diff --git a/database/Amm.dat b/database/Amm.dat index c71691248..17d8d243c 100644 --- a/database/Amm.dat +++ b/database/Amm.dat @@ -213,7 +213,7 @@ H2O = OH- + H+ -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 -gamma 3.5 0 -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 - -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH + -viscosity -2.26e-2 0.106 2.184e-2 -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- -log_k -86.08 @@ -243,11 +243,13 @@ CO3-2 + 2 H+ = CO2 + H2O -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18 -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T -log_k -1.8 -analytical_expression 8.68 -0.0103 -2190 -Vm 14.58 1.84 4.14 -2.46 -3.2 + -viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36 -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O -log_k 41.071 @@ -446,8 +448,8 @@ Mg+2 + F- = MgF+ -delta_h 3.2 kcal -gamma 4.5 0 -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt -Na+ + OH- = NaOH - -log_k -10 # remove this complex +# Na+ + OH- = NaOH + # -log_k -14.7 # remove this complex Na+ + HCO3- = NaHCO3 -log_k -0.06; -delta_h 21 kJ -gamma 0 0.2 @@ -1938,15 +1940,15 @@ END # For details, consult ref. 1. # ============================================================================================= # The viscosity is calculated with a (modified) Jones-Dole equation: -# viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i) +# viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i) # Parameters are for calculating the B and D terms: # -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0 # # b0 b1 b2 d1 d2 d3 tan # z_i is absolute charge number, m_i is molality of i # B_i = b0 + b1 exp(-b2 * tc) # fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions -# D_i = d1 + exp(-d2 tc) -# n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term. +# D_i = d1 * exp(-d2 tc) +# n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 · m_i)^d3) / (2 + fI), fI is an ionic strength term. # For details, consult ref. 4. # # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. diff --git a/database/phreeqc.dat b/database/phreeqc.dat index 04fe478e9..9d281f84b 100644 --- a/database/phreeqc.dat +++ b/database/phreeqc.dat @@ -213,7 +213,7 @@ H2O = OH- + H+ -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 -gamma 3.5 0 -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 - -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH + -viscosity -2.26e-2 0.106 2.184e-2 -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- -log_k -86.08 @@ -243,11 +243,13 @@ CO3-2 + 2 H+ = CO2 + H2O -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18 -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T -log_k -1.8 -analytical_expression 8.68 -0.0103 -2190 -Vm 14.58 1.84 4.14 -2.46 -3.2 + -viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36 -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O -log_k 41.071 @@ -446,8 +448,8 @@ Mg+2 + F- = MgF+ -delta_h 3.2 kcal -gamma 4.5 0 -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt -Na+ + OH- = NaOH - -log_k -10 # remove this complex +# Na+ + OH- = NaOH + # -log_k -14.7 # remove this complex Na+ + HCO3- = NaHCO3 -log_k -0.06; -delta_h 21 kJ -gamma 0 0.2 @@ -1938,15 +1940,15 @@ END # For details, consult ref. 1. # ============================================================================================= # The viscosity is calculated with a (modified) Jones-Dole equation: -# viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i) +# viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i) # Parameters are for calculating the B and D terms: # -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0 # # b0 b1 b2 d1 d2 d3 tan # z_i is absolute charge number, m_i is molality of i # B_i = b0 + b1 exp(-b2 * tc) # fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions -# D_i = d1 + exp(-d2 tc) -# n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term. +# D_i = d1 * exp(-d2 tc) +# n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 · m_i)^d3) / (2 + fI), fI is an ionic strength term. # For details, consult ref. 4. # # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat index 50a5e0d42..bd1eb6782 100644 --- a/database/phreeqc_rates.dat +++ b/database/phreeqc_rates.dat @@ -213,7 +213,7 @@ H2O = OH- + H+ -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 -gamma 3.5 0 -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 - -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH + -viscosity -2.26e-2 0.106 2.184e-2 -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- -log_k -86.08 @@ -243,11 +243,13 @@ CO3-2 + 2 H+ = CO2 + H2O -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18 -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T -log_k -1.8 -analytical_expression 8.68 -0.0103 -2190 -Vm 14.58 1.84 4.14 -2.46 -3.2 + -viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36 -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O -log_k 41.071 @@ -446,8 +448,8 @@ Mg+2 + F- = MgF+ -delta_h 3.2 kcal -gamma 4.5 0 -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt -Na+ + OH- = NaOH - -log_k -10 # remove this complex +# Na+ + OH- = NaOH + # -log_k -14.7 # remove this complex Na+ + HCO3- = NaHCO3 -log_k -0.06; -delta_h 21 kJ -gamma 0 0.2 @@ -3128,15 +3130,15 @@ Wollastonite -6.97 700 56 0.4 0 0 # For details, consult ref. 1. # ============================================================================================= # The viscosity is calculated with a (modified) Jones-Dole equation: -# viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i) +# viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i) # Parameters are for calculating the B and D terms: # -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0 # # b0 b1 b2 d1 d2 d3 tan # z_i is absolute charge number, m_i is molality of i # B_i = b0 + b1 exp(-b2 * tc) # fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions -# D_i = d1 + exp(-d2 tc) -# n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term. +# D_i = d1 * exp(-d2 tc) +# n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 · m_i)^d3) / (2 + fI), fI is an ionic strength term. # For details, consult ref. 4. # # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. diff --git a/database/pitzer.dat b/database/pitzer.dat index 0f7579f9f..ba90d9e96 100644 --- a/database/pitzer.dat +++ b/database/pitzer.dat @@ -132,7 +132,7 @@ H2Sg = H2Sg # H2S H2O = OH- + H+ -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 - -viscosity -5.45e-2 0.142 1.45e-2 -3e-5 0 3.231 -1.791 # < 5 M Li,Na,KOH + -viscosity -2.26e-2 0.106 2.184e-2 -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH -dw 5.27e-9 491 1.851 0 0.3256 CO3-2 + H+ = HCO3- log_k 10.3393; delta_h -3.561 kcal @@ -145,6 +145,7 @@ CO3-2 + 2 H+ = CO2 + H2O delta_h -5.738 kcal -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -viscosity 1.15e-2 9.82e-2 3.59e-2 0 0 0 0.266 -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 SO4-2 + H+ = HSO4- -log_k 1.988; -delta_h 3.85 kcal @@ -1011,15 +1012,15 @@ END # For details, consult ref. 1. # ============================================================================================= # The viscosity is calculated with a (modified) Jones-Dole equation: -# viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i) +# viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i) # Parameters are for calculating the B and D terms: # -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0 -# # b0 b1 b2 d1 d2 d3 tan +# # b0 b1 b2 d1 d2 d3 tan # z_i is absolute charge number, m_i is molality of i # B_i = b0 + b1 exp(-b2 * tc) # fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions -# D_i = d1 + exp(-d2 tc) -# n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term. +# D_i = d1 * exp(-d2 tc) +# n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 · m_i)^d3) / (2 + fI), fI is an ionic strength term. # For details, consult ref. 5. # # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. diff --git a/examples/ex1.out b/examples/ex1.out index 1e5dee3ba..62b2a3264 100644 --- a/examples/ex1.out +++ b/examples/ex1.out @@ -124,7 +124,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979) Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -248,7 +248,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 4.381e-04 O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40 S(6) 2.926e-02 diff --git a/examples/ex10.out b/examples/ex10.out index a4bf78c6e..3a5e71311 100644 --- a/examples/ex10.out +++ b/examples/ex10.out @@ -123,7 +123,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 701 Density (g/cm³) = 0.99755 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89435 + Viscosity (mPa s) = 0.89463 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.134e-02 Mass of water (kg) = 1.000e+00 @@ -206,10 +206,10 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02 pH = 6.058 Charge balance pe = 11.902 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1708 + Specific Conductance (µS/cm, 25°C) = 1684 Density (g/cm³) = 0.99860 Volume (L) = 1.00434 - Viscosity (mPa s) = 0.89962 + Viscosity (mPa s) = 0.92188 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.900e-02 Mass of water (kg) = 9.999e-01 diff --git a/examples/ex11.out b/examples/ex11.out index c9b25c64c..47df60a7c 100644 --- a/examples/ex11.out +++ b/examples/ex11.out @@ -126,7 +126,7 @@ Initial solution 1. Initial solution for column Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -9.088e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -150,7 +150,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 diff --git a/examples/ex11trn.sel b/examples/ex11trn.sel index c1c2d809e..79b36acc7 100644 --- a/examples/ex11trn.sel +++ b/examples/ex11trn.sel @@ -57,27 +57,27 @@ 55 8.344533301406e-04 1.131625845338e-03 3.655466698441e-04 0.000000000000e+00 1.387500000000e+00 56 7.847919650475e-04 1.142020362045e-03 4.152080349369e-04 0.000000000000e+00 1.412500000000e+00 57 7.284538372959e-04 1.150973656035e-03 4.715461626881e-04 3.531139650212e-28 1.437500000000e+00 - 58 6.674661295231e-04 1.158656441394e-03 5.325338704605e-04 4.216133178351e-26 1.462500000000e+00 + 58 6.674661295231e-04 1.158656441394e-03 5.325338704605e-04 4.216133178352e-26 1.462500000000e+00 59 6.042301758578e-04 1.165225432017e-03 5.957698241254e-04 2.112623929847e-24 1.487500000000e+00 - 60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241146e-23 1.512500000000e+00 + 60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241147e-23 1.512500000000e+00 61 4.799177066706e-04 1.175577598779e-03 7.200822933118e-04 3.514353871101e-21 1.537500000000e+00 - 62 4.221746364521e-04 1.179603706071e-03 7.778253635299e-04 1.207213754641e-19 1.562500000000e+00 - 63 3.687296865690e-04 1.183003078326e-03 8.312703134126e-04 3.694071268300e-18 1.587500000000e+00 - 64 3.200378094467e-04 1.185865350144e-03 8.799621905343e-04 1.035721724513e-16 1.612500000000e+00 - 65 2.762284431584e-04 1.188269047043e-03 9.237715568171e-04 2.657316487699e-15 1.637500000000e+00 - 66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678983e-14 1.662500000000e+00 + 62 4.221746364521e-04 1.179603706071e-03 7.778253635299e-04 1.207213754642e-19 1.562500000000e+00 + 63 3.687296865690e-04 1.183003078326e-03 8.312703134126e-04 3.694071268301e-18 1.587500000000e+00 + 64 3.200378094467e-04 1.185865350144e-03 8.799621905343e-04 1.035721724514e-16 1.612500000000e+00 + 65 2.762284431584e-04 1.188269047043e-03 9.237715568171e-04 2.657316487700e-15 1.637500000000e+00 + 66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678986e-14 1.662500000000e+00 67 2.026802660677e-04 1.191965263410e-03 9.973197311041e-04 1.404108206640e-12 1.687500000000e+00 - 68 1.723175379753e-04 1.193368249524e-03 1.027682402586e-03 2.970943178733e-11 1.712500000000e+00 - 69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832664e-10 1.737500000000e+00 - 70 1.223834694923e-04 1.195504582884e-03 1.077593516927e-03 1.150677988345e-08 1.762500000000e+00 - 71 1.019262303182e-04 1.196307568531e-03 1.097657241059e-03 2.082643005567e-07 1.787500000000e+00 - 72 8.381480436917e-05 1.196971656899e-03 1.109525476375e-03 3.329859617447e-06 1.812500000000e+00 - 73 6.668225222783e-05 1.197519877322e-03 1.024937206784e-03 5.419027048444e-05 1.837500000000e+00 + 68 1.723175379753e-04 1.193368249524e-03 1.027682402586e-03 2.970943178734e-11 1.712500000000e+00 + 69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832667e-10 1.737500000000e+00 + 70 1.223834694923e-04 1.195504582884e-03 1.077593516927e-03 1.150677988346e-08 1.762500000000e+00 + 71 1.019262303182e-04 1.196307568531e-03 1.097657241059e-03 2.082643005568e-07 1.787500000000e+00 + 72 8.381480436917e-05 1.196971656899e-03 1.109525476375e-03 3.329859617448e-06 1.812500000000e+00 + 73 6.668225222783e-05 1.197519877322e-03 1.024937206784e-03 5.419027048446e-05 1.837500000000e+00 74 5.053198367604e-05 1.197971659937e-03 7.350507107061e-04 2.072086528030e-04 1.862500000000e+00 - 75 3.879701357395e-05 1.198343349753e-03 5.356918142768e-04 3.127555860708e-04 1.887500000000e+00 + 75 3.879701357395e-05 1.198343349753e-03 5.356918142767e-04 3.127555860708e-04 1.887500000000e+00 76 3.007678322722e-05 1.198648658204e-03 4.021188008094e-04 3.839022079790e-04 1.912500000000e+00 - 77 2.344463549483e-05 1.198899057198e-03 3.068522371412e-04 4.348515636801e-04 1.937500000000e+00 - 78 1.834047972307e-05 1.199104120993e-03 2.366187847945e-04 4.725203677398e-04 1.962500000000e+00 + 77 2.344463549483e-05 1.198899057198e-03 3.068522371411e-04 4.348515636801e-04 1.937500000000e+00 + 78 1.834047972307e-05 1.199104120993e-03 2.366187847944e-04 4.725203677398e-04 1.962500000000e+00 79 1.438416333582e-05 1.199271821253e-03 1.838015689086e-04 5.009071338768e-04 1.987500000000e+00 80 1.130287552755e-05 1.199408780437e-03 1.435541337153e-04 5.225714953778e-04 2.012500000000e+00 81 8.894854154099e-06 1.199520488471e-03 1.125953626079e-04 5.392548916185e-04 2.037500000000e+00 @@ -86,13 +86,13 @@ 84 4.362237388672e-06 1.199745698858e-03 5.532050326743e-05 5.701586296717e-04 2.112500000000e+00 85 3.445231625616e-06 1.199794545990e-03 4.384740222256e-05 5.763536830758e-04 2.137500000000e+00 86 2.722483623513e-06 1.199834157394e-03 3.481279241283e-05 5.812323619826e-04 2.162500000000e+00 - 87 2.152343734153e-06 1.199866246232e-03 2.768046312193e-05 5.850835965725e-04 2.187500000000e+00 + 87 2.152343734153e-06 1.199866246232e-03 2.768046312192e-05 5.850835965725e-04 2.187500000000e+00 88 1.702259902002e-06 1.199892215323e-03 2.203774543638e-05 5.881299973317e-04 2.212500000000e+00 89 1.346733078607e-06 1.199913211686e-03 1.756522033724e-05 5.905440232928e-04 2.237500000000e+00 90 1.065752199293e-06 1.199930171882e-03 1.401446577327e-05 5.924598910143e-04 2.262500000000e+00 91 8.435890597776e-07 1.199943859609e-03 1.119149963194e-05 5.939824556550e-04 2.287500000000e+00 - 92 6.678659094764e-07 1.199954896813e-03 8.944331673377e-06 5.951939012093e-04 2.312500000000e+00 - 93 5.288312745990e-07 1.199963789378e-03 7.153523668295e-06 5.961588225292e-04 2.337500000000e+00 + 92 6.678659094763e-07 1.199954896813e-03 8.944331673377e-06 5.951939012093e-04 2.312500000000e+00 + 93 5.288312745990e-07 1.199963789378e-03 7.153523668294e-06 5.961588225292e-04 2.337500000000e+00 94 4.187957414427e-07 1.199970948301e-03 5.724978921457e-06 5.969281126691e-04 2.362500000000e+00 95 3.316912256408e-07 1.199976707113e-03 4.584400974714e-06 5.975419539002e-04 2.387500000000e+00 96 2.627259549757e-07 1.199981336185e-03 3.673012861562e-06 5.980321305921e-04 2.412500000000e+00 diff --git a/examples/ex12.sel b/examples/ex12.sel index 5bafa0966..d549d47fa 100644 --- a/examples/ex12.sel +++ b/examples/ex12.sel @@ -75,7 +75,7 @@ 2.83333 1.078314727713e+00 1.077198297073e+00 2.292280169464e+01 5.933476222844e+00 3.16666 6.047305557783e-01 6.039382767914e-01 2.339606171644e+01 4.701379781820e+00 3.5 3.237709470080e-01 3.232490525632e-01 2.367675094204e+01 3.667800399953e+00 - 3.83333 1.655104664086e-01 1.651896628001e-01 2.383481033299e+01 2.816701882844e+00 + 3.83333 1.655104664086e-01 1.651896628002e-01 2.383481033299e+01 2.816701882844e+00 4.16666 8.080257204240e-02 8.061777229753e-02 2.391938222449e+01 2.128773573946e+00 4.5 3.768568646672e-02 3.758557520676e-02 2.396241442239e+01 1.582986272153e+00 4.83333 1.679767756894e-02 1.674652868459e-02 2.398325346955e+01 1.157966472262e+00 @@ -107,7 +107,7 @@ 13.5 1.456506511045e-03 1.450373187822e-03 2.399854962640e+01 2.689568433456e-01 13.8333 3.570772369452e-03 3.557230846966e-03 2.399644276858e+01 3.761696764504e-01 14.1667 8.372702446682e-03 8.344318209114e-03 2.399165568100e+01 5.167554989993e-01 - 14.5 1.876668623423e-02 1.871028306261e-02 2.398128971588e+01 6.972801618698e-01 + 14.5 1.876668623423e-02 1.871028306262e-02 2.398128971588e+01 6.972801618698e-01 14.8333 4.018855158439e-02 4.008246069532e-02 2.395991753791e+01 9.242091443386e-01 15.1667 8.218587185627e-02 8.199729506180e-02 2.391800270313e+01 1.203352315083e+00 15.5 1.604262488969e-01 1.601100284715e-01 2.383988996925e+01 1.539191520808e+00 diff --git a/examples/ex12a.sel b/examples/ex12a.sel index ed20e23d6..caa7d6cc1 100644 --- a/examples/ex12a.sel +++ b/examples/ex12a.sel @@ -105,16 +105,16 @@ 0.5 1.732877230198e+01 1.732818349806e+01 6.671816494265e+00 2.011806700218e+01 9.000885944563e-08 3.998622946029e-05 0.833333 1.328083118787e+01 1.327977600374e+01 1.072022398538e+01 1.760855984595e+01 1.16667 9.764783869793e+00 9.763295612551e+00 1.423670437487e+01 1.521226338238e+01 - 1.5 6.876979954453e+00 6.875203671273e+00 1.712479631572e+01 1.296594983169e+01 1.040652470946e-06 5.706265744742e-05 + 1.5 6.876979954453e+00 6.875203671273e+00 1.712479631572e+01 1.296594983169e+01 1.040652470925e-06 5.706265744742e-05 1.83333 4.633445178532e+00 4.631592230628e+00 1.936840775690e+01 1.089878644681e+01 2.16667 2.983957613764e+00 2.982233846716e+00 2.101776614197e+01 9.031332911150e+00 - 2.5 1.835670035272e+00 1.834219344984e+00 2.216578064517e+01 7.375218041922e+00 3.202792299459e-06 1.617537638526e-05 + 2.5 1.835670035272e+00 1.834219344984e+00 2.216578064517e+01 7.375218041922e+00 3.202792299443e-06 1.617537638526e-05 2.83333 1.078309641703e+00 1.077193213980e+00 2.292280677773e+01 5.933464823767e+00 3.16667 6.047271172834e-01 6.039348411906e-01 2.339606515204e+01 4.701369003156e+00 - 3.5 3.237687663205e-01 3.232468743679e-01 2.367675312023e+01 3.667790507028e+00 5.217031892205e-06 -3.366526094913e-06 + 3.5 3.237687663205e-01 3.232468743679e-01 2.367675312023e+01 3.667790507028e+00 5.217031892201e-06 -3.366526094913e-06 3.83333 1.655091653734e-01 1.651883636811e-01 2.383481163211e+01 2.816693051604e+00 4.16667 8.080184009388e-02 8.061704168687e-02 2.391938295510e+01 2.128765894911e+00 - 4.5 3.768529738011e-02 3.758518697824e-02 2.396241481061e+01 1.582979760724e+00 5.639342372489e-06 -2.476867168243e-06 + 4.5 3.768529738011e-02 3.758518697824e-02 2.396241481061e+01 1.582979760724e+00 5.639342372485e-06 -2.476867168242e-06 4.83333 1.679748179371e-02 1.674633341902e-02 2.398325366481e+01 1.157961083143e+00 5.16667 7.158658672534e-03 7.133952391643e-03 2.399286604633e+01 8.331082803354e-01 5.5 2.918406916536e-03 2.907101078212e-03 2.399709289802e+01 5.894142528789e-01 4.455972089510e-06 -4.912290758279e-07 @@ -123,10 +123,10 @@ 6.5 1.523110828883e-04 1.515144739607e-04 2.399984848524e+01 1.884278508358e-01 2.697942283073e-06 -4.814123673546e-08 6.83333 5.227158933236e-05 5.197321123247e-05 2.399994802660e+01 1.244614394110e-01 7.16667 1.720693831522e-05 1.710029263504e-05 2.399998289958e+01 8.078687428981e-02 - 7.5 5.436060934909e-06 5.399649415897e-06 2.399999460027e+01 5.153218579103e-02 1.262649985251e-06 -2.664487783140e-09 + 7.5 5.436060934909e-06 5.399649415897e-06 2.399999460027e+01 5.153218579103e-02 1.262649985252e-06 -2.664487783140e-09 7.83333 1.649088195275e-06 1.637200882995e-06 2.399999836275e+01 3.231618817631e-02 8.16667 4.806358157844e-07 4.769214798034e-07 2.399999952305e+01 1.995341519604e-02 - 8.5 1.346685590700e-07 1.335566766312e-07 2.399999986642e+01 1.218943044882e-02 2.986653145795e-07 -8.898265268245e-11 + 8.5 1.346685590700e-07 1.335566766312e-07 2.399999986642e+01 1.218943044882e-02 2.986653145795e-07 -8.898265268244e-11 8.83333 3.634651793240e-08 3.602679113544e-08 2.399999996396e+01 7.477181955864e-03 9.16667 9.688299803978e-09 9.597461159243e-09 2.399999999040e+01 4.798414843917e-03 9.5 3.521245209155e-09 3.486098607350e-09 2.399999999651e+01 3.529705336616e-03 diff --git a/examples/ex13a.out b/examples/ex13a.out index 566b957b3..b4c072b21 100644 --- a/examples/ex13a.out +++ b/examples/ex13a.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/examples/ex13ac.out b/examples/ex13ac.out index 6d99ba6b9..a83605a01 100644 --- a/examples/ex13ac.out +++ b/examples/ex13ac.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/examples/ex13b.out b/examples/ex13b.out index 83257bbb8..d91b1ae38 100644 --- a/examples/ex13b.out +++ b/examples/ex13b.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/examples/ex13c.out b/examples/ex13c.out index 5102e6e43..815ca21b6 100644 --- a/examples/ex13c.out +++ b/examples/ex13c.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/examples/ex14.out b/examples/ex14.out index 71a465f42..fc3343abf 100644 --- a/examples/ex14.out +++ b/examples/ex14.out @@ -88,10 +88,10 @@ Initial solution 1. Brine pH = 5.713 pe = 14.962 Equilibrium with O2(g) - Specific Conductance (µS/cm, 25°C) = 243000 + Specific Conductance (µS/cm, 25°C) = 242995 Density (g/cm³) = 1.21629 Volume (L) = 1.13700 - Viscosity (mPa s) = 1.95441 + Viscosity (mPa s) = 1.95446 Activity of water = 0.785 Ionic strength (mol/kgw) = 7.270e+00 Mass of water (kg) = 1.000e+00 @@ -152,7 +152,6 @@ Na 5.402e+00 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73 - NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0) O(0) 9.585e-05 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 S(-2) 0.000e+00 @@ -249,10 +248,10 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03 pH = 5.720 Charge balance pe = 14.955 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 242937 + Specific Conductance (µS/cm, 25°C) = 242932 Density (g/cm³) = 1.21626 Volume (L) = 1.13699 - Viscosity (mPa s) = 1.95490 + Viscosity (mPa s) = 1.95495 Activity of water = 0.785 Ionic strength (mol/kgw) = 7.270e+00 Mass of water (kg) = 1.000e+00 @@ -313,7 +312,6 @@ Na 5.402e+00 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73 - NaOH 8.380e-19 4.469e-18 -18.077 -17.350 0.727 (0) O(0) 9.585e-05 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 S(-2) 0.000e+00 @@ -467,7 +465,7 @@ Initial solution 0. 20 x precipitation Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99708 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89050 + Viscosity (mPa s) = 0.89051 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.036e-03 Mass of water (kg) = 1.000e+00 @@ -523,7 +521,6 @@ Na 1.227e-04 Na+ 1.223e-04 1.179e-04 -3.913 -3.928 -0.016 -1.48 NaSO4- 3.912e-07 3.775e-07 -6.408 -6.423 -0.016 -20.88 NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73 - NaOH 4.751e-24 4.753e-24 -23.323 -23.323 0.000 (0) O(0) 5.111e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 S(-2) 0.000e+00 @@ -599,10 +596,10 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.375e-03 pH = 7.047 Charge balance pe = 13.576 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 603 + Specific Conductance (µS/cm, 25°C) = 602 Density (g/cm³) = 0.99746 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89401 + Viscosity (mPa s) = 0.89550 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.649e-03 Mass of water (kg) = 9.999e-01 @@ -658,7 +655,6 @@ Na 1.227e-04 Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73 NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 - NaOH 1.240e-21 1.243e-21 -20.907 -20.906 0.001 (0) O(0) 5.111e-04 O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40 S(-2) 0.000e+00 @@ -1002,7 +998,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 602 Density (g/cm³) = 0.99746 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89401 + Viscosity (mPa s) = 0.89550 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.645e-03 Mass of water (kg) = 9.999e-01 @@ -1063,7 +1059,6 @@ Na 1.227e-04 Na+ 1.220e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73 NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 - NaOH 1.239e-21 1.242e-21 -20.907 -20.906 0.001 (0) O(0) 5.111e-04 O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40 S(-2) 0.000e+00 diff --git a/examples/ex16.out b/examples/ex16.out index b6bac07bc..996b5b976 100644 --- a/examples/ex16.out +++ b/examples/ex16.out @@ -82,7 +82,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 38 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89038 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.855e-04 Mass of water (kg) = 1.000e+00 @@ -141,7 +141,6 @@ Na 1.340e-04 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 - NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40 S(6) 1.000e-05 @@ -212,7 +211,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 97 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 @@ -271,7 +270,6 @@ Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 - NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40 S(6) 2.500e-05 diff --git a/examples/ex17b.out b/examples/ex17b.out index 1d5ea13f8..f00646275 100644 --- a/examples/ex17b.out +++ b/examples/ex17b.out @@ -2482,7 +2482,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00 pH = 7.377 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 181678 + Specific Conductance (µS/cm, 25°C) = 181677 Density (g/cm³) = 1.23961 Volume (L) = 0.01574 Viscosity (mPa s) = 2.84317 @@ -2641,7 +2641,7 @@ Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00 pH = 7.379 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 176353 + Specific Conductance (µS/cm, 25°C) = 176352 Density (g/cm³) = 1.24332 Volume (L) = 0.01472 Viscosity (mPa s) = 2.98015 diff --git a/examples/ex18.out b/examples/ex18.out index dc9986e51..f1a3a1fd1 100644 --- a/examples/ex18.out +++ b/examples/ex18.out @@ -121,7 +121,7 @@ Initial solution 1. Recharge number 3 Specific Conductance (µS/cm, 10°C) = 278 Density (g/cm³) = 0.99999 Volume (L) = 1.00035 - Viscosity (mPa s) = 1.31358 + Viscosity (mPa s) = 1.31409 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.588e-03 Mass of water (kg) = 1.000e+00 @@ -193,7 +193,6 @@ Na 2.000e-05 Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42 NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86 NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96 - NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94 S(6) 1.600e-04 @@ -256,10 +255,10 @@ Initial solution 2. Mysse pH = 6.610 pe = 0.000 - Specific Conductance (µS/cm, 63°C) = 10507 + Specific Conductance (µS/cm, 63°C) = 10505 Density (g/cm³) = 0.98520 Volume (L) = 1.01942 - Viscosity (mPa s) = 0.45606 + Viscosity (mPa s) = 0.45631 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.101e-02 Mass of water (kg) = 1.000e+00 @@ -339,7 +338,6 @@ Na 3.189e-02 Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09 NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67 NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20 - NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51 S(-2) 2.600e-04 diff --git a/examples/ex21.out b/examples/ex21.out index 339f19afc..e4d8058a7 100644 --- a/examples/ex21.out +++ b/examples/ex21.out @@ -139,7 +139,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -502,7 +501,6 @@ Na 2.400e-01 Na+ 2.347e-01 1.701e-01 -0.629 -0.769 -0.140 -0.85 NaSO4- 5.251e-03 3.746e-03 -2.280 -2.426 -0.147 2.97 NaHCO3 3.292e-05 3.892e-05 -4.483 -4.410 0.073 31.75 - NaOH 5.351e-18 5.818e-18 -17.272 -17.235 0.036 (0) O(0) 2.438e-04 O2 1.219e-04 1.325e-04 -3.914 -3.878 0.036 30.24 S(6) 1.410e-02 diff --git a/examples/ex22.out b/examples/ex22.out index baa2a4073..c57ca3a5d 100644 --- a/examples/ex22.out +++ b/examples/ex22.out @@ -245,10 +245,10 @@ H2O(g) -1.45 3.586e-02 0.878 1.285e-03 1.587e-03 3.014e-04 pH = 3.368 Charge balance pe = 14.672 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 165 + Specific Conductance (µS/cm, 25°C) = 155 Density (g/cm³) = 1.00156 Volume (L) = 1.01670 - Viscosity (mPa s) = 0.89006 + Viscosity (mPa s) = 0.91920 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.384e-04 Mass of water (kg) = 1.000e+00 @@ -339,10 +339,10 @@ H2O(g) -1.38 4.125e-02 0.766 1.587e-03 1.998e-03 4.108e-04 pH = 3.241 Charge balance pe = 14.793 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 218 + Specific Conductance (µS/cm, 25°C) = 193 Density (g/cm³) = 1.00523 Volume (L) = 1.02762 - Viscosity (mPa s) = 0.88995 + Viscosity (mPa s) = 0.94202 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.901e-04 Mass of water (kg) = 1.000e+00 @@ -433,10 +433,10 @@ H2O(g) -1.32 4.764e-02 0.666 1.998e-03 2.555e-03 5.569e-04 pH = 3.178 Charge balance pe = 14.865 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 248 + Specific Conductance (µS/cm, 25°C) = 212 Density (g/cm³) = 1.00802 Volume (L) = 1.03574 - Viscosity (mPa s) = 0.88983 + Viscosity (mPa s) = 0.95902 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.833e-04 Mass of water (kg) = 9.999e-01 @@ -527,10 +527,10 @@ H2O(g) -1.26 5.498e-02 0.580 2.555e-03 3.300e-03 7.455e-04 pH = 3.142 Charge balance pe = 14.877 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 267 + Specific Conductance (µS/cm, 25°C) = 222 Density (g/cm³) = 1.01002 Volume (L) = 1.04130 - Viscosity (mPa s) = 0.88973 + Viscosity (mPa s) = 0.97075 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.422e-04 Mass of water (kg) = 9.999e-01 @@ -621,10 +621,10 @@ H2O(g) -1.20 6.307e-02 0.507 3.300e-03 4.278e-03 9.775e-04 pH = 3.122 Charge balance pe = 14.890 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 278 + Specific Conductance (µS/cm, 25°C) = 228 Density (g/cm³) = 1.01134 Volume (L) = 1.04476 - Viscosity (mPa s) = 0.88965 + Viscosity (mPa s) = 0.97819 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.783e-04 Mass of water (kg) = 9.999e-01 @@ -715,10 +715,10 @@ H2O(g) -1.15 7.157e-02 0.448 4.278e-03 5.528e-03 1.251e-03 pH = 3.111 Charge balance pe = 14.943 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 284 + Specific Conductance (µS/cm, 25°C) = 231 Density (g/cm³) = 1.01215 Volume (L) = 1.04668 - Viscosity (mPa s) = 0.88959 + Viscosity (mPa s) = 0.98243 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.989e-04 Mass of water (kg) = 9.999e-01 @@ -809,10 +809,10 @@ H2O(g) -1.10 8.014e-02 0.401 5.528e-03 7.089e-03 1.561e-03 pH = 3.105 Charge balance pe = 14.977 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 287 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01257 Volume (L) = 1.04759 - Viscosity (mPa s) = 0.88955 + Viscosity (mPa s) = 0.98452 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.092e-04 Mass of water (kg) = 9.999e-01 @@ -903,10 +903,10 @@ H2O(g) -1.05 8.845e-02 0.364 7.089e-03 8.995e-03 1.905e-03 pH = 3.103 Charge balance pe = 14.980 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01273 Volume (L) = 1.04788 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98529 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.131e-04 Mass of water (kg) = 9.998e-01 @@ -997,10 +997,10 @@ H2O(g) -1.02 9.646e-02 0.334 8.995e-03 1.127e-02 2.272e-03 pH = 3.103 Charge balance pe = 14.928 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01275 Volume (L) = 1.04787 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98535 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.134e-04 Mass of water (kg) = 9.998e-01 @@ -1091,10 +1091,10 @@ H2O(g) -0.98 1.051e-01 0.306 1.127e-02 1.389e-02 2.628e-03 pH = 3.103 Charge balance pe = 14.901 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01275 Volume (L) = 1.04780 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98532 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.133e-04 Mass of water (kg) = 9.997e-01 @@ -1185,10 +1185,10 @@ H2O(g) -0.94 1.145e-01 0.281 1.389e-02 1.691e-02 3.018e-03 pH = 3.103 Charge balance pe = 14.638 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01273 Volume (L) = 1.04770 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98522 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.129e-04 Mass of water (kg) = 9.997e-01 @@ -1279,10 +1279,10 @@ H2O(g) -0.90 1.248e-01 0.258 1.691e-02 2.036e-02 3.449e-03 pH = 3.104 Charge balance pe = 2.312 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01271 Volume (L) = 1.04756 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98509 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.123e-04 Mass of water (kg) = 9.996e-01 @@ -1373,10 +1373,10 @@ H2O(g) -0.87 1.359e-01 0.237 2.036e-02 2.428e-02 3.919e-03 pH = 3.104 Charge balance pe = 14.806 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01269 Volume (L) = 1.04741 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98492 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.116e-04 Mass of water (kg) = 9.995e-01 @@ -1467,10 +1467,10 @@ H2O(g) -0.83 1.479e-01 0.218 2.428e-02 2.871e-02 4.427e-03 pH = 3.104 Charge balance pe = 14.718 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01267 Volume (L) = 1.04724 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98477 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.110e-04 Mass of water (kg) = 9.995e-01 @@ -1561,10 +1561,10 @@ H2O(g) -0.79 1.606e-01 0.200 2.871e-02 3.368e-02 4.970e-03 pH = 3.105 Charge balance pe = 14.909 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01265 Volume (L) = 1.04709 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98465 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.105e-04 Mass of water (kg) = 9.994e-01 @@ -1655,10 +1655,10 @@ H2O(g) -0.76 1.742e-01 0.185 3.368e-02 3.922e-02 5.546e-03 pH = 3.105 Charge balance pe = 14.952 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01265 Volume (L) = 1.04696 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98459 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.102e-04 Mass of water (kg) = 9.993e-01 @@ -1749,10 +1749,10 @@ H2O(g) -0.69 2.026e-01 0.159 3.922e-02 4.502e-02 5.801e-03 pH = 3.102 Charge balance pe = 14.961 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 290 + Specific Conductance (µS/cm, 25°C) = 234 Density (g/cm³) = 1.01297 Volume (L) = 1.04694 - Viscosity (mPa s) = 0.88947 + Viscosity (mPa s) = 0.98520 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.154e-04 Mass of water (kg) = 9.992e-01 @@ -1843,10 +1843,10 @@ H2O(g) -0.61 2.464e-01 0.132 4.502e-02 5.114e-02 6.118e-03 pH = 3.097 Charge balance pe = 14.914 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 293 + Specific Conductance (µS/cm, 25°C) = 236 Density (g/cm³) = 1.01354 Volume (L) = 1.04694 - Viscosity (mPa s) = 0.88936 + Viscosity (mPa s) = 0.98618 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.244e-04 Mass of water (kg) = 9.991e-01 @@ -1937,10 +1937,10 @@ H2O(g) -0.51 3.084e-01 0.107 5.114e-02 5.758e-02 6.433e-03 pH = 3.091 Charge balance pe = 14.977 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 297 + Specific Conductance (µS/cm, 25°C) = 239 Density (g/cm³) = 1.01434 Volume (L) = 1.04689 - Viscosity (mPa s) = 0.88921 + Viscosity (mPa s) = 0.98743 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.368e-04 Mass of water (kg) = 9.989e-01 @@ -2031,10 +2031,10 @@ H2O(g) -0.40 3.942e-01 0.085 5.758e-02 6.425e-02 6.677e-03 pH = 3.083 Charge balance pe = 14.941 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 303 + Specific Conductance (µS/cm, 25°C) = 243 Density (g/cm³) = 1.01543 Volume (L) = 1.04675 - Viscosity (mPa s) = 0.88900 + Viscosity (mPa s) = 0.98895 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.532e-04 Mass of water (kg) = 9.988e-01 @@ -2125,10 +2125,10 @@ H2O(g) -0.29 5.106e-01 0.066 6.425e-02 7.108e-02 6.829e-03 pH = 3.072 Charge balance pe = 14.978 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 311 + Specific Conductance (µS/cm, 25°C) = 248 Density (g/cm³) = 1.01684 Volume (L) = 1.04648 - Viscosity (mPa s) = 0.88875 + Viscosity (mPa s) = 0.99076 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.742e-04 Mass of water (kg) = 9.987e-01 @@ -2226,10 +2226,10 @@ H2O(g) -0.18 6.655e-01 0.052 7.108e-02 7.795e-02 6.869e-03 pH = 3.059 Charge balance pe = 15.552 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 320 + Specific Conductance (µS/cm, 25°C) = 254 Density (g/cm³) = 1.01866 Volume (L) = 1.04600 - Viscosity (mPa s) = 0.88844 + Viscosity (mPa s) = 0.99284 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.010e-04 Mass of water (kg) = 9.986e-01 @@ -2327,10 +2327,10 @@ H2O(g) -0.06 8.678e-01 0.041 7.795e-02 8.472e-02 6.772e-03 pH = 3.044 Charge balance pe = 16.115 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 333 + Specific Conductance (µS/cm, 25°C) = 263 Density (g/cm³) = 1.02093 Volume (L) = 1.04525 - Viscosity (mPa s) = 0.88812 + Viscosity (mPa s) = 0.99523 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.345e-04 Mass of water (kg) = 9.985e-01 @@ -2428,10 +2428,10 @@ H2O(g) 0.05 1.127e+00 0.033 8.472e-02 9.124e-02 6.514e-03 pH = 3.025 Charge balance pe = 16.133 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 349 + Specific Conductance (µS/cm, 25°C) = 273 Density (g/cm³) = 1.02376 Volume (L) = 1.04415 - Viscosity (mPa s) = 0.88780 + Viscosity (mPa s) = 0.99796 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.763e-04 Mass of water (kg) = 9.983e-01 @@ -2529,10 +2529,10 @@ H2O(g) 0.16 1.455e+00 0.027 9.124e-02 9.730e-02 6.064e-03 pH = 3.003 Charge balance pe = 16.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 368 + Specific Conductance (µS/cm, 25°C) = 287 Density (g/cm³) = 1.02723 Volume (L) = 1.04258 - Viscosity (mPa s) = 0.88755 + Viscosity (mPa s) = 1.00108 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.028e-03 Mass of water (kg) = 9.982e-01 @@ -2630,10 +2630,10 @@ H2O(g) 0.27 1.863e+00 0.023 9.730e-02 1.027e-01 5.386e-03 pH = 2.976 Charge balance pe = 16.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 393 + Specific Conductance (µS/cm, 25°C) = 304 Density (g/cm³) = 1.03147 Volume (L) = 1.04041 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00471 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.094e-03 Mass of water (kg) = 9.981e-01 @@ -2731,10 +2731,10 @@ H2O(g) 0.37 2.361e+00 0.019 1.027e-01 1.071e-01 4.442e-03 pH = 2.945 Charge balance pe = 16.206 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 425 + Specific Conductance (µS/cm, 25°C) = 326 Density (g/cm³) = 1.03663 Volume (L) = 1.03747 - Viscosity (mPa s) = 0.88783 + Viscosity (mPa s) = 1.00901 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.176e-03 Mass of water (kg) = 9.980e-01 @@ -2933,10 +2933,10 @@ H2O(g) -0.85 1.400e-01 0.872 4.591e-03 5.717e-03 1.126e-03 pH = 3.402 Charge balance pe = 12.495 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 205 + Specific Conductance (µS/cm, 50°C) = 200 Density (g/cm³) = 0.99137 Volume (L) = 1.02222 - Viscosity (mPa s) = 0.54698 + Viscosity (mPa s) = 0.55428 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.059e-04 Mass of water (kg) = 9.999e-01 @@ -3028,10 +3028,10 @@ H2O(g) -0.79 1.615e-01 0.761 5.717e-03 7.178e-03 1.461e-03 pH = 3.277 Charge balance pe = 2.454 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 270 + Specific Conductance (µS/cm, 50°C) = 258 Density (g/cm³) = 0.99409 Volume (L) = 1.03007 - Viscosity (mPa s) = 0.54734 + Viscosity (mPa s) = 0.56004 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.432e-04 Mass of water (kg) = 9.999e-01 @@ -3123,10 +3123,10 @@ H2O(g) -0.73 1.861e-01 0.665 7.178e-03 9.044e-03 1.866e-03 pH = 3.215 Charge balance pe = 2.643 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 308 + Specific Conductance (µS/cm, 50°C) = 290 Density (g/cm³) = 0.99620 Volume (L) = 1.03584 - Viscosity (mPa s) = 0.54765 + Viscosity (mPa s) = 0.56435 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.276e-04 Mass of water (kg) = 9.998e-01 @@ -3218,10 +3218,10 @@ H2O(g) -0.67 2.136e-01 0.583 9.044e-03 1.139e-02 2.342e-03 pH = 3.178 Charge balance pe = 12.681 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 333 + Specific Conductance (µS/cm, 50°C) = 310 Density (g/cm³) = 0.99780 Volume (L) = 1.03988 - Viscosity (mPa s) = 0.54791 + Viscosity (mPa s) = 0.56749 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.831e-04 Mass of water (kg) = 9.998e-01 @@ -3313,10 +3313,10 @@ H2O(g) -0.61 2.437e-01 0.514 1.139e-02 1.427e-02 2.881e-03 pH = 3.156 Charge balance pe = 12.723 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 349 + Specific Conductance (µS/cm, 50°C) = 322 Density (g/cm³) = 0.99898 Volume (L) = 1.04261 - Viscosity (mPa s) = 0.54813 + Viscosity (mPa s) = 0.56970 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.202e-04 Mass of water (kg) = 9.997e-01 @@ -3408,10 +3408,10 @@ H2O(g) -0.56 2.762e-01 0.456 1.427e-02 1.774e-02 3.477e-03 pH = 3.141 Charge balance pe = 12.654 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 359 + Specific Conductance (µS/cm, 50°C) = 331 Density (g/cm³) = 0.99985 Volume (L) = 1.04438 - Viscosity (mPa s) = 0.54831 + Viscosity (mPa s) = 0.57125 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.453e-04 Mass of water (kg) = 9.997e-01 @@ -3503,10 +3503,10 @@ H2O(g) -0.51 3.107e-01 0.407 1.774e-02 2.186e-02 4.119e-03 pH = 3.131 Charge balance pe = 2.402 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 367 + Specific Conductance (µS/cm, 50°C) = 336 Density (g/cm³) = 1.00049 Volume (L) = 1.04551 - Viscosity (mPa s) = 0.54846 + Viscosity (mPa s) = 0.57233 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.626e-04 Mass of water (kg) = 9.996e-01 @@ -3598,10 +3598,10 @@ H2O(g) -0.46 3.475e-01 0.365 2.186e-02 2.666e-02 4.799e-03 pH = 3.125 Charge balance pe = 12.650 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 372 + Specific Conductance (µS/cm, 50°C) = 340 Density (g/cm³) = 1.00098 Volume (L) = 1.04621 - Viscosity (mPa s) = 0.54858 + Viscosity (mPa s) = 0.57310 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.747e-04 Mass of water (kg) = 9.995e-01 @@ -3693,10 +3693,10 @@ H2O(g) -0.41 3.869e-01 0.329 2.666e-02 3.217e-02 5.510e-03 pH = 3.120 Charge balance pe = 12.901 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 376 + Specific Conductance (µS/cm, 50°C) = 343 Density (g/cm³) = 1.00135 Volume (L) = 1.04665 - Viscosity (mPa s) = 0.54868 + Viscosity (mPa s) = 0.57367 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.838e-04 Mass of water (kg) = 9.994e-01 @@ -3788,10 +3788,10 @@ H2O(g) -0.37 4.298e-01 0.297 3.217e-02 3.841e-02 6.243e-03 pH = 3.116 Charge balance pe = 12.991 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 379 + Specific Conductance (µS/cm, 50°C) = 346 Density (g/cm³) = 1.00168 Volume (L) = 1.04693 - Viscosity (mPa s) = 0.54877 + Viscosity (mPa s) = 0.57414 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.911e-04 Mass of water (kg) = 9.993e-01 @@ -3883,10 +3883,10 @@ H2O(g) -0.32 4.775e-01 0.268 3.841e-02 4.540e-02 6.987e-03 pH = 3.112 Charge balance pe = 12.971 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 382 + Specific Conductance (µS/cm, 50°C) = 348 Density (g/cm³) = 1.00199 Volume (L) = 1.04712 - Viscosity (mPa s) = 0.54887 + Viscosity (mPa s) = 0.57455 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.977e-04 Mass of water (kg) = 9.992e-01 @@ -3978,10 +3978,10 @@ H2O(g) -0.27 5.320e-01 0.241 4.540e-02 5.313e-02 7.732e-03 pH = 3.109 Charge balance pe = 12.832 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 385 + Specific Conductance (µS/cm, 50°C) = 350 Density (g/cm³) = 1.00231 Volume (L) = 1.04725 - Viscosity (mPa s) = 0.54897 + Viscosity (mPa s) = 0.57497 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.043e-04 Mass of water (kg) = 9.990e-01 @@ -4073,10 +4073,10 @@ H2O(g) -0.22 5.960e-01 0.216 5.313e-02 6.160e-02 8.464e-03 pH = 3.105 Charge balance pe = 12.852 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 388 + Specific Conductance (µS/cm, 50°C) = 353 Density (g/cm³) = 1.00268 Volume (L) = 1.04734 - Viscosity (mPa s) = 0.54910 + Viscosity (mPa s) = 0.57542 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.115e-04 Mass of water (kg) = 9.989e-01 @@ -4168,10 +4168,10 @@ H2O(g) -0.17 6.730e-01 0.192 6.160e-02 7.077e-02 9.169e-03 pH = 3.100 Charge balance pe = 12.941 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 391 + Specific Conductance (µS/cm, 50°C) = 356 Density (g/cm³) = 1.00313 Volume (L) = 1.04741 - Viscosity (mPa s) = 0.54926 + Viscosity (mPa s) = 0.57594 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.198e-04 Mass of water (kg) = 9.987e-01 @@ -4263,10 +4263,10 @@ H2O(g) -0.12 7.673e-01 0.170 7.077e-02 8.060e-02 9.828e-03 pH = 3.095 Charge balance pe = 13.004 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 396 + Specific Conductance (µS/cm, 50°C) = 359 Density (g/cm³) = 1.00368 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54946 + Viscosity (mPa s) = 0.57656 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.298e-04 Mass of water (kg) = 9.985e-01 @@ -4358,10 +4358,10 @@ H2O(g) -0.05 8.845e-01 0.148 8.060e-02 9.102e-02 1.042e-02 pH = 3.089 Charge balance pe = 13.053 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 401 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00438 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54972 + Viscosity (mPa s) = 0.57730 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.417e-04 Mass of water (kg) = 9.983e-01 @@ -4453,10 +4453,10 @@ H2O(g) 0.01 1.031e+00 0.129 9.102e-02 1.020e-01 1.094e-02 pH = 3.082 Charge balance pe = 12.930 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 408 + Specific Conductance (µS/cm, 50°C) = 368 Density (g/cm³) = 1.00524 Volume (L) = 1.04738 - Viscosity (mPa s) = 0.55006 + Viscosity (mPa s) = 0.57818 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.561e-04 Mass of water (kg) = 9.981e-01 @@ -4548,10 +4548,10 @@ H2O(g) 0.08 1.215e+00 0.111 1.020e-01 1.133e-01 1.134e-02 pH = 3.073 Charge balance pe = 12.959 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 416 + Specific Conductance (µS/cm, 50°C) = 375 Density (g/cm³) = 1.00631 Volume (L) = 1.04724 - Viscosity (mPa s) = 0.55049 + Viscosity (mPa s) = 0.57924 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.735e-04 Mass of water (kg) = 9.979e-01 @@ -4643,10 +4643,10 @@ H2O(g) 0.16 1.445e+00 0.095 1.133e-01 1.249e-01 1.161e-02 pH = 3.063 Charge balance pe = 13.006 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 425 + Specific Conductance (µS/cm, 50°C) = 382 Density (g/cm³) = 1.00763 Volume (L) = 1.04697 - Viscosity (mPa s) = 0.55104 + Viscosity (mPa s) = 0.58051 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.944e-04 Mass of water (kg) = 9.977e-01 @@ -4738,10 +4738,10 @@ H2O(g) 0.24 1.731e+00 0.081 1.249e-01 1.366e-01 1.171e-02 pH = 3.051 Charge balance pe = 13.077 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 437 + Specific Conductance (µS/cm, 50°C) = 392 Density (g/cm³) = 1.00924 Volume (L) = 1.04656 - Viscosity (mPa s) = 0.55174 + Viscosity (mPa s) = 0.58202 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.196e-04 Mass of water (kg) = 9.975e-01 @@ -4833,10 +4833,10 @@ H2O(g) 0.32 2.086e+00 0.069 1.366e-01 1.482e-01 1.162e-02 pH = 3.037 Charge balance pe = 13.058 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 451 + Specific Conductance (µS/cm, 50°C) = 403 Density (g/cm³) = 1.01120 Volume (L) = 1.04594 - Viscosity (mPa s) = 0.55262 + Viscosity (mPa s) = 0.58381 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.498e-04 Mass of water (kg) = 9.973e-01 @@ -4935,10 +4935,10 @@ H2O(g) 0.40 2.523e+00 0.059 1.482e-01 1.595e-01 1.130e-02 pH = 3.021 Charge balance pe = 14.519 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 467 + Specific Conductance (µS/cm, 50°C) = 417 Density (g/cm³) = 1.01357 Volume (L) = 1.04507 - Viscosity (mPa s) = 0.55373 + Viscosity (mPa s) = 0.58594 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.860e-04 Mass of water (kg) = 9.971e-01 @@ -5037,10 +5037,10 @@ H2O(g) 0.48 3.055e+00 0.050 1.595e-01 1.702e-01 1.071e-02 pH = 3.003 Charge balance pe = 14.536 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 488 + Specific Conductance (µS/cm, 50°C) = 433 Density (g/cm³) = 1.01643 Volume (L) = 1.04387 - Viscosity (mPa s) = 0.55513 + Viscosity (mPa s) = 0.58847 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 9.969e-01 @@ -5139,10 +5139,10 @@ H2O(g) 0.57 3.696e+00 0.044 1.702e-01 1.801e-01 9.820e-03 pH = 2.981 Charge balance pe = 14.556 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 512 + Specific Conductance (µS/cm, 50°C) = 453 Density (g/cm³) = 1.01986 Volume (L) = 1.04226 - Viscosity (mPa s) = 0.55689 + Viscosity (mPa s) = 0.59149 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.082e-03 Mass of water (kg) = 9.967e-01 @@ -5241,10 +5241,10 @@ H2O(g) 0.65 4.463e+00 0.039 1.801e-01 1.886e-01 8.575e-03 pH = 2.957 Charge balance pe = 14.579 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 542 + Specific Conductance (µS/cm, 50°C) = 478 Density (g/cm³) = 1.02395 Volume (L) = 1.04014 - Viscosity (mPa s) = 0.55913 + Viscosity (mPa s) = 0.59512 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.146e-03 Mass of water (kg) = 9.966e-01 @@ -5343,10 +5343,10 @@ H2O(g) 0.73 5.366e+00 0.035 1.886e-01 1.956e-01 6.925e-03 pH = 2.929 Charge balance pe = 14.605 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 579 + Specific Conductance (µS/cm, 50°C) = 508 Density (g/cm³) = 1.02885 Volume (L) = 1.03737 - Viscosity (mPa s) = 0.56199 + Viscosity (mPa s) = 0.59951 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.223e-03 Mass of water (kg) = 9.965e-01 @@ -5445,10 +5445,10 @@ H2O(g) 0.81 6.418e+00 0.032 1.956e-01 2.004e-01 4.813e-03 pH = 2.897 Charge balance pe = 14.634 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 623 + Specific Conductance (µS/cm, 50°C) = 544 Density (g/cm³) = 1.03468 Volume (L) = 1.03381 - Viscosity (mPa s) = 0.56567 + Viscosity (mPa s) = 0.60489 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.318e-03 Mass of water (kg) = 9.964e-01 @@ -5647,10 +5647,10 @@ H2O(g) -0.36 4.356e-01 0.874 1.332e-02 1.642e-02 3.100e-03 pH = 3.465 Charge balance pe = 10.797 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 215 + Specific Conductance (µS/cm, 75°C) = 212 Density (g/cm³) = 0.97762 Volume (L) = 1.03384 - Viscosity (mPa s) = 0.37804 + Viscosity (mPa s) = 0.38077 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.505e-04 Mass of water (kg) = 9.997e-01 @@ -5742,10 +5742,10 @@ H2O(g) -0.30 4.993e-01 0.769 1.642e-02 2.026e-02 3.838e-03 pH = 3.339 Charge balance pe = 2.019 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 285 + Specific Conductance (µS/cm, 75°C) = 278 Density (g/cm³) = 0.97995 Volume (L) = 1.04028 - Viscosity (mPa s) = 0.37856 + Viscosity (mPa s) = 0.38321 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.703e-04 Mass of water (kg) = 9.996e-01 @@ -5837,10 +5837,10 @@ H2O(g) -0.24 5.707e-01 0.679 2.026e-02 2.494e-02 4.679e-03 pH = 3.275 Charge balance pe = 1.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 327 + Specific Conductance (µS/cm, 75°C) = 317 Density (g/cm³) = 0.98185 Volume (L) = 1.04514 - Viscosity (mPa s) = 0.37903 + Viscosity (mPa s) = 0.38513 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.462e-04 Mass of water (kg) = 9.995e-01 @@ -5932,10 +5932,10 @@ H2O(g) -0.19 6.497e-01 0.601 2.494e-02 3.056e-02 5.615e-03 pH = 3.236 Charge balance pe = 2.005 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 356 + Specific Conductance (µS/cm, 75°C) = 343 Density (g/cm³) = 0.98339 Volume (L) = 1.04871 - Viscosity (mPa s) = 0.37944 + Viscosity (mPa s) = 0.38664 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.986e-04 Mass of water (kg) = 9.994e-01 @@ -6027,10 +6027,10 @@ H2O(g) -0.13 7.364e-01 0.534 3.056e-02 3.718e-02 6.627e-03 pH = 3.209 Charge balance pe = 1.984 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 376 + Specific Conductance (µS/cm, 75°C) = 361 Density (g/cm³) = 0.98464 Volume (L) = 1.05128 - Viscosity (mPa s) = 0.37980 + Viscosity (mPa s) = 0.38784 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.364e-04 Mass of water (kg) = 9.993e-01 @@ -6122,10 +6122,10 @@ H2O(g) -0.08 8.308e-01 0.476 3.718e-02 4.488e-02 7.699e-03 pH = 3.191 Charge balance pe = 1.945 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 391 + Specific Conductance (µS/cm, 75°C) = 374 Density (g/cm³) = 0.98568 Volume (L) = 1.05312 - Viscosity (mPa s) = 0.38013 + Viscosity (mPa s) = 0.38879 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.648e-04 Mass of water (kg) = 9.992e-01 @@ -6217,10 +6217,10 @@ H2O(g) -0.03 9.337e-01 0.426 4.488e-02 5.370e-02 8.815e-03 pH = 3.177 Charge balance pe = 1.879 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 402 + Specific Conductance (µS/cm, 75°C) = 384 Density (g/cm³) = 0.98654 Volume (L) = 1.05442 - Viscosity (mPa s) = 0.38042 + Viscosity (mPa s) = 0.38958 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.867e-04 Mass of water (kg) = 9.990e-01 @@ -6312,10 +6312,10 @@ H2O(g) 0.02 1.046e+00 0.383 5.370e-02 6.365e-02 9.958e-03 pH = 3.166 Charge balance pe = 1.968 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 411 + Specific Conductance (µS/cm, 75°C) = 392 Density (g/cm³) = 0.98730 Volume (L) = 1.05534 - Viscosity (mPa s) = 0.38069 + Viscosity (mPa s) = 0.39025 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.045e-04 Mass of water (kg) = 9.988e-01 @@ -6407,10 +6407,10 @@ H2O(g) 0.07 1.170e+00 0.344 6.365e-02 7.477e-02 1.111e-02 pH = 3.157 Charge balance pe = 2.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 419 + Specific Conductance (µS/cm, 75°C) = 399 Density (g/cm³) = 0.98799 Volume (L) = 1.05600 - Viscosity (mPa s) = 0.38095 + Viscosity (mPa s) = 0.39085 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.197e-04 Mass of water (kg) = 9.986e-01 @@ -6502,10 +6502,10 @@ H2O(g) 0.12 1.308e+00 0.310 7.477e-02 8.703e-02 1.226e-02 pH = 3.149 Charge balance pe = 2.246 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 426 + Specific Conductance (µS/cm, 75°C) = 405 Density (g/cm³) = 0.98864 Volume (L) = 1.05647 - Viscosity (mPa s) = 0.38121 + Viscosity (mPa s) = 0.39140 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.333e-04 Mass of water (kg) = 9.984e-01 @@ -6597,10 +6597,10 @@ H2O(g) 0.17 1.463e+00 0.278 8.703e-02 1.004e-01 1.338e-02 pH = 3.141 Charge balance pe = 2.060 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 433 + Specific Conductance (µS/cm, 75°C) = 410 Density (g/cm³) = 0.98930 Volume (L) = 1.05681 - Viscosity (mPa s) = 0.38149 + Viscosity (mPa s) = 0.39195 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.462e-04 Mass of water (kg) = 9.982e-01 @@ -6692,10 +6692,10 @@ H2O(g) 0.21 1.640e+00 0.250 1.004e-01 1.149e-01 1.446e-02 pH = 3.134 Charge balance pe = 1.950 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 440 + Specific Conductance (µS/cm, 75°C) = 416 Density (g/cm³) = 0.98999 Volume (L) = 1.05704 - Viscosity (mPa s) = 0.38179 + Viscosity (mPa s) = 0.39252 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.592e-04 Mass of water (kg) = 9.979e-01 @@ -6787,10 +6787,10 @@ H2O(g) 0.27 1.845e+00 0.224 1.149e-01 1.303e-01 1.547e-02 pH = 3.126 Charge balance pe = 1.990 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 447 + Specific Conductance (µS/cm, 75°C) = 422 Density (g/cm³) = 0.99075 Volume (L) = 1.05719 - Viscosity (mPa s) = 0.38213 + Viscosity (mPa s) = 0.39313 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.726e-04 Mass of water (kg) = 9.976e-01 @@ -6882,10 +6882,10 @@ H2O(g) 0.32 2.085e+00 0.200 1.303e-01 1.467e-01 1.639e-02 pH = 3.118 Charge balance pe = 2.109 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 454 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99159 Volume (L) = 1.05726 - Viscosity (mPa s) = 0.38252 + Viscosity (mPa s) = 0.39380 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.871e-04 Mass of water (kg) = 9.973e-01 @@ -6977,10 +6977,10 @@ H2O(g) 0.37 2.368e+00 0.178 1.467e-01 1.639e-01 1.719e-02 pH = 3.110 Charge balance pe = 2.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 462 + Specific Conductance (µS/cm, 75°C) = 436 Density (g/cm³) = 0.99256 Volume (L) = 1.05726 - Viscosity (mPa s) = 0.38298 + Viscosity (mPa s) = 0.39456 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.031e-04 Mass of water (kg) = 9.970e-01 @@ -7072,10 +7072,10 @@ H2O(g) 0.43 2.704e+00 0.158 1.639e-01 1.818e-01 1.784e-02 pH = 3.100 Charge balance pe = 2.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 472 + Specific Conductance (µS/cm, 75°C) = 444 Density (g/cm³) = 0.99369 Volume (L) = 1.05716 - Viscosity (mPa s) = 0.38353 + Viscosity (mPa s) = 0.39544 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.210e-04 Mass of water (kg) = 9.967e-01 @@ -7167,10 +7167,10 @@ H2O(g) 0.49 3.103e+00 0.140 1.818e-01 2.001e-01 1.830e-02 pH = 3.090 Charge balance pe = 2.124 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 482 + Specific Conductance (µS/cm, 75°C) = 454 Density (g/cm³) = 0.99500 Volume (L) = 1.05696 - Viscosity (mPa s) = 0.38420 + Viscosity (mPa s) = 0.39646 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.413e-04 Mass of water (kg) = 9.964e-01 @@ -7262,10 +7262,10 @@ H2O(g) 0.55 3.579e+00 0.123 2.001e-01 2.186e-01 1.854e-02 pH = 3.078 Charge balance pe = 2.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 495 + Specific Conductance (µS/cm, 75°C) = 464 Density (g/cm³) = 0.99654 Volume (L) = 1.05664 - Viscosity (mPa s) = 0.38499 + Viscosity (mPa s) = 0.39764 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.646e-04 Mass of water (kg) = 9.960e-01 @@ -7357,10 +7357,10 @@ H2O(g) 0.62 4.146e+00 0.109 2.186e-01 2.371e-01 1.851e-02 pH = 3.065 Charge balance pe = 2.230 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 509 + Specific Conductance (µS/cm, 75°C) = 477 Density (g/cm³) = 0.99835 Volume (L) = 1.05616 - Viscosity (mPa s) = 0.38595 + Viscosity (mPa s) = 0.39903 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.914e-04 Mass of water (kg) = 9.957e-01 @@ -7452,10 +7452,10 @@ H2O(g) 0.68 4.819e+00 0.096 2.371e-01 2.553e-01 1.819e-02 pH = 3.050 Charge balance pe = 2.295 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 525 + Specific Conductance (µS/cm, 75°C) = 491 Density (g/cm³) = 1.00048 Volume (L) = 1.05549 - Viscosity (mPa s) = 0.38711 + Viscosity (mPa s) = 0.40067 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.224e-04 Mass of water (kg) = 9.954e-01 @@ -7554,10 +7554,10 @@ H2O(g) 0.75 5.616e+00 0.085 2.553e-01 2.728e-01 1.752e-02 pH = 3.034 Charge balance pe = 12.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 544 + Specific Conductance (µS/cm, 75°C) = 508 Density (g/cm³) = 1.00298 Volume (L) = 1.05459 - Viscosity (mPa s) = 0.38850 + Viscosity (mPa s) = 0.40259 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.585e-04 Mass of water (kg) = 9.951e-01 @@ -7656,10 +7656,10 @@ H2O(g) 0.82 6.552e+00 0.076 2.728e-01 2.893e-01 1.646e-02 pH = 3.016 Charge balance pe = 12.359 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 567 + Specific Conductance (µS/cm, 75°C) = 527 Density (g/cm³) = 1.00591 Volume (L) = 1.05341 - Viscosity (mPa s) = 0.39018 + Viscosity (mPa s) = 0.40486 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.001e-03 Mass of water (kg) = 9.948e-01 @@ -7758,10 +7758,10 @@ H2O(g) 0.88 7.646e+00 0.068 2.893e-01 3.042e-01 1.496e-02 pH = 2.995 Charge balance pe = 12.378 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 593 + Specific Conductance (µS/cm, 75°C) = 550 Density (g/cm³) = 1.00936 Volume (L) = 1.05188 - Viscosity (mPa s) = 0.39221 + Viscosity (mPa s) = 0.40754 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.050e-03 Mass of water (kg) = 9.945e-01 @@ -7860,10 +7860,10 @@ H2O(g) 0.95 8.913e+00 0.062 3.042e-01 3.172e-01 1.297e-02 pH = 2.972 Charge balance pe = 12.400 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 624 + Specific Conductance (µS/cm, 75°C) = 577 Density (g/cm³) = 1.01339 Volume (L) = 1.04992 - Viscosity (mPa s) = 0.39467 + Viscosity (mPa s) = 0.41073 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.108e-03 Mass of water (kg) = 9.943e-01 @@ -7962,10 +7962,10 @@ H2O(g) 1.02 1.037e+01 0.057 3.172e-01 3.276e-01 1.043e-02 pH = 2.946 Charge balance pe = 12.424 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 660 + Specific Conductance (µS/cm, 75°C) = 609 Density (g/cm³) = 1.01812 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.39767 + Viscosity (mPa s) = 0.41454 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.177e-03 Mass of water (kg) = 9.941e-01 @@ -8064,10 +8064,10 @@ H2O(g) 1.08 1.202e+01 0.053 3.276e-01 3.349e-01 7.291e-03 pH = 2.917 Charge balance pe = 12.450 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 704 + Specific Conductance (µS/cm, 75°C) = 646 Density (g/cm³) = 1.02365 Volume (L) = 1.04435 - Viscosity (mPa s) = 0.40132 + Viscosity (mPa s) = 0.41910 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.259e-03 Mass of water (kg) = 9.939e-01 @@ -8166,10 +8166,10 @@ H2O(g) 1.14 1.386e+01 0.051 3.349e-01 3.384e-01 3.493e-03 pH = 2.885 Charge balance pe = 12.480 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 756 + Specific Conductance (µS/cm, 75°C) = 692 Density (g/cm³) = 1.03011 Volume (L) = 1.04050 - Viscosity (mPa s) = 0.40581 + Viscosity (mPa s) = 0.42462 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.357e-03 Mass of water (kg) = 9.939e-01 @@ -8368,10 +8368,10 @@ H2O(g) 0.06 1.139e+00 0.877 3.285e-02 3.984e-02 6.990e-03 pH = 3.544 Charge balance pe = 9.305 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 206 + Specific Conductance (µS/cm, 100°C) = 204 Density (g/cm³) = 0.96086 Volume (L) = 1.05014 - Viscosity (mPa s) = 0.28228 + Viscosity (mPa s) = 0.28373 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.920e-04 Mass of water (kg) = 9.993e-01 @@ -8463,10 +8463,10 @@ H2O(g) 0.11 1.294e+00 0.779 3.984e-02 4.816e-02 8.320e-03 pH = 3.416 Charge balance pe = 2.060 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 273 + Specific Conductance (µS/cm, 100°C) = 269 Density (g/cm³) = 0.96303 Volume (L) = 1.05598 - Viscosity (mPa s) = 0.28288 + Viscosity (mPa s) = 0.28529 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.941e-04 Mass of water (kg) = 9.991e-01 @@ -8558,10 +8558,10 @@ H2O(g) 0.17 1.465e+00 0.695 4.816e-02 5.795e-02 9.787e-03 pH = 3.348 Charge balance pe = 9.623 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 316 + Specific Conductance (µS/cm, 100°C) = 310 Density (g/cm³) = 0.96489 Volume (L) = 1.06054 - Viscosity (mPa s) = 0.28342 + Viscosity (mPa s) = 0.28657 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.610e-04 Mass of water (kg) = 9.989e-01 @@ -8653,10 +8653,10 @@ H2O(g) 0.22 1.653e+00 0.621 5.795e-02 6.931e-02 1.136e-02 pH = 3.306 Charge balance pe = 9.528 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 346 + Specific Conductance (µS/cm, 100°C) = 338 Density (g/cm³) = 0.96649 Volume (L) = 1.06404 - Viscosity (mPa s) = 0.28391 + Viscosity (mPa s) = 0.28765 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.093e-04 Mass of water (kg) = 9.987e-01 @@ -8748,10 +8748,10 @@ H2O(g) 0.27 1.859e+00 0.557 6.931e-02 8.231e-02 1.301e-02 pH = 3.276 Charge balance pe = 2.016 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 369 + Specific Conductance (µS/cm, 100°C) = 359 Density (g/cm³) = 0.96788 Volume (L) = 1.06668 - Viscosity (mPa s) = 0.28436 + Viscosity (mPa s) = 0.28858 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.462e-04 Mass of water (kg) = 9.985e-01 @@ -8843,10 +8843,10 @@ H2O(g) 0.32 2.085e+00 0.501 8.231e-02 9.701e-02 1.470e-02 pH = 3.253 Charge balance pe = 1.941 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 386 + Specific Conductance (µS/cm, 100°C) = 375 Density (g/cm³) = 0.96910 Volume (L) = 1.06867 - Viscosity (mPa s) = 0.28479 + Viscosity (mPa s) = 0.28939 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.755e-04 Mass of water (kg) = 9.982e-01 @@ -8938,10 +8938,10 @@ H2O(g) 0.37 2.333e+00 0.451 9.701e-02 1.134e-01 1.641e-02 pH = 3.236 Charge balance pe = 1.889 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 400 + Specific Conductance (µS/cm, 100°C) = 388 Density (g/cm³) = 0.97021 Volume (L) = 1.07015 - Viscosity (mPa s) = 0.28519 + Viscosity (mPa s) = 0.29012 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.997e-04 Mass of water (kg) = 9.979e-01 @@ -9033,10 +9033,10 @@ H2O(g) 0.42 2.605e+00 0.407 1.134e-01 1.315e-01 1.811e-02 pH = 3.221 Charge balance pe = 1.824 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 413 + Specific Conductance (µS/cm, 100°C) = 399 Density (g/cm³) = 0.97124 Volume (L) = 1.07126 - Viscosity (mPa s) = 0.28558 + Viscosity (mPa s) = 0.29079 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.205e-04 Mass of water (kg) = 9.976e-01 @@ -9128,10 +9128,10 @@ H2O(g) 0.46 2.906e+00 0.368 1.315e-01 1.513e-01 1.977e-02 pH = 3.208 Charge balance pe = 1.845 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 423 + Specific Conductance (µS/cm, 100°C) = 409 Density (g/cm³) = 0.97222 Volume (L) = 1.07208 - Viscosity (mPa s) = 0.28597 + Viscosity (mPa s) = 0.29143 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.392e-04 Mass of water (kg) = 9.973e-01 @@ -9223,10 +9223,10 @@ H2O(g) 0.51 3.242e+00 0.332 1.513e-01 1.727e-01 2.137e-02 pH = 3.197 Charge balance pe = 1.796 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 434 + Specific Conductance (µS/cm, 100°C) = 418 Density (g/cm³) = 0.97320 Volume (L) = 1.07268 - Viscosity (mPa s) = 0.28637 + Viscosity (mPa s) = 0.29206 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.566e-04 Mass of water (kg) = 9.969e-01 @@ -9318,10 +9318,10 @@ H2O(g) 0.56 3.618e+00 0.300 1.727e-01 1.955e-01 2.287e-02 pH = 3.186 Charge balance pe = 1.849 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 443 + Specific Conductance (µS/cm, 100°C) = 426 Density (g/cm³) = 0.97420 Volume (L) = 1.07311 - Viscosity (mPa s) = 0.28679 + Viscosity (mPa s) = 0.29270 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.734e-04 Mass of water (kg) = 9.965e-01 @@ -9413,10 +9413,10 @@ H2O(g) 0.61 4.045e+00 0.271 1.955e-01 2.198e-01 2.424e-02 pH = 3.175 Charge balance pe = 1.832 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 453 + Specific Conductance (µS/cm, 100°C) = 435 Density (g/cm³) = 0.97525 Volume (L) = 1.07339 - Viscosity (mPa s) = 0.28725 + Viscosity (mPa s) = 0.29338 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.903e-04 Mass of water (kg) = 9.960e-01 @@ -9508,10 +9508,10 @@ H2O(g) 0.66 4.530e+00 0.245 2.198e-01 2.452e-01 2.545e-02 pH = 3.165 Charge balance pe = 1.850 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 463 + Specific Conductance (µS/cm, 100°C) = 444 Density (g/cm³) = 0.97639 Volume (L) = 1.07355 - Viscosity (mPa s) = 0.28776 + Viscosity (mPa s) = 0.29410 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.077e-04 Mass of water (kg) = 9.956e-01 @@ -9603,10 +9603,10 @@ H2O(g) 0.71 5.087e+00 0.221 2.452e-01 2.717e-01 2.646e-02 pH = 3.154 Charge balance pe = 1.840 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 474 + Specific Conductance (µS/cm, 100°C) = 454 Density (g/cm³) = 0.97763 Volume (L) = 1.07359 - Viscosity (mPa s) = 0.28833 + Viscosity (mPa s) = 0.29491 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.261e-04 Mass of water (kg) = 9.951e-01 @@ -9698,10 +9698,10 @@ H2O(g) 0.76 5.727e+00 0.199 2.717e-01 2.989e-01 2.722e-02 pH = 3.142 Charge balance pe = 1.755 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 485 + Specific Conductance (µS/cm, 100°C) = 464 Density (g/cm³) = 0.97902 Volume (L) = 1.07352 - Viscosity (mPa s) = 0.28899 + Viscosity (mPa s) = 0.29580 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.459e-04 Mass of water (kg) = 9.946e-01 @@ -9793,10 +9793,10 @@ H2O(g) 0.81 6.466e+00 0.179 2.989e-01 3.266e-01 2.770e-02 pH = 3.130 Charge balance pe = 1.795 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 497 + Specific Conductance (µS/cm, 100°C) = 475 Density (g/cm³) = 0.98059 Volume (L) = 1.07333 - Viscosity (mPa s) = 0.28974 + Viscosity (mPa s) = 0.29681 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.676e-04 Mass of water (kg) = 9.941e-01 @@ -9888,10 +9888,10 @@ H2O(g) 0.86 7.319e+00 0.161 3.266e-01 3.544e-01 2.783e-02 pH = 3.117 Charge balance pe = 1.787 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 511 + Specific Conductance (µS/cm, 100°C) = 488 Density (g/cm³) = 0.98238 Volume (L) = 1.07300 - Viscosity (mPa s) = 0.29062 + Viscosity (mPa s) = 0.29796 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.916e-04 Mass of water (kg) = 9.936e-01 @@ -9983,10 +9983,10 @@ H2O(g) 0.92 8.305e+00 0.145 3.544e-01 3.820e-01 2.758e-02 pH = 3.102 Charge balance pe = 1.799 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 526 + Specific Conductance (µS/cm, 100°C) = 501 Density (g/cm³) = 0.98441 Volume (L) = 1.07253 - Viscosity (mPa s) = 0.29164 + Viscosity (mPa s) = 0.29928 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.184e-04 Mass of water (kg) = 9.931e-01 @@ -10078,10 +10078,10 @@ H2O(g) 0.98 9.442e+00 0.131 3.820e-01 4.089e-01 2.690e-02 pH = 3.087 Charge balance pe = 1.822 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 544 + Specific Conductance (µS/cm, 100°C) = 517 Density (g/cm³) = 0.98675 Volume (L) = 1.07187 - Viscosity (mPa s) = 0.29284 + Viscosity (mPa s) = 0.30081 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.487e-04 Mass of water (kg) = 9.926e-01 @@ -10173,10 +10173,10 @@ H2O(g) 1.03 1.075e+01 0.119 4.089e-01 4.347e-01 2.572e-02 pH = 3.070 Charge balance pe = 1.820 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 563 + Specific Conductance (µS/cm, 100°C) = 534 Density (g/cm³) = 0.98942 Volume (L) = 1.07102 - Viscosity (mPa s) = 0.29424 + Viscosity (mPa s) = 0.30257 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.829e-04 Mass of water (kg) = 9.922e-01 @@ -10275,10 +10275,10 @@ H2O(g) 1.09 1.225e+01 0.108 4.347e-01 4.587e-01 2.401e-02 pH = 3.051 Charge balance pe = 1.790 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 586 + Specific Conductance (µS/cm, 100°C) = 554 Density (g/cm³) = 0.99250 Volume (L) = 1.06991 - Viscosity (mPa s) = 0.29588 + Viscosity (mPa s) = 0.30462 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.220e-04 Mass of water (kg) = 9.917e-01 @@ -10377,10 +10377,10 @@ H2O(g) 1.14 1.395e+01 0.099 4.587e-01 4.804e-01 2.170e-02 pH = 3.031 Charge balance pe = 1.764 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 611 + Specific Conductance (µS/cm, 100°C) = 577 Density (g/cm³) = 0.99605 Volume (L) = 1.06852 - Viscosity (mPa s) = 0.29782 + Viscosity (mPa s) = 0.30700 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.668e-04 Mass of water (kg) = 9.913e-01 @@ -10479,10 +10479,10 @@ H2O(g) 1.20 1.588e+01 0.091 4.804e-01 4.991e-01 1.875e-02 pH = 3.009 Charge balance pe = 11.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 640 + Specific Conductance (µS/cm, 100°C) = 603 Density (g/cm³) = 1.00012 Volume (L) = 1.06679 - Viscosity (mPa s) = 0.30011 + Viscosity (mPa s) = 0.30979 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.018e-03 Mass of water (kg) = 9.910e-01 @@ -10581,10 +10581,10 @@ H2O(g) 1.26 1.804e+01 0.085 4.991e-01 5.142e-01 1.511e-02 pH = 2.984 Charge balance pe = 11.364 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 674 + Specific Conductance (µS/cm, 100°C) = 633 Density (g/cm³) = 1.00480 Volume (L) = 1.06465 - Viscosity (mPa s) = 0.30281 + Viscosity (mPa s) = 0.31305 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.078e-03 Mass of water (kg) = 9.907e-01 @@ -10683,10 +10683,10 @@ H2O(g) 1.31 2.044e+01 0.081 5.142e-01 5.250e-01 1.075e-02 pH = 2.958 Charge balance pe = 11.389 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 713 + Specific Conductance (µS/cm, 100°C) = 667 Density (g/cm³) = 1.01017 Volume (L) = 1.06205 - Viscosity (mPa s) = 0.30601 + Viscosity (mPa s) = 0.31688 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.147e-03 Mass of water (kg) = 9.905e-01 @@ -10785,10 +10785,10 @@ H2O(g) 1.36 2.308e+01 0.078 5.250e-01 5.306e-01 5.633e-03 pH = 2.929 Charge balance pe = 11.416 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 758 + Specific Conductance (µS/cm, 100°C) = 707 Density (g/cm³) = 1.01630 Volume (L) = 1.05892 - Viscosity (mPa s) = 0.30979 + Viscosity (mPa s) = 0.32137 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.228e-03 Mass of water (kg) = 9.904e-01 @@ -10887,10 +10887,10 @@ H2O(g) 1.41 2.593e+01 0.076 5.306e-01 5.304e-01 -2.391e-04 pH = 2.897 Charge balance pe = 11.445 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 810 + Specific Conductance (µS/cm, 100°C) = 753 Density (g/cm³) = 1.02323 Volume (L) = 1.05524 - Viscosity (mPa s) = 0.31423 + Viscosity (mPa s) = 0.32662 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.323e-03 Mass of water (kg) = 9.904e-01 diff --git a/examples/ex3.out b/examples/ex3.out index 902dd6ec2..3671a05c0 100644 --- a/examples/ex3.out +++ b/examples/ex3.out @@ -121,7 +121,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.623e-03 Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 0.99726 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89219 + Viscosity (mPa s) = 0.89272 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.826e-03 Mass of water (kg) = 1.000e+00 @@ -232,7 +232,7 @@ Initial solution 2. Seawater Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -291,7 +291,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.622e-20 O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40 S(6) 2.926e-02 @@ -389,11 +388,11 @@ Mixture 1. ----------------------------Description of solution---------------------------- pH = 7.327 Charge balance - pe = 10.559 Adjusted to redox equilibrium + pe = 10.560 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18310 Density (g/cm³) = 1.00526 Volume (L) = 1.00578 - Viscosity (mPa s) = 0.91373 + Viscosity (mPa s) = 0.91375 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.068e-01 Mass of water (kg) = 1.000e+00 @@ -415,7 +414,7 @@ Mixture 1. H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.395 -122.374 0.021 35.46 + CH4 0.000e+00 0.000e+00 -122.397 -122.377 0.021 35.46 C(4) 3.175e-03 HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15 CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43 @@ -437,8 +436,8 @@ Ca 4.334e-03 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46 HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0) -H(0) 2.284e-39 - H2 1.142e-39 1.198e-39 -38.942 -38.922 0.021 28.61 +H(0) 2.281e-39 + H2 1.140e-39 1.196e-39 -38.943 -38.922 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03 @@ -454,14 +453,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73 - NaOH 2.166e-18 2.272e-18 -17.664 -17.644 0.021 (0) -O(0) 5.475e-15 - O2 2.738e-15 2.871e-15 -14.563 -14.542 0.021 30.40 +O(0) 5.492e-15 + O2 2.746e-15 2.880e-15 -14.561 -14.541 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.519 -119.672 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -120.077 -120.056 0.021 36.27 - S-2 0.000e+00 0.000e+00 -124.732 -125.263 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -241.412 -241.391 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.522 -119.674 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.080 -120.059 0.021 36.27 + S-2 0.000e+00 0.000e+00 -124.735 -125.266 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.417 -241.396 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 @@ -484,7 +482,7 @@ Si 2.215e-05 Aragonite -0.27 -8.60 -8.34 CaCO3 Arcanite -6.35 -8.23 -1.88 K2SO4 Calcite -0.12 -8.60 -8.48 CaCO3 - CH4(g) -119.57 -122.37 -2.80 CH4 + CH4(g) -119.57 -122.38 -2.80 CH4 Chalcedony -1.08 -4.63 -3.55 SiO2 Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4 CO2(g) -2.21 -3.68 -1.47 CO2 @@ -503,7 +501,7 @@ Si 2.215e-05 Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -1.92 -4.63 -2.71 SiO2 - Sulfur -89.17 -84.28 4.88 S + Sulfur -89.17 -84.29 4.88 S Sylvite -4.47 -3.57 0.90 KCl Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2 Thenardite -4.56 -4.86 -0.30 Na2SO4 @@ -565,10 +563,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03 pH = 7.047 Charge balance pe = 10.927 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18479 + Specific Conductance (µS/cm, 25°C) = 18478 Density (g/cm³) = 1.00533 Volume (L) = 1.00583 - Viscosity (mPa s) = 0.91249 + Viscosity (mPa s) = 0.91253 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.071e-01 Mass of water (kg) = 1.000e+00 @@ -590,7 +588,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03 H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.863 -122.842 0.021 35.46 + CH4 0.000e+00 0.000e+00 -122.863 -122.843 0.021 35.46 C(4) 3.016e-03 HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15 CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43 @@ -612,8 +610,8 @@ Ca 1.196e-02 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0) -H(0) 1.519e-39 - H2 7.594e-40 7.965e-40 -39.120 -39.099 0.021 28.61 +H(0) 1.518e-39 + H2 7.590e-40 7.961e-40 -39.120 -39.099 0.021 28.61 K 3.173e-03 K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35 KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03 @@ -629,14 +627,13 @@ Na 1.456e-01 Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73 - NaOH 1.138e-18 1.193e-18 -17.944 -17.923 0.021 (0) -O(0) 1.238e-14 - O2 6.191e-15 6.493e-15 -14.208 -14.188 0.021 30.40 +O(0) 1.239e-14 + O2 6.197e-15 6.500e-15 -14.208 -14.187 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.936 -120.089 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -120.215 -120.194 0.021 36.27 - S-2 0.000e+00 0.000e+00 -125.428 -125.960 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -241.688 -241.667 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.937 -120.090 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.216 -120.195 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.429 -125.961 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.689 -241.669 0.021 30.09 S(6) 8.777e-03 SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 @@ -673,7 +670,7 @@ Si 2.215e-05 Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O Kieserite -4.32 -5.48 -1.16 MgSO4:H2O Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O - O2(g) -11.30 -14.19 -2.89 O2 + O2(g) -11.29 -14.19 -2.89 O2 Quartz -0.65 -4.63 -3.98 SiO2 Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O @@ -738,10 +735,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05 pH = 7.433 Charge balance pe = 10.542 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18315 + Specific Conductance (µS/cm, 25°C) = 18314 Density (g/cm³) = 1.00527 Volume (L) = 1.00578 - Viscosity (mPa s) = 0.91380 + Viscosity (mPa s) = 0.91382 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.069e-01 Mass of water (kg) = 1.000e+00 @@ -763,7 +760,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05 H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -123.201 -123.180 0.021 35.46 + CH4 0.000e+00 0.000e+00 -123.203 -123.182 0.021 35.46 C(4) 3.221e-03 HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 @@ -785,8 +782,8 @@ Ca 4.380e-03 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0) -H(0) 1.517e-39 - H2 7.584e-40 7.954e-40 -39.120 -39.099 0.021 28.61 +H(0) 1.515e-39 + H2 7.577e-40 7.946e-40 -39.121 -39.100 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03 @@ -802,14 +799,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 - NaOH 2.769e-18 2.904e-18 -17.558 -17.537 0.021 (0) -O(0) 1.242e-14 - O2 6.209e-15 6.512e-15 -14.207 -14.186 0.021 30.40 +O(0) 1.244e-14 + O2 6.221e-15 6.524e-15 -14.206 -14.185 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -120.337 -120.489 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -121.002 -120.981 0.021 36.27 - S-2 0.000e+00 0.000e+00 -125.443 -125.974 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -243.261 -243.240 0.021 30.09 + HS- 0.000e+00 0.000e+00 -120.339 -120.491 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -121.003 -120.983 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.445 -125.976 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -243.264 -243.243 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 diff --git a/examples/ex4.out b/examples/ex4.out index f72a74460..1eb01521d 100644 --- a/examples/ex4.out +++ b/examples/ex4.out @@ -143,7 +143,6 @@ Na 6.133e-06 Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51 NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48 NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73 - NaOH 1.941e-25 1.941e-25 -24.712 -24.712 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40 S(6) 1.353e-05 @@ -226,7 +225,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 0.05017 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89048 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 5.002e-02 @@ -297,7 +296,6 @@ Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 - NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 @@ -397,7 +395,7 @@ Mixture 1. Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 1.00332 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89048 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 1.000e+00 @@ -468,7 +466,6 @@ Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 - NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 diff --git a/examples/ex5.out b/examples/ex5.out index 7c0c909f6..4a57105fc 100644 --- a/examples/ex5.out +++ b/examples/ex5.out @@ -165,7 +165,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.140e-08 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -326,7 +326,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04 Specific Conductance (µS/cm, 25°C) = 271 Density (g/cm³) = 0.99719 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89164 + Viscosity (mPa s) = 0.89165 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.605e-03 Mass of water (kg) = 1.000e+00 @@ -405,7 +405,6 @@ Na 5.000e-04 Na+ 4.967e-04 4.656e-04 -3.304 -3.332 -0.028 -1.44 NaSO4- 3.031e-06 2.845e-06 -5.518 -5.546 -0.028 -18.09 NaHCO3 2.864e-07 2.869e-07 -6.543 -6.542 0.001 31.73 - NaOH 6.961e-20 6.967e-20 -19.157 -19.157 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.542 -70.542 0.000 30.40 S(-2) 1.071e-09 @@ -486,9 +485,9 @@ Phase SI log IAP log K(T, P) Initial Final Delta CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.401e-03 Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.932e-03 -Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03 +Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03 Gypsum -1.05 -5.64 -4.58 0.000e+00 0 0.000e+00 -Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 +Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 -----------------------------Solution composition------------------------------ @@ -508,7 +507,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 Specific Conductance (µS/cm, 25°C) = 913 Density (g/cm³) = 0.99754 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89303 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.219e-02 Mass of water (kg) = 1.000e+00 @@ -517,7 +516,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 Temperature (°C) = 25.00 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 26 + Iterations = 25 Total H = 1.110111e+02 Total O = 5.551754e+01 @@ -587,7 +586,6 @@ Na 2.500e-03 Na+ 2.443e-03 2.187e-03 -2.612 -2.660 -0.048 -1.36 NaSO4- 5.622e-05 5.046e-05 -4.250 -4.297 -0.047 -14.46 NaHCO3 8.629e-07 8.678e-07 -6.064 -6.062 0.002 31.73 - NaOH 2.101e-19 2.107e-19 -18.678 -18.676 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.031 -70.030 0.001 30.40 S(-2) 6.410e-10 @@ -620,7 +618,7 @@ S(6) 2.667e-03 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3 FeS(ppt) -5.33 -9.25 -3.92 FeS - Goethite -0.00 -1.00 -1.00 FeOOH + Goethite 0.00 -1.00 -1.00 FeOOH Gypsum -1.05 -5.64 -4.58 CaSO4:2H2O H2(g) -8.07 -11.18 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -631,7 +629,7 @@ S(6) 2.667e-03 Melanterite -8.59 -10.80 -2.21 FeSO4:7H2O Mirabilite -6.93 -8.17 -1.24 Na2SO4:10H2O O2(g) -67.14 -70.03 -2.89 O2 - Pyrite 0.00 -18.48 -18.48 FeS2 + Pyrite -0.00 -18.48 -18.48 FeS2 Siderite -2.75 -13.64 -10.89 FeCO3 Sulfur -7.17 -2.29 4.88 S Thenardite -7.87 -8.17 -0.30 Na2SO4 @@ -690,7 +688,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03 Specific Conductance (µS/cm, 25°C) = 1657 Density (g/cm³) = 0.99799 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89443 + Viscosity (mPa s) = 0.89444 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.237e-02 Mass of water (kg) = 1.000e+00 @@ -769,7 +767,6 @@ Na 5.000e-03 Na+ 4.817e-03 4.179e-03 -2.317 -2.379 -0.062 -1.31 NaSO4- 1.816e-04 1.581e-04 -3.741 -3.801 -0.060 -12.22 NaHCO3 1.305e-06 1.319e-06 -5.884 -5.880 0.004 31.73 - NaOH 3.186e-19 3.202e-19 -18.497 -18.495 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.812 -69.809 0.002 30.40 S(-2) 5.033e-10 @@ -951,7 +948,6 @@ Na 1.500e-02 Na+ 1.395e-02 1.136e-02 -1.855 -1.945 -0.089 -1.18 NaSO4- 1.049e-03 8.593e-04 -2.979 -3.066 -0.087 -7.84 NaHCO3 2.424e-06 2.492e-06 -5.615 -5.603 0.012 31.73 - NaOH 5.969e-19 6.052e-19 -18.224 -18.218 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.487 -69.481 0.006 30.40 S(-2) 3.528e-10 @@ -1054,7 +1050,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02 Specific Conductance (µS/cm, 25°C) = 5635 Density (g/cm³) = 1.00044 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.90053 + Viscosity (mPa s) = 0.90054 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.442e-02 Mass of water (kg) = 9.996e-01 @@ -1133,7 +1129,6 @@ Na 2.501e-02 Na+ 2.325e-02 1.865e-02 -1.633 -1.729 -0.096 -1.15 NaSO4- 1.753e-03 1.414e-03 -2.756 -2.850 -0.093 -6.75 NaHCO3 3.843e-06 3.977e-06 -5.415 -5.400 0.015 31.73 - NaOH 9.492e-19 9.656e-19 -18.023 -18.015 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.474 -69.467 0.007 30.40 S(-2) 3.484e-10 diff --git a/examples/ex6.out b/examples/ex6.out index bdb6ecbad..3bb552938 100644 --- a/examples/ex6.out +++ b/examples/ex6.out @@ -3228,7 +3228,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 288 Density (g/cm³) = 0.99712 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89020 + Viscosity (mPa s) = 0.89019 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.175e-03 Mass of water (kg) = 1.000e+00 @@ -3302,7 +3302,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 190 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89010 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.333e-03 Mass of water (kg) = 1.000e+00 @@ -3559,7 +3559,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 279 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89016 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.372e-03 Mass of water (kg) = 1.000e+00 @@ -3707,7 +3707,7 @@ Initial solution 3. Specific Conductance (µS/cm, 25°C) = 190 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89010 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.333e-03 Mass of water (kg) = 1.000e+00 diff --git a/examples/ex7.out b/examples/ex7.out index 0570eeced..e0b006951 100644 --- a/examples/ex7.out +++ b/examples/ex7.out @@ -145,7 +145,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.453e-03 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99737 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89454 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.281e-03 Mass of water (kg) = 1.000e+00 @@ -294,10 +294,10 @@ Reaction 1. pH = 6.829 Charge balance pe = -3.721 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 460 + Specific Conductance (µS/cm, 25°C) = 459 Density (g/cm³) = 0.99737 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89504 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.354e-03 Mass of water (kg) = 1.000e+00 @@ -400,10 +400,10 @@ Reaction 1. pH = 6.727 Charge balance pe = -3.642 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 463 + Specific Conductance (µS/cm, 25°C) = 462 Density (g/cm³) = 0.99737 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89307 + Viscosity (mPa s) = 0.89549 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.425e-03 Mass of water (kg) = 1.000e+00 @@ -509,7 +509,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 465 Density (g/cm³) = 0.99737 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89310 + Viscosity (mPa s) = 0.89590 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.495e-03 Mass of water (kg) = 1.000e+00 @@ -626,10 +626,10 @@ N2(g) -3.44 3.610e-04 1.000 0.000e+00 1.647e-07 1.647e-07 pH = 6.584 Charge balance pe = -3.504 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 468 + Specific Conductance (µS/cm, 25°C) = 467 Density (g/cm³) = 0.99738 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89313 + Viscosity (mPa s) = 0.89624 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.565e-03 Mass of water (kg) = 1.000e+00 @@ -746,10 +746,10 @@ N2(g) -3.02 9.612e-04 1.000 0.000e+00 2.567e-06 2.567e-06 pH = 6.425 Charge balance pe = -3.320 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 479 + Specific Conductance (µS/cm, 25°C) = 477 Density (g/cm³) = 0.99741 Volume (L) = 1.00320 - Viscosity (mPa s) = 0.89323 + Viscosity (mPa s) = 0.89735 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.837e-03 Mass of water (kg) = 9.999e-01 @@ -866,10 +866,10 @@ N2(g) -2.58 2.636e-03 1.000 0.000e+00 2.006e-05 2.006e-05 pH = 6.272 Charge balance pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 499 + Specific Conductance (µS/cm, 25°C) = 497 Density (g/cm³) = 0.99746 Volume (L) = 1.00327 - Viscosity (mPa s) = 0.89344 + Viscosity (mPa s) = 0.89888 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.355e-03 Mass of water (kg) = 9.999e-01 @@ -986,10 +986,10 @@ N2(g) -2.13 7.467e-03 1.000 0.000e+00 1.430e-04 1.430e-04 pH = 6.161 Charge balance pe = -3.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 532 + Specific Conductance (µS/cm, 25°C) = 530 Density (g/cm³) = 0.99754 Volume (L) = 1.00338 - Viscosity (mPa s) = 0.89377 + Viscosity (mPa s) = 0.90075 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.214e-03 Mass of water (kg) = 9.999e-01 @@ -1106,10 +1106,10 @@ N2(g) -1.77 1.683e-02 1.000 0.000e+00 7.780e-04 7.780e-04 pH = 6.101 Charge balance pe = -2.919 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 568 + Specific Conductance (µS/cm, 25°C) = 566 Density (g/cm³) = 0.99762 Volume (L) = 1.00348 - Viscosity (mPa s) = 0.89414 + Viscosity (mPa s) = 0.90252 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.016e-02 Mass of water (kg) = 9.999e-01 @@ -1226,10 +1226,10 @@ N2(g) -1.60 2.537e-02 1.001 0.000e+00 2.608e-03 2.608e-03 pH = 6.071 Charge balance pe = -2.876 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 591 + Specific Conductance (µS/cm, 25°C) = 588 Density (g/cm³) = 0.99767 Volume (L) = 1.00356 - Viscosity (mPa s) = 0.89437 + Viscosity (mPa s) = 0.90362 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.075e-02 Mass of water (kg) = 9.999e-01 @@ -1346,10 +1346,10 @@ N2(g) -1.51 3.068e-02 1.001 0.000e+00 6.827e-03 6.827e-03 pH = 6.055 Charge balance pe = -2.853 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 602 + Specific Conductance (µS/cm, 25°C) = 600 Density (g/cm³) = 0.99770 Volume (L) = 1.00365 - Viscosity (mPa s) = 0.89448 + Viscosity (mPa s) = 0.90420 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.105e-02 Mass of water (kg) = 9.999e-01 @@ -1466,10 +1466,10 @@ N2(g) -1.48 3.341e-02 1.001 0.000e+00 1.550e-02 1.550e-02 pH = 6.047 Charge balance pe = -2.841 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 608 + Specific Conductance (µS/cm, 25°C) = 605 Density (g/cm³) = 0.99771 Volume (L) = 1.00376 - Viscosity (mPa s) = 0.89454 + Viscosity (mPa s) = 0.90448 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.119e-02 Mass of water (kg) = 1.000e+00 @@ -1586,10 +1586,10 @@ N2(g) -1.46 3.477e-02 1.001 0.000e+00 3.297e-02 3.297e-02 pH = 6.043 Charge balance pe = -2.835 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 610 + Specific Conductance (µS/cm, 25°C) = 607 Density (g/cm³) = 0.99772 Volume (L) = 1.00397 - Viscosity (mPa s) = 0.89456 + Viscosity (mPa s) = 0.90461 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.126e-02 Mass of water (kg) = 1.000e+00 @@ -1775,7 +1775,7 @@ N2(g) -4.45 3.523e-05 1.000 0.000e+00 3.341e-05 3.341e-05 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89457 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.284e-03 Mass of water (kg) = 1.000e+00 @@ -1895,7 +1895,7 @@ N2(g) -4.15 7.071e-05 1.000 0.000e+00 6.706e-05 6.706e-05 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89459 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.287e-03 Mass of water (kg) = 1.000e+00 @@ -2015,7 +2015,7 @@ N2(g) -3.97 1.062e-04 1.000 0.000e+00 1.008e-04 1.008e-04 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89461 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.290e-03 Mass of water (kg) = 1.000e+00 @@ -2132,10 +2132,10 @@ N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04 pH = 6.944 Charge balance pe = -3.581 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 458 + Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89463 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.293e-03 Mass of water (kg) = 1.000e+00 @@ -2252,10 +2252,10 @@ N2(g) -3.55 2.842e-04 1.000 0.000e+00 2.696e-04 2.696e-04 pH = 6.921 Charge balance pe = -3.593 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 458 + Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89471 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.303e-03 Mass of water (kg) = 1.000e+00 @@ -2372,10 +2372,10 @@ N2(g) -3.24 5.690e-04 1.000 0.000e+00 5.396e-04 5.396e-04 pH = 6.878 Charge balance pe = -3.582 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 459 + Specific Conductance (µS/cm, 25°C) = 458 Density (g/cm³) = 0.99733 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89486 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.323e-03 Mass of water (kg) = 1.000e+00 @@ -2495,7 +2495,7 @@ N2(g) -2.94 1.137e-03 1.000 0.000e+00 1.079e-03 1.079e-03 Specific Conductance (µS/cm, 25°C) = 460 Density (g/cm³) = 0.99734 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89307 + Viscosity (mPa s) = 0.89515 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.365e-03 Mass of water (kg) = 1.000e+00 @@ -2612,10 +2612,10 @@ N2(g) -2.64 2.268e-03 1.000 0.000e+00 2.151e-03 2.151e-03 pH = 6.690 Charge balance pe = -3.443 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 464 + Specific Conductance (µS/cm, 25°C) = 463 Density (g/cm³) = 0.99735 Volume (L) = 1.00317 - Viscosity (mPa s) = 0.89310 + Viscosity (mPa s) = 0.89568 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.459e-03 Mass of water (kg) = 1.000e+00 @@ -2732,10 +2732,10 @@ N2(g) -2.36 4.407e-03 1.000 0.000e+00 4.181e-03 4.181e-03 pH = 6.540 Charge balance pe = -3.309 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 472 + Specific Conductance (µS/cm, 25°C) = 471 Density (g/cm³) = 0.99737 Volume (L) = 1.00326 - Viscosity (mPa s) = 0.89318 + Viscosity (mPa s) = 0.89657 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.665e-03 Mass of water (kg) = 1.000e+00 @@ -2852,10 +2852,10 @@ N2(g) -2.06 8.751e-03 1.000 0.000e+00 8.306e-03 8.306e-03 pH = 6.360 Charge balance pe = -3.139 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 491 + Specific Conductance (µS/cm, 25°C) = 490 Density (g/cm³) = 0.99742 Volume (L) = 1.00345 - Viscosity (mPa s) = 0.89337 + Viscosity (mPa s) = 0.89810 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.155e-03 Mass of water (kg) = 1.000e+00 @@ -2972,10 +2972,10 @@ N2(g) -1.76 1.738e-02 1.000 0.000e+00 1.651e-02 1.651e-02 pH = 6.180 Charge balance pe = -2.966 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 532 + Specific Conductance (µS/cm, 25°C) = 530 Density (g/cm³) = 0.99753 Volume (L) = 1.00381 - Viscosity (mPa s) = 0.89378 + Viscosity (mPa s) = 0.90063 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.223e-03 Mass of water (kg) = 1.000e+00 @@ -3092,10 +3092,10 @@ N2(g) -1.46 3.459e-02 1.001 0.000e+00 3.292e-02 3.292e-02 pH = 6.022 Charge balance pe = -2.811 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 614 + Specific Conductance (µS/cm, 25°C) = 611 Density (g/cm³) = 0.99773 Volume (L) = 1.00454 - Viscosity (mPa s) = 0.89459 + Viscosity (mPa s) = 0.90495 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.135e-02 Mass of water (kg) = 1.001e+00 diff --git a/examples/ex8.out b/examples/ex8.out index 37d31d328..62430fd48 100644 --- a/examples/ex8.out +++ b/examples/ex8.out @@ -119,7 +119,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-07 @@ -214,7 +213,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.533e-02 -1.000 -1.123 -0.123 29.77 Na 9.981e-02 Na+ 9.981e-02 7.836e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.724e-18 7.904e-18 -17.112 -17.102 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-04 @@ -382,7 +380,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.987e-02 Na+ 9.987e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.730e-21 7.910e-21 -20.112 -20.102 0.010 (0) O(0) 3.858e-06 O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40 Zn 9.967e-08 @@ -495,7 +492,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -9.667e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 - Iterations = 14 + Iterations = 15 Total H = 1.110122e+02 Total O = 5.580611e+01 @@ -520,7 +517,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.990e-02 Na+ 9.990e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09 - NaOH 1.375e-20 1.407e-20 -19.862 -19.852 0.010 (0) O(0) 2.776e-06 O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40 Zn 9.910e-08 @@ -633,7 +629,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -8.214e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 - Iterations = 15 + Iterations = 16 Total H = 1.110123e+02 Total O = 5.580613e+01 @@ -658,7 +654,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.991e-02 Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.445e-20 2.502e-20 -19.612 -19.602 0.010 (0) O(0) 1.998e-06 O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40 Zn 9.759e-08 @@ -771,7 +766,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -6.888e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580615e+01 @@ -796,7 +791,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.993e-02 Na+ 9.993e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.349e-20 4.450e-20 -19.362 -19.352 0.010 (0) O(0) 1.438e-06 O2 7.190e-07 7.357e-07 -6.143 -6.133 0.010 30.40 Zn 9.369e-08 @@ -909,7 +903,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -5.700e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 15 + Iterations = 14 Total H = 1.110123e+02 Total O = 5.580616e+01 @@ -934,7 +928,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.994e-02 Na+ 9.994e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.735e-20 7.915e-20 -19.112 -19.102 0.010 (0) O(0) 1.035e-06 O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40 Zn 8.454e-08 @@ -1047,7 +1040,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -4.647e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580617e+01 @@ -1072,7 +1065,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.995e-02 Na+ 9.995e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-19 1.408e-19 -18.862 -18.852 0.010 (0) O(0) 7.448e-07 O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010 30.40 Zn 6.679e-08 @@ -1185,7 +1177,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -3.722e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580618e+01 @@ -1210,7 +1202,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.446e-19 2.503e-19 -18.611 -18.601 0.010 (0) O(0) 5.360e-07 O2 2.680e-07 2.742e-07 -6.572 -6.562 0.010 30.40 Zn 4.243e-08 @@ -1323,7 +1314,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.911e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.580619e+01 @@ -1348,7 +1339,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.997e-02 Na+ 9.997e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.351e-19 4.452e-19 -18.361 -18.351 0.010 (0) O(0) 3.858e-07 O2 1.929e-07 1.974e-07 -6.715 -6.705 0.010 30.40 Zn 2.114e-08 @@ -1486,7 +1476,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.738e-19 7.918e-19 -18.111 -18.101 0.010 (0) O(0) 2.776e-07 O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40 Zn 8.811e-09 @@ -1624,7 +1613,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-18 1.408e-18 -17.861 -17.851 0.010 (0) O(0) 1.998e-07 O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40 Zn 3.340e-09 @@ -1762,7 +1750,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.447e-18 2.504e-18 -17.611 -17.601 0.010 (0) O(0) 1.438e-07 O2 7.190e-08 7.357e-08 -7.143 -7.133 0.010 30.40 Zn 1.217e-09 @@ -1900,7 +1887,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.352e-18 4.453e-18 -17.361 -17.351 0.010 (0) O(0) 1.035e-07 O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40 Zn 4.403e-10 @@ -2013,7 +1999,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.787e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580622e+01 @@ -2038,7 +2024,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 7.448e-08 O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40 Zn 1.628e-10 @@ -2185,7 +2170,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.124e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06 - Iterations = 21 + Iterations = 23 Total H = 1.110122e+02 Total O = 5.580609e+01 @@ -2210,7 +2195,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.967e-02 Na+ 9.967e-02 7.825e-02 -1.001 -1.107 -0.105 -1.09 - NaOH 7.714e-21 7.893e-21 -20.113 -20.103 0.010 (0) O(0) 3.857e-06 O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40 Zn 9.969e-05 @@ -2323,7 +2307,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -9.689e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 - Iterations = 23 + Iterations = 21 Total H = 1.110122e+02 Total O = 5.580611e+01 @@ -2339,16 +2323,15 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.278 -43.268 0.010 28.61 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -52.884 -53.012 -0.128 18.15 - NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.42 -N(0) 1.110e-06 - N2 5.552e-07 5.682e-07 -6.256 -6.246 0.010 29.29 + NH3 0.000e+00 0.000e+00 -57.016 -57.006 0.010 24.42 +N(0) 1.111e-06 + N2 5.553e-07 5.683e-07 -6.255 -6.245 0.010 29.29 N(3) 2.843e-13 NO2- 2.843e-13 2.142e-13 -12.546 -12.669 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.970e-02 Na+ 9.970e-02 7.827e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.372e-20 1.404e-20 -19.863 -19.853 0.010 (0) O(0) 2.776e-06 O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40 Zn 9.923e-05 @@ -2461,7 +2444,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -8.259e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 - Iterations = 21 + Iterations = 22 Total H = 1.110123e+02 Total O = 5.580613e+01 @@ -2476,19 +2459,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.206 -43.196 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -53.098 -53.226 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -53.099 -53.227 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.42 -N(0) 7.997e-07 - N2 3.998e-07 4.092e-07 -6.398 -6.388 0.010 29.29 -N(3) 3.352e-13 - NO2- 3.352e-13 2.525e-13 -12.475 -12.598 -0.123 25.24 +N(0) 7.992e-07 + N2 3.996e-07 4.089e-07 -6.398 -6.388 0.010 29.29 +N(3) 3.351e-13 + NO2- 3.351e-13 2.525e-13 -12.475 -12.598 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.972e-02 Na+ 9.972e-02 7.828e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.440e-20 2.497e-20 -19.613 -19.603 0.010 (0) -O(0) 1.997e-06 - O2 9.987e-07 1.022e-06 -6.001 -5.991 0.010 30.40 +O(0) 1.998e-06 + O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40 Zn 9.832e-05 Zn+2 9.830e-05 3.697e-05 -4.007 -4.432 -0.425 -24.68 ZnOH+ 1.636e-08 1.278e-08 -7.786 -7.894 -0.107 (0) @@ -2599,7 +2581,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -6.970e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 22 + Iterations = 23 Total H = 1.110123e+02 Total O = 5.580615e+01 @@ -2624,7 +2606,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.973e-02 Na+ 9.973e-02 7.830e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 4.340e-20 4.441e-20 -19.362 -19.352 0.010 (0) O(0) 1.438e-06 O2 7.189e-07 7.357e-07 -6.143 -6.133 0.010 30.40 Zn 9.698e-05 @@ -2762,7 +2743,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.975e-02 Na+ 9.975e-02 7.831e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.719e-20 7.899e-20 -19.112 -19.102 0.010 (0) O(0) 1.035e-06 O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40 Zn 9.549e-05 @@ -2892,15 +2872,14 @@ H(0) 0.000e+00 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.42 -N(0) 2.979e-07 - N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29 +N(0) 2.980e-07 + N2 1.490e-07 1.525e-07 -6.827 -6.817 0.010 29.29 N(3) 5.489e-13 - NO2- 5.489e-13 4.135e-13 -12.260 -12.383 -0.123 25.24 + NO2- 5.489e-13 4.136e-13 -12.260 -12.383 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.976e-02 Na+ 9.976e-02 7.832e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.373e-19 1.405e-19 -18.862 -18.852 0.010 (0) O(0) 7.447e-07 O2 3.723e-07 3.810e-07 -6.429 -6.419 0.010 30.40 Zn 9.374e-05 @@ -3038,7 +3017,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.978e-02 Na+ 9.978e-02 7.833e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.442e-19 2.499e-19 -18.612 -18.602 0.010 (0) O(0) 5.358e-07 O2 2.679e-07 2.741e-07 -6.572 -6.562 0.010 30.40 Zn 9.075e-05 @@ -3168,15 +3146,14 @@ H(0) 0.000e+00 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -54.169 -54.297 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.801 -56.791 0.010 24.42 -N(0) 1.546e-07 - N2 7.731e-08 7.911e-08 -7.112 -7.102 0.010 29.29 -N(3) 7.630e-13 - NO2- 7.630e-13 5.749e-13 -12.117 -12.240 -0.123 25.24 +N(0) 1.547e-07 + N2 7.733e-08 7.913e-08 -7.112 -7.102 0.010 29.29 +N(3) 7.631e-13 + NO2- 7.631e-13 5.749e-13 -12.117 -12.240 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.980e-02 Na+ 9.980e-02 7.835e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 4.343e-19 4.444e-19 -18.362 -18.352 0.010 (0) O(0) 3.854e-07 O2 1.927e-07 1.972e-07 -6.715 -6.705 0.010 30.40 Zn 8.484e-05 @@ -3314,7 +3291,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.982e-02 Na+ 9.982e-02 7.837e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.725e-19 7.905e-19 -18.112 -18.102 0.010 (0) O(0) 2.776e-07 O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40 Zn 7.503e-05 @@ -3427,7 +3403,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.512e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 25 + Iterations = 23 Total H = 1.110125e+02 Total O = 5.580627e+01 @@ -3442,19 +3418,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -54.598 -54.727 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.42 -N(0) 7.992e-08 - N2 3.996e-08 4.089e-08 -7.398 -7.388 0.010 29.29 +N(0) 7.993e-08 + N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010 29.29 N(3) 1.060e-12 - NO2- 1.060e-12 7.984e-13 -11.975 -12.098 -0.123 25.24 + NO2- 1.060e-12 7.985e-13 -11.975 -12.098 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.985e-02 Na+ 9.985e-02 7.839e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.374e-18 1.406e-18 -17.862 -17.852 0.010 (0) O(0) 1.998e-07 - O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40 + O2 9.989e-08 1.022e-07 -7.000 -6.990 0.010 30.40 Zn 6.248e-05 Zn+2 6.181e-05 2.325e-05 -4.209 -4.634 -0.425 -24.68 ZnOH+ 5.783e-07 4.517e-07 -6.238 -6.345 -0.107 (0) @@ -3565,7 +3540,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.288e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 23 + Iterations = 26 Total H = 1.110126e+02 Total O = 5.580630e+01 @@ -3580,19 +3555,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.635 -42.625 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -54.812 -54.940 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -54.813 -54.941 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.42 -N(0) 5.759e-08 - N2 2.879e-08 2.947e-08 -7.541 -7.531 0.010 29.29 -N(3) 1.250e-12 - NO2- 1.250e-12 9.414e-13 -11.903 -12.026 -0.123 25.24 +N(0) 5.752e-08 + N2 2.876e-08 2.943e-08 -7.541 -7.531 0.010 29.29 +N(3) 1.249e-12 + NO2- 1.249e-12 9.412e-13 -11.903 -12.026 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.988e-02 Na+ 9.988e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.444e-18 2.501e-18 -17.612 -17.602 0.010 (0) -O(0) 1.437e-07 - O2 7.186e-08 7.353e-08 -7.144 -7.134 0.010 30.40 +O(0) 1.438e-07 + O2 7.189e-08 7.357e-08 -7.143 -7.133 0.010 30.40 Zn 4.944e-05 Zn+2 4.841e-05 1.821e-05 -4.315 -4.740 -0.425 -24.68 ZnOH+ 8.055e-07 6.292e-07 -6.094 -6.201 -0.107 (0) @@ -3607,8 +3581,8 @@ Zn 4.944e-05 Fix_H+ -7.50 -7.50 0.00 H+ H2(g) -39.52 -42.62 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - N2(g) -4.35 -7.53 -3.18 N2 - NH3(g) -58.48 -56.68 1.80 NH3 + N2(g) -4.36 -7.53 -3.18 N2 + NH3(g) -58.48 -56.69 1.80 NH3 O2(g) -4.24 -7.13 -2.89 O2 Zn(OH)2(e) -1.24 10.26 11.50 Zn(OH)2 @@ -3691,7 +3665,7 @@ Hfo_w ----------------------------Description of solution---------------------------- pH = 7.750 Charge balance - pe = 11.952 Adjusted to redox equilibrium + pe = 11.951 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9914 Density (g/cm³) = 1.00265 Volume (L) = 1.00583 @@ -3703,7 +3677,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.080e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 25 + Iterations = 23 Total H = 1.110126e+02 Total O = 5.580632e+01 @@ -3718,19 +3692,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.563 -42.553 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -55.027 -55.155 -0.128 18.15 - NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010 24.42 -N(0) 4.139e-08 - N2 2.070e-08 2.118e-08 -7.684 -7.674 0.010 29.29 -N(3) 1.473e-12 - NO2- 1.473e-12 1.109e-12 -11.832 -11.955 -0.123 25.24 + NH4+ 0.000e+00 0.000e+00 -55.025 -55.153 -0.128 18.15 + NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.42 +N(0) 4.165e-08 + N2 2.082e-08 2.131e-08 -7.681 -7.671 0.010 29.29 +N(3) 1.474e-12 + NO2- 1.474e-12 1.111e-12 -11.831 -11.954 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.991e-02 Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.348e-18 4.449e-18 -17.362 -17.352 0.010 (0) -O(0) 1.035e-07 - O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40 +O(0) 1.032e-07 + O2 5.162e-08 5.282e-08 -7.287 -7.277 0.010 30.40 Zn 3.752e-05 Zn+2 3.594e-05 1.352e-05 -4.444 -4.869 -0.425 -24.68 ZnOH+ 1.063e-06 8.307e-07 -5.973 -6.081 -0.107 (0) @@ -3746,7 +3719,7 @@ Zn 3.752e-05 H2(g) -39.45 -42.55 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O N2(g) -4.50 -7.67 -3.18 N2 - NH3(g) -58.45 -56.65 1.80 NH3 + NH3(g) -58.44 -56.65 1.80 NH3 O2(g) -4.38 -7.28 -2.89 O2 Zn(OH)2(e) -0.87 10.63 11.50 Zn(OH)2 @@ -3841,7 +3814,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.854e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 24 + Iterations = 25 Total H = 1.110127e+02 Total O = 5.580635e+01 @@ -3866,9 +3839,8 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.993e-02 Na+ 9.993e-02 7.845e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.734e-18 7.914e-18 -17.112 -17.102 0.010 (0) -O(0) 7.447e-08 - O2 3.724e-08 3.810e-08 -7.429 -7.419 0.010 30.40 +O(0) 7.448e-08 + O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40 Zn 2.762e-05 Zn+2 2.514e-05 9.458e-06 -4.600 -5.024 -0.425 -24.68 ZnOH+ 1.323e-06 1.033e-06 -5.878 -5.986 -0.107 (0) diff --git a/examples/ex8.sel b/examples/ex8.sel index 0ddfff4fd..880c923a8 100644 --- a/examples/ex8.sel +++ b/examples/ex8.sel @@ -1,5 +1,5 @@ sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+ - 5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.0561601 9.9667e-08 1.3174e-11 3.1450e-10 + 5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.05616 9.9667e-08 1.3174e-11 3.1450e-10 6 react 1 -99 0 1 5.25 14.8088 -99 25.000 -6.81073e-06 0.0999508 0.999998 -9.66739e-05 -0.0483609 9.9094e-08 3.6062e-11 8.6083e-10 7 react 1 -99 0 1 5.5 14.5231 -99 25.000 -3.8271e-06 0.0999584 0.999998 -8.21358e-05 -0.0410851 9.7570e-08 9.7072e-11 2.3165e-09 8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.14703e-06 0.0999652 0.999999 -6.88825e-05 -0.0344533 9.3666e-08 2.5380e-10 6.0522e-09 @@ -23,5 +23,5 @@ 28 react 2 -99 0 1 7 12.8088 -99 25.000 4.7235e-07 0.10006 1 -2.81879e-05 -0.0140959 7.4599e-05 2.0021e-05 4.9534e-06 29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.25371e-07 0.100049 1 -2.51184e-05 -0.0125608 6.1808e-05 3.2551e-05 4.9732e-06 30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.63108e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06 - 31 react 2 -99 0 1 7.75 11.9517 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06 + 31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06 32 react 2 -99 0 1 8 11.666 -99 25.000 4.94809e-06 0.100017 1 -1.85413e-05 -0.00927139 2.5143e-05 6.7388e-05 4.9897e-06 diff --git a/examples/ex9.out b/examples/ex9.out index 349afdd30..38a8cab1c 100644 --- a/examples/ex9.out +++ b/examples/ex9.out @@ -214,7 +214,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 9.106e-20 9.128e-20 -19.041 -19.040 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -280,7 +279,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.669e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.298e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.244e-16 + Electrical balance (eq) = 8.209e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 208 (195 overall) Total H = 1.110124e+02 @@ -320,7 +319,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.010e-20 1.012e-20 -19.996 -19.995 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -381,7 +379,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.858e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.041e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.307e-16 + Electrical balance (eq) = 8.134e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 27 Total H = 1.110124e+02 @@ -421,7 +419,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.838e-21 5.852e-21 -20.234 -20.233 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -482,7 +479,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.073e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.670e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.165e-16 + Electrical balance (eq) = 9.043e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 67 Total H = 1.110124e+02 @@ -522,7 +519,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 3.029e-21 3.036e-21 -20.519 -20.518 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -583,7 +579,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.928e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.641e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.899e-15 + Electrical balance (eq) = 6.887e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 26 Total H = 1.110124e+02 @@ -623,7 +619,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.921e-21 1.926e-21 -20.716 -20.715 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -684,7 +679,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.731e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.533e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.912e-15 + Electrical balance (eq) = 6.899e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 @@ -724,7 +719,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.426e-21 1.430e-21 -20.846 -20.845 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -785,7 +779,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.071e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.960e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.927e-15 + Electrical balance (eq) = 6.911e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 @@ -825,7 +819,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.076e-21 1.079e-21 -20.968 -20.967 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -886,7 +879,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.211e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.244e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.924e-15 + Electrical balance (eq) = 6.909e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -926,7 +919,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 8.626e-22 8.647e-22 -21.064 -21.063 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -987,7 +979,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.790e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.556e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.927e-15 + Electrical balance (eq) = 6.909e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -1027,7 +1019,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 6.933e-22 6.949e-22 -21.159 -21.158 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1088,7 +1079,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.440e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.774e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.316e-14 + Electrical balance (eq) = 5.315e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -1128,7 +1119,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 6.109e-22 6.124e-22 -21.214 -21.213 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1189,7 +1179,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.315e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.946e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.627e-14 + Electrical balance (eq) = 5.625e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -1229,7 +1219,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.589e-22 5.602e-22 -21.253 -21.252 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1290,7 +1279,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.633e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.091e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.669e-14 + Electrical balance (eq) = 5.667e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -1330,7 +1319,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.218e-22 5.230e-22 -21.283 -21.281 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 diff --git a/mytest/Amm.out b/mytest/Amm.out index 01ba7cc3e..01db6352c 100644 --- a/mytest/Amm.out +++ b/mytest/Amm.out @@ -62,7 +62,7 @@ Amm, ug/L: 2.3603e+01 Specific Conductance (µS/cm, 10°C) = 0 Density (g/cm³) = 0.99970 (Iterated) Volume (L) = 1.00030 - Viscosity (mPa s) = 1.30958 + Viscosity (mPa s) = 1.30990 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.285e-06 Mass of water (kg) = 1.000e+00 diff --git a/mytest/Amm_101.sel b/mytest/Amm_101.sel index cfeaeada6..988b4b16e 100644 --- a/mytest/Amm_101.sel +++ b/mytest/Amm_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.000001284536 0.2563604097 + 0.000001284536 0.2563589333 diff --git a/mytest/Apelbl_Na2CO3.out b/mytest/Apelbl_Na2CO3.out index 7580484d5..d3ccff901 100644 --- a/mytest/Apelbl_Na2CO3.out +++ b/mytest/Apelbl_Na2CO3.out @@ -60,17 +60,17 @@ Initial solution 1. pH = 11.375 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 15627 + Specific Conductance (µS/cm, 25°C) = 15625 Density (g/cm³) = 1.00793 Volume (L) = 1.00271 - Viscosity (mPa s) = 0.93629 + Viscosity (mPa s) = 0.93651 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.962e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.929e-13 + Electrical balance (eq) = -1.930e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110195e+02 @@ -95,7 +95,6 @@ H(0) 2.356e-34 Na 2.000e-01 Na+ 1.997e-01 1.460e-01 -0.700 -0.836 -0.136 -0.82 NaHCO3 2.622e-04 3.005e-04 -3.581 -3.522 0.059 31.73 - NaOH 3.253e-14 3.482e-14 -13.488 -13.458 0.030 (0) O(0) 4.847e-25 O2 2.423e-25 2.594e-25 -24.616 -24.586 0.030 30.40 @@ -124,10 +123,10 @@ Initial solution 2. pH = 11.631 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 54368 + Specific Conductance (µS/cm, 25°C) = 54341 Density (g/cm³) = 1.04911 Volume (L) = 1.00383 - Viscosity (mPa s) = 1.15365 + Viscosity (mPa s) = 1.15473 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.491e+00 Mass of water (kg) = 1.000e+00 @@ -159,7 +158,6 @@ H(0) 5.492e-35 Na 1.000e+00 Na+ 9.986e-01 7.682e-01 -0.001 -0.115 -0.114 -0.07 NaHCO3 1.350e-03 2.683e-03 -2.870 -2.571 0.298 31.73 - NaOH 2.298e-13 3.240e-13 -12.639 -12.489 0.149 (0) O(0) 3.748e-24 O2 1.874e-24 2.642e-24 -23.727 -23.578 0.149 30.40 @@ -188,10 +186,10 @@ Initial solution 3. pH = 11.747 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 82349 + Specific Conductance (µS/cm, 25°C) = 82287 Density (g/cm³) = 1.09692 Volume (L) = 1.00845 - Viscosity (mPa s) = 1.55938 + Viscosity (mPa s) = 1.56162 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.987e+00 Mass of water (kg) = 1.000e+00 @@ -223,7 +221,6 @@ H(0) 2.278e-35 Na 2.000e+00 Na+ 1.998e+00 1.904e+00 0.301 0.280 -0.021 0.48 NaHCO3 2.147e-03 8.499e-03 -2.668 -2.071 0.597 31.73 - NaOH 5.138e-13 1.022e-12 -12.289 -11.990 0.299 (0) O(0) 7.346e-24 O2 3.673e-24 7.307e-24 -23.435 -23.136 0.299 30.40 @@ -284,18 +281,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.858 Charge balance - pe = 8.671 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 9192 + pe = 8.680 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 5°C) = 9191 Density (g/cm³) = 1.01154 Volume (L) = 0.99913 - Viscosity (mPa s) = 1.58175 + Viscosity (mPa s) = 1.58197 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.979e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 5.00 - Electrical balance (eq) = -3.788e-10 + Electrical balance (eq) = -2.742e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110195e+02 @@ -310,7 +307,7 @@ Using temperature 1. H+ 1.759e-12 1.385e-12 -11.755 -11.858 -0.104 0.00 H2O 5.551e+01 9.949e-01 1.744 -0.002 0.000 18.02 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -145.249 -145.219 0.030 33.36 + CH4 0.000e+00 0.000e+00 -145.321 -145.291 0.030 33.36 C(4) 1.000e-01 CO3-2 9.803e-02 2.758e-02 -1.009 -1.559 -0.551 -5.45 HCO3- 1.880e-03 1.369e-03 -2.726 -2.864 -0.138 22.94 @@ -318,23 +315,22 @@ C(4) 1.000e-01 CO2 5.982e-09 6.259e-09 -8.223 -8.203 0.020 33.37 (CO2)2 3.198e-19 3.425e-19 -18.495 -18.465 0.030 66.74 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -44.146 -44.117 0.030 28.63 + H2 0.000e+00 0.000e+00 -44.164 -44.135 0.030 28.63 Na 2.000e-01 Na+ 1.999e-01 1.475e-01 -0.699 -0.831 -0.132 -2.17 NaHCO3 8.341e-05 9.567e-05 -4.079 -4.019 0.060 31.89 - NaOH 1.844e-14 1.975e-14 -13.734 -13.704 0.030 (0) -O(0) 1.591e-11 - O2 7.953e-12 8.518e-12 -11.099 -11.070 0.030 28.29 +O(0) 1.728e-11 + O2 8.638e-12 9.251e-12 -11.064 -11.034 0.030 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - CH4(g) -142.66 -145.22 -2.56 CH4 + CH4(g) -142.73 -145.29 -2.56 CH4 CO2(g) -7.01 -8.20 -1.19 CO2 - H2(g) -41.08 -44.12 -3.03 H2 + H2(g) -41.10 -44.13 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O - O2(g) -8.35 -11.07 -2.71 O2 + O2(g) -8.32 -11.03 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -354,18 +350,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.766 Charge balance - pe = 7.511 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 8°C) = 10199 + pe = 7.510 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 8°C) = 10198 Density (g/cm³) = 1.01124 Volume (L) = 0.99943 - Viscosity (mPa s) = 1.42862 + Viscosity (mPa s) = 1.42884 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.977e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 8.42 - Electrical balance (eq) = -3.778e-13 + Electrical balance (eq) = -3.779e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110195e+02 @@ -380,7 +376,7 @@ Using temperature 1. H+ 2.177e-12 1.712e-12 -11.662 -11.766 -0.104 0.00 H2O 5.551e+01 9.949e-01 1.744 -0.002 0.000 18.02 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -135.636 -135.606 0.030 33.80 + CH4 0.000e+00 0.000e+00 -135.628 -135.598 0.030 33.80 C(4) 1.000e-01 CO3-2 9.782e-02 2.738e-02 -1.010 -1.563 -0.553 -4.53 HCO3- 2.077e-03 1.510e-03 -2.683 -2.821 -0.138 23.51 @@ -388,19 +384,18 @@ C(4) 1.000e-01 CO2 7.489e-09 7.836e-09 -8.126 -8.106 0.020 33.57 (CO2)2 5.760e-19 6.169e-19 -18.240 -18.210 0.030 67.14 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.660 -41.630 0.030 28.63 + H2 0.000e+00 0.000e+00 -41.658 -41.628 0.030 28.63 Na 2.000e-01 Na+ 1.999e-01 1.473e-01 -0.699 -0.832 -0.133 -1.87 NaHCO3 1.026e-04 1.177e-04 -3.989 -3.929 0.060 31.87 - NaOH 2.040e-14 2.185e-14 -13.690 -13.661 0.030 (0) -O(0) 3.025e-15 - O2 1.513e-15 1.620e-15 -14.820 -14.790 0.030 28.75 +O(0) 2.998e-15 + O2 1.499e-15 1.606e-15 -14.824 -14.794 0.030 28.75 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(281 K, 1 atm) - CH4(g) -133.00 -135.61 -2.61 CH4 + CH4(g) -132.99 -135.60 -2.61 CH4 CO2(g) -6.86 -8.11 -1.25 CO2 H2(g) -38.58 -41.63 -3.05 H2 H2O(g) -1.96 -0.00 1.96 H2O @@ -424,18 +419,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.678 Charge balance - pe = 7.295 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 12°C) = 11247 + pe = 7.291 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 12°C) = 11246 Density (g/cm³) = 1.01080 Volume (L) = 0.99987 - Viscosity (mPa s) = 1.29761 + Viscosity (mPa s) = 1.29783 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.975e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 11.84 - Electrical balance (eq) = -1.939e-13 + Electrical balance (eq) = -1.940e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110195e+02 @@ -450,7 +445,7 @@ Using temperature 1. H+ 2.669e-12 2.097e-12 -11.574 -11.678 -0.105 0.00 H2O 5.551e+01 9.949e-01 1.744 -0.002 0.000 18.02 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -133.595 -133.566 0.030 34.19 + CH4 0.000e+00 0.000e+00 -133.566 -133.537 0.030 34.19 C(4) 1.000e-01 CO3-2 9.758e-02 2.717e-02 -1.011 -1.566 -0.555 -3.76 HCO3- 2.289e-03 1.663e-03 -2.640 -2.779 -0.139 24.00 @@ -458,23 +453,22 @@ C(4) 1.000e-01 CO2 9.357e-09 9.790e-09 -8.029 -8.009 0.020 33.76 (CO2)2 1.028e-18 1.101e-18 -17.988 -17.958 0.030 67.52 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.067 -41.037 0.030 28.62 + H2 0.000e+00 0.000e+00 -41.060 -41.030 0.030 28.62 Na 2.000e-01 Na+ 1.999e-01 1.470e-01 -0.699 -0.833 -0.133 -1.60 NaHCO3 1.256e-04 1.440e-04 -3.901 -3.842 0.059 31.84 - NaOH 2.253e-14 2.413e-14 -13.647 -13.617 0.030 (0) -O(0) 3.300e-15 - O2 1.650e-15 1.767e-15 -14.783 -14.753 0.030 29.16 +O(0) 3.192e-15 + O2 1.596e-15 1.709e-15 -14.797 -14.767 0.030 29.16 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(284 K, 1 atm) - CH4(g) -130.91 -133.57 -2.66 CH4 + CH4(g) -130.88 -133.54 -2.66 CH4 CO2(g) -6.71 -8.01 -1.30 CO2 - H2(g) -37.98 -41.04 -3.06 H2 + H2(g) -37.97 -41.03 -3.06 H2 H2O(g) -1.86 -0.00 1.86 H2O - O2(g) -11.97 -14.75 -2.78 O2 + O2(g) -11.98 -14.77 -2.78 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -495,17 +489,17 @@ Using temperature 1. pH = 11.594 Charge balance pe = 7.363 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 12334 + Specific Conductance (µS/cm, 15°C) = 12333 Density (g/cm³) = 1.01022 Volume (L) = 1.00044 - Viscosity (mPa s) = 1.18463 + Viscosity (mPa s) = 1.18485 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.972e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 15.26 - Electrical balance (eq) = -7.499e-10 + Electrical balance (eq) = -7.485e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110195e+02 @@ -532,9 +526,8 @@ H(0) 0.000e+00 Na 2.000e-01 Na+ 1.998e-01 1.468e-01 -0.699 -0.833 -0.134 -1.36 NaHCO3 1.530e-04 1.755e-04 -3.815 -3.756 0.059 31.81 - NaOH 2.485e-14 2.661e-14 -13.605 -13.575 0.030 (0) -O(0) 4.793e-14 - O2 2.397e-14 2.566e-14 -13.620 -13.591 0.030 29.53 +O(0) 4.791e-14 + O2 2.396e-14 2.565e-14 -13.621 -13.591 0.030 29.53 ------------------------------Saturation indices------------------------------- @@ -564,18 +557,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.514 Charge balance - pe = 7.485 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 19°C) = 13458 + pe = 7.488 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 19°C) = 13457 Density (g/cm³) = 1.00952 Volume (L) = 1.00113 - Viscosity (mPa s) = 1.08651 + Viscosity (mPa s) = 1.08673 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.969e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 18.68 - Electrical balance (eq) = -2.619e-13 + Electrical balance (eq) = -1.892e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110195e+02 @@ -590,7 +583,7 @@ Using temperature 1. H+ 3.906e-12 3.063e-12 -11.408 -11.514 -0.106 0.00 H2O 5.551e+01 9.949e-01 1.744 -0.002 0.000 18.04 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -134.577 -134.548 0.030 34.89 + CH4 0.000e+00 0.000e+00 -134.602 -134.573 0.030 34.89 C(4) 1.000e-01 CO3-2 9.705e-02 2.672e-02 -1.013 -1.573 -0.560 -2.57 HCO3- 2.766e-03 2.004e-03 -2.558 -2.698 -0.140 24.78 @@ -598,23 +591,22 @@ C(4) 1.000e-01 CO2 1.451e-08 1.518e-08 -7.838 -7.819 0.020 34.12 (CO2)2 3.180e-18 3.405e-18 -17.498 -17.468 0.030 68.24 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.150 -41.120 0.030 28.61 + H2 0.000e+00 0.000e+00 -41.156 -41.127 0.030 28.61 Na 2.000e-01 Na+ 1.998e-01 1.465e-01 -0.699 -0.834 -0.135 -1.15 NaHCO3 1.857e-04 2.129e-04 -3.731 -3.672 0.059 31.79 - NaOH 2.735e-14 2.929e-14 -13.563 -13.533 0.030 (0) -O(0) 1.109e-12 - O2 5.547e-13 5.939e-13 -12.256 -12.226 0.030 29.86 +O(0) 1.142e-12 + O2 5.708e-13 6.112e-13 -12.243 -12.214 0.030 29.86 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(291 K, 1 atm) - CH4(g) -131.81 -134.55 -2.74 CH4 + CH4(g) -131.83 -134.57 -2.74 CH4 CO2(g) -6.43 -7.82 -1.39 CO2 - H2(g) -38.04 -41.12 -3.08 H2 + H2(g) -38.04 -41.13 -3.08 H2 H2O(g) -1.67 -0.00 1.67 H2O - O2(g) -9.38 -12.23 -2.84 O2 + O2(g) -9.37 -12.21 -2.84 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -634,18 +626,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.437 Charge balance - pe = 6.632 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 22°C) = 14619 + pe = 6.628 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 22°C) = 14617 Density (g/cm³) = 1.00871 Volume (L) = 1.00194 - Viscosity (mPa s) = 1.00073 + Viscosity (mPa s) = 1.00095 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.965e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 22.11 - Electrical balance (eq) = -1.103e-13 + Electrical balance (eq) = -1.104e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -660,31 +652,30 @@ Using temperature 1. H+ 4.667e-12 3.656e-12 -11.331 -11.437 -0.106 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.06 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -127.516 -127.486 0.030 35.20 + CH4 0.000e+00 0.000e+00 -127.483 -127.453 0.030 35.20 C(4) 1.000e-01 CO3-2 9.674e-02 2.648e-02 -1.014 -1.577 -0.563 -2.11 HCO3- 3.032e-03 2.193e-03 -2.518 -2.659 -0.141 25.10 NaHCO3 2.242e-04 2.571e-04 -3.649 -3.590 0.059 31.75 CO2 1.800e-08 1.883e-08 -7.745 -7.725 0.020 34.29 (CO2)2 5.514e-18 5.904e-18 -17.259 -17.229 0.030 68.58 -H(0) 9.912e-40 - H2 4.956e-40 5.306e-40 -39.305 -39.275 0.030 28.61 +H(0) 1.010e-39 + H2 5.050e-40 5.407e-40 -39.297 -39.267 0.030 28.61 Na 2.000e-01 Na+ 1.998e-01 1.462e-01 -0.699 -0.835 -0.136 -0.96 NaHCO3 2.242e-04 2.571e-04 -3.649 -3.590 0.059 31.75 - NaOH 3.006e-14 3.219e-14 -13.522 -13.492 0.030 (0) -O(0) 3.119e-15 - O2 1.559e-15 1.670e-15 -14.807 -14.777 0.030 30.17 +O(0) 3.003e-15 + O2 1.502e-15 1.608e-15 -14.823 -14.794 0.030 30.17 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(295 K, 1 atm) - CH4(g) -124.71 -127.49 -2.77 CH4 + CH4(g) -124.68 -127.45 -2.77 CH4 CO2(g) -6.29 -7.73 -1.43 CO2 - H2(g) -36.18 -39.28 -3.09 H2 + H2(g) -36.17 -39.27 -3.09 H2 H2O(g) -1.58 -0.00 1.58 H2O - O2(g) -11.91 -14.78 -2.87 O2 + O2(g) -11.92 -14.79 -2.87 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -704,11 +695,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.364 Charge balance - pe = 6.455 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 26°C) = 15813 + pe = 6.454 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 26°C) = 15811 Density (g/cm³) = 1.00778 Volume (L) = 1.00286 - Viscosity (mPa s) = 0.92529 + Viscosity (mPa s) = 0.92551 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.961e-01 Mass of water (kg) = 1.000e+00 @@ -730,27 +721,26 @@ Using temperature 1. H+ 5.532e-12 4.330e-12 -11.257 -11.364 -0.106 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -125.887 -125.857 0.030 35.50 + CH4 0.000e+00 0.000e+00 -125.882 -125.852 0.030 35.50 C(4) 1.000e-01 CO3-2 9.641e-02 2.623e-02 -1.016 -1.581 -0.565 -1.74 HCO3- 3.318e-03 2.396e-03 -2.479 -2.620 -0.141 25.36 NaHCO3 2.697e-04 3.091e-04 -3.569 -3.510 0.059 31.72 CO2 2.227e-08 2.330e-08 -7.652 -7.633 0.020 34.46 (CO2)2 9.468e-18 1.014e-17 -17.024 -16.994 0.030 68.92 -H(0) 3.035e-39 - H2 1.518e-39 1.625e-39 -38.819 -38.789 0.030 28.61 +H(0) 3.044e-39 + H2 1.522e-39 1.630e-39 -38.818 -38.788 0.030 28.61 Na 2.000e-01 Na+ 1.997e-01 1.459e-01 -0.700 -0.836 -0.136 -0.79 NaHCO3 2.697e-04 3.091e-04 -3.569 -3.510 0.059 31.72 - NaOH 3.299e-14 3.532e-14 -13.482 -13.452 0.030 (0) -O(0) 4.315e-15 - O2 2.157e-15 2.310e-15 -14.666 -14.636 0.030 30.44 +O(0) 4.289e-15 + O2 2.145e-15 2.296e-15 -14.669 -14.639 0.030 30.44 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - CH4(g) -123.05 -125.86 -2.81 CH4 + CH4(g) -123.05 -125.85 -2.81 CH4 CO2(g) -6.16 -7.63 -1.47 CO2 H2(g) -35.69 -38.79 -3.10 H2 H2O(g) -1.49 -0.00 1.49 H2O @@ -775,17 +765,17 @@ Using temperature 1. pH = 11.293 Charge balance pe = 6.370 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 29°C) = 17040 + Specific Conductance (µS/cm, 29°C) = 17038 Density (g/cm³) = 1.00676 Volume (L) = 1.00388 - Viscosity (mPa s) = 0.85858 + Viscosity (mPa s) = 0.85880 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.957e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 28.95 - Electrical balance (eq) = -4.681e-12 + Electrical balance (eq) = -4.672e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -800,27 +790,26 @@ Using temperature 1. H+ 6.510e-12 5.089e-12 -11.186 -11.293 -0.107 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.09 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -125.018 -124.988 0.030 35.78 + CH4 0.000e+00 0.000e+00 -125.014 -124.984 0.030 35.78 C(4) 1.000e-01 CO3-2 9.605e-02 2.597e-02 -1.017 -1.586 -0.568 -1.44 HCO3- 3.624e-03 2.613e-03 -2.441 -2.583 -0.142 25.59 NaHCO3 3.230e-04 3.702e-04 -3.491 -3.432 0.059 31.69 CO2 2.749e-08 2.875e-08 -7.561 -7.541 0.020 34.62 (CO2)2 1.610e-17 1.723e-17 -16.793 -16.764 0.030 69.25 -H(0) 5.989e-39 - H2 2.994e-39 3.205e-39 -38.524 -38.494 0.030 28.60 +H(0) 6.003e-39 + H2 3.002e-39 3.213e-39 -38.523 -38.493 0.030 28.60 Na 2.000e-01 Na+ 1.997e-01 1.456e-01 -0.700 -0.837 -0.137 -0.64 NaHCO3 3.230e-04 3.702e-04 -3.491 -3.432 0.059 31.69 - NaOH 3.615e-14 3.870e-14 -13.442 -13.412 0.030 (0) -O(0) 1.357e-14 - O2 6.783e-15 7.261e-15 -14.169 -14.139 0.030 30.70 +O(0) 1.350e-14 + O2 6.751e-15 7.226e-15 -14.171 -14.141 0.030 30.70 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(302 K, 1 atm) - CH4(g) -122.15 -124.99 -2.84 CH4 + CH4(g) -122.15 -124.98 -2.84 CH4 CO2(g) -6.03 -7.54 -1.51 CO2 H2(g) -35.38 -38.49 -3.11 H2 H2O(g) -1.41 -0.00 1.40 H2O @@ -845,17 +834,17 @@ Using temperature 1. pH = 11.226 Charge balance pe = 6.414 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 32°C) = 18298 + Specific Conductance (µS/cm, 32°C) = 18296 Density (g/cm³) = 1.00564 Volume (L) = 1.00499 - Viscosity (mPa s) = 0.79930 + Viscosity (mPa s) = 0.79953 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.953e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 32.37 - Electrical balance (eq) = -2.243e-10 + Electrical balance (eq) = -2.245e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -877,14 +866,13 @@ C(4) 1.000e-01 NaHCO3 3.853e-04 4.415e-04 -3.414 -3.355 0.059 31.65 CO2 3.383e-08 3.539e-08 -7.471 -7.451 0.019 34.79 (CO2)2 2.711e-17 2.902e-17 -16.567 -16.537 0.030 69.58 -H(0) 6.465e-39 - H2 3.232e-39 3.460e-39 -38.490 -38.461 0.030 28.60 +H(0) 6.466e-39 + H2 3.233e-39 3.461e-39 -38.490 -38.461 0.030 28.60 Na 2.000e-01 Na+ 1.996e-01 1.453e-01 -0.700 -0.838 -0.138 -0.50 NaHCO3 3.853e-04 4.415e-04 -3.414 -3.355 0.059 31.65 - NaOH 3.955e-14 4.234e-14 -13.403 -13.373 0.030 (0) O(0) 1.347e-13 - O2 6.737e-14 7.211e-14 -13.172 -13.142 0.030 30.93 + O2 6.734e-14 7.208e-14 -13.172 -13.142 0.030 30.93 ------------------------------Saturation indices------------------------------- @@ -914,18 +902,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.162 Charge balance - pe = 6.330 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 36°C) = 19586 + pe = 6.326 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 36°C) = 19582 Density (g/cm³) = 1.00443 Volume (L) = 1.00620 - Viscosity (mPa s) = 0.74638 + Viscosity (mPa s) = 0.74663 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.948e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 35.79 - Electrical balance (eq) = -1.275e-12 + Electrical balance (eq) = -8.671e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -940,31 +928,30 @@ Using temperature 1. H+ 8.826e-12 6.883e-12 -11.054 -11.162 -0.108 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.13 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -124.374 -124.345 0.029 36.31 + CH4 0.000e+00 0.000e+00 -124.338 -124.309 0.029 36.31 C(4) 1.000e-01 CO3-2 9.524e-02 2.542e-02 -1.021 -1.595 -0.574 -1.02 HCO3- 4.300e-03 3.090e-03 -2.367 -2.510 -0.143 25.94 NaHCO3 4.578e-04 5.244e-04 -3.339 -3.280 0.059 31.61 CO2 4.153e-08 4.343e-08 -7.382 -7.362 0.019 34.96 (CO2)2 4.522e-17 4.839e-17 -16.345 -16.315 0.029 69.91 -H(0) 1.234e-38 - H2 6.170e-39 6.603e-39 -38.210 -38.180 0.029 28.60 +H(0) 1.260e-38 + H2 6.299e-39 6.742e-39 -38.201 -38.171 0.029 28.60 Na 2.000e-01 Na+ 1.995e-01 1.449e-01 -0.700 -0.839 -0.139 -0.37 NaHCO3 4.578e-04 5.244e-04 -3.339 -3.280 0.059 31.61 - NaOH 4.321e-14 4.625e-14 -13.364 -13.335 0.029 (0) -O(0) 4.055e-13 - O2 2.027e-13 2.170e-13 -12.693 -12.664 0.029 31.15 +O(0) 3.890e-13 + O2 1.945e-13 2.082e-13 -12.711 -12.682 0.029 31.15 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(308 K, 1 atm) - CH4(g) -121.46 -124.35 -2.89 CH4 + CH4(g) -121.42 -124.31 -2.89 CH4 CO2(g) -5.78 -7.36 -1.58 CO2 - H2(g) -35.06 -38.18 -3.12 H2 + H2(g) -35.05 -38.17 -3.12 H2 H2O(g) -1.24 -0.00 1.24 H2O - O2(g) -9.70 -12.66 -2.96 O2 + O2(g) -9.72 -12.68 -2.96 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -984,18 +971,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.101 Charge balance - pe = 5.600 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 39°C) = 20900 + pe = 5.599 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 39°C) = 20896 Density (g/cm³) = 1.00313 Volume (L) = 1.00751 - Viscosity (mPa s) = 0.69896 + Viscosity (mPa s) = 0.69921 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.943e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 39.21 - Electrical balance (eq) = -3.179e-13 + Electrical balance (eq) = -3.178e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -1010,31 +997,30 @@ Using temperature 1. H+ 1.017e-11 7.925e-12 -10.992 -11.101 -0.109 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.15 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -118.399 -118.370 0.029 36.56 + CH4 0.000e+00 0.000e+00 -118.385 -118.356 0.029 36.56 C(4) 1.000e-01 CO3-2 9.479e-02 2.512e-02 -1.023 -1.600 -0.577 -0.89 HCO3- 4.671e-03 3.352e-03 -2.331 -2.475 -0.144 26.07 NaHCO3 5.419e-04 6.205e-04 -3.266 -3.207 0.059 31.57 CO2 5.083e-08 5.316e-08 -7.294 -7.274 0.019 35.12 (CO2)2 7.469e-17 7.993e-17 -16.127 -16.097 0.029 70.24 -H(0) 4.575e-37 - H2 2.287e-37 2.448e-37 -36.641 -36.611 0.029 28.59 +H(0) 4.612e-37 + H2 2.306e-37 2.467e-37 -36.637 -36.608 0.029 28.59 Na 2.000e-01 Na+ 1.995e-01 1.446e-01 -0.700 -0.840 -0.140 -0.25 NaHCO3 5.419e-04 6.205e-04 -3.266 -3.207 0.059 31.57 - NaOH 4.714e-14 5.045e-14 -13.327 -13.297 0.029 (0) -O(0) 3.069e-15 - O2 1.534e-15 1.642e-15 -14.814 -14.785 0.029 31.35 +O(0) 3.020e-15 + O2 1.510e-15 1.616e-15 -14.821 -14.792 0.029 31.35 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(312 K, 1 atm) - CH4(g) -115.46 -118.37 -2.91 CH4 + CH4(g) -115.45 -118.36 -2.91 CH4 CO2(g) -5.66 -7.27 -1.62 CO2 H2(g) -33.48 -36.61 -3.13 H2 H2O(g) -1.16 -0.00 1.16 H2O - O2(g) -11.80 -14.78 -2.98 O2 + O2(g) -11.81 -14.79 -2.98 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1054,11 +1040,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.043 Charge balance - pe = 5.404 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 43°C) = 22240 + pe = 5.401 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 43°C) = 22236 Density (g/cm³) = 1.00175 Volume (L) = 1.00889 - Viscosity (mPa s) = 0.65629 + Viscosity (mPa s) = 0.65655 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.937e-01 Mass of water (kg) = 1.000e+00 @@ -1080,31 +1066,30 @@ Using temperature 1. H+ 1.166e-11 9.066e-12 -10.933 -11.043 -0.109 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.18 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -116.711 -116.682 0.029 36.81 + CH4 0.000e+00 0.000e+00 -116.690 -116.661 0.029 36.81 C(4) 1.000e-01 CO3-2 9.430e-02 2.482e-02 -1.025 -1.605 -0.580 -0.81 HCO3- 5.066e-03 3.629e-03 -2.295 -2.440 -0.145 26.18 NaHCO3 6.389e-04 7.314e-04 -3.195 -3.136 0.059 31.52 CO2 6.204e-08 6.487e-08 -7.207 -7.188 0.019 35.29 (CO2)2 1.222e-16 1.307e-16 -15.913 -15.884 0.029 70.58 -H(0) 1.435e-36 - H2 7.175e-37 7.677e-37 -36.144 -36.115 0.029 28.59 +H(0) 1.452e-36 + H2 7.262e-37 7.770e-37 -36.139 -36.110 0.029 28.59 Na 2.000e-01 Na+ 1.994e-01 1.442e-01 -0.700 -0.841 -0.141 -0.14 NaHCO3 6.389e-04 7.314e-04 -3.195 -3.136 0.059 31.52 - NaOH 5.136e-14 5.495e-14 -13.289 -13.260 0.029 (0) -O(0) 3.084e-15 - O2 1.542e-15 1.650e-15 -14.812 -14.783 0.029 31.55 +O(0) 3.011e-15 + O2 1.505e-15 1.611e-15 -14.822 -14.793 0.029 31.55 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(315 K, 1 atm) - CH4(g) -113.76 -116.68 -2.93 CH4 + CH4(g) -113.73 -116.66 -2.93 CH4 CO2(g) -5.54 -7.19 -1.65 CO2 H2(g) -32.98 -36.11 -3.13 H2 H2O(g) -1.08 -0.00 1.08 H2O - O2(g) -11.78 -14.78 -3.00 O2 + O2(g) -11.80 -14.79 -3.00 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1124,18 +1109,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.987 Charge balance - pe = 5.290 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 46°C) = 23604 + pe = 5.288 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 46°C) = 23599 Density (g/cm³) = 1.00030 Volume (L) = 1.01036 - Viscosity (mPa s) = 0.61777 + Viscosity (mPa s) = 0.61804 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.930e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 46.05 - Electrical balance (eq) = -2.667e-11 + Electrical balance (eq) = -2.658e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -1150,31 +1135,30 @@ Using temperature 1. H+ 1.327e-11 1.031e-11 -10.877 -10.987 -0.110 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.20 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -115.701 -115.671 0.029 37.05 + CH4 0.000e+00 0.000e+00 -115.687 -115.657 0.029 37.05 C(4) 1.000e-01 CO3-2 9.377e-02 2.451e-02 -1.028 -1.611 -0.583 -0.77 HCO3- 5.485e-03 3.922e-03 -2.261 -2.407 -0.146 26.26 NaHCO3 7.505e-04 8.589e-04 -3.125 -3.066 0.059 31.47 CO2 7.551e-08 7.895e-08 -7.122 -7.103 0.019 35.46 (CO2)2 1.980e-16 2.118e-16 -15.703 -15.674 0.029 70.92 -H(0) 3.042e-36 - H2 1.521e-36 1.627e-36 -35.818 -35.789 0.029 28.59 +H(0) 3.067e-36 + H2 1.533e-36 1.640e-36 -35.814 -35.785 0.029 28.59 Na 2.000e-01 Na+ 1.993e-01 1.438e-01 -0.701 -0.842 -0.142 -0.04 NaHCO3 7.505e-04 8.589e-04 -3.125 -3.066 0.059 31.47 - NaOH 5.587e-14 5.977e-14 -13.253 -13.224 0.029 (0) -O(0) 6.464e-15 - O2 3.232e-15 3.457e-15 -14.491 -14.461 0.029 31.73 +O(0) 6.359e-15 + O2 3.180e-15 3.402e-15 -14.498 -14.468 0.029 31.73 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(319 K, 1 atm) - CH4(g) -112.73 -115.67 -2.94 CH4 + CH4(g) -112.71 -115.66 -2.94 CH4 CO2(g) -5.42 -7.10 -1.68 CO2 H2(g) -32.65 -35.79 -3.13 H2 H2O(g) -1.00 -0.00 1.00 H2O - O2(g) -11.45 -14.46 -3.01 O2 + O2(g) -11.45 -14.47 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1194,18 +1178,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.933 Charge balance - pe = 5.294 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 49°C) = 24989 + pe = 5.292 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 49°C) = 24983 Density (g/cm³) = 0.99876 Volume (L) = 1.01192 - Viscosity (mPa s) = 0.58288 + Viscosity (mPa s) = 0.58316 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.923e-01 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 49.47 - Electrical balance (eq) = -1.307e-10 + Electrical balance (eq) = -1.258e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -1220,31 +1204,30 @@ Using temperature 1. H+ 1.503e-11 1.166e-11 -10.823 -10.933 -0.110 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.23 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -115.645 -115.616 0.029 37.29 + CH4 0.000e+00 0.000e+00 -115.634 -115.605 0.029 37.29 C(4) 1.000e-01 CO3-2 9.320e-02 2.418e-02 -1.031 -1.617 -0.586 -0.78 HCO3- 5.929e-03 4.232e-03 -2.227 -2.374 -0.146 26.31 NaHCO3 8.784e-04 1.005e-03 -3.056 -2.998 0.058 31.43 CO2 9.163e-08 9.579e-08 -7.038 -7.019 0.019 35.63 (CO2)2 3.179e-16 3.400e-16 -15.498 -15.468 0.029 71.27 -H(0) 3.715e-36 - H2 1.858e-36 1.987e-36 -35.731 -35.702 0.029 28.59 +H(0) 3.737e-36 + H2 1.869e-36 1.999e-36 -35.728 -35.699 0.029 28.59 Na 2.000e-01 Na+ 1.991e-01 1.434e-01 -0.701 -0.843 -0.143 0.05 NaHCO3 8.784e-04 1.005e-03 -3.056 -2.998 0.058 31.43 - NaOH 6.069e-14 6.492e-14 -13.217 -13.188 0.029 (0) -O(0) 3.891e-14 - O2 1.945e-14 2.081e-14 -13.711 -13.682 0.029 31.90 +O(0) 3.845e-14 + O2 1.922e-14 2.056e-14 -13.716 -13.687 0.029 31.90 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(322 K, 1 atm) - CH4(g) -112.66 -115.62 -2.96 CH4 + CH4(g) -112.65 -115.61 -2.96 CH4 CO2(g) -5.31 -7.02 -1.71 CO2 - H2(g) -32.57 -35.70 -3.14 H2 + H2(g) -32.56 -35.70 -3.14 H2 H2O(g) -0.93 -0.00 0.93 H2O - O2(g) -10.65 -13.68 -3.03 O2 + O2(g) -10.66 -13.69 -3.03 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1264,18 +1247,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.883 Charge balance - pe = 5.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 53°C) = 26394 + pe = 5.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 53°C) = 26387 Density (g/cm³) = 0.99716 Volume (L) = 1.01355 - Viscosity (mPa s) = 0.55119 + Viscosity (mPa s) = 0.55148 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.916e-01 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 52.89 - Electrical balance (eq) = -5.546e-12 + Electrical balance (eq) = -4.470e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -1290,31 +1273,30 @@ Using temperature 1. H+ 1.692e-11 1.311e-11 -10.772 -10.883 -0.111 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.26 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -114.761 -114.732 0.029 37.53 + CH4 0.000e+00 0.000e+00 -114.716 -114.687 0.029 37.53 C(4) 1.000e-01 CO3-2 9.258e-02 2.384e-02 -1.033 -1.623 -0.589 -0.83 HCO3- 6.398e-03 4.558e-03 -2.194 -2.341 -0.147 26.35 NaHCO3 1.024e-03 1.172e-03 -2.990 -2.931 0.058 31.37 CO2 1.109e-07 1.159e-07 -6.955 -6.936 0.019 35.81 (CO2)2 5.056e-16 5.407e-16 -15.296 -15.267 0.029 71.62 -H(0) 7.294e-36 - H2 3.647e-36 3.900e-36 -35.438 -35.409 0.029 28.59 +H(0) 7.486e-36 + H2 3.743e-36 4.003e-36 -35.427 -35.398 0.029 28.59 Na 2.000e-01 Na+ 1.990e-01 1.430e-01 -0.701 -0.845 -0.144 0.14 NaHCO3 1.024e-03 1.172e-03 -2.990 -2.931 0.058 31.37 - NaOH 6.584e-14 7.041e-14 -13.182 -13.152 0.029 (0) -O(0) 8.655e-14 - O2 4.328e-14 4.628e-14 -13.364 -13.335 0.029 32.06 +O(0) 8.218e-14 + O2 4.109e-14 4.394e-14 -13.386 -13.357 0.029 32.06 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(326 K, 1 atm) - CH4(g) -111.76 -114.73 -2.97 CH4 + CH4(g) -111.72 -114.69 -2.97 CH4 CO2(g) -5.20 -6.94 -1.73 CO2 - H2(g) -32.27 -35.41 -3.14 H2 + H2(g) -32.26 -35.40 -3.14 H2 H2O(g) -0.86 -0.00 0.85 H2O - O2(g) -10.29 -13.33 -3.04 O2 + O2(g) -10.32 -13.36 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1334,11 +1316,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.834 Charge balance - pe = 4.645 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 56°C) = 27816 + pe = 4.642 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 56°C) = 27808 Density (g/cm³) = 0.99548 Volume (L) = 1.01525 - Viscosity (mPa s) = 0.52231 + Viscosity (mPa s) = 0.52263 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.908e-01 Mass of water (kg) = 9.999e-01 @@ -1360,31 +1342,30 @@ Using temperature 1. H+ 1.894e-11 1.466e-11 -10.723 -10.834 -0.111 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.29 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -110.336 -110.307 0.029 37.77 + CH4 0.000e+00 0.000e+00 -110.305 -110.276 0.029 37.77 C(4) 1.000e-01 CO3-2 9.192e-02 2.350e-02 -1.037 -1.629 -0.592 -0.92 HCO3- 6.893e-03 4.901e-03 -2.162 -2.310 -0.148 26.36 NaHCO3 1.191e-03 1.361e-03 -2.924 -2.866 0.058 31.32 CO2 1.338e-07 1.398e-07 -6.874 -6.854 0.019 35.99 (CO2)2 7.967e-16 8.519e-16 -15.099 -15.070 0.029 71.98 -H(0) 1.098e-34 - H2 5.489e-35 5.870e-35 -34.260 -34.231 0.029 28.58 +H(0) 1.118e-34 + H2 5.588e-35 5.975e-35 -34.253 -34.224 0.029 28.58 Na 2.000e-01 Na+ 1.988e-01 1.425e-01 -0.702 -0.846 -0.145 0.22 NaHCO3 1.191e-03 1.361e-03 -2.924 -2.866 0.058 31.32 - NaOH 7.133e-14 7.627e-14 -13.147 -13.118 0.029 (0) -O(0) 3.133e-15 - O2 1.566e-15 1.675e-15 -14.805 -14.776 0.029 32.22 +O(0) 3.023e-15 + O2 1.512e-15 1.616e-15 -14.821 -14.792 0.029 32.22 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(329 K, 1 atm) - CH4(g) -107.33 -110.31 -2.98 CH4 + CH4(g) -107.30 -110.28 -2.98 CH4 CO2(g) -5.10 -6.85 -1.76 CO2 - H2(g) -31.09 -34.23 -3.14 H2 + H2(g) -31.08 -34.22 -3.14 H2 H2O(g) -0.79 -0.00 0.78 H2O - O2(g) -11.72 -14.78 -3.05 O2 + O2(g) -11.74 -14.79 -3.05 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1404,18 +1385,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.788 Charge balance - pe = 4.461 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 60°C) = 29253 + pe = 4.460 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 60°C) = 29244 Density (g/cm³) = 0.99373 Volume (L) = 1.01704 - Viscosity (mPa s) = 0.49595 + Viscosity (mPa s) = 0.49627 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.899e-01 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 59.74 - Electrical balance (eq) = -2.791e-13 + Electrical balance (eq) = -2.793e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -1430,31 +1411,30 @@ Using temperature 1. H+ 2.111e-11 1.631e-11 -10.676 -10.788 -0.112 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.32 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -108.817 -108.788 0.029 38.00 + CH4 0.000e+00 0.000e+00 -108.809 -108.780 0.029 38.00 C(4) 1.000e-01 CO3-2 9.122e-02 2.314e-02 -1.040 -1.636 -0.596 -1.05 HCO3- 7.413e-03 5.261e-03 -2.130 -2.279 -0.149 26.35 NaHCO3 1.379e-03 1.576e-03 -2.861 -2.803 0.058 31.26 CO2 1.609e-07 1.682e-07 -6.793 -6.774 0.019 36.18 (CO2)2 1.244e-15 1.330e-15 -14.905 -14.876 0.029 72.35 -H(0) 3.097e-34 - H2 1.549e-34 1.656e-34 -33.810 -33.781 0.029 28.58 +H(0) 3.111e-34 + H2 1.556e-34 1.663e-34 -33.808 -33.779 0.029 28.58 Na 2.000e-01 Na+ 1.986e-01 1.421e-01 -0.702 -0.848 -0.146 0.30 NaHCO3 1.379e-03 1.576e-03 -2.861 -2.803 0.058 31.26 - NaOH 7.717e-14 8.249e-14 -13.113 -13.084 0.029 (0) -O(0) 3.092e-15 - O2 1.546e-15 1.653e-15 -14.811 -14.782 0.029 32.37 +O(0) 3.065e-15 + O2 1.532e-15 1.638e-15 -14.815 -14.786 0.029 32.37 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(332 K, 1 atm) - CH4(g) -105.80 -108.79 -2.99 CH4 + CH4(g) -105.79 -108.78 -2.99 CH4 CO2(g) -4.99 -6.77 -1.78 CO2 H2(g) -30.64 -33.78 -3.14 H2 H2O(g) -0.72 -0.00 0.71 H2O - O2(g) -11.72 -14.78 -3.06 O2 + O2(g) -11.72 -14.79 -3.06 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1474,18 +1454,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.743 Charge balance - pe = 4.280 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 63°C) = 30703 + pe = 4.275 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 63°C) = 30692 Density (g/cm³) = 0.99192 Volume (L) = 1.01889 - Viscosity (mPa s) = 0.47180 + Viscosity (mPa s) = 0.47215 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.889e-01 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 63.16 - Electrical balance (eq) = -9.031e-13 + Electrical balance (eq) = -9.036e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -1500,31 +1480,30 @@ Using temperature 1. H+ 2.340e-11 1.805e-11 -10.631 -10.743 -0.113 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.35 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -107.344 -107.315 0.029 38.24 + CH4 0.000e+00 0.000e+00 -107.308 -107.279 0.029 38.24 C(4) 1.000e-01 CO3-2 9.046e-02 2.277e-02 -1.044 -1.643 -0.599 -1.21 HCO3- 7.961e-03 5.638e-03 -2.099 -2.249 -0.150 26.33 NaHCO3 1.591e-03 1.818e-03 -2.798 -2.740 0.058 31.20 CO2 1.930e-07 2.017e-07 -6.714 -6.695 0.019 36.37 (CO2)2 1.925e-15 2.058e-15 -14.715 -14.687 0.029 72.74 -H(0) 8.496e-34 - H2 4.248e-34 4.540e-34 -33.372 -33.343 0.029 28.58 +H(0) 8.672e-34 + H2 4.336e-34 4.634e-34 -33.363 -33.334 0.029 28.58 Na 2.000e-01 Na+ 1.984e-01 1.416e-01 -0.702 -0.849 -0.147 0.37 NaHCO3 1.591e-03 1.818e-03 -2.798 -2.740 0.058 31.20 - NaOH 8.337e-14 8.910e-14 -13.079 -13.050 0.029 (0) -O(0) 3.096e-15 - O2 1.548e-15 1.654e-15 -14.810 -14.781 0.029 32.51 +O(0) 2.971e-15 + O2 1.485e-15 1.588e-15 -14.828 -14.799 0.029 32.51 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(336 K, 1 atm) - CH4(g) -104.32 -107.31 -3.00 CH4 + CH4(g) -104.28 -107.28 -3.00 CH4 CO2(g) -4.89 -6.70 -1.80 CO2 - H2(g) -30.20 -33.34 -3.14 H2 + H2(g) -30.20 -33.33 -3.14 H2 H2O(g) -0.65 -0.00 0.65 H2O - O2(g) -11.71 -14.78 -3.07 O2 + O2(g) -11.73 -14.80 -3.07 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1544,11 +1523,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.701 Charge balance - pe = 4.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 67°C) = 32164 + pe = 4.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 67°C) = 32151 Density (g/cm³) = 0.99005 Volume (L) = 1.02082 - Viscosity (mPa s) = 0.44964 + Viscosity (mPa s) = 0.45001 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.878e-01 Mass of water (kg) = 9.999e-01 @@ -1570,31 +1549,30 @@ Using temperature 1. H+ 2.582e-11 1.989e-11 -10.588 -10.701 -0.113 0.00 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.39 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -106.471 -106.442 0.029 38.48 + CH4 0.000e+00 0.000e+00 -106.454 -106.425 0.029 38.48 C(4) 1.000e-01 CO3-2 8.965e-02 2.239e-02 -1.047 -1.650 -0.603 -1.41 HCO3- 8.534e-03 6.033e-03 -2.069 -2.219 -0.151 26.28 NaHCO3 1.831e-03 2.090e-03 -2.737 -2.680 0.058 31.14 CO2 2.308e-07 2.412e-07 -6.637 -6.618 0.019 36.56 (CO2)2 2.953e-15 3.156e-15 -14.530 -14.501 0.029 73.13 -H(0) 1.647e-33 - H2 8.233e-34 8.797e-34 -33.084 -33.056 0.029 28.58 +H(0) 1.663e-33 + H2 8.313e-34 8.883e-34 -33.080 -33.051 0.029 28.58 Na 2.000e-01 Na+ 1.982e-01 1.411e-01 -0.703 -0.851 -0.148 0.43 NaHCO3 1.831e-03 2.090e-03 -2.737 -2.680 0.058 31.14 - NaOH 8.994e-14 9.610e-14 -13.046 -13.017 0.029 (0) -O(0) 5.960e-15 - O2 2.980e-15 3.184e-15 -14.526 -14.497 0.029 32.66 +O(0) 5.846e-15 + O2 2.923e-15 3.123e-15 -14.534 -14.505 0.029 32.66 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(339 K, 1 atm) - CH4(g) -103.44 -106.44 -3.00 CH4 + CH4(g) -103.42 -106.43 -3.00 CH4 CO2(g) -4.79 -6.62 -1.83 CO2 - H2(g) -29.92 -33.06 -3.14 H2 + H2(g) -29.91 -33.05 -3.14 H2 H2O(g) -0.58 -0.00 0.58 H2O - O2(g) -11.42 -14.50 -3.08 O2 + O2(g) -11.42 -14.51 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1615,17 +1593,17 @@ Using temperature 1. pH = 10.661 Charge balance pe = 4.175 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 33632 + Specific Conductance (µS/cm, 70°C) = 33618 Density (g/cm³) = 0.98811 Volume (L) = 1.02283 - Viscosity (mPa s) = 0.42926 + Viscosity (mPa s) = 0.42965 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.867e-01 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 2.000e-01 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 70.00 - Electrical balance (eq) = -2.622e-11 + Electrical balance (eq) = -2.623e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110195e+02 @@ -1640,21 +1618,20 @@ Using temperature 1. H+ 2.837e-11 2.182e-11 -10.547 -10.661 -0.114 0.00 H2O 5.551e+01 9.947e-01 1.744 -0.002 0.000 18.43 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -106.489 -106.461 0.029 38.72 + CH4 0.000e+00 0.000e+00 -106.488 -106.459 0.029 38.72 C(4) 1.000e-01 CO3-2 8.878e-02 2.199e-02 -1.052 -1.658 -0.606 -1.64 HCO3- 9.134e-03 6.444e-03 -2.039 -2.191 -0.152 26.22 NaHCO3 2.099e-03 2.395e-03 -2.678 -2.621 0.057 31.07 CO2 2.753e-07 2.876e-07 -6.560 -6.541 0.019 36.77 (CO2)2 4.491e-15 4.797e-15 -14.348 -14.319 0.029 73.54 -H(0) 1.907e-33 - H2 9.537e-34 1.019e-33 -33.021 -32.992 0.029 28.58 +H(0) 1.909e-33 + H2 9.545e-34 1.020e-33 -33.020 -32.992 0.029 28.58 Na 2.000e-01 Na+ 1.979e-01 1.405e-01 -0.703 -0.852 -0.149 0.50 NaHCO3 2.099e-03 2.395e-03 -2.678 -2.621 0.057 31.07 - NaOH 9.690e-14 1.035e-13 -13.014 -12.985 0.029 (0) -O(0) 3.088e-14 - O2 1.544e-14 1.650e-14 -13.811 -13.783 0.029 32.79 +O(0) 3.084e-14 + O2 1.542e-14 1.647e-14 -13.812 -13.783 0.029 32.79 ------------------------------Saturation indices------------------------------- @@ -1699,20 +1676,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 12.106 Charge balance - pe = -6.575 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 32271 + pe = 7.487 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 5°C) = 32263 Density (g/cm³) = 1.05501 Volume (L) = 0.99822 - Viscosity (mPa s) = 1.93729 + Viscosity (mPa s) = 1.93827 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.495e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.999e-01 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 5.00 - Electrical balance (eq) = -4.849e-12 + Electrical balance (eq) = -6.034e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 7 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -1724,32 +1701,31 @@ Using temperature 1. OH- 4.143e-03 2.316e-03 -2.383 -2.635 -0.253 -2.95 H+ 1.063e-12 7.843e-13 -11.974 -12.106 -0.132 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.02 -C(-4) 4.371e-26 - CH4 4.371e-26 6.167e-26 -25.359 -25.210 0.150 33.36 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -137.848 -137.698 0.150 33.36 C(4) 5.000e-01 CO3-2 4.958e-01 8.463e-02 -0.305 -1.072 -0.768 -1.63 HCO3- 3.701e-03 2.379e-03 -2.432 -2.624 -0.192 26.56 NaHCO3 4.414e-04 8.788e-04 -3.355 -3.056 0.299 31.89 CO2 5.009e-09 6.287e-09 -8.300 -8.202 0.099 33.37 (CO2)2 2.449e-19 3.455e-19 -18.611 -18.462 0.150 66.74 -H(0) 1.077e-14 - H2 5.384e-15 7.597e-15 -14.269 -14.119 0.150 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.391 -42.241 0.150 28.63 Na 9.999e-01 Na+ 9.995e-01 7.799e-01 -0.000 -0.108 -0.108 -1.17 NaHCO3 4.414e-04 8.788e-04 -3.355 -3.056 0.299 31.89 - NaOH 1.280e-13 1.806e-13 -12.893 -12.743 0.150 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -71.232 -71.082 0.150 28.29 +O(0) 2.057e-15 + O2 1.029e-15 1.451e-15 -14.988 -14.838 0.150 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - CH4(g) -22.65 -25.21 -2.56 CH4 + CH4(g) -135.14 -137.70 -2.56 CH4 CO2(g) -7.01 -8.20 -1.19 CO2 - H2(g) -11.08 -14.12 -3.03 H2 + H2(g) -39.21 -42.24 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O - O2(g) -68.37 -71.08 -2.71 O2 + O2(g) -12.12 -14.84 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1769,20 +1745,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 12.015 Charge balance - pe = -6.485 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 8°C) = 35679 + pe = 7.267 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 8°C) = 35669 Density (g/cm³) = 1.05418 Volume (L) = 0.99901 - Viscosity (mPa s) = 1.75707 + Viscosity (mPa s) = 1.75806 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.495e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.999e-01 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 8.42 - Electrical balance (eq) = -2.772e-12 + Electrical balance (eq) = -2.782e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 7 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -1794,32 +1770,31 @@ Using temperature 1. OH- 4.616e-03 2.574e-03 -2.336 -2.589 -0.254 -2.57 H+ 1.311e-12 9.665e-13 -11.882 -12.015 -0.132 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.02 -C(-4) 1.773e-26 - CH4 1.773e-26 2.501e-26 -25.751 -25.602 0.149 33.80 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -135.773 -135.624 0.149 33.80 C(4) 5.000e-01 CO3-2 4.954e-01 8.398e-02 -0.305 -1.076 -0.771 -0.85 HCO3- 4.075e-03 2.615e-03 -2.390 -2.583 -0.193 26.73 NaHCO3 5.407e-04 1.076e-03 -3.267 -2.968 0.299 31.87 CO2 6.229e-09 7.817e-09 -8.206 -8.107 0.099 33.57 (CO2)2 4.352e-19 6.140e-19 -18.361 -18.212 0.149 67.14 -H(0) 1.044e-14 - H2 5.219e-15 7.363e-15 -14.282 -14.133 0.149 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -41.788 -41.638 0.149 28.63 Na 9.999e-01 Na+ 9.994e-01 7.781e-01 -0.000 -0.109 -0.109 -0.92 NaHCO3 5.407e-04 1.076e-03 -3.267 -2.968 0.299 31.87 - NaOH 1.420e-13 2.003e-13 -12.848 -12.698 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.952 -69.802 0.149 28.75 +O(0) 2.293e-15 + O2 1.147e-15 1.618e-15 -14.941 -14.791 0.149 28.75 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(281 K, 1 atm) - CH4(g) -22.99 -25.60 -2.61 CH4 + CH4(g) -133.01 -135.62 -2.61 CH4 CO2(g) -6.86 -8.11 -1.25 CO2 - H2(g) -11.08 -14.13 -3.05 H2 + H2(g) -38.59 -41.64 -3.05 H2 H2O(g) -1.97 -0.01 1.96 H2O - O2(g) -67.05 -69.80 -2.75 O2 + O2(g) -12.04 -14.79 -2.75 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1839,20 +1814,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.928 Charge balance - pe = -6.415 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 12°C) = 39247 + pe = 7.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 12°C) = 39234 Density (g/cm³) = 1.05328 Volume (L) = 0.99986 - Viscosity (mPa s) = 1.59994 + Viscosity (mPa s) = 1.60094 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.494e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 11.84 - Electrical balance (eq) = -2.768e-12 + Electrical balance (eq) = -2.767e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 7 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -1864,32 +1839,31 @@ Using temperature 1. OH- 5.137e-03 2.858e-03 -2.289 -2.544 -0.255 -2.24 H+ 1.602e-12 1.180e-12 -11.795 -11.928 -0.133 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.02 -C(-4) 9.469e-27 - CH4 9.469e-27 1.336e-26 -26.024 -25.874 0.149 34.19 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -134.855 -134.706 0.149 34.19 C(4) 5.000e-01 CO3-2 4.948e-01 8.331e-02 -0.306 -1.079 -0.774 -0.19 HCO3- 4.478e-03 2.868e-03 -2.349 -2.542 -0.193 26.89 NaHCO3 6.590e-04 1.311e-03 -3.181 -2.882 0.299 31.84 CO2 7.726e-09 9.696e-09 -8.112 -8.013 0.099 33.76 (CO2)2 7.655e-19 1.080e-18 -18.116 -17.967 0.149 67.52 -H(0) 1.081e-14 - H2 5.406e-15 7.626e-15 -14.267 -14.118 0.149 28.62 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -41.475 -41.326 0.149 28.62 Na 1.000e+00 Na+ 9.993e-01 7.762e-01 -0.000 -0.110 -0.110 -0.70 NaHCO3 6.590e-04 1.311e-03 -3.181 -2.882 0.299 31.84 - NaOH 1.573e-13 2.218e-13 -12.803 -12.654 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.759 -68.610 0.149 29.16 +O(0) 9.075e-15 + O2 4.537e-15 6.401e-15 -14.343 -14.194 0.149 29.16 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(284 K, 1 atm) - CH4(g) -23.22 -25.87 -2.66 CH4 + CH4(g) -132.05 -134.71 -2.66 CH4 CO2(g) -6.72 -8.01 -1.30 CO2 - H2(g) -11.06 -14.12 -3.06 H2 + H2(g) -38.26 -41.33 -3.06 H2 H2O(g) -1.87 -0.01 1.86 H2O - O2(g) -65.83 -68.61 -2.78 O2 + O2(g) -11.41 -14.19 -2.78 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1909,20 +1883,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.846 Charge balance - pe = -6.350 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 42969 + pe = 7.412 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 15°C) = 42953 Density (g/cm³) = 1.05230 Volume (L) = 1.00079 - Viscosity (mPa s) = 1.46237 + Viscosity (mPa s) = 1.46339 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.493e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 15.26 - Electrical balance (eq) = -5.684e-10 + Electrical balance (eq) = -6.393e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 6 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -1934,32 +1908,31 @@ Using temperature 1. OH- 5.709e-03 3.168e-03 -2.243 -2.499 -0.256 -1.95 H+ 1.940e-12 1.427e-12 -11.712 -11.846 -0.133 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.03 -C(-4) 5.281e-27 - CH4 5.281e-27 7.448e-27 -26.277 -26.128 0.149 34.55 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -136.373 -136.223 0.149 34.55 C(4) 5.000e-01 CO3-2 4.943e-01 8.260e-02 -0.306 -1.083 -0.777 0.36 HCO3- 4.909e-03 3.139e-03 -2.309 -2.503 -0.194 27.03 NaHCO3 7.994e-04 1.590e-03 -3.097 -2.799 0.299 31.81 CO2 9.559e-09 1.199e-08 -8.020 -7.921 0.099 33.94 (CO2)2 1.333e-18 1.879e-18 -17.875 -17.726 0.149 67.89 -H(0) 1.130e-14 - H2 5.649e-15 7.968e-15 -14.248 -14.099 0.149 28.62 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -41.772 -41.622 0.149 28.62 Na 1.000e+00 Na+ 9.992e-01 7.743e-01 -0.000 -0.111 -0.111 -0.51 NaHCO3 7.994e-04 1.590e-03 -3.097 -2.799 0.299 31.81 - NaOH 1.739e-13 2.453e-13 -12.760 -12.610 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.603 -67.454 0.149 29.53 +O(0) 5.569e-13 + O2 2.784e-13 3.927e-13 -12.555 -12.406 0.149 29.53 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(288 K, 1 atm) - CH4(g) -23.43 -26.13 -2.70 CH4 + CH4(g) -133.52 -136.22 -2.70 CH4 CO2(g) -6.58 -7.92 -1.34 CO2 - H2(g) -11.03 -14.10 -3.07 H2 + H2(g) -38.55 -41.62 -3.07 H2 H2O(g) -1.77 -0.01 1.76 H2O - O2(g) -64.64 -67.45 -2.81 O2 + O2(g) -9.59 -12.41 -2.81 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1979,20 +1952,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.767 Charge balance - pe = -6.273 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 19°C) = 46841 + pe = 6.576 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 19°C) = 46822 Density (g/cm³) = 1.05125 Volume (L) = 1.00180 - Viscosity (mPa s) = 1.34139 + Viscosity (mPa s) = 1.34243 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.493e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 18.68 - Electrical balance (eq) = -8.978e-12 + Electrical balance (eq) = -1.153e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2004,32 +1977,31 @@ Using temperature 1. OH- 6.336e-03 3.507e-03 -2.198 -2.455 -0.257 -1.71 H+ 2.328e-12 1.710e-12 -11.633 -11.767 -0.134 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.04 -C(-4) 2.262e-27 - CH4 2.262e-27 3.190e-27 -26.645 -26.496 0.149 34.89 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -129.439 -129.289 0.149 34.89 C(4) 5.000e-01 CO3-2 4.937e-01 8.186e-02 -0.307 -1.087 -0.780 0.82 HCO3- 5.371e-03 3.428e-03 -2.270 -2.465 -0.195 27.16 NaHCO3 9.651e-04 1.919e-03 -3.015 -2.717 0.299 31.79 CO2 1.179e-08 1.480e-08 -7.928 -7.830 0.099 34.12 (CO2)2 2.296e-18 3.237e-18 -17.639 -17.490 0.149 68.24 -H(0) 1.103e-14 - H2 5.515e-15 7.777e-15 -14.258 -14.109 0.149 28.61 +H(0) 2.209e-40 + H2 1.105e-40 1.558e-40 -39.957 -39.807 0.149 28.61 Na 1.000e+00 Na+ 9.990e-01 7.722e-01 -0.000 -0.112 -0.112 -0.34 NaHCO3 9.651e-04 1.919e-03 -3.015 -2.717 0.299 31.79 - NaOH 1.921e-13 2.708e-13 -12.717 -12.567 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.416 -66.267 0.149 29.86 +O(0) 1.914e-15 + O2 9.568e-16 1.349e-15 -15.019 -14.870 0.149 29.86 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(291 K, 1 atm) - CH4(g) -23.76 -26.50 -2.74 CH4 + CH4(g) -126.55 -129.29 -2.74 CH4 CO2(g) -6.44 -7.83 -1.39 CO2 - H2(g) -11.02 -14.11 -3.08 H2 + H2(g) -36.72 -39.81 -3.08 H2 H2O(g) -1.68 -0.01 1.67 H2O - O2(g) -63.42 -66.27 -2.84 O2 + O2(g) -12.03 -14.87 -2.84 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2049,20 +2021,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.692 Charge balance - pe = -6.211 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 22°C) = 50858 + pe = 6.366 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 22°C) = 50835 Density (g/cm³) = 1.05012 Volume (L) = 1.00287 - Viscosity (mPa s) = 1.23455 + Viscosity (mPa s) = 1.23561 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.492e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 22.11 - Electrical balance (eq) = -2.499e-12 + Electrical balance (eq) = -2.468e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2074,32 +2046,31 @@ Using temperature 1. OH- 7.025e-03 3.878e-03 -2.153 -2.411 -0.258 -1.51 H+ 2.771e-12 2.033e-12 -11.557 -11.692 -0.135 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.06 -C(-4) 1.183e-27 - CH4 1.183e-27 1.668e-27 -26.927 -26.778 0.149 35.20 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -127.544 -127.395 0.149 35.20 C(4) 5.000e-01 CO3-2 4.930e-01 8.110e-02 -0.307 -1.091 -0.784 1.21 HCO3- 5.865e-03 3.735e-03 -2.232 -2.428 -0.196 27.28 NaHCO3 1.160e-03 2.306e-03 -2.936 -2.637 0.298 31.75 CO2 1.451e-08 1.820e-08 -7.838 -7.740 0.098 34.29 (CO2)2 3.914e-18 5.518e-18 -17.407 -17.258 0.149 68.58 -H(0) 1.130e-14 - H2 5.648e-15 7.963e-15 -14.248 -14.099 0.149 28.61 +H(0) 7.919e-40 + H2 3.959e-40 5.582e-40 -39.402 -39.253 0.149 28.61 Na 1.000e+00 Na+ 9.988e-01 7.701e-01 -0.001 -0.113 -0.113 -0.19 NaHCO3 1.160e-03 2.306e-03 -2.936 -2.637 0.298 31.75 - NaOH 2.118e-13 2.986e-13 -12.674 -12.525 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.297 -65.148 0.149 30.17 +O(0) 2.053e-15 + O2 1.026e-15 1.447e-15 -14.989 -14.839 0.149 30.17 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(295 K, 1 atm) - CH4(g) -24.00 -26.78 -2.77 CH4 + CH4(g) -124.62 -127.39 -2.77 CH4 CO2(g) -6.31 -7.74 -1.43 CO2 - H2(g) -11.01 -14.10 -3.09 H2 + H2(g) -36.16 -39.25 -3.09 H2 H2O(g) -1.59 -0.01 1.58 H2O - O2(g) -62.28 -65.15 -2.87 O2 + O2(g) -11.97 -14.84 -2.87 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2119,20 +2090,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.620 Charge balance - pe = -6.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 26°C) = 55017 + pe = 6.399 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 26°C) = 54990 Density (g/cm³) = 1.04892 Volume (L) = 1.00402 - Viscosity (mPa s) = 1.13978 + Viscosity (mPa s) = 1.14087 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.491e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 25.53 - Electrical balance (eq) = -9.837e-10 + Electrical balance (eq) = -1.036e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 4 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2144,32 +2115,31 @@ Using temperature 1. OH- 7.779e-03 4.282e-03 -2.109 -2.368 -0.259 -1.34 H+ 3.273e-12 2.397e-12 -11.485 -11.620 -0.135 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.07 -C(-4) 6.157e-28 - CH4 6.157e-28 8.678e-28 -27.211 -27.062 0.149 35.50 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -127.614 -127.465 0.149 35.50 C(4) 5.000e-01 CO3-2 4.922e-01 8.031e-02 -0.308 -1.095 -0.787 1.53 HCO3- 6.391e-03 4.062e-03 -2.194 -2.391 -0.197 27.39 NaHCO3 1.388e-03 2.757e-03 -2.858 -2.560 0.298 31.72 CO2 1.780e-08 2.232e-08 -7.750 -7.651 0.098 34.46 (CO2)2 6.603e-18 9.308e-18 -17.180 -17.031 0.149 68.92 -H(0) 1.153e-14 - H2 5.764e-15 8.125e-15 -14.239 -14.090 0.149 28.61 +H(0) 9.138e-40 + H2 4.569e-40 6.440e-40 -39.340 -39.191 0.149 28.61 Na 1.000e+00 Na+ 9.986e-01 7.678e-01 -0.001 -0.115 -0.114 -0.05 NaHCO3 1.388e-03 2.757e-03 -2.858 -2.560 0.298 31.72 - NaOH 2.333e-13 3.288e-13 -12.632 -12.483 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.202 -64.053 0.149 30.44 +O(0) 2.000e-14 + O2 1.000e-14 1.410e-14 -14.000 -13.851 0.149 30.44 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - CH4(g) -24.25 -27.06 -2.81 CH4 + CH4(g) -124.66 -127.47 -2.81 CH4 CO2(g) -6.18 -7.65 -1.47 CO2 - H2(g) -10.99 -14.09 -3.10 H2 + H2(g) -36.09 -39.19 -3.10 H2 H2O(g) -1.50 -0.01 1.49 H2O - O2(g) -61.16 -64.05 -2.90 O2 + O2(g) -10.95 -13.85 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2189,20 +2159,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.552 Charge balance - pe = -6.074 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 29°C) = 59313 + pe = 6.350 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 29°C) = 59280 Density (g/cm³) = 1.04765 Volume (L) = 1.00523 - Viscosity (mPa s) = 1.05539 + Viscosity (mPa s) = 1.05650 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.490e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 28.95 - Electrical balance (eq) = -7.600e-12 + Electrical balance (eq) = -6.478e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2214,32 +2184,31 @@ Using temperature 1. OH- 8.605e-03 4.723e-03 -2.065 -2.326 -0.261 -1.19 H+ 3.835e-12 2.805e-12 -11.416 -11.552 -0.136 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.09 -C(-4) 2.183e-28 - CH4 2.183e-28 3.077e-28 -27.661 -27.512 0.149 35.78 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -127.045 -126.896 0.149 35.78 C(4) 5.000e-01 CO3-2 4.914e-01 7.949e-02 -0.309 -1.100 -0.791 1.79 HCO3- 6.951e-03 4.409e-03 -2.158 -2.356 -0.198 27.48 NaHCO3 1.653e-03 3.283e-03 -2.782 -2.484 0.298 31.69 CO2 2.177e-08 2.730e-08 -7.662 -7.564 0.098 34.62 (CO2)2 1.102e-17 1.554e-17 -16.958 -16.809 0.149 69.25 -H(0) 1.067e-14 - H2 5.335e-15 7.518e-15 -14.273 -14.124 0.149 28.60 +H(0) 1.521e-39 + H2 7.603e-40 1.071e-39 -39.119 -38.970 0.149 28.60 Na 1.000e+00 Na+ 9.984e-01 7.655e-01 -0.001 -0.116 -0.115 0.08 NaHCO3 1.653e-03 3.283e-03 -2.782 -2.484 0.298 31.69 - NaOH 2.566e-13 3.615e-13 -12.591 -12.442 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.046 -62.897 0.149 30.70 +O(0) 8.849e-14 + O2 4.425e-14 6.235e-14 -13.354 -13.205 0.149 30.70 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(302 K, 1 atm) - CH4(g) -24.68 -27.51 -2.84 CH4 + CH4(g) -124.06 -126.90 -2.84 CH4 CO2(g) -6.05 -7.56 -1.51 CO2 - H2(g) -11.01 -14.12 -3.11 H2 + H2(g) -35.86 -38.97 -3.11 H2 H2O(g) -1.41 -0.01 1.40 H2O - O2(g) -59.98 -62.90 -2.92 O2 + O2(g) -10.29 -13.21 -2.92 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2259,20 +2228,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.487 Charge balance - pe = -6.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 32°C) = 63741 + pe = 6.395 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 32°C) = 63702 Density (g/cm³) = 1.04632 Volume (L) = 1.00652 - Viscosity (mPa s) = 0.97994 + Viscosity (mPa s) = 0.98109 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.489e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 32.37 - Electrical balance (eq) = -3.240e-10 + Electrical balance (eq) = -2.178e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 4 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2284,32 +2253,31 @@ Using temperature 1. OH- 9.508e-03 5.203e-03 -2.022 -2.284 -0.262 -1.07 H+ 4.461e-12 3.258e-12 -11.351 -11.487 -0.136 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.11 -C(-4) 1.385e-28 - CH4 1.385e-28 1.951e-28 -27.859 -27.710 0.149 36.05 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -127.255 -127.106 0.149 36.05 C(4) 5.000e-01 CO3-2 4.905e-01 7.865e-02 -0.309 -1.104 -0.795 1.99 HCO3- 7.546e-03 4.775e-03 -2.122 -2.321 -0.199 27.57 NaHCO3 1.961e-03 3.893e-03 -2.707 -2.410 0.298 31.65 CO2 2.654e-08 3.328e-08 -7.576 -7.478 0.098 34.79 (CO2)2 1.822e-17 2.566e-17 -16.740 -16.591 0.149 69.58 -H(0) 1.140e-14 - H2 5.698e-15 8.028e-15 -14.244 -14.095 0.149 28.60 +H(0) 1.613e-39 + H2 8.067e-40 1.137e-39 -39.093 -38.944 0.149 28.60 Na 1.000e+00 Na+ 9.981e-01 7.630e-01 -0.001 -0.117 -0.117 0.19 NaHCO3 1.961e-03 3.893e-03 -2.707 -2.410 0.298 31.65 - NaOH 2.818e-13 3.970e-13 -12.550 -12.401 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.040 -61.891 0.149 30.93 +O(0) 9.101e-13 + O2 4.551e-13 6.411e-13 -12.342 -12.193 0.149 30.93 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(305 K, 1 atm) - CH4(g) -24.85 -27.71 -2.86 CH4 + CH4(g) -124.24 -127.11 -2.86 CH4 CO2(g) -5.93 -7.48 -1.55 CO2 - H2(g) -10.98 -14.10 -3.12 H2 + H2(g) -35.83 -38.94 -3.12 H2 H2O(g) -1.33 -0.01 1.32 H2O - O2(g) -58.95 -61.89 -2.94 O2 + O2(g) -9.25 -12.19 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2329,11 +2297,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.425 Charge balance - pe = -5.963 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 36°C) = 68297 + pe = 5.504 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 36°C) = 68251 Density (g/cm³) = 1.04491 Volume (L) = 1.00787 - Viscosity (mPa s) = 0.91225 + Viscosity (mPa s) = 0.91344 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.487e+00 Mass of water (kg) = 9.999e-01 @@ -2342,7 +2310,7 @@ Using temperature 1. Temperature (°C) = 35.79 Electrical balance (eq) = -2.772e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2354,32 +2322,31 @@ Using temperature 1. OH- 1.049e-02 5.725e-03 -1.979 -2.242 -0.263 -0.97 H+ 5.152e-12 3.757e-12 -11.288 -11.425 -0.137 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.13 -C(-4) 5.480e-29 - CH4 5.480e-29 7.719e-29 -28.261 -28.112 0.149 36.31 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -119.998 -119.850 0.149 36.31 C(4) 5.000e-01 CO3-2 4.895e-01 7.778e-02 -0.310 -1.109 -0.799 2.15 HCO3- 8.177e-03 5.162e-03 -2.087 -2.287 -0.200 27.65 NaHCO3 2.317e-03 4.596e-03 -2.635 -2.338 0.297 31.61 CO2 3.226e-08 4.044e-08 -7.491 -7.393 0.098 34.96 (CO2)2 2.979e-17 4.196e-17 -16.526 -16.377 0.149 69.91 -H(0) 1.080e-14 - H2 5.400e-15 7.605e-15 -14.268 -14.119 0.149 28.60 +H(0) 1.256e-37 + H2 6.282e-38 8.848e-38 -37.202 -37.053 0.149 28.60 Na 1.000e+00 Na+ 9.977e-01 7.604e-01 -0.001 -0.119 -0.118 0.29 NaHCO3 2.317e-03 4.596e-03 -2.635 -2.338 0.297 31.61 - NaOH 3.091e-13 4.354e-13 -12.510 -12.361 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.953 -60.804 0.149 31.15 +O(0) 1.646e-15 + O2 8.231e-16 1.159e-15 -15.085 -14.936 0.149 31.15 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(308 K, 1 atm) - CH4(g) -25.23 -28.11 -2.89 CH4 + CH4(g) -116.96 -119.85 -2.89 CH4 CO2(g) -5.81 -7.39 -1.58 CO2 - H2(g) -11.00 -14.12 -3.12 H2 + H2(g) -33.93 -37.05 -3.12 H2 H2O(g) -1.25 -0.01 1.24 H2O - O2(g) -57.84 -60.80 -2.96 O2 + O2(g) -11.97 -14.94 -2.96 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2399,20 +2366,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.366 Charge balance - pe = -5.913 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 39°C) = 72976 + pe = 5.330 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 39°C) = 72921 Density (g/cm³) = 1.04344 Volume (L) = 1.00929 - Viscosity (mPa s) = 0.85132 + Viscosity (mPa s) = 0.85256 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.486e+00 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 39.21 - Electrical balance (eq) = -2.863e-12 + Electrical balance (eq) = -2.886e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2424,32 +2391,31 @@ Using temperature 1. OH- 1.157e-02 6.292e-03 -1.937 -2.201 -0.265 -0.90 H+ 5.911e-12 4.304e-12 -11.228 -11.366 -0.138 0.00 H2O 5.551e+01 9.743e-01 1.744 -0.011 0.000 18.15 -C(-4) 2.833e-29 - CH4 2.833e-29 3.988e-29 -28.548 -28.399 0.149 36.56 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -118.494 -118.345 0.149 36.56 C(4) 5.000e-01 CO3-2 4.885e-01 7.688e-02 -0.311 -1.114 -0.803 2.26 HCO3- 8.844e-03 5.570e-03 -2.053 -2.254 -0.201 27.72 NaHCO3 2.727e-03 5.405e-03 -2.564 -2.267 0.297 31.57 CO2 3.909e-08 4.899e-08 -7.408 -7.310 0.098 35.12 (CO2)2 4.822e-17 6.789e-17 -16.317 -16.168 0.149 70.24 -H(0) 1.092e-14 - H2 5.460e-15 7.688e-15 -14.263 -14.114 0.149 28.59 +H(0) 3.562e-37 + H2 1.781e-37 2.508e-37 -36.749 -36.601 0.149 28.59 Na 1.000e+00 Na+ 9.973e-01 7.578e-01 -0.001 -0.120 -0.119 0.39 NaHCO3 2.727e-03 5.405e-03 -2.564 -2.267 0.297 31.57 - NaOH 3.387e-13 4.768e-13 -12.470 -12.322 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.945 -59.797 0.149 31.35 +O(0) 2.132e-15 + O2 1.066e-15 1.501e-15 -14.972 -14.824 0.149 31.35 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(312 K, 1 atm) - CH4(g) -25.49 -28.40 -2.91 CH4 + CH4(g) -115.44 -118.35 -2.91 CH4 CO2(g) -5.69 -7.31 -1.62 CO2 - H2(g) -10.99 -14.11 -3.13 H2 + H2(g) -33.47 -36.60 -3.13 H2 H2O(g) -1.17 -0.01 1.16 H2O - O2(g) -56.82 -59.80 -2.98 O2 + O2(g) -11.84 -14.82 -2.98 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2469,20 +2435,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.310 Charge balance - pe = -5.854 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 43°C) = 77772 + pe = 5.215 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 43°C) = 77707 Density (g/cm³) = 1.04191 Volume (L) = 1.01077 - Viscosity (mPa s) = 0.79630 + Viscosity (mPa s) = 0.79758 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.484e+00 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 42.63 - Electrical balance (eq) = -4.302e-12 + Electrical balance (eq) = -4.562e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2494,32 +2460,31 @@ Using temperature 1. OH- 1.274e-02 6.908e-03 -1.895 -2.161 -0.266 -0.84 H+ 6.738e-12 4.898e-12 -11.171 -11.310 -0.139 0.00 H2O 5.551e+01 9.743e-01 1.744 -0.011 0.000 18.18 -C(-4) 1.175e-29 - CH4 1.175e-29 1.653e-29 -28.930 -28.782 0.148 36.81 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -117.477 -117.329 0.148 36.81 C(4) 5.000e-01 CO3-2 4.873e-01 7.596e-02 -0.312 -1.119 -0.807 2.33 HCO3- 9.548e-03 6.000e-03 -2.020 -2.222 -0.202 27.78 NaHCO3 3.196e-03 6.331e-03 -2.495 -2.199 0.297 31.52 CO2 4.722e-08 5.916e-08 -7.326 -7.228 0.098 35.29 (CO2)2 7.726e-17 1.087e-16 -16.112 -15.964 0.148 70.58 -H(0) 1.043e-14 - H2 5.216e-15 7.341e-15 -14.283 -14.134 0.148 28.59 +H(0) 7.613e-37 + H2 3.806e-37 5.357e-37 -36.419 -36.271 0.148 28.59 Na 1.000e+00 Na+ 9.969e-01 7.550e-01 -0.001 -0.122 -0.121 0.48 NaHCO3 3.196e-03 6.331e-03 -2.495 -2.199 0.297 31.52 - NaOH 3.706e-13 5.215e-13 -12.431 -12.283 0.148 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.910 -58.762 0.148 31.55 +O(0) 4.619e-15 + O2 2.310e-15 3.251e-15 -14.636 -14.488 0.148 31.55 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(315 K, 1 atm) - CH4(g) -25.86 -28.78 -2.93 CH4 + CH4(g) -114.40 -117.33 -2.93 CH4 CO2(g) -5.58 -7.23 -1.65 CO2 - H2(g) -11.00 -14.13 -3.13 H2 + H2(g) -33.14 -36.27 -3.13 H2 H2O(g) -1.09 -0.01 1.08 H2O - O2(g) -55.76 -58.76 -3.00 O2 + O2(g) -11.49 -14.49 -3.00 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2539,20 +2504,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.257 Charge balance - pe = -5.819 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 46°C) = 82679 + pe = 5.219 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 46°C) = 82602 Density (g/cm³) = 1.04032 Volume (L) = 1.01232 - Viscosity (mPa s) = 0.74648 + Viscosity (mPa s) = 0.74780 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.482e+00 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.001e-01 Temperature (°C) = 46.05 - Electrical balance (eq) = -1.614e-11 + Electrical balance (eq) = -1.095e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2564,32 +2529,31 @@ Using temperature 1. OH- 1.402e-02 7.576e-03 -1.853 -2.121 -0.267 -0.80 H+ 7.633e-12 5.539e-12 -11.117 -11.257 -0.139 0.00 H2O 5.551e+01 9.743e-01 1.744 -0.011 0.000 18.20 -C(-4) 7.394e-30 - CH4 7.394e-30 1.040e-29 -29.131 -28.983 0.148 37.05 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -117.436 -117.288 0.148 37.05 C(4) 5.001e-01 CO3-2 4.860e-01 7.501e-02 -0.313 -1.125 -0.812 2.36 HCO3- 1.029e-02 6.450e-03 -1.988 -2.190 -0.203 27.83 NaHCO3 3.732e-03 7.386e-03 -2.428 -2.132 0.296 31.47 CO2 5.686e-08 7.122e-08 -7.245 -7.147 0.098 35.46 (CO2)2 1.226e-16 1.724e-16 -15.912 -15.763 0.148 70.92 -H(0) 1.104e-14 - H2 5.520e-15 7.766e-15 -14.258 -14.110 0.148 28.59 +H(0) 9.264e-37 + H2 4.632e-37 6.516e-37 -36.334 -36.186 0.148 28.59 Na 1.000e+00 Na+ 9.964e-01 7.520e-01 -0.002 -0.124 -0.122 0.56 NaHCO3 3.732e-03 7.386e-03 -2.428 -2.132 0.296 31.47 - NaOH 4.050e-13 5.697e-13 -12.393 -12.244 0.148 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.985 -57.837 0.148 31.73 +O(0) 2.939e-14 + O2 1.470e-14 2.068e-14 -13.833 -13.685 0.148 31.73 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(319 K, 1 atm) - CH4(g) -26.04 -28.98 -2.94 CH4 + CH4(g) -114.34 -117.29 -2.94 CH4 CO2(g) -5.47 -7.15 -1.68 CO2 - H2(g) -10.98 -14.11 -3.13 H2 + H2(g) -33.05 -36.19 -3.13 H2 H2O(g) -1.01 -0.01 1.00 H2O - O2(g) -54.82 -57.84 -3.01 O2 + O2(g) -10.67 -13.68 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2609,20 +2573,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.206 Charge balance - pe = -5.786 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 49°C) = 87691 + pe = 5.114 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 49°C) = 87601 Density (g/cm³) = 1.03866 Volume (L) = 1.01393 - Viscosity (mPa s) = 0.70122 + Viscosity (mPa s) = 0.70260 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.480e+00 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.001e-01 Temperature (°C) = 49.47 - Electrical balance (eq) = -1.584e-11 + Electrical balance (eq) = -2.952e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2634,32 +2598,31 @@ Using temperature 1. OH- 1.541e-02 8.299e-03 -1.812 -2.081 -0.269 -0.77 H+ 8.596e-12 6.227e-12 -11.066 -11.206 -0.140 0.00 H2O 5.551e+01 9.743e-01 1.744 -0.011 0.000 18.23 -C(-4) 4.567e-30 - CH4 4.567e-30 6.422e-30 -29.340 -29.192 0.148 37.29 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -116.538 -116.390 0.148 37.29 C(4) 5.001e-01 CO3-2 4.847e-01 7.404e-02 -0.315 -1.131 -0.816 2.35 HCO3- 1.107e-02 6.922e-03 -1.956 -2.160 -0.204 27.87 NaHCO3 4.342e-03 8.586e-03 -2.362 -2.066 0.296 31.43 CO2 6.825e-08 8.547e-08 -7.166 -7.068 0.098 35.63 (CO2)2 1.925e-16 2.707e-16 -15.716 -15.567 0.148 71.27 -H(0) 1.161e-14 - H2 5.805e-15 8.163e-15 -14.236 -14.088 0.148 28.59 +H(0) 1.842e-36 + H2 9.212e-37 1.295e-36 -36.036 -35.888 0.148 28.59 Na 1.000e+00 Na+ 9.958e-01 7.490e-01 -0.002 -0.126 -0.124 0.63 NaHCO3 4.342e-03 8.586e-03 -2.362 -2.066 0.296 31.43 - NaOH 4.420e-13 6.216e-13 -12.355 -12.207 0.148 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.075 -56.927 0.148 31.90 +O(0) 6.679e-14 + O2 3.340e-14 4.696e-14 -13.476 -13.328 0.148 31.90 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(322 K, 1 atm) - CH4(g) -26.24 -29.19 -2.96 CH4 + CH4(g) -113.43 -116.39 -2.96 CH4 CO2(g) -5.36 -7.07 -1.71 CO2 - H2(g) -10.95 -14.09 -3.14 H2 + H2(g) -32.75 -35.89 -3.14 H2 H2O(g) -0.94 -0.01 0.93 H2O - O2(g) -53.90 -56.93 -3.03 O2 + O2(g) -10.30 -13.33 -3.03 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2679,20 +2642,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.157 Charge balance - pe = -5.780 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 53°C) = 92801 + pe = 4.563 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 53°C) = 92697 Density (g/cm³) = 1.03694 Volume (L) = 1.01561 - Viscosity (mPa s) = 0.66002 + Viscosity (mPa s) = 0.66146 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.478e+00 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.001e-01 Temperature (°C) = 52.89 - Electrical balance (eq) = -4.066e-11 + Electrical balance (eq) = -1.392e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 4 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2704,32 +2667,31 @@ Using temperature 1. OH- 1.693e-02 9.081e-03 -1.771 -2.042 -0.270 -0.76 H+ 9.625e-12 6.961e-12 -11.017 -11.157 -0.141 0.00 H2O 5.551e+01 9.743e-01 1.744 -0.011 0.000 18.26 -C(-4) 4.538e-30 - CH4 4.538e-30 6.379e-30 -29.343 -29.195 0.148 37.53 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -112.086 -111.938 0.148 37.53 C(4) 5.001e-01 CO3-2 4.832e-01 7.304e-02 -0.316 -1.136 -0.821 2.32 HCO3- 1.189e-02 7.416e-03 -1.925 -2.130 -0.205 27.90 NaHCO3 5.034e-03 9.943e-03 -2.298 -2.002 0.296 31.37 CO2 8.168e-08 1.023e-07 -7.088 -6.990 0.098 35.81 (CO2)2 2.995e-16 4.209e-16 -15.524 -15.376 0.148 71.62 -H(0) 1.373e-14 - H2 6.863e-15 9.646e-15 -14.163 -14.016 0.148 28.59 +H(0) 2.831e-35 + H2 1.415e-35 1.989e-35 -34.849 -34.701 0.148 28.59 Na 1.000e+00 Na+ 9.951e-01 7.458e-01 -0.002 -0.127 -0.125 0.70 NaHCO3 5.034e-03 9.943e-03 -2.298 -2.002 0.296 31.37 - NaOH 4.819e-13 6.773e-13 -12.317 -12.169 0.148 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.287 -56.139 0.148 32.06 +O(0) 2.429e-15 + O2 1.214e-15 1.707e-15 -14.916 -14.768 0.148 32.06 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(326 K, 1 atm) - CH4(g) -26.23 -29.20 -2.97 CH4 + CH4(g) -108.97 -111.94 -2.97 CH4 CO2(g) -5.26 -6.99 -1.73 CO2 - H2(g) -10.88 -14.02 -3.14 H2 + H2(g) -31.56 -34.70 -3.14 H2 H2O(g) -0.87 -0.01 0.85 H2O - O2(g) -53.10 -56.14 -3.04 O2 + O2(g) -11.73 -14.77 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2749,20 +2711,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.111 Charge balance - pe = -5.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 56°C) = 98002 + pe = 4.348 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 56°C) = 97881 Density (g/cm³) = 1.03517 Volume (L) = 1.01735 - Viscosity (mPa s) = 0.62242 + Viscosity (mPa s) = 0.62392 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.476e+00 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.001e-01 Temperature (°C) = 56.32 - Electrical balance (eq) = -1.312e-09 + Electrical balance (eq) = -2.774e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2774,32 +2736,31 @@ Using temperature 1. OH- 1.857e-02 9.926e-03 -1.731 -2.003 -0.272 -0.77 H+ 1.072e-11 7.737e-12 -10.970 -11.111 -0.142 0.00 H2O 5.551e+01 9.743e-01 1.744 -0.011 0.000 18.29 -C(-4) 3.874e-30 - CH4 3.874e-30 5.443e-30 -29.412 -29.264 0.148 37.77 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -110.338 -110.190 0.148 37.77 C(4) 5.001e-01 CO3-2 4.815e-01 7.202e-02 -0.317 -1.143 -0.825 2.25 HCO3- 1.275e-02 7.931e-03 -1.894 -2.101 -0.206 27.92 NaHCO3 5.815e-03 1.147e-02 -2.235 -1.940 0.295 31.32 CO2 9.745e-08 1.220e-07 -7.011 -6.914 0.097 35.99 (CO2)2 4.615e-16 6.483e-16 -15.336 -15.188 0.148 71.98 -H(0) 1.560e-14 - H2 7.799e-15 1.096e-14 -14.108 -13.960 0.148 28.58 +H(0) 9.153e-35 + H2 4.576e-35 6.429e-35 -34.339 -34.192 0.148 28.58 Na 1.000e+00 Na+ 9.944e-01 7.425e-01 -0.002 -0.129 -0.127 0.77 NaHCO3 5.815e-03 1.147e-02 -2.235 -1.940 0.295 31.32 - NaOH 5.247e-13 7.370e-13 -12.280 -12.133 0.148 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.484 -55.336 0.148 32.22 +O(0) 1.907e-15 + O2 9.535e-16 1.339e-15 -15.021 -14.873 0.148 32.22 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(329 K, 1 atm) - CH4(g) -26.28 -29.26 -2.98 CH4 + CH4(g) -107.21 -110.19 -2.98 CH4 CO2(g) -5.16 -6.91 -1.76 CO2 - H2(g) -10.82 -13.96 -3.14 H2 + H2(g) -31.05 -34.19 -3.14 H2 H2O(g) -0.79 -0.01 0.78 H2O - O2(g) -52.28 -55.34 -3.05 O2 + O2(g) -11.82 -14.87 -3.05 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2819,20 +2780,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.068 Charge balance - pe = -5.735 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 60°C) = 103287 + pe = 4.173 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 60°C) = 103147 Density (g/cm³) = 1.03334 Volume (L) = 1.01915 - Viscosity (mPa s) = 0.58803 + Viscosity (mPa s) = 0.58959 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.473e+00 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.001e-01 Temperature (°C) = 59.74 - Electrical balance (eq) = -2.769e-12 + Electrical balance (eq) = -2.814e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110278e+02 Total O = 5.701388e+01 @@ -2844,32 +2805,31 @@ Using temperature 1. OH- 2.035e-02 1.084e-02 -1.691 -1.965 -0.274 -0.79 H+ 1.187e-11 8.556e-12 -10.925 -11.068 -0.142 0.00 H2O 5.551e+01 9.743e-01 1.744 -0.011 0.000 18.32 -C(-4) 2.187e-30 - CH4 2.187e-30 3.071e-30 -29.660 -29.513 0.147 38.00 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -108.921 -108.774 0.147 38.00 C(4) 5.001e-01 CO3-2 4.798e-01 7.098e-02 -0.319 -1.149 -0.830 2.15 HCO3- 1.365e-02 8.468e-03 -1.865 -2.072 -0.207 27.93 NaHCO3 6.694e-03 1.319e-02 -2.174 -1.880 0.295 31.26 CO2 1.159e-07 1.450e-07 -6.936 -6.839 0.097 36.18 (CO2)2 7.045e-16 9.890e-16 -15.152 -15.005 0.147 72.35 -H(0) 1.596e-14 - H2 7.979e-15 1.120e-14 -14.098 -13.951 0.147 28.58 +H(0) 2.442e-34 + H2 1.221e-34 1.714e-34 -33.913 -33.766 0.147 28.58 Na 1.000e+00 Na+ 9.935e-01 7.390e-01 -0.003 -0.131 -0.129 0.83 NaHCO3 6.694e-03 1.319e-02 -2.174 -1.880 0.295 31.26 - NaOH 5.706e-13 8.010e-13 -12.244 -12.096 0.147 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.608 -54.461 0.147 32.37 +O(0) 2.107e-15 + O2 1.054e-15 1.479e-15 -14.977 -14.830 0.147 32.37 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(332 K, 1 atm) - CH4(g) -26.52 -29.51 -2.99 CH4 + CH4(g) -105.78 -108.77 -2.99 CH4 CO2(g) -5.06 -6.84 -1.78 CO2 - H2(g) -10.81 -13.95 -3.14 H2 + H2(g) -30.63 -33.77 -3.14 H2 H2O(g) -0.73 -0.01 0.71 H2O - O2(g) -51.40 -54.46 -3.06 O2 + O2(g) -11.77 -14.83 -3.06 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2889,11 +2849,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.026 Charge balance - pe = 3.947 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 63°C) = 108648 + pe = 4.087 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 63°C) = 108486 Density (g/cm³) = 1.03146 Volume (L) = 1.02101 - Viscosity (mPa s) = 0.55651 + Viscosity (mPa s) = 0.55813 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.470e+00 Mass of water (kg) = 9.997e-01 @@ -2915,31 +2875,30 @@ Using temperature 1. H+ 1.309e-11 9.413e-12 -10.883 -11.026 -0.143 0.00 H2O 5.551e+01 9.742e-01 1.744 -0.011 0.000 18.35 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -107.113 -106.966 0.147 38.24 + CH4 0.000e+00 0.000e+00 -108.233 -108.086 0.147 38.24 C(4) 5.001e-01 CO3-2 4.779e-01 6.991e-02 -0.321 -1.155 -0.835 2.02 HCO3- 1.460e-02 9.027e-03 -1.836 -2.044 -0.209 27.94 NaHCO3 7.681e-03 1.512e-02 -2.115 -1.820 0.294 31.20 CO2 1.375e-07 1.719e-07 -6.862 -6.765 0.097 36.37 (CO2)2 1.066e-15 1.495e-15 -14.972 -14.825 0.147 72.74 -H(0) 8.149e-34 - H2 4.074e-34 5.716e-34 -33.390 -33.243 0.147 28.58 +H(0) 4.275e-34 + H2 2.138e-34 2.999e-34 -33.670 -33.523 0.147 28.58 Na 1.000e+00 Na+ 9.926e-01 7.354e-01 -0.003 -0.133 -0.130 0.88 NaHCO3 7.681e-03 1.512e-02 -2.115 -1.820 0.294 31.20 - NaOH 6.197e-13 8.694e-13 -12.208 -12.061 0.147 (0) -O(0) 1.427e-15 - O2 7.134e-16 1.001e-15 -15.147 -15.000 0.147 32.51 +O(0) 5.184e-15 + O2 2.592e-15 3.636e-15 -14.586 -14.439 0.147 32.51 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(336 K, 1 atm) - CH4(g) -103.97 -106.97 -3.00 CH4 + CH4(g) -105.09 -108.09 -3.00 CH4 CO2(g) -4.96 -6.76 -1.80 CO2 - H2(g) -30.10 -33.24 -3.14 H2 + H2(g) -30.38 -33.52 -3.14 H2 H2O(g) -0.66 -0.01 0.65 H2O - O2(g) -11.93 -15.00 -3.07 O2 + O2(g) -11.37 -14.44 -3.07 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2959,18 +2918,18 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.987 Charge balance - pe = 4.083 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 67°C) = 114076 + pe = 4.099 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 67°C) = 113889 Density (g/cm³) = 1.02952 Volume (L) = 1.02294 - Viscosity (mPa s) = 0.52756 + Viscosity (mPa s) = 0.52925 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.467e+00 Mass of water (kg) = 9.997e-01 Total alkalinity (eq/kg) = 1.000e+00 Total CO2 (mol/kg) = 5.002e-01 Temperature (°C) = 66.58 - Electrical balance (eq) = -4.990e-12 + Electrical balance (eq) = -4.989e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110278e+02 @@ -2985,31 +2944,30 @@ Using temperature 1. H+ 1.436e-11 1.030e-11 -10.843 -10.987 -0.144 0.00 H2O 5.551e+01 9.742e-01 1.744 -0.011 0.000 18.39 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -108.215 -108.068 0.147 38.48 + CH4 0.000e+00 0.000e+00 -108.345 -108.198 0.147 38.48 C(4) 5.002e-01 CO3-2 4.758e-01 6.882e-02 -0.323 -1.162 -0.840 1.86 HCO3- 1.558e-02 9.608e-03 -1.807 -2.017 -0.210 27.93 NaHCO3 8.785e-03 1.727e-02 -2.056 -1.763 0.293 31.14 CO2 1.626e-07 2.032e-07 -6.789 -6.692 0.097 36.56 (CO2)2 1.597e-15 2.239e-15 -14.797 -14.650 0.147 73.13 -H(0) 5.083e-34 - H2 2.542e-34 3.563e-34 -33.595 -33.448 0.147 28.58 +H(0) 4.717e-34 + H2 2.358e-34 3.306e-34 -33.627 -33.481 0.147 28.58 Na 1.000e+00 Na+ 9.915e-01 7.317e-01 -0.004 -0.136 -0.132 0.94 NaHCO3 8.785e-03 1.727e-02 -2.056 -1.763 0.293 31.14 - NaOH 6.722e-13 9.423e-13 -12.173 -12.026 0.147 (0) -O(0) 2.656e-14 - O2 1.328e-14 1.862e-14 -13.877 -13.730 0.147 32.66 +O(0) 3.084e-14 + O2 1.542e-14 2.162e-14 -13.812 -13.665 0.147 32.66 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(339 K, 1 atm) - CH4(g) -105.06 -108.07 -3.00 CH4 + CH4(g) -105.19 -108.20 -3.00 CH4 CO2(g) -4.87 -6.69 -1.83 CO2 - H2(g) -30.31 -33.45 -3.14 H2 + H2(g) -30.34 -33.48 -3.14 H2 H2O(g) -0.59 -0.01 0.58 H2O - O2(g) -10.65 -13.73 -3.08 O2 + O2(g) -10.58 -13.67 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3029,11 +2987,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 10.950 Charge balance - pe = 4.130 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 119562 + pe = 4.132 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 70°C) = 119348 Density (g/cm³) = 1.02752 Volume (L) = 1.02492 - Viscosity (mPa s) = 0.50092 + Viscosity (mPa s) = 0.50268 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.464e+00 Mass of water (kg) = 9.997e-01 @@ -3055,31 +3013,30 @@ Using temperature 1. H+ 1.567e-11 1.123e-11 -10.805 -10.950 -0.145 0.00 H2O 5.551e+01 9.742e-01 1.744 -0.011 0.000 18.43 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -108.612 -108.466 0.146 38.72 + CH4 0.000e+00 0.000e+00 -108.630 -108.484 0.146 38.72 C(4) 5.002e-01 CO3-2 4.736e-01 6.770e-02 -0.325 -1.169 -0.845 1.68 HCO3- 1.660e-02 1.021e-02 -1.780 -1.991 -0.211 27.91 NaHCO3 1.002e-02 1.965e-02 -1.999 -1.707 0.293 31.07 CO2 1.917e-07 2.394e-07 -6.717 -6.621 0.097 36.77 (CO2)2 2.374e-15 3.325e-15 -14.625 -14.478 0.146 73.54 -H(0) 4.751e-34 - H2 2.375e-34 3.328e-34 -33.624 -33.478 0.146 28.58 +H(0) 4.703e-34 + H2 2.351e-34 3.294e-34 -33.629 -33.482 0.146 28.58 Na 1.000e+00 Na+ 9.903e-01 7.277e-01 -0.004 -0.138 -0.134 0.99 NaHCO3 1.002e-02 1.965e-02 -1.999 -1.707 0.293 31.07 - NaOH 7.282e-13 1.020e-12 -12.138 -11.991 0.146 (0) -O(0) 2.117e-13 - O2 1.059e-13 1.483e-13 -12.975 -12.829 0.146 32.79 +O(0) 2.161e-13 + O2 1.080e-13 1.514e-13 -12.966 -12.820 0.146 32.79 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(343 K, 1 atm) - CH4(g) -105.46 -108.47 -3.01 CH4 + CH4(g) -105.48 -108.48 -3.01 CH4 CO2(g) -4.77 -6.62 -1.85 CO2 - H2(g) -30.34 -33.48 -3.14 H2 + H2(g) -30.35 -33.48 -3.14 H2 H2O(g) -0.53 -0.01 0.51 H2O - O2(g) -9.74 -12.83 -3.09 O2 + O2(g) -9.73 -12.82 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3114,20 +3071,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 12.220 Charge balance - pe = -6.632 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 48453 + pe = 7.493 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 5°C) = 48433 Density (g/cm³) = 1.10465 Volume (L) = 1.00139 - Viscosity (mPa s) = 2.67304 + Viscosity (mPa s) = 2.67510 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.993e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 9.999e-01 Temperature (°C) = 5.00 - Electrical balance (eq) = -4.088e-09 + Electrical balance (eq) = -4.089e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 7 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3139,32 +3096,31 @@ Using temperature 1. OH- 5.689e-03 2.932e-03 -2.245 -2.533 -0.288 -0.92 H+ 8.345e-13 6.032e-13 -12.079 -12.220 -0.141 0.00 H2O 5.551e+01 9.489e-01 1.744 -0.023 0.000 18.02 -C(-4) 1.165e-26 - CH4 1.165e-26 2.320e-26 -25.934 -25.635 0.299 33.36 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -138.935 -138.636 0.299 33.36 C(4) 9.999e-01 CO3-2 9.942e-01 1.415e-01 -0.003 -0.849 -0.847 1.93 HCO3- 4.982e-03 3.060e-03 -2.303 -2.514 -0.212 31.39 NaHCO3 7.071e-04 2.806e-03 -3.151 -2.552 0.599 31.89 CO2 4.053e-09 6.387e-09 -8.392 -8.195 0.198 33.37 (CO2)2 1.790e-19 3.566e-19 -18.747 -18.448 0.299 66.74 -H(0) 5.871e-15 - H2 2.936e-15 5.849e-15 -14.532 -14.233 0.299 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.783 -42.483 0.299 28.63 Na 2.000e+00 Na+ 1.999e+00 1.936e+00 0.301 0.287 -0.014 -0.42 NaHCO3 7.071e-04 2.806e-03 -3.151 -2.552 0.599 31.89 - NaOH 2.849e-13 5.677e-13 -12.545 -12.246 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -71.178 -70.878 0.299 28.29 +O(0) 4.208e-15 + O2 2.104e-15 4.192e-15 -14.677 -14.378 0.299 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - CH4(g) -23.08 -25.63 -2.56 CH4 + CH4(g) -136.08 -138.64 -2.56 CH4 CO2(g) -7.00 -8.19 -1.19 CO2 - H2(g) -11.20 -14.23 -3.03 H2 + H2(g) -39.45 -42.48 -3.03 H2 H2O(g) -2.08 -0.02 2.06 H2O - O2(g) -68.16 -70.88 -2.71 O2 + O2(g) -11.66 -14.38 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3184,11 +3140,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 12.129 Charge balance - pe = -6.575 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 8°C) = 53609 + pe = 7.252 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 8°C) = 53584 Density (g/cm³) = 1.10338 Volume (L) = 1.00254 - Viscosity (mPa s) = 2.41794 + Viscosity (mPa s) = 2.42002 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.993e+00 Mass of water (kg) = 1.000e+00 @@ -3197,7 +3153,7 @@ Using temperature 1. Temperature (°C) = 8.42 Electrical balance (eq) = -4.087e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 7 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3209,32 +3165,31 @@ Using temperature 1. OH- 6.346e-03 3.262e-03 -2.198 -2.487 -0.289 -0.52 H+ 1.029e-12 7.428e-13 -11.988 -12.129 -0.141 0.00 H2O 5.551e+01 9.489e-01 1.744 -0.023 0.000 18.02 -C(-4) 8.550e-27 - CH4 8.550e-27 1.703e-26 -26.068 -25.769 0.299 33.80 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -136.687 -136.388 0.299 33.80 C(4) 9.999e-01 CO3-2 9.936e-01 1.404e-01 -0.003 -0.853 -0.850 2.53 HCO3- 5.480e-03 3.360e-03 -2.261 -2.474 -0.212 30.98 NaHCO3 8.651e-04 3.432e-03 -3.063 -2.464 0.599 31.87 CO2 5.031e-09 7.927e-09 -8.298 -8.101 0.198 33.57 (CO2)2 3.170e-19 6.314e-19 -18.499 -18.200 0.299 67.14 -H(0) 6.604e-15 - H2 3.302e-15 6.577e-15 -14.481 -14.182 0.299 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.136 -41.837 0.299 28.63 Na 2.000e+00 Na+ 1.999e+00 1.931e+00 0.301 0.286 -0.015 -0.21 NaHCO3 8.651e-04 3.432e-03 -3.063 -2.464 0.599 31.87 - NaOH 3.163e-13 6.300e-13 -12.500 -12.201 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.026 -69.727 0.299 28.75 +O(0) 3.840e-15 + O2 1.920e-15 3.824e-15 -14.717 -14.417 0.299 28.75 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(281 K, 1 atm) - CH4(g) -23.16 -25.77 -2.61 CH4 + CH4(g) -133.78 -136.39 -2.61 CH4 CO2(g) -6.86 -8.10 -1.25 CO2 - H2(g) -11.13 -14.18 -3.05 H2 + H2(g) -38.79 -41.84 -3.05 H2 H2O(g) -1.98 -0.02 1.96 H2O - O2(g) -66.98 -69.73 -2.75 O2 + O2(g) -11.67 -14.42 -2.75 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3254,11 +3209,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 12.043 Charge balance - pe = -6.540 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 12°C) = 59035 + pe = 7.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 12°C) = 59005 Density (g/cm³) = 1.10210 Volume (L) = 1.00370 - Viscosity (mPa s) = 2.19490 + Viscosity (mPa s) = 2.19699 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.992e+00 Mass of water (kg) = 1.000e+00 @@ -3267,7 +3222,7 @@ Using temperature 1. Temperature (°C) = 11.84 Electrical balance (eq) = -4.087e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 7 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3279,32 +3234,31 @@ Using temperature 1. OH- 7.069e-03 3.624e-03 -2.151 -2.441 -0.290 -0.18 H+ 1.256e-12 9.058e-13 -11.901 -12.043 -0.142 0.00 H2O 5.551e+01 9.489e-01 1.744 -0.023 0.000 18.02 -C(-4) 8.786e-27 - CH4 8.786e-27 1.750e-26 -26.056 -25.757 0.299 34.19 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -135.885 -135.586 0.299 34.19 C(4) 9.999e-01 CO3-2 9.929e-01 1.392e-01 -0.003 -0.856 -0.853 3.03 HCO3- 6.016e-03 3.681e-03 -2.221 -2.434 -0.213 30.65 NaHCO3 1.053e-03 4.177e-03 -2.977 -2.379 0.598 31.84 CO2 6.229e-09 9.814e-09 -8.206 -8.008 0.197 33.76 (CO2)2 5.555e-19 1.106e-18 -18.255 -17.956 0.299 67.52 -H(0) 8.061e-15 - H2 4.031e-15 8.027e-15 -14.395 -14.095 0.299 28.62 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -41.852 -41.553 0.299 28.62 Na 2.000e+00 Na+ 1.999e+00 1.926e+00 0.301 0.285 -0.016 -0.03 NaHCO3 1.053e-03 4.177e-03 -2.977 -2.379 0.598 31.84 - NaOH 3.505e-13 6.981e-13 -12.455 -12.156 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.976 -68.677 0.299 29.16 +O(0) 1.735e-14 + O2 8.677e-15 1.728e-14 -14.062 -13.762 0.299 29.16 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(284 K, 1 atm) - CH4(g) -23.10 -25.76 -2.66 CH4 + CH4(g) -132.93 -135.59 -2.66 CH4 CO2(g) -6.71 -8.01 -1.30 CO2 - H2(g) -11.03 -14.10 -3.06 H2 + H2(g) -38.49 -41.55 -3.06 H2 H2O(g) -1.88 -0.02 1.86 H2O - O2(g) -65.89 -68.68 -2.78 O2 + O2(g) -10.98 -13.76 -2.78 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3324,20 +3278,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.961 Charge balance - pe = -6.422 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 64728 + pe = 7.425 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 15°C) = 64691 Density (g/cm³) = 1.10080 Volume (L) = 1.00489 - Viscosity (mPa s) = 1.99924 + Viscosity (mPa s) = 2.00135 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.991e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 15.26 - Electrical balance (eq) = -4.640e-09 + Electrical balance (eq) = -4.112e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 6 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3349,32 +3303,31 @@ Using temperature 1. OH- 7.865e-03 4.021e-03 -2.104 -2.396 -0.291 0.12 H+ 1.520e-12 1.095e-12 -11.818 -11.961 -0.143 0.00 H2O 5.551e+01 9.489e-01 1.744 -0.023 0.000 18.03 -C(-4) 1.803e-27 - CH4 1.803e-27 3.590e-27 -26.744 -26.445 0.299 34.55 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -137.516 -137.217 0.299 34.55 C(4) 1.000e+00 CO3-2 9.921e-01 1.380e-01 -0.003 -0.860 -0.857 3.44 HCO3- 6.589e-03 4.024e-03 -2.181 -2.395 -0.214 30.38 NaHCO3 1.276e-03 5.058e-03 -2.894 -2.296 0.598 31.81 CO2 7.691e-09 1.212e-08 -8.114 -7.917 0.197 33.94 (CO2)2 9.632e-19 1.918e-18 -18.016 -17.717 0.299 67.89 -H(0) 6.565e-15 - H2 3.282e-15 6.535e-15 -14.484 -14.185 0.299 28.62 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.177 -41.878 0.299 28.62 Na 2.000e+00 Na+ 1.999e+00 1.921e+00 0.301 0.283 -0.017 0.12 NaHCO3 1.276e-03 5.058e-03 -2.894 -2.296 0.598 31.81 - NaOH 3.879e-13 7.724e-13 -12.411 -12.112 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.604 -67.304 0.299 29.53 +O(0) 1.213e-12 + O2 6.063e-13 1.207e-12 -12.217 -11.918 0.299 29.53 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(288 K, 1 atm) - CH4(g) -23.75 -26.44 -2.70 CH4 + CH4(g) -134.52 -137.22 -2.70 CH4 CO2(g) -6.57 -7.92 -1.34 CO2 - H2(g) -11.11 -14.18 -3.07 H2 + H2(g) -38.80 -41.88 -3.07 H2 H2O(g) -1.78 -0.02 1.76 H2O - O2(g) -64.49 -67.30 -2.81 O2 + O2(g) -9.10 -11.92 -2.81 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3394,20 +3347,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.882 Charge balance - pe = -6.390 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 19°C) = 70682 + pe = 6.588 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 19°C) = 70637 Density (g/cm³) = 1.09947 Volume (L) = 1.00611 - Viscosity (mPa s) = 1.82696 + Viscosity (mPa s) = 1.82912 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.990e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 18.68 - Electrical balance (eq) = -4.089e-09 + Electrical balance (eq) = -4.090e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3419,32 +3372,31 @@ Using temperature 1. OH- 8.741e-03 4.456e-03 -2.058 -2.351 -0.293 0.37 H+ 1.823e-12 1.311e-12 -11.739 -11.882 -0.143 0.00 H2O 5.551e+01 9.489e-01 1.744 -0.023 0.000 18.04 -C(-4) 1.737e-27 - CH4 1.737e-27 3.457e-27 -26.760 -26.461 0.299 34.89 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -130.583 -130.284 0.299 34.89 C(4) 1.000e+00 CO3-2 9.912e-01 1.368e-01 -0.004 -0.864 -0.860 3.78 HCO3- 7.202e-03 4.390e-03 -2.143 -2.358 -0.215 30.16 NaHCO3 1.539e-03 6.096e-03 -2.813 -2.215 0.598 31.79 CO2 9.470e-09 1.492e-08 -8.024 -7.826 0.197 34.12 (CO2)2 1.653e-18 3.290e-18 -17.782 -17.483 0.299 68.24 -H(0) 7.852e-15 - H2 3.926e-15 7.814e-15 -14.406 -14.107 0.299 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.362 -40.063 0.299 28.61 Na 2.000e+00 Na+ 1.998e+00 1.915e+00 0.301 0.282 -0.018 0.26 NaHCO3 1.539e-03 6.096e-03 -2.813 -2.215 0.598 31.79 - NaOH 4.287e-13 8.534e-13 -12.368 -12.069 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.593 -66.294 0.299 29.86 +O(0) 4.165e-15 + O2 2.083e-15 4.146e-15 -14.681 -14.382 0.299 29.86 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(291 K, 1 atm) - CH4(g) -23.72 -26.46 -2.74 CH4 + CH4(g) -127.55 -130.28 -2.74 CH4 CO2(g) -6.44 -7.83 -1.39 CO2 - H2(g) -11.02 -14.11 -3.08 H2 + H2(g) -36.98 -40.06 -3.08 H2 H2O(g) -1.69 -0.02 1.67 H2O - O2(g) -63.45 -66.29 -2.84 O2 + O2(g) -11.54 -14.38 -2.84 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3464,11 +3416,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.808 Charge balance - pe = -6.296 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 22°C) = 76894 + pe = 6.369 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 22°C) = 76840 Density (g/cm³) = 1.09810 Volume (L) = 1.00736 - Viscosity (mPa s) = 1.67470 + Viscosity (mPa s) = 1.67690 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.988e+00 Mass of water (kg) = 1.000e+00 @@ -3477,7 +3429,7 @@ Using temperature 1. Temperature (°C) = 22.11 Electrical balance (eq) = -4.086e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3489,32 +3441,31 @@ Using temperature 1. OH- 9.703e-03 4.931e-03 -2.013 -2.307 -0.294 0.59 H+ 2.168e-12 1.557e-12 -11.664 -11.808 -0.144 0.00 H2O 5.551e+01 9.489e-01 1.744 -0.023 0.000 18.06 -C(-4) 4.986e-28 - CH4 4.986e-28 9.921e-28 -27.302 -27.003 0.299 35.20 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -128.620 -128.321 0.299 35.20 C(4) 1.000e+00 CO3-2 9.903e-01 1.355e-01 -0.004 -0.868 -0.864 4.06 HCO3- 7.856e-03 4.778e-03 -2.105 -2.321 -0.216 29.99 NaHCO3 1.847e-03 7.312e-03 -2.734 -2.136 0.598 31.75 CO2 1.163e-08 1.831e-08 -7.935 -7.737 0.197 34.29 (CO2)2 2.806e-18 5.584e-18 -17.552 -17.253 0.299 68.58 -H(0) 6.925e-15 - H2 3.462e-15 6.890e-15 -14.461 -14.162 0.299 28.61 +H(0) 3.243e-40 + H2 1.622e-40 3.227e-40 -39.790 -39.491 0.299 28.61 Na 2.000e+00 Na+ 1.998e+00 1.909e+00 0.301 0.281 -0.020 0.38 NaHCO3 1.847e-03 7.312e-03 -2.734 -2.136 0.598 31.75 - NaOH 4.732e-13 9.416e-13 -12.325 -12.026 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.344 -65.045 0.299 30.17 +O(0) 4.128e-15 + O2 2.064e-15 4.107e-15 -14.685 -14.386 0.299 30.17 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(295 K, 1 atm) - CH4(g) -24.23 -27.00 -2.77 CH4 + CH4(g) -125.55 -128.32 -2.77 CH4 CO2(g) -6.30 -7.74 -1.43 CO2 - H2(g) -11.07 -14.16 -3.09 H2 + H2(g) -36.40 -39.49 -3.09 H2 H2O(g) -1.60 -0.02 1.58 H2O - O2(g) -62.17 -65.05 -2.87 O2 + O2(g) -11.52 -14.39 -2.87 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3534,20 +3485,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.737 Charge balance - pe = -6.206 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 26°C) = 83361 + pe = 6.399 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 26°C) = 83297 Density (g/cm³) = 1.09670 Volume (L) = 1.00865 - Viscosity (mPa s) = 1.53962 + Viscosity (mPa s) = 1.54187 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.987e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 25.53 - Electrical balance (eq) = -5.121e-09 + Electrical balance (eq) = -5.145e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 4 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3559,32 +3510,31 @@ Using temperature 1. OH- 1.076e-02 5.451e-03 -1.968 -2.264 -0.295 0.78 H+ 2.557e-12 1.834e-12 -11.592 -11.737 -0.144 0.00 H2O 5.551e+01 9.489e-01 1.744 -0.023 0.000 18.07 -C(-4) 1.473e-28 - CH4 1.473e-28 2.930e-28 -27.832 -27.533 0.299 35.50 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -128.669 -128.370 0.299 35.50 C(4) 1.000e+00 CO3-2 9.892e-01 1.341e-01 -0.005 -0.873 -0.868 4.28 HCO3- 8.552e-03 5.189e-03 -2.068 -2.285 -0.217 29.86 NaHCO3 2.206e-03 8.732e-03 -2.656 -2.059 0.597 31.72 CO2 1.423e-08 2.241e-08 -7.847 -7.650 0.197 34.46 (CO2)2 4.714e-18 9.377e-18 -17.327 -17.028 0.299 68.92 -H(0) 6.139e-15 - H2 3.069e-15 6.106e-15 -14.513 -14.214 0.299 28.61 +H(0) 3.792e-40 + H2 1.896e-40 3.772e-40 -39.722 -39.423 0.299 28.61 Na 2.000e+00 Na+ 1.998e+00 1.903e+00 0.301 0.279 -0.021 0.49 NaHCO3 2.206e-03 8.732e-03 -2.656 -2.059 0.597 31.72 - NaOH 5.215e-13 1.037e-12 -12.283 -11.984 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.126 -63.828 0.299 30.44 +O(0) 3.919e-14 + O2 1.960e-14 3.898e-14 -13.708 -13.409 0.299 30.44 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - CH4(g) -24.73 -27.53 -2.81 CH4 + CH4(g) -125.56 -128.37 -2.81 CH4 CO2(g) -6.18 -7.65 -1.47 CO2 - H2(g) -11.11 -14.21 -3.10 H2 + H2(g) -36.32 -39.42 -3.10 H2 H2O(g) -1.51 -0.02 1.49 H2O - O2(g) -60.93 -63.83 -2.90 O2 + O2(g) -10.51 -13.41 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3604,20 +3554,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.669 Charge balance - pe = -6.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 29°C) = 90079 + pe = 6.347 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 29°C) = 90002 Density (g/cm³) = 1.09525 Volume (L) = 1.00998 - Viscosity (mPa s) = 1.41933 + Viscosity (mPa s) = 1.42164 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.986e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 28.95 - Electrical balance (eq) = -4.092e-09 + Electrical balance (eq) = -4.090e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3629,32 +3579,31 @@ Using temperature 1. OH- 1.192e-02 6.018e-03 -1.924 -2.221 -0.297 0.94 H+ 2.994e-12 2.144e-12 -11.524 -11.669 -0.145 0.00 H2O 5.551e+01 9.488e-01 1.744 -0.023 0.000 18.09 -C(-4) 1.332e-28 - CH4 1.332e-28 2.650e-28 -27.875 -27.577 0.299 35.78 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -128.086 -127.788 0.299 35.78 C(4) 1.000e+00 CO3-2 9.881e-01 1.327e-01 -0.005 -0.877 -0.872 4.45 HCO3- 9.292e-03 5.625e-03 -2.032 -2.250 -0.218 29.75 NaHCO3 2.625e-03 1.038e-02 -2.581 -1.984 0.597 31.69 CO2 1.737e-08 2.734e-08 -7.760 -7.563 0.197 34.62 (CO2)2 7.835e-18 1.558e-17 -17.106 -16.807 0.299 69.25 -H(0) 7.185e-15 - H2 3.592e-15 7.144e-15 -14.445 -14.146 0.299 28.60 +H(0) 6.364e-40 + H2 3.182e-40 6.328e-40 -39.497 -39.199 0.299 28.60 Na 2.000e+00 Na+ 1.997e+00 1.897e+00 0.300 0.278 -0.022 0.59 NaHCO3 2.625e-03 1.038e-02 -2.581 -1.984 0.597 31.69 - NaOH 5.740e-13 1.141e-12 -12.241 -11.943 0.299 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.175 -62.876 0.299 30.70 +O(0) 1.705e-13 + O2 8.523e-14 1.695e-13 -13.069 -12.771 0.299 30.70 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(302 K, 1 atm) - CH4(g) -24.74 -27.58 -2.84 CH4 + CH4(g) -124.95 -127.79 -2.84 CH4 CO2(g) -6.05 -7.56 -1.51 CO2 - H2(g) -11.04 -14.15 -3.11 H2 + H2(g) -36.09 -39.20 -3.11 H2 H2O(g) -1.43 -0.02 1.40 H2O - O2(g) -59.96 -62.88 -2.92 O2 + O2(g) -9.85 -12.77 -2.92 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3674,20 +3623,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.604 Charge balance - pe = -6.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 32°C) = 97043 + pe = 6.314 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 32°C) = 96952 Density (g/cm³) = 1.09376 Volume (L) = 1.01136 - Viscosity (mPa s) = 1.31186 + Viscosity (mPa s) = 1.31421 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.984e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 32.37 - Electrical balance (eq) = -4.415e-09 + Electrical balance (eq) = -4.087e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3699,32 +3648,31 @@ Using temperature 1. OH- 1.319e-02 6.636e-03 -1.880 -2.178 -0.298 1.07 H+ 3.479e-12 2.487e-12 -11.459 -11.604 -0.146 0.00 H2O 5.551e+01 9.488e-01 1.744 -0.023 0.000 18.11 -C(-4) 6.487e-29 - CH4 6.487e-29 1.290e-28 -28.188 -27.890 0.298 36.05 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -127.671 -127.373 0.298 36.05 C(4) 1.000e+00 CO3-2 9.869e-01 1.313e-01 -0.006 -0.882 -0.876 4.57 HCO3- 1.008e-02 6.085e-03 -1.997 -2.216 -0.219 29.68 NaHCO3 3.110e-03 1.229e-02 -2.507 -1.910 0.597 31.65 CO2 2.113e-08 3.325e-08 -7.675 -7.478 0.197 34.79 (CO2)2 1.289e-17 2.562e-17 -16.890 -16.591 0.298 69.58 -H(0) 7.189e-15 - H2 3.594e-15 7.145e-15 -14.444 -14.146 0.298 28.60 +H(0) 9.680e-40 + H2 4.840e-40 9.621e-40 -39.315 -39.017 0.298 28.60 Na 2.000e+00 Na+ 1.997e+00 1.890e+00 0.300 0.276 -0.024 0.68 NaHCO3 3.110e-03 1.229e-02 -2.507 -1.910 0.597 31.65 - NaOH 6.310e-13 1.254e-12 -12.200 -11.902 0.298 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.111 -61.813 0.298 30.93 +O(0) 8.535e-13 + O2 4.267e-13 8.483e-13 -12.370 -12.071 0.298 30.93 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(305 K, 1 atm) - CH4(g) -25.03 -27.89 -2.86 CH4 + CH4(g) -124.51 -127.37 -2.86 CH4 CO2(g) -5.93 -7.48 -1.55 CO2 - H2(g) -11.03 -14.15 -3.12 H2 + H2(g) -35.90 -39.02 -3.12 H2 H2O(g) -1.34 -0.02 1.32 H2O - O2(g) -58.87 -61.81 -2.94 O2 + O2(g) -9.13 -12.07 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3744,11 +3692,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.543 Charge balance - pe = -6.051 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 36°C) = 104251 + pe = 5.524 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 36°C) = 104142 Density (g/cm³) = 1.09222 Volume (L) = 1.01278 - Viscosity (mPa s) = 1.21548 + Viscosity (mPa s) = 1.21791 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.982e+00 Mass of water (kg) = 9.999e-01 @@ -3757,7 +3705,7 @@ Using temperature 1. Temperature (°C) = 35.79 Electrical balance (eq) = -4.087e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3769,32 +3717,31 @@ Using temperature 1. OH- 1.458e-02 7.310e-03 -1.836 -2.136 -0.300 1.19 H+ 4.014e-12 2.865e-12 -11.396 -11.543 -0.146 0.00 H2O 5.551e+01 9.488e-01 1.744 -0.023 0.000 18.13 -C(-4) 2.345e-29 - CH4 2.345e-29 4.660e-29 -28.630 -28.332 0.298 36.31 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -121.229 -120.931 0.298 36.31 C(4) 1.000e+00 CO3-2 9.855e-01 1.298e-01 -0.006 -0.887 -0.880 4.66 HCO3- 1.091e-02 6.570e-03 -1.962 -2.182 -0.220 29.62 NaHCO3 3.669e-03 1.449e-02 -2.435 -1.839 0.596 31.61 CO2 2.562e-08 4.031e-08 -7.591 -7.395 0.197 34.96 (CO2)2 2.098e-17 4.168e-17 -16.678 -16.380 0.298 69.91 -H(0) 6.664e-15 - H2 3.332e-15 6.621e-15 -14.477 -14.179 0.298 28.60 +H(0) 4.719e-38 + H2 2.359e-38 4.688e-38 -37.627 -37.329 0.298 28.60 Na 2.000e+00 Na+ 1.996e+00 1.883e+00 0.300 0.275 -0.025 0.76 NaHCO3 3.669e-03 1.449e-02 -2.435 -1.839 0.596 31.61 - NaOH 6.928e-13 1.377e-12 -12.159 -11.861 0.298 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.005 -60.707 0.298 31.15 +O(0) 3.941e-15 + O2 1.970e-15 3.915e-15 -14.705 -14.407 0.298 31.15 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(308 K, 1 atm) - CH4(g) -25.45 -28.33 -2.89 CH4 + CH4(g) -118.05 -120.93 -2.89 CH4 CO2(g) -5.81 -7.39 -1.58 CO2 - H2(g) -11.06 -14.18 -3.12 H2 + H2(g) -34.21 -37.33 -3.12 H2 H2O(g) -1.26 -0.02 1.24 H2O - O2(g) -57.75 -60.71 -2.96 O2 + O2(g) -11.45 -14.41 -2.96 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3814,11 +3761,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.484 Charge balance - pe = -6.003 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 39°C) = 111697 + pe = 5.311 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 39°C) = 111567 Density (g/cm³) = 1.09063 Volume (L) = 1.01426 - Viscosity (mPa s) = 1.12880 + Viscosity (mPa s) = 1.13132 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.980e+00 Mass of water (kg) = 9.999e-01 @@ -3827,7 +3774,7 @@ Using temperature 1. Temperature (°C) = 39.21 Electrical balance (eq) = -4.087e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3839,32 +3786,31 @@ Using temperature 1. OH- 1.609e-02 8.043e-03 -1.793 -2.095 -0.301 1.28 H+ 4.601e-12 3.279e-12 -11.337 -11.484 -0.147 0.00 H2O 5.551e+01 9.488e-01 1.744 -0.023 0.000 18.15 -C(-4) 1.239e-29 - CH4 1.239e-29 2.461e-29 -28.907 -28.609 0.298 36.56 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -119.417 -119.119 0.298 36.56 C(4) 1.000e+00 CO3-2 9.840e-01 1.283e-01 -0.007 -0.892 -0.885 4.71 HCO3- 1.178e-02 7.080e-03 -1.929 -2.150 -0.221 29.59 NaHCO3 4.312e-03 1.701e-02 -2.365 -1.769 0.596 31.57 CO2 3.097e-08 4.871e-08 -7.509 -7.312 0.197 35.12 (CO2)2 3.380e-17 6.712e-17 -16.471 -16.173 0.298 70.24 -H(0) 6.781e-15 - H2 3.390e-15 6.733e-15 -14.470 -14.172 0.298 28.59 +H(0) 1.599e-37 + H2 7.994e-38 1.588e-37 -37.097 -36.799 0.298 28.59 Na 2.000e+00 Na+ 1.996e+00 1.876e+00 0.300 0.273 -0.027 0.84 NaHCO3 4.312e-03 1.701e-02 -2.365 -1.769 0.596 31.57 - NaOH 7.597e-13 1.509e-12 -12.119 -11.821 0.298 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.003 -59.705 0.298 31.35 +O(0) 3.576e-15 + O2 1.788e-15 3.551e-15 -14.748 -14.450 0.298 31.35 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(312 K, 1 atm) - CH4(g) -25.70 -28.61 -2.91 CH4 + CH4(g) -116.21 -119.12 -2.91 CH4 CO2(g) -5.69 -7.31 -1.62 CO2 - H2(g) -11.05 -14.17 -3.13 H2 + H2(g) -33.67 -36.80 -3.13 H2 H2O(g) -1.18 -0.02 1.16 H2O - O2(g) -56.72 -59.70 -2.98 O2 + O2(g) -11.47 -14.45 -2.98 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3884,20 +3830,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.429 Charge balance - pe = -5.994 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 43°C) = 119375 + pe = 5.217 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 43°C) = 119221 Density (g/cm³) = 1.08900 Volume (L) = 1.01578 - Viscosity (mPa s) = 1.05061 + Viscosity (mPa s) = 1.05321 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.978e+00 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 42.63 - Electrical balance (eq) = -4.088e-09 + Electrical balance (eq) = -4.089e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3909,32 +3855,31 @@ Using temperature 1. OH- 1.776e-02 8.840e-03 -1.751 -2.054 -0.303 1.36 H+ 5.239e-12 3.727e-12 -11.281 -11.429 -0.148 0.00 H2O 5.551e+01 9.488e-01 1.744 -0.023 0.000 18.18 -C(-4) 1.287e-29 - CH4 1.287e-29 2.556e-29 -28.890 -28.593 0.298 36.81 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -118.574 -118.276 0.298 36.81 C(4) 1.000e+00 CO3-2 9.824e-01 1.267e-01 -0.008 -0.897 -0.889 4.73 HCO3- 1.271e-02 7.616e-03 -1.896 -2.118 -0.222 29.56 NaHCO3 5.047e-03 1.989e-02 -2.297 -1.701 0.596 31.52 CO2 3.733e-08 5.869e-08 -7.428 -7.231 0.197 35.29 (CO2)2 5.390e-17 1.070e-16 -16.268 -15.971 0.298 70.58 -H(0) 8.155e-15 - H2 4.077e-15 8.093e-15 -14.390 -14.092 0.298 28.59 +H(0) 3.094e-37 + H2 1.547e-37 3.071e-37 -36.810 -36.513 0.298 28.59 Na 2.000e+00 Na+ 1.995e+00 1.868e+00 0.300 0.271 -0.029 0.91 NaHCO3 5.047e-03 1.989e-02 -2.297 -1.701 0.596 31.52 - NaOH 8.320e-13 1.652e-12 -12.080 -11.782 0.298 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.167 -58.870 0.298 31.55 +O(0) 9.450e-15 + O2 4.725e-15 9.379e-15 -14.326 -14.028 0.298 31.55 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(315 K, 1 atm) - CH4(g) -25.67 -28.59 -2.93 CH4 + CH4(g) -115.35 -118.28 -2.93 CH4 CO2(g) -5.58 -7.23 -1.65 CO2 - H2(g) -10.96 -14.09 -3.13 H2 + H2(g) -33.38 -36.51 -3.13 H2 H2O(g) -1.10 -0.02 1.08 H2O - O2(g) -55.87 -58.87 -3.00 O2 + O2(g) -11.03 -14.03 -3.00 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3954,20 +3899,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.376 Charge balance - pe = -5.903 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 46°C) = 127280 + pe = 5.219 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 46°C) = 127098 Density (g/cm³) = 1.08732 Volume (L) = 1.01735 - Viscosity (mPa s) = 0.97988 + Viscosity (mPa s) = 0.98258 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.975e+00 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 46.05 - Electrical balance (eq) = -4.097e-09 + Electrical balance (eq) = -4.096e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -3979,32 +3924,31 @@ Using temperature 1. OH- 1.957e-02 9.706e-03 -1.708 -2.013 -0.304 1.41 H+ 5.929e-12 4.210e-12 -11.227 -11.376 -0.149 0.00 H2O 5.551e+01 9.488e-01 1.744 -0.023 0.000 18.20 -C(-4) 2.851e-30 - CH4 2.851e-30 5.656e-30 -29.545 -29.247 0.298 37.05 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -118.523 -118.226 0.298 37.05 C(4) 1.000e+00 CO3-2 9.806e-01 1.251e-01 -0.009 -0.903 -0.894 4.71 HCO3- 1.368e-02 8.177e-03 -1.864 -2.087 -0.224 29.56 NaHCO3 5.886e-03 2.316e-02 -2.230 -1.635 0.595 31.47 CO2 4.484e-08 7.048e-08 -7.348 -7.152 0.196 35.46 (CO2)2 8.510e-17 1.688e-16 -16.070 -15.773 0.298 70.92 -H(0) 6.652e-15 - H2 3.326e-15 6.598e-15 -14.478 -14.181 0.298 28.59 +H(0) 3.788e-37 + H2 1.894e-37 3.757e-37 -36.723 -36.425 0.298 28.59 Na 2.000e+00 Na+ 1.994e+00 1.860e+00 0.300 0.270 -0.030 0.97 NaHCO3 5.886e-03 2.316e-02 -2.230 -1.635 0.595 31.47 - NaOH 9.102e-13 1.806e-12 -12.041 -11.743 0.298 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.016 -57.718 0.298 31.73 +O(0) 5.945e-14 + O2 2.972e-14 5.897e-14 -13.527 -13.229 0.298 31.73 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(319 K, 1 atm) - CH4(g) -26.30 -29.25 -2.94 CH4 + CH4(g) -115.28 -118.23 -2.94 CH4 CO2(g) -5.47 -7.15 -1.68 CO2 - H2(g) -11.05 -14.18 -3.13 H2 + H2(g) -33.29 -36.43 -3.13 H2 H2O(g) -1.02 -0.02 1.00 H2O - O2(g) -54.70 -57.72 -3.01 O2 + O2(g) -10.22 -13.23 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4024,11 +3968,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.325 Charge balance - pe = -5.863 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 49°C) = 135405 + pe = 5.041 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 49°C) = 135189 Density (g/cm³) = 1.08559 Volume (L) = 1.01897 - Viscosity (mPa s) = 0.91573 + Viscosity (mPa s) = 0.91854 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.972e+00 Mass of water (kg) = 9.998e-01 @@ -4037,7 +3981,7 @@ Using temperature 1. Temperature (°C) = 49.47 Electrical balance (eq) = -4.087e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -4049,32 +3993,31 @@ Using temperature 1. OH- 2.154e-02 1.064e-02 -1.667 -1.973 -0.306 1.46 H+ 6.669e-12 4.728e-12 -11.176 -11.325 -0.149 0.00 H2O 5.551e+01 9.487e-01 1.744 -0.023 0.000 18.23 -C(-4) 1.560e-30 - CH4 1.560e-30 3.092e-30 -29.807 -29.510 0.297 37.29 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -117.039 -116.742 0.297 37.29 C(4) 1.000e+00 CO3-2 9.787e-01 1.235e-01 -0.009 -0.908 -0.899 4.67 HCO3- 1.470e-02 8.764e-03 -1.833 -2.057 -0.225 29.56 NaHCO3 6.839e-03 2.688e-02 -2.165 -1.571 0.594 31.43 CO2 5.370e-08 8.437e-08 -7.270 -7.074 0.196 35.63 (CO2)2 1.330e-16 2.638e-16 -15.876 -15.579 0.297 71.27 -H(0) 6.791e-15 - H2 3.396e-15 6.732e-15 -14.469 -14.172 0.297 28.59 +H(0) 1.057e-36 + H2 5.284e-37 1.048e-36 -36.277 -35.980 0.297 28.59 Na 2.000e+00 Na+ 1.994e+00 1.852e+00 0.300 0.268 -0.032 1.03 NaHCO3 6.839e-03 2.688e-02 -2.165 -1.571 0.594 31.43 - NaOH 9.944e-13 1.972e-12 -12.002 -11.705 0.297 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.080 -56.783 0.297 31.90 +O(0) 6.869e-14 + O2 3.434e-14 6.809e-14 -13.464 -13.167 0.297 31.90 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(322 K, 1 atm) - CH4(g) -26.55 -29.51 -2.96 CH4 + CH4(g) -113.78 -116.74 -2.96 CH4 CO2(g) -5.37 -7.07 -1.71 CO2 - H2(g) -11.04 -14.17 -3.14 H2 + H2(g) -32.84 -35.98 -3.14 H2 H2O(g) -0.95 -0.02 0.93 H2O - O2(g) -53.75 -56.78 -3.03 O2 + O2(g) -10.14 -13.17 -3.03 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4094,20 +4037,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.278 Charge balance - pe = -5.831 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 53°C) = 143741 + pe = 4.532 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 53°C) = 143488 Density (g/cm³) = 1.08381 Volume (L) = 1.02064 - Viscosity (mPa s) = 0.85741 + Viscosity (mPa s) = 0.86033 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.969e+00 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 2.000e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 52.89 - Electrical balance (eq) = -4.284e-09 + Electrical balance (eq) = -5.897e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 4 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -4119,32 +4062,31 @@ Using temperature 1. OH- 2.370e-02 1.166e-02 -1.625 -1.933 -0.308 1.48 H+ 7.460e-12 5.278e-12 -11.127 -11.278 -0.150 0.00 H2O 5.551e+01 9.487e-01 1.744 -0.023 0.000 18.26 -C(-4) 9.414e-31 - CH4 9.414e-31 1.865e-30 -30.026 -29.729 0.297 37.53 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -112.933 -112.636 0.297 37.53 C(4) 1.000e+00 CO3-2 9.765e-01 1.218e-01 -0.010 -0.914 -0.904 4.61 HCO3- 1.578e-02 9.377e-03 -1.802 -2.028 -0.226 29.57 NaHCO3 7.918e-03 3.108e-02 -2.101 -1.508 0.594 31.37 CO2 6.412e-08 1.007e-07 -7.193 -6.997 0.196 35.81 (CO2)2 2.060e-16 4.081e-16 -15.686 -15.389 0.297 71.62 -H(0) 7.094e-15 - H2 3.547e-15 7.027e-15 -14.450 -14.153 0.297 28.59 +H(0) 1.331e-35 + H2 6.654e-36 1.318e-35 -35.177 -34.880 0.297 28.59 Na 2.000e+00 Na+ 1.993e+00 1.843e+00 0.299 0.266 -0.034 1.08 NaHCO3 7.918e-03 3.108e-02 -2.101 -1.508 0.594 31.37 - NaOH 1.085e-12 2.150e-12 -11.964 -11.668 0.297 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.184 -55.887 0.297 32.06 +O(0) 3.720e-15 + O2 1.860e-15 3.685e-15 -14.730 -14.434 0.297 32.06 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(326 K, 1 atm) - CH4(g) -26.76 -29.73 -2.97 CH4 + CH4(g) -109.67 -112.64 -2.97 CH4 CO2(g) -5.26 -7.00 -1.73 CO2 - H2(g) -11.02 -14.15 -3.14 H2 + H2(g) -31.74 -34.88 -3.14 H2 H2O(g) -0.88 -0.02 0.85 H2O - O2(g) -52.85 -55.89 -3.04 O2 + O2(g) -11.39 -14.43 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4164,20 +4106,20 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.232 Charge balance - pe = -6.044 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 56°C) = 152281 + pe = 4.349 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 56°C) = 151984 Density (g/cm³) = 1.08198 Volume (L) = 1.02237 - Viscosity (mPa s) = 0.80427 + Viscosity (mPa s) = 0.80731 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.966e+00 Mass of water (kg) = 9.997e-01 Total alkalinity (eq/kg) = 2.001e+00 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 56.32 - Electrical balance (eq) = -4.094e-09 + Electrical balance (eq) = -4.087e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 5 Total H = 1.110336e+02 Total O = 5.851681e+01 @@ -4189,32 +4131,31 @@ Using temperature 1. OH- 2.604e-02 1.276e-02 -1.584 -1.894 -0.310 1.50 H+ 8.298e-12 5.860e-12 -11.081 -11.232 -0.151 0.00 H2O 5.551e+01 9.487e-01 1.744 -0.023 0.000 18.29 -C(-4) 5.041e-29 - CH4 5.041e-29 9.979e-29 -28.297 -28.001 0.297 37.77 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -111.440 -111.143 0.297 37.77 C(4) 1.000e+00 CO3-2 9.742e-01 1.201e-01 -0.011 -0.920 -0.909 4.51 HCO3- 1.690e-02 1.002e-02 -1.772 -1.999 -0.227 29.59 NaHCO3 9.136e-03 3.580e-02 -2.039 -1.446 0.593 31.32 CO2 7.632e-08 1.198e-07 -7.117 -6.922 0.196 35.99 (CO2)2 3.159e-16 6.254e-16 -15.500 -15.204 0.297 71.98 -H(0) 2.270e-14 - H2 1.135e-14 2.247e-14 -13.945 -13.648 0.297 28.58 +H(0) 3.720e-35 + H2 1.860e-35 3.682e-35 -34.730 -34.434 0.297 28.58 Na 2.001e+00 Na+ 1.991e+00 1.835e+00 0.299 0.264 -0.036 1.13 NaHCO3 9.136e-03 3.580e-02 -2.039 -1.446 0.593 31.32 - NaOH 1.183e-12 2.341e-12 -11.927 -11.631 0.297 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.280 -55.983 0.297 32.22 +O(0) 3.911e-15 + O2 1.956e-15 3.871e-15 -14.709 -14.412 0.297 32.22 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(329 K, 1 atm) - CH4(g) -25.02 -28.00 -2.98 CH4 + CH4(g) -108.16 -111.14 -2.98 CH4 CO2(g) -5.16 -6.92 -1.76 CO2 - H2(g) -10.51 -13.65 -3.14 H2 + H2(g) -31.30 -34.43 -3.14 H2 H2O(g) -0.81 -0.02 0.78 H2O - O2(g) -52.93 -55.98 -3.05 O2 + O2(g) -11.36 -14.41 -3.05 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4234,11 +4175,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.189 Charge balance - pe = 3.551 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 60°C) = 161016 + pe = 4.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 60°C) = 160668 Density (g/cm³) = 1.08011 Volume (L) = 1.02414 - Viscosity (mPa s) = 0.75574 + Viscosity (mPa s) = 0.75891 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.962e+00 Mass of water (kg) = 9.997e-01 @@ -4260,31 +4201,30 @@ Using temperature 1. H+ 9.182e-12 6.471e-12 -11.037 -11.189 -0.152 0.00 H2O 5.551e+01 9.487e-01 1.744 -0.023 0.000 18.32 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -105.050 -104.754 0.296 38.00 + CH4 0.000e+00 0.000e+00 -110.018 -109.722 0.296 38.00 C(4) 1.000e+00 CO3-2 9.717e-01 1.184e-01 -0.012 -0.927 -0.914 4.40 HCO3- 1.808e-02 1.068e-02 -1.743 -1.971 -0.229 29.61 NaHCO3 1.051e-02 4.110e-02 -1.979 -1.386 0.592 31.26 CO2 9.058e-08 1.421e-07 -7.043 -6.848 0.195 36.18 (CO2)2 4.800e-16 9.494e-16 -15.319 -15.023 0.296 72.35 -H(0) 1.739e-33 - H2 8.694e-34 1.720e-33 -33.061 -32.765 0.296 28.58 +H(0) 9.961e-35 + H2 4.980e-35 9.850e-35 -34.303 -34.007 0.296 28.58 Na 2.001e+00 Na+ 1.990e+00 1.825e+00 0.299 0.261 -0.038 1.17 NaHCO3 1.051e-02 4.110e-02 -1.979 -1.386 0.592 31.26 - NaOH 1.288e-12 2.547e-12 -11.890 -11.594 0.296 (0) -O(0) 1.409e-17 - O2 7.044e-18 1.393e-17 -17.152 -16.856 0.296 32.37 +O(0) 4.293e-15 + O2 2.147e-15 4.246e-15 -14.668 -14.372 0.296 32.37 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(332 K, 1 atm) - CH4(g) -101.76 -104.75 -2.99 CH4 + CH4(g) -106.73 -109.72 -2.99 CH4 CO2(g) -5.07 -6.85 -1.78 CO2 - H2(g) -29.63 -32.76 -3.14 H2 + H2(g) -30.87 -34.01 -3.14 H2 H2O(g) -0.74 -0.02 0.71 H2O - O2(g) -13.79 -16.86 -3.06 O2 + O2(g) -11.31 -14.37 -3.06 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4304,11 +4244,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.148 Charge balance - pe = 4.018 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 63°C) = 169934 + pe = 4.078 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 63°C) = 169529 Density (g/cm³) = 1.07818 Volume (L) = 1.02597 - Viscosity (mPa s) = 0.71134 + Viscosity (mPa s) = 0.71464 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.958e+00 Mass of water (kg) = 9.996e-01 @@ -4330,31 +4270,30 @@ Using temperature 1. H+ 1.011e-11 7.110e-12 -10.995 -11.148 -0.153 0.00 H2O 5.551e+01 9.487e-01 1.744 -0.023 0.000 18.35 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -108.788 -108.492 0.296 38.24 + CH4 0.000e+00 0.000e+00 -109.273 -108.977 0.296 38.24 C(4) 1.000e+00 CO3-2 9.690e-01 1.166e-01 -0.014 -0.933 -0.920 4.26 HCO3- 1.931e-02 1.137e-02 -1.714 -1.944 -0.230 29.63 NaHCO3 1.204e-02 4.702e-02 -1.919 -1.328 0.592 31.20 CO2 1.072e-07 1.680e-07 -6.970 -6.775 0.195 36.37 (CO2)2 7.227e-16 1.428e-15 -15.141 -14.845 0.296 72.74 -H(0) 2.385e-34 - H2 1.192e-34 2.356e-34 -33.924 -33.628 0.296 28.58 +H(0) 1.804e-34 + H2 9.018e-35 1.782e-34 -34.045 -33.749 0.296 28.58 Na 2.001e+00 Na+ 1.989e+00 1.816e+00 0.299 0.259 -0.040 1.22 NaHCO3 1.204e-02 4.702e-02 -1.919 -1.328 0.592 31.20 - NaOH 1.400e-12 2.766e-12 -11.854 -11.558 0.296 (0) -O(0) 5.653e-15 - O2 2.827e-15 5.585e-15 -14.549 -14.253 0.296 32.51 +O(0) 9.885e-15 + O2 4.942e-15 9.766e-15 -14.306 -14.010 0.296 32.51 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(336 K, 1 atm) - CH4(g) -105.49 -108.49 -3.00 CH4 + CH4(g) -105.98 -108.98 -3.00 CH4 CO2(g) -4.97 -6.77 -1.80 CO2 - H2(g) -30.49 -33.63 -3.14 H2 + H2(g) -30.61 -33.75 -3.14 H2 H2O(g) -0.67 -0.02 0.65 H2O - O2(g) -11.18 -14.25 -3.07 O2 + O2(g) -10.94 -14.01 -3.07 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4374,11 +4313,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.109 Charge balance - pe = 4.080 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 67°C) = 179024 + pe = 4.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 67°C) = 178555 Density (g/cm³) = 1.07621 Volume (L) = 1.02785 - Viscosity (mPa s) = 0.67064 + Viscosity (mPa s) = 0.67407 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.953e+00 Mass of water (kg) = 9.996e-01 @@ -4400,31 +4339,30 @@ Using temperature 1. H+ 1.108e-11 7.775e-12 -10.956 -11.109 -0.154 0.00 H2O 5.551e+01 9.486e-01 1.744 -0.023 0.000 18.39 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -109.301 -109.006 0.295 38.48 + CH4 0.000e+00 0.000e+00 -109.366 -109.071 0.295 38.48 C(4) 1.000e+00 CO3-2 9.661e-01 1.148e-01 -0.015 -0.940 -0.925 4.10 HCO3- 2.059e-02 1.209e-02 -1.686 -1.918 -0.231 29.66 NaHCO3 1.376e-02 5.361e-02 -1.861 -1.271 0.591 31.14 CO2 1.264e-07 1.981e-07 -6.898 -6.703 0.195 36.56 (CO2)2 1.078e-15 2.129e-15 -14.967 -14.672 0.295 73.13 -H(0) 2.090e-34 - H2 1.045e-34 2.063e-34 -33.981 -33.686 0.295 28.58 +H(0) 2.013e-34 + H2 1.006e-34 1.987e-34 -33.997 -33.702 0.295 28.58 Na 2.001e+00 Na+ 1.987e+00 1.805e+00 0.298 0.257 -0.042 1.26 NaHCO3 1.376e-02 5.361e-02 -1.861 -1.271 0.591 31.14 - NaOH 1.520e-12 3.001e-12 -11.818 -11.523 0.295 (0) -O(0) 5.336e-14 - O2 2.668e-14 5.266e-14 -13.574 -13.279 0.295 32.66 +O(0) 5.754e-14 + O2 2.877e-14 5.678e-14 -13.541 -13.246 0.295 32.66 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(339 K, 1 atm) - CH4(g) -106.00 -109.01 -3.00 CH4 + CH4(g) -106.07 -109.07 -3.00 CH4 CO2(g) -4.88 -6.70 -1.83 CO2 - H2(g) -30.55 -33.69 -3.14 H2 + H2(g) -30.56 -33.70 -3.14 H2 H2O(g) -0.60 -0.02 0.58 H2O - O2(g) -10.20 -13.28 -3.08 O2 + O2(g) -10.16 -13.25 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4444,11 +4382,11 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 11.073 Charge balance - pe = 4.118 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 188275 + pe = 4.119 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 70°C) = 187732 Density (g/cm³) = 1.07418 Volume (L) = 1.02979 - Viscosity (mPa s) = 0.63326 + Viscosity (mPa s) = 0.63684 Activity of water = 0.949 Ionic strength (mol/kgw) = 2.948e+00 Mass of water (kg) = 9.995e-01 @@ -4470,31 +4408,30 @@ Using temperature 1. H+ 1.208e-11 8.461e-12 -10.918 -11.073 -0.155 0.00 H2O 5.551e+01 9.486e-01 1.744 -0.023 0.000 18.43 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -109.639 -109.344 0.295 38.72 + CH4 0.000e+00 0.000e+00 -109.648 -109.353 0.295 38.72 C(4) 1.000e+00 CO3-2 9.629e-01 1.129e-01 -0.016 -0.947 -0.931 3.92 HCO3- 2.193e-02 1.283e-02 -1.659 -1.892 -0.233 29.69 NaHCO3 1.567e-02 6.092e-02 -1.805 -1.215 0.590 31.07 CO2 1.488e-07 2.329e-07 -6.827 -6.633 0.195 36.77 (CO2)2 1.595e-15 3.146e-15 -14.797 -14.502 0.295 73.54 -H(0) 2.023e-34 - H2 1.012e-34 1.995e-34 -33.995 -33.700 0.295 28.58 +H(0) 2.013e-34 + H2 1.006e-34 1.984e-34 -33.997 -33.702 0.295 28.58 Na 2.001e+00 Na+ 1.985e+00 1.795e+00 0.298 0.254 -0.044 1.30 NaHCO3 1.567e-02 6.092e-02 -1.805 -1.215 0.590 31.07 - NaOH 1.649e-12 3.251e-12 -11.783 -11.488 0.295 (0) -O(0) 3.970e-13 - O2 1.985e-13 3.914e-13 -12.702 -12.407 0.295 32.79 +O(0) 4.012e-13 + O2 2.006e-13 3.955e-13 -12.698 -12.403 0.295 32.79 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(343 K, 1 atm) - CH4(g) -106.34 -109.34 -3.01 CH4 + CH4(g) -106.34 -109.35 -3.01 CH4 CO2(g) -4.79 -6.63 -1.85 CO2 - H2(g) -30.56 -33.70 -3.14 H2 + H2(g) -30.57 -33.70 -3.14 H2 H2O(g) -0.54 -0.02 0.51 H2O - O2(g) -9.32 -12.41 -3.09 O2 + O2(g) -9.31 -12.40 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/Apelbl_Na2CO3_101.sel b/mytest/Apelbl_Na2CO3_101.sel index 54deeb9f7..cb2309601 100644 --- a/mytest/Apelbl_Na2CO3_101.sel +++ b/mytest/Apelbl_Na2CO3_101.sel @@ -1,64 +1,64 @@ Mu SC - 0.296202903823 15627.7802453189 - 1.490991036430 54368.7238168361 - 2.987262649403 82349.8756389797 - 0.297944584261 9192.2056447760 - 0.297710784983 10199.5562081684 - 0.297453389216 11247.5594774039 - 0.297170281937 12334.5674743808 - 0.296859182341 13458.9835695950 - 0.296517635353 14619.2281678452 - 0.296143003795 15813.7108254502 - 0.295732461306 17040.8083300579 - 0.295282986640 18298.8480402314 - 0.294791359135 19586.0951829215 - 0.294254156270 20900.7447666951 - 0.293667753269 22240.9168662461 - 0.293028325421 23604.6556049529 - 0.292331853449 24989.9313690060 - 0.291574132434 26394.6461614979 - 0.290750784806 27816.6421372619 - 0.289857277851 29253.7130065236 - 0.288888946296 30703.6185953790 - 0.287841020412 32164.1024288778 - 0.286708660128 33632.9124771037 - 1.495320755390 32271.8757168678 - 1.494760976783 35679.8914117283 - 1.494136174304 39247.3464284297 - 1.493439330478 42969.2741408738 - 1.492662775093 46841.1563506631 - 1.491798147247 50858.6834867670 - 1.490836359730 55017.5834088770 - 1.489767564851 59313.4951507491 - 1.488581124419 63741.8741560151 - 1.487265581930 68297.9196619616 - 1.485808640573 72976.5196985747 - 1.484197145615 77772.2089693323 - 1.482417073400 82679.1373338116 - 1.480453527266 87691.0465860404 - 1.478290741573 92801.2540960221 - 1.475912094976 98002.6423111429 - 1.473300133012 103287.6530790458 - 1.470436604280 108648.2879481318 - 1.467302506123 114076.1124448936 - 1.463878146318 119562.2673447514 - 2.993339027734 48453.1398835601 - 2.992559886562 53609.2542917096 - 2.991687529024 59035.7984547208 - 2.990711603363 64728.0561789607 - 2.989620779146 70682.0819718210 - 2.988402689135 76894.3007297368 - 2.987043874259 83361.2228418772 - 2.985529729263 90079.2327757674 - 2.983844453863 97043.6424100383 - 2.981971004778 104251.5512979615 - 2.979891055109 111697.4664728247 - 2.977584957445 119375.9473687742 - 2.975031714224 127280.8807421621 - 2.972208955161 135405.4196082466 - 2.969092923149 143741.9290931643 - 2.965658469592 152281.9370640457 - 2.961879060733 161016.0880609813 - 2.957726795738 169934.0996395294 - 2.953172438483 179024.7207651729 - 2.948185464229 188275.6927265270 + 0.296202903823 15625.8797164081 + 1.490991036430 54341.9229894989 + 2.987262649404 82287.4702982138 + 0.297944584262 9191.5241510256 + 0.297710784983 10198.7343632413 + 0.297453389216 11246.5755414113 + 0.297170281937 12333.3952602660 + 0.296859182341 13457.5917053157 + 0.296517635353 14617.5793027692 + 0.296143003795 15811.7607896114 + 0.295732461306 17038.5052554868 + 0.295282986641 18296.1314528039 + 0.294791359136 19582.8950718396 + 0.294254156270 20896.9806350305 + 0.293667753269 22236.4967605795 + 0.293028325421 23599.4751152937 + 0.292331853449 24983.8725780759 + 0.291574132434 26387.5765105573 + 0.290750784806 27808.4131492253 + 0.289857277851 29244.1587930104 + 0.288888946296 30692.5540332913 + 0.287841020413 32151.3208579640 + 0.286708660129 33618.1827216746 + 1.495320755390 32263.1536898603 + 1.494760976783 35669.1867815362 + 1.494136174305 39234.2933872984 + 1.493439330506 42953.4417985544 + 1.492662775093 46822.0394517661 + 1.491798147247 50835.6921748526 + 1.490836359734 54990.0323150850 + 1.489767564851 59280.5917971414 + 1.488581124572 63702.7069682176 + 1.487265581931 68251.4454296620 + 1.485808640573 72921.5516300437 + 1.484197145616 77707.4045262692 + 1.482417073400 82602.9871075005 + 1.480453527266 87601.8643501637 + 1.478290741697 92697.1687073834 + 1.475912094825 97881.5916275479 + 1.473300133013 103147.3819412337 + 1.470436604281 108486.3486898308 + 1.467302506124 113889.8709828388 + 1.463878146319 119348.9142468455 + 2.993339027734 48433.1242052055 + 2.992559886562 53584.7278810626 + 2.991687529024 59005.8641481816 + 2.990711603424 64691.6536232380 + 2.989620779147 70637.9618848200 + 2.988402689136 76840.9962222208 + 2.987043874263 83297.0178668385 + 2.985529729263 90002.1276261975 + 2.983844453815 96952.1013401784 + 2.981971004779 104142.2596856889 + 2.979891055111 111567.3635931518 + 2.977584957446 119221.5282661664 + 2.975031714226 127098.1512693027 + 2.972208955162 135189.8511937786 + 2.969092923334 143488.4143519257 + 2.965658469594 151984.7474777571 + 2.961879060736 160668.8357058545 + 2.957726795741 169529.7044168911 + 2.953172438486 178555.3857746178 + 2.948185464231 187732.8901425218 diff --git a/mytest/Barite_MCl2_101.sel b/mytest/Barite_MCl2_101.sel index 05440ed10..7cbf04aee 100644 --- a/mytest/Barite_MCl2_101.sel +++ b/mytest/Barite_MCl2_101.sel @@ -1,22 +1,22 @@ Mu SC 0.000000100644 0.0547821166 - 0.000049580646 3.5344359570 - 0.300296335038 19360.3558230327 - 0.600411565722 35807.4528906061 - 0.900497383581 50867.2789358071 - 1.200566040587 64859.3407563690 - 1.500623042209 77935.2238144635 - 3.000822492529 131951.9962955854 - 4.500998210000 169789.1297965003 - 6.001251351784 193282.0219205414 - 7.501689340212 204053.7323750280 - 0.000049580646 3.5344359570 - 0.300262771742 18083.6259597999 - 0.600359250254 33104.1756415057 - 0.900426152401 46620.9824277994 - 1.200474675743 58987.9680748708 - 1.500510082289 70382.5776007420 - 3.000578195013 115671.4004034917 - 4.500574721276 144840.0304522846 - 6.000564973483 160084.4051159586 - 7.500573541105 163498.8921788738 + 0.000049580646 3.5344359560 + 0.300296335038 19360.3557030724 + 0.600411565722 35807.4525688874 + 0.900497383581 50867.2783701854 + 1.200566040587 64859.3399220412 + 1.500623042209 77935.2226978788 + 3.000822492529 131951.9937864466 + 4.500998210000 169789.1262100287 + 6.001251351784 193282.0177068382 + 7.501689340212 204053.7279571047 + 0.000049580646 3.5344359560 + 0.300262771742 18083.6259046156 + 0.600359250254 33104.1755168694 + 0.900426152401 46620.9822339632 + 1.200474675743 58987.9678181821 + 1.500510082289 70382.5772906532 + 3.000578195013 115671.3999840467 + 4.500574721276 144840.0301031339 + 6.000564973483 160084.4048862360 + 7.500573541105 163498.8920486274 diff --git a/mytest/Barite_NaCl_101.sel b/mytest/Barite_NaCl_101.sel index d17d90b78..93fdc2422 100644 --- a/mytest/Barite_NaCl_101.sel +++ b/mytest/Barite_NaCl_101.sel @@ -1,17 +1,17 @@ Mu SC 0.000000234097 0.1699348121 - 0.000062944351 7.1177177655 - 0.100193228562 16139.6145118230 - 0.200261896819 30596.1317101432 - 0.300317183870 44217.4794117603 - 0.400364693698 57222.9247020042 - 0.500406770410 69718.0744922145 - 1.000567610166 126136.9690020272 - 1.500679814665 174310.4942820992 - 2.000764692930 215513.6140177896 - 2.500833912608 250554.2603474331 - 3.000895566310 280095.1117759012 - 3.500955892585 304730.5414132080 - 4.001020109971 325007.9380604312 - 4.501092983658 341433.0067603534 - 5.001179297195 354470.5266408467 + 0.000062944351 7.1177177374 + 0.100193228562 16139.6144025558 + 0.200261896819 30596.1314282350 + 0.300317183870 44217.4789273436 + 0.400364693698 57222.9239980130 + 0.500406770410 69718.0735592661 + 1.000567610166 126136.9669271563 + 1.500679814665 174310.4912494821 + 2.000764692930 215513.6102984922 + 2.500833912608 250554.2562100558 + 3.000895566310 280095.1074507715 + 3.500955892585 304730.5370809560 + 4.001020109971 325007.9338526124 + 4.501092983658 341433.0027656124 + 5.001179297195 354470.5229130196 diff --git a/mytest/Barite_tc.out b/mytest/Barite_tc.out index aaf873ea8..e7360051e 100644 --- a/mytest/Barite_tc.out +++ b/mytest/Barite_tc.out @@ -1092,7 +1092,7 @@ Barite 0.00 -9.84 -9.84 1.000e+01 1.000e+01 -1.304e-05 Specific Conductance (µS/cm, 218°C) = 21 Density (g/cm³) = 0.87839 Volume (L) = 1.13844 - Viscosity (mPa s) = 0.13435 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13434 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.432e-05 Mass of water (kg) = 1.000e+00 diff --git a/mytest/Barite_tc_101.sel b/mytest/Barite_tc_101.sel index 47dffc8bf..6fcd35cf3 100644 --- a/mytest/Barite_tc_101.sel +++ b/mytest/Barite_tc_101.sel @@ -1,17 +1,17 @@ Mu SC - 0.000000287482 0.2130047077 - 0.000073470412 5.4670472289 - 0.000086054869 8.6541305049 - 0.000097388386 12.5372405162 - 0.000106379573 16.8278944203 - 0.000112117129 21.1041273475 - 0.000114041571 24.8866846982 - 0.000112043759 27.7415525787 - 0.000106468510 29.3767762674 - 0.000098028546 29.6926701821 - 0.000087657959 28.7823353967 - 0.000076346862 26.8880482880 - 0.000064996458 24.3331456337 - 0.000054320891 21.4517838422 - 0.000044804881 18.5366335077 - 0.000036711336 15.8062880833 + 0.000000287482 0.2130047074 + 0.000073470412 5.4670472185 + 0.000086054869 8.6541304440 + 0.000097388386 12.5372402816 + 0.000106379573 16.8278937319 + 0.000112117129 21.1041256949 + 0.000114041571 24.8866813797 + 0.000112043759 27.7415465244 + 0.000106468510 29.3767662435 + 0.000098028546 29.6926545303 + 0.000087657959 28.7823121235 + 0.000076346862 26.8880127259 + 0.000064996458 24.3330783592 + 0.000054320891 21.4528972344 + 0.000044804881 18.5366754130 + 0.000036711336 15.8063039811 diff --git a/mytest/CH4_conc_PR_IS_101.sel b/mytest/CH4_conc_PR_IS_101.sel index 5a1a8255c..dfca9cc89 100644 --- a/mytest/CH4_conc_PR_IS_101.sel +++ b/mytest/CH4_conc_PR_IS_101.sel @@ -1,127 +1,127 @@ Mu SC 0.000000100661 0.0546997340 - 0.000000100647 0.0547776844 + 0.000000100647 0.0547776845 0.000000101535 0.0552641016 0.000000102428 0.0557672925 0.000000103324 0.0562851272 0.000000104223 0.0568156615 0.000000105125 0.0573570503 - 0.000000106029 0.0579078574 - 0.000000106936 0.0584663458 + 0.000000106029 0.0579078575 + 0.000000106936 0.0584663459 0.000000107844 0.0590313494 - 0.000000108753 0.0596019182 - 0.000000109664 0.0601770999 - 0.000000110577 0.0607562323 + 0.000000108753 0.0596019183 + 0.000000109664 0.0601771000 + 0.000000110577 0.0607562324 0.000000111491 0.0613388605 0.000000112406 0.0619245144 0.000000113322 0.0625127419 - 0.000000114239 0.0631035667 - 0.000000115157 0.0636965399 - 0.000000116076 0.0642913051 - 0.000000116997 0.0648881538 - 0.000000117918 0.0654866267 - 0.000000118840 0.0660864156 - 0.000000119763 0.0666880182 - 0.000000120687 0.0672910901 - 0.000000121613 0.0678951925 - 0.000000122539 0.0685008160 - 0.000000123466 0.0691074576 - 0.000000124394 0.0697152574 - 0.000000125323 0.0703239791 - 0.000000126253 0.0709341573 - 0.000000127183 0.0715446962 - 0.000000128115 0.0721569821 - 0.000000129048 0.0727693751 - 0.000000129982 0.0733833390 - 0.000000130917 0.0739975576 - 0.000000131852 0.0746131047 - 0.000000132789 0.0752290545 - 0.000000133726 0.0758460147 - 0.000000134665 0.0764635197 - 0.000000135605 0.0770822313 - 0.000000136545 0.0777010394 - 0.000000137487 0.0783205983 + 0.000000114239 0.0631035668 + 0.000000115157 0.0636965400 + 0.000000116076 0.0642913052 + 0.000000116997 0.0648881539 + 0.000000117918 0.0654866268 + 0.000000118840 0.0660864157 + 0.000000119763 0.0666880183 + 0.000000120687 0.0672910902 + 0.000000121613 0.0678951926 + 0.000000122539 0.0685008161 + 0.000000123466 0.0691074578 + 0.000000124394 0.0697152575 + 0.000000125323 0.0703239793 + 0.000000126253 0.0709341575 + 0.000000127183 0.0715446964 + 0.000000128115 0.0721569822 + 0.000000129048 0.0727693753 + 0.000000129982 0.0733833392 + 0.000000130917 0.0739975577 + 0.000000131852 0.0746131049 + 0.000000132789 0.0752290547 + 0.000000133726 0.0758460149 + 0.000000134665 0.0764635199 + 0.000000135605 0.0770822315 + 0.000000136545 0.0777010396 + 0.000000137487 0.0783205985 0.000000100661 0.0546997340 - 0.000000234104 0.1697368226 - 0.000000236020 0.1710417855 - 0.000000237958 0.1723892985 - 0.000000239918 0.1737756369 - 0.000000241898 0.1751974731 - 0.000000243899 0.1766516696 - 0.000000245919 0.1781360159 - 0.000000247960 0.1796473968 - 0.000000250020 0.1811839191 - 0.000000252099 0.1827440210 - 0.000000254198 0.1843259166 - 0.000000256316 0.1859283895 - 0.000000258452 0.1875506268 - 0.000000260608 0.1891916820 - 0.000000262783 0.1908505923 - 0.000000264976 0.1925275835 - 0.000000267189 0.1942216341 - 0.000000269420 0.1959319496 - 0.000000271671 0.1976593868 - 0.000000273940 0.1994028711 - 0.000000276229 0.2011617157 - 0.000000278536 0.2029372859 - 0.000000280863 0.2047287965 - 0.000000283210 0.2065352284 - 0.000000285575 0.2083579190 - 0.000000287960 0.2101956880 - 0.000000290365 0.2120489825 - 0.000000292789 0.2139173004 - 0.000000295233 0.2158020808 - 0.000000297696 0.2177006582 - 0.000000300180 0.2196166125 - 0.000000302683 0.2215459153 - 0.000000305207 0.2234923358 - 0.000000307751 0.2254526640 - 0.000000310315 0.2274296864 - 0.000000312899 0.2294211750 - 0.000000315504 0.2314287461 - 0.000000318130 0.2334513272 - 0.000000320776 0.2354906686 - 0.000000323443 0.2375440852 - 0.000000326132 0.2396133089 + 0.000000234104 0.1697368225 + 0.000000236020 0.1710417854 + 0.000000237958 0.1723892984 + 0.000000239918 0.1737756367 + 0.000000241898 0.1751974729 + 0.000000243899 0.1766516695 + 0.000000245919 0.1781360157 + 0.000000247960 0.1796473967 + 0.000000250020 0.1811839189 + 0.000000252099 0.1827440208 + 0.000000254198 0.1843259164 + 0.000000256316 0.1859283893 + 0.000000258452 0.1875506266 + 0.000000260608 0.1891916817 + 0.000000262783 0.1908505921 + 0.000000264976 0.1925275833 + 0.000000267189 0.1942216339 + 0.000000269420 0.1959319493 + 0.000000271671 0.1976593865 + 0.000000273940 0.1994028708 + 0.000000276229 0.2011617154 + 0.000000278536 0.2029372856 + 0.000000280863 0.2047287962 + 0.000000283210 0.2065352282 + 0.000000285575 0.2083579188 + 0.000000287960 0.2101956877 + 0.000000290365 0.2120489823 + 0.000000292789 0.2139173001 + 0.000000295233 0.2158020804 + 0.000000297696 0.2177006579 + 0.000000300180 0.2196166122 + 0.000000302683 0.2215459150 + 0.000000305207 0.2234923355 + 0.000000307751 0.2254526636 + 0.000000310315 0.2274296860 + 0.000000312899 0.2294211747 + 0.000000315504 0.2314287458 + 0.000000318130 0.2334513268 + 0.000000320776 0.2354906682 + 0.000000323443 0.2375440848 + 0.000000326132 0.2396133085 0.000000100661 0.0546997340 - 0.000000760990 0.7555310316 - 0.000000767065 0.7604610347 - 0.000000773235 0.7655643325 - 0.000000779498 0.7708304232 - 0.000000785855 0.7762502199 - 0.000000792304 0.7818150654 - 0.000000798847 0.7875202328 - 0.000000805481 0.7933558891 - 0.000000812207 0.7993173533 - 0.000000819024 0.8054008330 - 0.000000825934 0.8116005789 - 0.000000832935 0.8179130076 - 0.000000840028 0.8243360141 - 0.000000847213 0.8308663063 - 0.000000854490 0.8375001177 - 0.000000861860 0.8442395682 - 0.000000869323 0.8510800769 - 0.000000876879 0.8580180959 - 0.000000884528 0.8650585248 - 0.000000892272 0.8721961704 - 0.000000900109 0.8794278187 - 0.000000908042 0.8867607855 - 0.000000916071 0.8941912692 - 0.000000924195 0.9017142885 - 0.000000932416 0.9093369231 - 0.000000940734 0.9170533656 - 0.000000949150 0.9248661313 - 0.000000957664 0.9327729023 - 0.000000966278 0.9407812151 - 0.000000974990 0.9488778174 - 0.000000983805 0.9570810664 - 0.000000992719 0.9653708906 - 0.000001001736 0.9737665714 - 0.000001010855 0.9822522420 - 0.000001020078 0.9908422115 - 0.000001029405 0.9995256146 - 0.000001038837 1.0083108860 - 0.000001048375 1.0171930032 - 0.000001058020 1.0261810731 - 0.000001067772 1.0352620671 - 0.000001077633 1.0444450302 + 0.000000760990 0.7555310051 + 0.000000767065 0.7604610078 + 0.000000773235 0.7655643051 + 0.000000779498 0.7708303955 + 0.000000785855 0.7762501918 + 0.000000792304 0.7818150369 + 0.000000798847 0.7875202039 + 0.000000805481 0.7933558596 + 0.000000812207 0.7993173234 + 0.000000819024 0.8054008026 + 0.000000825934 0.8116005481 + 0.000000832935 0.8179129763 + 0.000000840028 0.8243359823 + 0.000000847213 0.8308662740 + 0.000000854490 0.8375000849 + 0.000000861860 0.8442395348 + 0.000000869323 0.8510800430 + 0.000000876879 0.8580180614 + 0.000000884528 0.8650584897 + 0.000000892272 0.8721961348 + 0.000000900109 0.8794277824 + 0.000000908042 0.8867607487 + 0.000000916071 0.8941912318 + 0.000000924195 0.9017142504 + 0.000000932416 0.9093368843 + 0.000000940734 0.9170533262 + 0.000000949150 0.9248660913 + 0.000000957664 0.9327728616 + 0.000000966278 0.9407811737 + 0.000000974990 0.9488777752 + 0.000000983805 0.9570810235 + 0.000000992719 0.9653708469 + 0.000001001736 0.9737665270 + 0.000001010855 0.9822521968 + 0.000001020078 0.9908421655 + 0.000001029405 0.9995255678 + 0.000001038837 1.0083108383 + 0.000001048375 1.0171929547 + 0.000001058020 1.0261810238 + 0.000001067772 1.0352620169 + 0.000001077633 1.0444449791 diff --git a/mytest/CMakeLists.txt b/mytest/CMakeLists.txt index 913ab2636..63ec8e053 100644 --- a/mytest/CMakeLists.txt +++ b/mytest/CMakeLists.txt @@ -23,6 +23,7 @@ set(TESTS As as.ex asf + bad_graph ball balonis Barite_MCl2 @@ -189,6 +190,7 @@ set(TESTS hard.tests harm_mean Hebach + Hefter_KClNaOH high_mu HighTPwaterGas hittorf1 diff --git a/mytest/CO2_4M_NaCl.out b/mytest/CO2_4M_NaCl.out index f28627f7b..ca1c3563c 100644 --- a/mytest/CO2_4M_NaCl.out +++ b/mytest/CO2_4M_NaCl.out @@ -160,10 +160,10 @@ H2O(g) -0.39 4.094e-01 0.966 0.000e+00 1.439e-02 1.439e-02 pH = 3.347 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 454091 + Specific Conductance (µS/cm, 80°C) = 453521 Density (g/cm³) = 1.10718 Volume (L) = 1.11535 - Viscosity (mPa s) = 0.56053 + Viscosity (mPa s) = 0.56150 Activity of water = 0.851 Ionic strength (mol/kgw) = 4.001e+00 Mass of water (kg) = 9.997e-01 @@ -258,10 +258,10 @@ H2O(g) -0.37 4.223e-01 0.938 1.439e-02 1.508e-02 6.915e-04 pH = 3.203 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 453126 + Specific Conductance (µS/cm, 80°C) = 452026 Density (g/cm³) = 1.10743 Volume (L) = 1.11627 - Viscosity (mPa s) = 0.56075 + Viscosity (mPa s) = 0.56262 Activity of water = 0.850 Ionic strength (mol/kgw) = 4.001e+00 Mass of water (kg) = 9.997e-01 @@ -356,10 +356,10 @@ H2O(g) -0.36 4.356e-01 0.912 1.508e-02 1.580e-02 7.215e-04 pH = 3.121 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 452216 + Specific Conductance (µS/cm, 80°C) = 450625 Density (g/cm³) = 1.10767 Volume (L) = 1.11713 - Viscosity (mPa s) = 0.56096 + Viscosity (mPa s) = 0.56368 Activity of water = 0.849 Ionic strength (mol/kgw) = 4.001e+00 Mass of water (kg) = 9.997e-01 @@ -454,10 +454,10 @@ H2O(g) -0.35 4.491e-01 0.886 1.580e-02 1.655e-02 7.522e-04 pH = 3.065 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 451358 + Specific Conductance (µS/cm, 80°C) = 449311 Density (g/cm³) = 1.10791 Volume (L) = 1.11792 - Viscosity (mPa s) = 0.56116 + Viscosity (mPa s) = 0.56467 Activity of water = 0.849 Ionic strength (mol/kgw) = 4.002e+00 Mass of water (kg) = 9.997e-01 @@ -552,10 +552,10 @@ H2O(g) -0.33 4.630e-01 0.861 1.655e-02 1.734e-02 7.836e-04 pH = 3.023 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 450550 + Specific Conductance (µS/cm, 80°C) = 448080 Density (g/cm³) = 1.10813 Volume (L) = 1.11867 - Viscosity (mPa s) = 0.56136 + Viscosity (mPa s) = 0.56561 Activity of water = 0.848 Ionic strength (mol/kgw) = 4.002e+00 Mass of water (kg) = 9.997e-01 @@ -650,10 +650,10 @@ H2O(g) -0.27 5.368e-01 0.750 1.734e-02 2.175e-02 4.410e-03 pH = 2.902 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 447168 + Specific Conductance (µS/cm, 80°C) = 442992 Density (g/cm³) = 1.10915 Volume (L) = 1.12167 - Viscosity (mPa s) = 0.56228 + Viscosity (mPa s) = 0.56956 Activity of water = 0.845 Ionic strength (mol/kgw) = 4.002e+00 Mass of water (kg) = 9.996e-01 @@ -748,10 +748,10 @@ H2O(g) -0.21 6.181e-01 0.658 2.175e-02 2.703e-02 5.283e-03 pH = 2.843 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 444669 + Specific Conductance (µS/cm, 80°C) = 439301 Density (g/cm³) = 1.11002 Volume (L) = 1.12373 - Viscosity (mPa s) = 0.56309 + Viscosity (mPa s) = 0.57255 Activity of water = 0.843 Ionic strength (mol/kgw) = 4.003e+00 Mass of water (kg) = 9.995e-01 @@ -846,10 +846,10 @@ H2O(g) -0.15 7.067e-01 0.580 2.703e-02 3.325e-02 6.217e-03 pH = 2.807 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 442811 + Specific Conductance (µS/cm, 80°C) = 436596 Density (g/cm³) = 1.11075 Volume (L) = 1.12510 - Viscosity (mPa s) = 0.56381 + Viscosity (mPa s) = 0.57484 Activity of water = 0.842 Ionic strength (mol/kgw) = 4.003e+00 Mass of water (kg) = 9.994e-01 @@ -944,10 +944,10 @@ H2O(g) -0.10 8.026e-01 0.515 3.325e-02 4.045e-02 7.199e-03 pH = 2.783 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 441409 + Specific Conductance (µS/cm, 80°C) = 434578 Density (g/cm³) = 1.11139 Volume (L) = 1.12599 - Viscosity (mPa s) = 0.56444 + Viscosity (mPa s) = 0.57665 Activity of water = 0.841 Ionic strength (mol/kgw) = 4.004e+00 Mass of water (kg) = 9.993e-01 @@ -1042,10 +1042,10 @@ H2O(g) -0.04 9.065e-01 0.459 4.045e-02 4.866e-02 8.218e-03 pH = 2.766 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 440325 + Specific Conductance (µS/cm, 80°C) = 433033 Density (g/cm³) = 1.11195 Volume (L) = 1.12655 - Viscosity (mPa s) = 0.56502 + Viscosity (mPa s) = 0.57812 Activity of water = 0.840 Ionic strength (mol/kgw) = 4.004e+00 Mass of water (kg) = 9.991e-01 @@ -1219,10 +1219,10 @@ H2O(g) 0.24 1.724e+00 0.959 0.000e+00 5.459e-02 5.459e-02 pH = 3.501 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 619651 + Specific Conductance (µS/cm, 120°C) = 619110 Density (g/cm³) = 1.08022 Volume (L) = 1.14231 - Viscosity (mPa s) = 0.37143 + Viscosity (mPa s) = 0.37187 Activity of water = 0.855 Ionic strength (mol/kgw) = 4.004e+00 Mass of water (kg) = 9.990e-01 @@ -1317,10 +1317,10 @@ H2O(g) 0.25 1.772e+00 0.935 5.459e-02 5.682e-02 2.228e-03 pH = 3.356 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 618281 + Specific Conductance (µS/cm, 120°C) = 617231 Density (g/cm³) = 1.08074 Volume (L) = 1.14275 - Viscosity (mPa s) = 0.37192 + Viscosity (mPa s) = 0.37279 Activity of water = 0.854 Ionic strength (mol/kgw) = 4.004e+00 Mass of water (kg) = 9.990e-01 @@ -1415,10 +1415,10 @@ H2O(g) 0.26 1.822e+00 0.912 5.682e-02 5.912e-02 2.300e-03 pH = 3.273 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 617041 + Specific Conductance (µS/cm, 120°C) = 615513 Density (g/cm³) = 1.08097 Volume (L) = 1.14344 - Viscosity (mPa s) = 0.37216 + Viscosity (mPa s) = 0.37343 Activity of water = 0.854 Ionic strength (mol/kgw) = 4.005e+00 Mass of water (kg) = 9.989e-01 @@ -1513,10 +1513,10 @@ H2O(g) 0.27 1.872e+00 0.890 5.912e-02 6.149e-02 2.373e-03 pH = 3.216 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 615859 + Specific Conductance (µS/cm, 120°C) = 613882 Density (g/cm³) = 1.08120 Volume (L) = 1.14408 - Viscosity (mPa s) = 0.37240 + Viscosity (mPa s) = 0.37404 Activity of water = 0.853 Ionic strength (mol/kgw) = 4.005e+00 Mass of water (kg) = 9.989e-01 @@ -1611,10 +1611,10 @@ H2O(g) 0.28 1.922e+00 0.868 6.149e-02 6.394e-02 2.446e-03 pH = 3.172 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 614732 + Specific Conductance (µS/cm, 120°C) = 612332 Density (g/cm³) = 1.08143 Volume (L) = 1.14468 - Viscosity (mPa s) = 0.37263 + Viscosity (mPa s) = 0.37464 Activity of water = 0.852 Ionic strength (mol/kgw) = 4.005e+00 Mass of water (kg) = 9.988e-01 @@ -1709,10 +1709,10 @@ H2O(g) 0.34 2.191e+00 0.771 6.394e-02 7.729e-02 1.335e-02 pH = 3.046 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 609825 + Specific Conductance (µS/cm, 120°C) = 605652 Density (g/cm³) = 1.08251 Volume (L) = 1.14711 - Viscosity (mPa s) = 0.37374 + Viscosity (mPa s) = 0.37727 Activity of water = 0.850 Ionic strength (mol/kgw) = 4.006e+00 Mass of water (kg) = 9.986e-01 @@ -1807,10 +1807,10 @@ H2O(g) 0.40 2.484e+00 0.688 7.729e-02 9.255e-02 1.526e-02 pH = 2.980 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 605911 + Specific Conductance (µS/cm, 120°C) = 600399 Density (g/cm³) = 1.08351 Volume (L) = 1.14879 - Viscosity (mPa s) = 0.37475 + Viscosity (mPa s) = 0.37948 Activity of water = 0.848 Ionic strength (mol/kgw) = 4.007e+00 Mass of water (kg) = 9.983e-01 @@ -1905,10 +1905,10 @@ H2O(g) 0.45 2.802e+00 0.616 9.255e-02 1.097e-01 1.720e-02 pH = 2.938 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 602734 + Specific Conductance (µS/cm, 120°C) = 596187 Density (g/cm³) = 1.08444 Volume (L) = 1.14990 - Viscosity (mPa s) = 0.37570 + Viscosity (mPa s) = 0.38137 Activity of water = 0.847 Ionic strength (mol/kgw) = 4.009e+00 Mass of water (kg) = 9.980e-01 @@ -2003,10 +2003,10 @@ H2O(g) 0.50 3.148e+00 0.554 1.097e-01 1.289e-01 1.913e-02 pH = 2.908 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 600098 + Specific Conductance (µS/cm, 120°C) = 592729 Density (g/cm³) = 1.08532 Volume (L) = 1.15058 - Viscosity (mPa s) = 0.37659 + Viscosity (mPa s) = 0.38303 Activity of water = 0.845 Ionic strength (mol/kgw) = 4.010e+00 Mass of water (kg) = 9.977e-01 @@ -2101,10 +2101,10 @@ H2O(g) 0.55 3.525e+00 0.499 1.289e-01 1.499e-01 2.105e-02 pH = 2.885 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 597852 + Specific Conductance (µS/cm, 120°C) = 589810 Density (g/cm³) = 1.08616 Volume (L) = 1.15095 - Viscosity (mPa s) = 0.37745 + Viscosity (mPa s) = 0.38453 Activity of water = 0.844 Ionic strength (mol/kgw) = 4.012e+00 Mass of water (kg) = 9.973e-01 @@ -2278,10 +2278,10 @@ H2O(g) 0.73 5.399e+00 0.943 0.000e+00 1.572e-01 1.572e-01 pH = 3.672 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 762793 + Specific Conductance (µS/cm, 160°C) = 762381 Density (g/cm³) = 1.04937 Volume (L) = 1.17411 - Viscosity (mPa s) = 0.27432 + Viscosity (mPa s) = 0.27452 Activity of water = 0.861 Ionic strength (mol/kgw) = 4.012e+00 Mass of water (kg) = 9.972e-01 @@ -2376,10 +2376,10 @@ H2O(g) 0.74 5.541e+00 0.921 1.572e-01 1.627e-01 5.427e-03 pH = 3.526 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 760806 + Specific Conductance (µS/cm, 160°C) = 759999 Density (g/cm³) = 1.04995 Volume (L) = 1.17441 - Viscosity (mPa s) = 0.27483 + Viscosity (mPa s) = 0.27523 Activity of water = 0.860 Ionic strength (mol/kgw) = 4.012e+00 Mass of water (kg) = 9.971e-01 @@ -2474,10 +2474,10 @@ H2O(g) 0.75 5.681e+00 0.901 1.627e-01 1.682e-01 5.561e-03 pH = 3.442 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 759054 + Specific Conductance (µS/cm, 160°C) = 757871 Density (g/cm³) = 1.05016 Volume (L) = 1.17507 - Viscosity (mPa s) = 0.27509 + Viscosity (mPa s) = 0.27568 Activity of water = 0.860 Ionic strength (mol/kgw) = 4.012e+00 Mass of water (kg) = 9.970e-01 @@ -2572,10 +2572,10 @@ H2O(g) 0.76 5.821e+00 0.881 1.682e-01 1.739e-01 5.696e-03 pH = 3.383 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 757372 + Specific Conductance (µS/cm, 160°C) = 755828 Density (g/cm³) = 1.05038 Volume (L) = 1.17569 - Viscosity (mPa s) = 0.27534 + Viscosity (mPa s) = 0.27612 Activity of water = 0.859 Ionic strength (mol/kgw) = 4.013e+00 Mass of water (kg) = 9.969e-01 @@ -2670,10 +2670,10 @@ H2O(g) 0.78 5.962e+00 0.863 1.739e-01 1.798e-01 5.830e-03 pH = 3.338 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 755755 + Specific Conductance (µS/cm, 160°C) = 753867 Density (g/cm³) = 1.05060 Volume (L) = 1.17627 - Viscosity (mPa s) = 0.27560 + Viscosity (mPa s) = 0.27654 Activity of water = 0.858 Ionic strength (mol/kgw) = 4.013e+00 Mass of water (kg) = 9.968e-01 @@ -2768,10 +2768,10 @@ H2O(g) 0.83 6.697e+00 0.778 1.798e-01 2.109e-01 3.117e-02 pH = 3.206 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 748553 + Specific Conductance (µS/cm, 160°C) = 745142 Density (g/cm³) = 1.05169 Volume (L) = 1.17858 - Viscosity (mPa s) = 0.27681 + Viscosity (mPa s) = 0.27855 Activity of water = 0.856 Ionic strength (mol/kgw) = 4.016e+00 Mass of water (kg) = 9.962e-01 @@ -2866,10 +2866,10 @@ H2O(g) 0.87 7.493e+00 0.703 2.109e-01 2.454e-01 3.449e-02 pH = 3.135 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 742555 + Specific Conductance (µS/cm, 160°C) = 737891 Density (g/cm³) = 1.05280 Volume (L) = 1.18012 - Viscosity (mPa s) = 0.27797 + Viscosity (mPa s) = 0.28038 Activity of water = 0.854 Ionic strength (mol/kgw) = 4.018e+00 Mass of water (kg) = 9.956e-01 @@ -2964,10 +2964,10 @@ H2O(g) 0.92 8.355e+00 0.638 2.454e-01 2.831e-01 3.772e-02 pH = 3.087 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 737464 + Specific Conductance (µS/cm, 160°C) = 731748 Density (g/cm³) = 1.05392 Volume (L) = 1.18105 - Viscosity (mPa s) = 0.27908 + Viscosity (mPa s) = 0.28208 Activity of water = 0.852 Ionic strength (mol/kgw) = 4.021e+00 Mass of water (kg) = 9.949e-01 @@ -3062,10 +3062,10 @@ H2O(g) 0.97 9.291e+00 0.581 2.831e-01 3.239e-01 4.081e-02 pH = 3.052 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 733048 + Specific Conductance (µS/cm, 160°C) = 726425 Density (g/cm³) = 1.05505 Volume (L) = 1.18151 - Viscosity (mPa s) = 0.28017 + Viscosity (mPa s) = 0.28368 Activity of water = 0.850 Ionic strength (mol/kgw) = 4.024e+00 Mass of water (kg) = 9.942e-01 @@ -3160,10 +3160,10 @@ H2O(g) 1.01 1.031e+01 0.530 3.239e-01 3.676e-01 4.370e-02 pH = 3.024 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 729123 + Specific Conductance (µS/cm, 160°C) = 721701 Density (g/cm³) = 1.05620 Volume (L) = 1.18158 - Viscosity (mPa s) = 0.28125 + Viscosity (mPa s) = 0.28523 Activity of water = 0.849 Ionic strength (mol/kgw) = 4.027e+00 Mass of water (kg) = 9.934e-01 diff --git a/mytest/CO2_4M_NaCl_101.sel b/mytest/CO2_4M_NaCl_101.sel index 493652ebc..e53ad2e94 100644 --- a/mytest/CO2_4M_NaCl_101.sel +++ b/mytest/CO2_4M_NaCl_101.sel @@ -1,34 +1,34 @@ Mu SC - 4.000000490916 455048.6811912977 - 4.001247967857 454091.5111450845 - 4.001380871828 453126.3792826435 - 4.001493781374 452216.1002093055 - 4.001597060715 451358.2598224802 - 4.001694833813 450550.2486033604 - 4.002155067251 447168.0658117427 - 4.002622495009 444669.5763037737 - 4.003129034124 442811.9338611135 - 4.003689861839 441409.6510883099 - 4.004313948705 440325.4220754548 - 4.000001153692 620672.6363144728 - 4.004124259802 619651.7691235436 - 4.004359238051 618281.7646936890 - 4.004580074473 617041.6602998623 - 4.004795921470 615859.4137944980 - 4.005010390874 614732.1950253389 - 4.006109085946 609825.6829100746 - 4.007298685566 605911.1560109346 - 4.008604911334 602734.5343740259 - 4.010037914393 600098.8825336953 - 4.011601443280 597852.9879026789 - 4.000002154766 763602.8558908134 - 4.011528138170 762793.6533172551 - 4.011987389126 760806.0927390939 - 4.012439588203 759054.4521587262 - 4.012892778293 757372.1785013902 - 4.013350067035 755755.9559731662 - 4.015737235890 748553.6984522080 - 4.018327982771 742555.5212173091 - 4.021136324470 737464.9048891115 - 4.024161061446 733048.6952923383 - 4.027393640053 729123.4766801823 + 4.000000490916 455048.6669355546 + 4.001247967857 453521.0957477367 + 4.001380871828 452026.6618467998 + 4.001493781374 450625.3468013672 + 4.001597060715 449311.8369205255 + 4.001694833813 448080.8268759327 + 4.002155067251 442992.7624485639 + 4.002622495009 439301.8616040722 + 4.003129034124 436596.7850759490 + 4.003689861839 434578.6476448291 + 4.004313948705 433033.6533405338 + 4.000001153692 620672.5878890076 + 4.004124259802 619110.3534677526 + 4.004359238051 617231.6510951135 + 4.004580074473 615513.8352177634 + 4.004795921470 613882.5589467578 + 4.005010390874 612332.9593645540 + 4.006109085946 605652.8601595219 + 4.007298685566 600399.5827820123 + 4.008604911334 596187.8035475233 + 4.010037914393 592729.7729441243 + 4.011601443280 589810.8369023221 + 4.000002154766 763602.7376805907 + 4.011528138170 762381.8035490832 + 4.011987389126 759999.6518838054 + 4.012439588203 757871.2737534839 + 4.012892778293 755828.6327520210 + 4.013350067035 753867.4672329162 + 4.015737235890 745142.1946670664 + 4.018327982771 737891.6490207831 + 4.021136324470 731748.3152378211 + 4.024161061446 726425.9149094886 + 4.027393640053 721701.0136253036 diff --git a/mytest/CO2_K_H.out b/mytest/CO2_K_H.out index ab0fe048a..1dd11b68c 100644 --- a/mytest/CO2_K_H.out +++ b/mytest/CO2_K_H.out @@ -78,7 +78,7 @@ Initial solution 1. Specific Conductance (µS/cm, 0°C) = 3 Density (g/cm³) = 0.99985 Volume (L) = 1.00019 - Viscosity (mPa s) = 1.79179 + Viscosity (mPa s) = 1.79203 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.429e-05 Mass of water (kg) = 1.000e+00 @@ -161,7 +161,7 @@ H2O(g) -2.21 6.170e-03 1.000 0.000e+00 2.753e-05 2.753e-05 Specific Conductance (µS/cm, 0°C) = 3 Density (g/cm³) = 0.99980 Volume (L) = 1.00024 - Viscosity (mPa s) = 1.79202 + Viscosity (mPa s) = 1.79226 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.426e-05 Mass of water (kg) = 1.000e+00 @@ -241,7 +241,7 @@ H2O(g) -2.21 6.170e-03 1.000 0.000e+00 2.753e-05 2.753e-05 Specific Conductance (µS/cm, 0°C) = 3 Density (g/cm³) = 0.99980 Volume (L) = 1.00024 - Viscosity (mPa s) = 1.79202 + Viscosity (mPa s) = 1.79226 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.426e-05 Mass of water (kg) = 1.000e+00 @@ -321,7 +321,7 @@ H2O(g) -2.18 6.627e-03 1.000 0.000e+00 2.946e-05 2.946e-05 Specific Conductance (µS/cm, 1°C) = 3 Density (g/cm³) = 0.99986 Volume (L) = 1.00018 - Viscosity (mPa s) = 1.73126 + Viscosity (mPa s) = 1.73149 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.446e-05 Mass of water (kg) = 1.000e+00 @@ -401,7 +401,7 @@ H2O(g) -2.15 7.113e-03 1.000 0.000e+00 3.151e-05 3.151e-05 Specific Conductance (µS/cm, 2°C) = 3 Density (g/cm³) = 0.99990 Volume (L) = 1.00013 - Viscosity (mPa s) = 1.67374 + Viscosity (mPa s) = 1.67395 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.466e-05 Mass of water (kg) = 1.000e+00 @@ -481,7 +481,7 @@ H2O(g) -2.09 8.182e-03 1.000 0.000e+00 3.598e-05 3.598e-05 Specific Conductance (µS/cm, 4°C) = 4 Density (g/cm³) = 0.99993 Volume (L) = 1.00010 - Viscosity (mPa s) = 1.56748 + Viscosity (mPa s) = 1.56767 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.505e-05 Mass of water (kg) = 1.000e+00 @@ -561,7 +561,7 @@ H2O(g) -2.06 8.768e-03 1.000 0.000e+00 3.842e-05 3.842e-05 Specific Conductance (µS/cm, 5°C) = 4 Density (g/cm³) = 0.99992 Volume (L) = 1.00011 - Viscosity (mPa s) = 1.51835 + Viscosity (mPa s) = 1.51853 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.523e-05 Mass of water (kg) = 1.000e+00 @@ -641,7 +641,7 @@ H2O(g) -2.03 9.391e-03 1.000 0.000e+00 4.100e-05 4.100e-05 Specific Conductance (µS/cm, 6°C) = 4 Density (g/cm³) = 0.99990 Volume (L) = 1.00013 - Viscosity (mPa s) = 1.47164 + Viscosity (mPa s) = 1.47181 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.542e-05 Mass of water (kg) = 1.000e+00 @@ -721,7 +721,7 @@ H2O(g) -1.97 1.076e-02 1.000 0.000e+00 4.663e-05 4.663e-05 Specific Conductance (µS/cm, 8°C) = 4 Density (g/cm³) = 0.99981 Volume (L) = 1.00022 - Viscosity (mPa s) = 1.38486 + Viscosity (mPa s) = 1.38501 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.577e-05 Mass of water (kg) = 1.000e+00 @@ -801,7 +801,7 @@ H2O(g) -1.91 1.229e-02 1.000 0.000e+00 5.292e-05 5.292e-05 Specific Conductance (µS/cm, 10°C) = 4 Density (g/cm³) = 0.99966 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.30602 + Viscosity (mPa s) = 1.30616 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.610e-05 Mass of water (kg) = 1.000e+00 @@ -881,7 +881,7 @@ H2O(g) -1.91 1.229e-02 1.000 0.000e+00 5.292e-05 5.292e-05 Specific Conductance (µS/cm, 10°C) = 4 Density (g/cm³) = 0.99966 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.30602 + Viscosity (mPa s) = 1.30616 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.610e-05 Mass of water (kg) = 1.000e+00 @@ -961,7 +961,7 @@ H2O(g) -1.91 1.229e-02 1.000 0.000e+00 5.292e-05 5.292e-05 Specific Conductance (µS/cm, 10°C) = 4 Density (g/cm³) = 0.99966 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.30602 + Viscosity (mPa s) = 1.30616 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.610e-05 Mass of water (kg) = 1.000e+00 @@ -1041,7 +1041,7 @@ H2O(g) -1.85 1.402e-02 1.000 0.000e+00 5.993e-05 5.993e-05 Specific Conductance (µS/cm, 12°C) = 5 Density (g/cm³) = 0.99946 Volume (L) = 1.00057 - Viscosity (mPa s) = 1.23414 + Viscosity (mPa s) = 1.23427 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.641e-05 Mass of water (kg) = 1.000e+00 @@ -1121,7 +1121,7 @@ H2O(g) -1.82 1.525e-02 1.000 0.000e+00 6.491e-05 6.491e-05 Specific Conductance (µS/cm, 13°C) = 5 Density (g/cm³) = 0.99930 Volume (L) = 1.00073 - Viscosity (mPa s) = 1.19077 + Viscosity (mPa s) = 1.19089 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.661e-05 Mass of water (kg) = 1.000e+00 @@ -1201,7 +1201,7 @@ H2O(g) -1.80 1.596e-02 1.000 0.000e+00 6.774e-05 6.774e-05 Specific Conductance (µS/cm, 14°C) = 5 Density (g/cm³) = 0.99921 Volume (L) = 1.00083 - Viscosity (mPa s) = 1.16842 + Viscosity (mPa s) = 1.16854 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.671e-05 Mass of water (kg) = 1.000e+00 @@ -1281,7 +1281,7 @@ H2O(g) -1.77 1.690e-02 0.999 0.000e+00 7.154e-05 7.154e-05 Specific Conductance (µS/cm, 15°C) = 5 Density (g/cm³) = 0.99908 Volume (L) = 1.00096 - Viscosity (mPa s) = 1.14066 + Viscosity (mPa s) = 1.14078 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.683e-05 Mass of water (kg) = 1.000e+00 @@ -1361,7 +1361,7 @@ H2O(g) -1.77 1.701e-02 0.999 0.000e+00 7.197e-05 7.197e-05 Specific Conductance (µS/cm, 15°C) = 5 Density (g/cm³) = 0.99906 Volume (L) = 1.00097 - Viscosity (mPa s) = 1.13764 + Viscosity (mPa s) = 1.13776 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.685e-05 Mass of water (kg) = 1.000e+00 @@ -1441,7 +1441,7 @@ H2O(g) -1.77 1.701e-02 0.999 0.000e+00 7.197e-05 7.197e-05 Specific Conductance (µS/cm, 15°C) = 5 Density (g/cm³) = 0.99906 Volume (L) = 1.00097 - Viscosity (mPa s) = 1.13764 + Viscosity (mPa s) = 1.13776 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.685e-05 Mass of water (kg) = 1.000e+00 @@ -1521,7 +1521,7 @@ H2O(g) -1.74 1.813e-02 0.999 0.000e+00 7.643e-05 7.643e-05 Specific Conductance (µS/cm, 16°C) = 5 Density (g/cm³) = 0.99891 Volume (L) = 1.00113 - Viscosity (mPa s) = 1.10815 + Viscosity (mPa s) = 1.10826 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.698e-05 Mass of water (kg) = 1.000e+00 @@ -1601,7 +1601,7 @@ H2O(g) -1.70 2.005e-02 0.999 0.000e+00 8.406e-05 8.406e-05 Specific Conductance (µS/cm, 18°C) = 6 Density (g/cm³) = 0.99863 Volume (L) = 1.00140 - Viscosity (mPa s) = 1.06346 + Viscosity (mPa s) = 1.06356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.719e-05 Mass of water (kg) = 1.000e+00 @@ -1681,7 +1681,7 @@ H2O(g) -1.69 2.055e-02 0.999 0.000e+00 8.606e-05 8.606e-05 Specific Conductance (µS/cm, 18°C) = 6 Density (g/cm³) = 0.99856 Volume (L) = 1.00148 - Viscosity (mPa s) = 1.05273 + Viscosity (mPa s) = 1.05283 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.724e-05 Mass of water (kg) = 1.000e+00 @@ -1761,7 +1761,7 @@ H2O(g) -1.64 2.298e-02 0.999 0.000e+00 9.562e-05 9.562e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99821 Volume (L) = 1.00183 - Viscosity (mPa s) = 1.00657 + Viscosity (mPa s) = 1.00667 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.745e-05 Mass of water (kg) = 1.000e+00 @@ -1841,7 +1841,7 @@ H2O(g) -1.63 2.326e-02 0.999 0.000e+00 9.674e-05 9.674e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99817 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00165 + Viscosity (mPa s) = 1.00174 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.747e-05 Mass of water (kg) = 1.000e+00 @@ -1921,7 +1921,7 @@ H2O(g) -1.63 2.326e-02 0.999 0.000e+00 9.674e-05 9.674e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99817 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00165 + Viscosity (mPa s) = 1.00174 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.747e-05 Mass of water (kg) = 1.000e+00 @@ -2001,7 +2001,7 @@ H2O(g) -1.63 2.326e-02 0.999 0.000e+00 9.674e-05 9.674e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99817 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00165 + Viscosity (mPa s) = 1.00174 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.747e-05 Mass of water (kg) = 1.000e+00 @@ -2081,7 +2081,7 @@ H2O(g) -1.58 2.628e-02 0.999 0.000e+00 1.085e-04 1.085e-04 Specific Conductance (µS/cm, 22°C) = 6 Density (g/cm³) = 0.99773 Volume (L) = 1.00230 - Viscosity (mPa s) = 0.95444 + Viscosity (mPa s) = 0.95452 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.769e-05 Mass of water (kg) = 1.000e+00 @@ -2161,7 +2161,7 @@ H2O(g) -1.53 2.963e-02 0.999 0.000e+00 1.216e-04 1.216e-04 Specific Conductance (µS/cm, 24°C) = 6 Density (g/cm³) = 0.99726 Volume (L) = 1.00278 - Viscosity (mPa s) = 0.91072 + Viscosity (mPa s) = 0.91080 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-05 Mass of water (kg) = 1.000e+00 @@ -2241,7 +2241,7 @@ H2O(g) -1.50 3.144e-02 0.999 0.000e+00 1.286e-04 1.286e-04 Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99701 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89005 + Viscosity (mPa s) = 0.89013 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-05 Mass of water (kg) = 1.000e+00 @@ -2321,7 +2321,7 @@ H2O(g) -1.50 3.144e-02 0.999 0.000e+00 1.286e-04 1.286e-04 Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99701 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89005 + Viscosity (mPa s) = 0.89013 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-05 Mass of water (kg) = 1.000e+00 @@ -2401,7 +2401,7 @@ H2O(g) -1.48 3.296e-02 0.999 0.000e+00 1.344e-04 1.344e-04 Specific Conductance (µS/cm, 26°C) = 7 Density (g/cm³) = 0.99680 Volume (L) = 1.00324 - Viscosity (mPa s) = 0.87406 + Viscosity (mPa s) = 0.87414 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.805e-05 Mass of water (kg) = 1.000e+00 @@ -2481,7 +2481,7 @@ H2O(g) -1.48 3.335e-02 0.999 0.000e+00 1.359e-04 1.359e-04 Specific Conductance (µS/cm, 26°C) = 7 Density (g/cm³) = 0.99675 Volume (L) = 1.00329 - Viscosity (mPa s) = 0.87014 + Viscosity (mPa s) = 0.87021 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.806e-05 Mass of water (kg) = 1.000e+00 @@ -2561,7 +2561,7 @@ H2O(g) -1.43 3.747e-02 0.999 0.000e+00 1.517e-04 1.517e-04 Specific Conductance (µS/cm, 28°C) = 7 Density (g/cm³) = 0.99620 Volume (L) = 1.00385 - Viscosity (mPa s) = 0.83240 + Viscosity (mPa s) = 0.83247 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.822e-05 Mass of water (kg) = 1.000e+00 @@ -2641,7 +2641,7 @@ H2O(g) -1.38 4.156e-02 0.999 0.000e+00 1.673e-04 1.673e-04 Specific Conductance (µS/cm, 30°C) = 7 Density (g/cm³) = 0.99567 Volume (L) = 1.00438 - Viscosity (mPa s) = 0.80065 + Viscosity (mPa s) = 0.80071 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.835e-05 Mass of water (kg) = 1.000e+00 @@ -2721,7 +2721,7 @@ H2O(g) -1.38 4.203e-02 0.999 0.000e+00 1.691e-04 1.691e-04 Specific Conductance (µS/cm, 30°C) = 7 Density (g/cm³) = 0.99561 Volume (L) = 1.00444 - Viscosity (mPa s) = 0.79724 + Viscosity (mPa s) = 0.79731 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.836e-05 Mass of water (kg) = 1.000e+00 @@ -2801,7 +2801,7 @@ H2O(g) -1.37 4.276e-02 0.999 0.000e+00 1.718e-04 1.718e-04 Specific Conductance (µS/cm, 30°C) = 7 Density (g/cm³) = 0.99552 Volume (L) = 1.00453 - Viscosity (mPa s) = 0.79217 + Viscosity (mPa s) = 0.79224 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.838e-05 Mass of water (kg) = 1.000e+00 @@ -2881,7 +2881,7 @@ H2O(g) -1.33 4.707e-02 0.999 0.000e+00 1.881e-04 1.881e-04 Specific Conductance (µS/cm, 32°C) = 7 Density (g/cm³) = 0.99499 Volume (L) = 1.00506 - Viscosity (mPa s) = 0.76442 + Viscosity (mPa s) = 0.76448 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.848e-05 Mass of water (kg) = 1.000e+00 @@ -2961,7 +2961,7 @@ H2O(g) -1.33 4.707e-02 0.999 0.000e+00 1.881e-04 1.881e-04 Specific Conductance (µS/cm, 32°C) = 7 Density (g/cm³) = 0.99499 Volume (L) = 1.00506 - Viscosity (mPa s) = 0.76442 + Viscosity (mPa s) = 0.76448 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.848e-05 Mass of water (kg) = 1.000e+00 @@ -3041,7 +3041,7 @@ H2O(g) -1.30 5.034e-02 0.999 0.000e+00 2.004e-04 2.004e-04 Specific Conductance (µS/cm, 33°C) = 8 Density (g/cm³) = 0.99460 Volume (L) = 1.00546 - Viscosity (mPa s) = 0.74577 + Viscosity (mPa s) = 0.74583 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.855e-05 Mass of water (kg) = 1.000e+00 @@ -3121,7 +3121,7 @@ H2O(g) -1.28 5.263e-02 0.999 0.000e+00 2.090e-04 2.090e-04 Specific Conductance (µS/cm, 34°C) = 8 Density (g/cm³) = 0.99433 Volume (L) = 1.00573 - Viscosity (mPa s) = 0.73374 + Viscosity (mPa s) = 0.73379 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.859e-05 Mass of water (kg) = 1.000e+00 @@ -3201,7 +3201,7 @@ H2O(g) -1.27 5.351e-02 0.999 0.000e+00 2.123e-04 2.123e-04 Specific Conductance (µS/cm, 34°C) = 8 Density (g/cm³) = 0.99423 Volume (L) = 1.00583 - Viscosity (mPa s) = 0.72930 + Viscosity (mPa s) = 0.72936 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.860e-05 Mass of water (kg) = 1.000e+00 @@ -3281,7 +3281,7 @@ H2O(g) -1.26 5.440e-02 0.999 0.000e+00 2.156e-04 2.156e-04 Specific Conductance (µS/cm, 35°C) = 8 Density (g/cm³) = 0.99413 Volume (L) = 1.00593 - Viscosity (mPa s) = 0.72492 + Viscosity (mPa s) = 0.72498 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.861e-05 Mass of water (kg) = 1.000e+00 @@ -3361,7 +3361,7 @@ H2O(g) -1.25 5.561e-02 0.999 0.000e+00 2.201e-04 2.201e-04 Specific Conductance (µS/cm, 35°C) = 8 Density (g/cm³) = 0.99399 Volume (L) = 1.00607 - Viscosity (mPa s) = 0.71913 + Viscosity (mPa s) = 0.71919 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.863e-05 Mass of water (kg) = 1.000e+00 @@ -3441,7 +3441,7 @@ H2O(g) -1.25 5.561e-02 0.999 0.000e+00 2.201e-04 2.201e-04 Specific Conductance (µS/cm, 35°C) = 8 Density (g/cm³) = 0.99399 Volume (L) = 1.00607 - Viscosity (mPa s) = 0.71913 + Viscosity (mPa s) = 0.71919 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.863e-05 Mass of water (kg) = 1.000e+00 @@ -3521,7 +3521,7 @@ H2O(g) -1.23 5.875e-02 0.999 0.000e+00 2.318e-04 2.318e-04 Specific Conductance (µS/cm, 36°C) = 8 Density (g/cm³) = 0.99365 Volume (L) = 1.00642 - Viscosity (mPa s) = 0.70500 + Viscosity (mPa s) = 0.70505 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.867e-05 Mass of water (kg) = 1.000e+00 @@ -3601,7 +3601,7 @@ H2O(g) -1.08 8.309e-02 0.999 0.000e+00 3.212e-04 3.212e-04 Specific Conductance (µS/cm, 42°C) = 9 Density (g/cm³) = 0.99120 Volume (L) = 1.00890 - Viscosity (mPa s) = 0.62319 + Viscosity (mPa s) = 0.62324 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.883e-05 Mass of water (kg) = 1.000e+00 @@ -3681,7 +3681,7 @@ H2O(g) -0.99 1.015e-01 0.998 0.000e+00 3.878e-04 3.878e-04 Specific Conductance (µS/cm, 46°C) = 9 Density (g/cm³) = 0.98958 Volume (L) = 1.01055 - Viscosity (mPa s) = 0.58126 + Viscosity (mPa s) = 0.58131 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.885e-05 Mass of water (kg) = 1.000e+00 @@ -3761,7 +3761,7 @@ H2O(g) -0.95 1.123e-01 0.998 0.000e+00 4.262e-04 4.262e-04 Specific Conductance (µS/cm, 48°C) = 9 Density (g/cm³) = 0.98871 Volume (L) = 1.01144 - Viscosity (mPa s) = 0.56152 + Viscosity (mPa s) = 0.56156 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.884e-05 Mass of water (kg) = 1.000e+00 @@ -3841,7 +3841,7 @@ H2O(g) -0.92 1.216e-01 0.998 0.000e+00 4.593e-04 4.593e-04 Specific Conductance (µS/cm, 50°C) = 9 Density (g/cm³) = 0.98800 Volume (L) = 1.01217 - Viscosity (mPa s) = 0.54651 + Viscosity (mPa s) = 0.54655 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.882e-05 Mass of water (kg) = 1.000e+00 @@ -3921,7 +3921,7 @@ H2O(g) -0.89 1.284e-01 0.998 0.000e+00 4.833e-04 4.833e-04 Specific Conductance (µS/cm, 51°C) = 9 Density (g/cm³) = 0.98750 Volume (L) = 1.01268 - Viscosity (mPa s) = 0.53657 + Viscosity (mPa s) = 0.53661 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.880e-05 Mass of water (kg) = 1.000e+00 @@ -4001,7 +4001,7 @@ H2O(g) -0.82 1.500e-01 0.998 0.000e+00 5.591e-04 5.591e-04 Specific Conductance (µS/cm, 54°C) = 10 Density (g/cm³) = 0.98600 Volume (L) = 1.01422 - Viscosity (mPa s) = 0.50928 + Viscosity (mPa s) = 0.50932 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.873e-05 Mass of water (kg) = 1.000e+00 @@ -4081,7 +4081,7 @@ H2O(g) -0.65 2.260e-01 0.997 0.000e+00 8.212e-04 8.212e-04 Specific Conductance (µS/cm, 63°C) = 10 Density (g/cm³) = 0.98154 Volume (L) = 1.01882 - Viscosity (mPa s) = 0.44500 + Viscosity (mPa s) = 0.44504 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.837e-05 Mass of water (kg) = 1.000e+00 @@ -4161,7 +4161,7 @@ H2O(g) -0.55 2.836e-01 0.996 0.000e+00 1.016e-03 1.016e-03 Specific Conductance (µS/cm, 68°C) = 10 Density (g/cm³) = 0.97875 Volume (L) = 1.02172 - Viscosity (mPa s) = 0.41371 + Viscosity (mPa s) = 0.41374 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.808e-05 Mass of water (kg) = 1.000e+00 @@ -4241,7 +4241,7 @@ H2O(g) -0.47 3.399e-01 0.996 0.000e+00 1.203e-03 1.203e-03 Specific Conductance (µS/cm, 72°C) = 11 Density (g/cm³) = 0.97635 Volume (L) = 1.02423 - Viscosity (mPa s) = 0.39062 + Viscosity (mPa s) = 0.39066 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.780e-05 Mass of water (kg) = 1.000e+00 @@ -4321,7 +4321,7 @@ H2O(g) -0.43 3.746e-01 0.996 0.000e+00 1.317e-03 1.317e-03 Specific Conductance (µS/cm, 75°C) = 11 Density (g/cm³) = 0.97500 Volume (L) = 1.02565 - Viscosity (mPa s) = 0.37889 + Viscosity (mPa s) = 0.37892 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.763e-05 Mass of water (kg) = 1.000e+00 @@ -4401,7 +4401,7 @@ H2O(g) -0.42 3.793e-01 0.996 0.000e+00 1.333e-03 1.333e-03 Specific Conductance (µS/cm, 75°C) = 11 Density (g/cm³) = 0.97482 Volume (L) = 1.02584 - Viscosity (mPa s) = 0.37741 + Viscosity (mPa s) = 0.37744 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.760e-05 Mass of water (kg) = 1.000e+00 @@ -4481,7 +4481,7 @@ H2O(g) -0.00 9.977e-01 0.991 0.000e+00 3.287e-03 3.287e-03 Specific Conductance (µS/cm, 100°C) = 11 Density (g/cm³) = 0.95835 Volume (L) = 1.04342 - Viscosity (mPa s) = 0.28159 + Viscosity (mPa s) = 0.28162 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.535e-05 Mass of water (kg) = 9.999e-01 @@ -4561,7 +4561,7 @@ H2O(g) -0.00 9.977e-01 0.991 0.000e+00 3.287e-03 3.287e-03 Specific Conductance (µS/cm, 100°C) = 11 Density (g/cm³) = 0.95835 Volume (L) = 1.04342 - Viscosity (mPa s) = 0.28159 + Viscosity (mPa s) = 0.28162 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.535e-05 Mass of water (kg) = 9.999e-01 @@ -4641,7 +4641,7 @@ H2O(g) -0.00 9.977e-01 0.991 0.000e+00 3.287e-03 3.287e-03 Specific Conductance (µS/cm, 100°C) = 11 Density (g/cm³) = 0.95835 Volume (L) = 1.04342 - Viscosity (mPa s) = 0.28159 + Viscosity (mPa s) = 0.28162 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.535e-05 Mass of water (kg) = 9.999e-01 @@ -4721,7 +4721,7 @@ H2O(g) 0.36 2.290e+00 0.983 0.000e+00 7.128e-03 7.128e-03 Specific Conductance (µS/cm, 125°C) = 10 Density (g/cm³) = 0.93903 Volume (L) = 1.06482 - Viscosity (mPa s) = 0.22211 + Viscosity (mPa s) = 0.22213 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.279e-05 Mass of water (kg) = 9.999e-01 @@ -4801,7 +4801,7 @@ H2O(g) 0.67 4.704e+00 0.971 0.000e+00 1.396e-02 1.396e-02 Specific Conductance (µS/cm, 150°C) = 8 Density (g/cm³) = 0.91701 Volume (L) = 1.09025 - Viscosity (mPa s) = 0.18262 + Viscosity (mPa s) = 0.18263 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.035e-05 Mass of water (kg) = 9.997e-01 @@ -4881,7 +4881,7 @@ H2O(g) 0.74 5.513e+00 0.967 0.000e+00 1.620e-02 1.620e-02 Specific Conductance (µS/cm, 156°C) = 8 Density (g/cm³) = 0.91133 Volume (L) = 1.09701 - Viscosity (mPa s) = 0.17511 + Viscosity (mPa s) = 0.17512 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.812e-06 Mass of water (kg) = 9.997e-01 @@ -4961,7 +4961,7 @@ H2O(g) 0.95 8.830e+00 0.954 0.000e+00 2.522e-02 2.522e-02 Specific Conductance (µS/cm, 175°C) = 7 Density (g/cm³) = 0.89229 Volume (L) = 1.12024 - Viscosity (mPa s) = 0.15493 + Viscosity (mPa s) = 0.15494 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.243e-06 Mass of water (kg) = 9.995e-01 @@ -5041,7 +5041,7 @@ H2O(g) 0.97 9.255e+00 0.952 0.000e+00 2.637e-02 2.637e-02 Specific Conductance (µS/cm, 177°C) = 7 Density (g/cm³) = 0.89019 Volume (L) = 1.12286 - Viscosity (mPa s) = 0.15307 + Viscosity (mPa s) = 0.15308 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.092e-06 Mass of water (kg) = 9.995e-01 @@ -5121,7 +5121,7 @@ H2O(g) 1.19 1.539e+01 0.931 0.000e+00 4.276e-02 4.276e-02 Specific Conductance (µS/cm, 200°C) = 5 Density (g/cm³) = 0.86467 Volume (L) = 1.15566 - Viscosity (mPa s) = 0.13464 + Viscosity (mPa s) = 0.13466 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.539e-06 Mass of water (kg) = 9.992e-01 @@ -5201,7 +5201,7 @@ H2O(g) 1.19 1.539e+01 0.931 0.000e+00 4.276e-02 4.276e-02 Specific Conductance (µS/cm, 200°C) = 5 Density (g/cm³) = 0.86467 Volume (L) = 1.15566 - Viscosity (mPa s) = 0.13464 + Viscosity (mPa s) = 0.13466 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.539e-06 Mass of water (kg) = 9.992e-01 @@ -5281,7 +5281,7 @@ H2O(g) 1.21 1.604e+01 0.929 0.000e+00 4.451e-02 4.451e-02 Specific Conductance (µS/cm, 202°C) = 5 Density (g/cm³) = 0.86232 Volume (L) = 1.15876 - Viscosity (mPa s) = 0.13323 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13325 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 6.420e-06 Mass of water (kg) = 9.992e-01 @@ -5361,7 +5361,7 @@ H2O(g) 1.22 1.672e+01 0.927 0.000e+00 4.630e-02 4.630e-02 Specific Conductance (µS/cm, 204°C) = 5 Density (g/cm³) = 0.85996 Volume (L) = 1.16191 - Viscosity (mPa s) = 0.13186 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13187 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 6.304e-06 Mass of water (kg) = 9.992e-01 @@ -5441,7 +5441,7 @@ H2O(g) 1.40 2.521e+01 0.903 0.000e+00 6.900e-02 6.900e-02 Specific Conductance (µS/cm, 225°C) = 4 Density (g/cm³) = 0.83378 Volume (L) = 1.19790 - Viscosity (mPa s) = 0.11895 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11896 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.233e-06 Mass of water (kg) = 9.988e-01 @@ -5521,7 +5521,7 @@ H2O(g) 1.43 2.715e+01 0.898 0.000e+00 7.421e-02 7.421e-02 Specific Conductance (µS/cm, 229°C) = 4 Density (g/cm³) = 0.82850 Volume (L) = 1.20542 - Viscosity (mPa s) = 0.11676 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11677 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.058e-06 Mass of water (kg) = 9.987e-01 @@ -5601,7 +5601,7 @@ H2O(g) 1.43 2.715e+01 0.898 0.000e+00 7.421e-02 7.421e-02 Specific Conductance (µS/cm, 229°C) = 4 Density (g/cm³) = 0.82850 Volume (L) = 1.20542 - Viscosity (mPa s) = 0.11676 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11677 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.058e-06 Mass of water (kg) = 9.987e-01 @@ -6850,7 +6850,7 @@ H2O(g) -2.21 6.170e-03 1.000 0.000e+00 2.753e-05 2.753e-05 Specific Conductance (µS/cm, 0°C) = 3 Density (g/cm³) = 0.99980 Volume (L) = 1.00024 - Viscosity (mPa s) = 1.79202 + Viscosity (mPa s) = 1.79226 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.426e-05 Mass of water (kg) = 1.000e+00 @@ -6930,7 +6930,7 @@ H2O(g) -2.21 6.170e-03 1.000 0.000e+00 2.753e-05 2.753e-05 Specific Conductance (µS/cm, 0°C) = 3 Density (g/cm³) = 0.99980 Volume (L) = 1.00024 - Viscosity (mPa s) = 1.79202 + Viscosity (mPa s) = 1.79226 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.426e-05 Mass of water (kg) = 1.000e+00 @@ -7010,7 +7010,7 @@ H2O(g) -2.18 6.627e-03 1.000 0.000e+00 2.946e-05 2.946e-05 Specific Conductance (µS/cm, 1°C) = 3 Density (g/cm³) = 0.99986 Volume (L) = 1.00018 - Viscosity (mPa s) = 1.73126 + Viscosity (mPa s) = 1.73149 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.447e-05 Mass of water (kg) = 1.000e+00 @@ -7090,7 +7090,7 @@ H2O(g) -2.15 7.113e-03 1.000 0.000e+00 3.151e-05 3.151e-05 Specific Conductance (µS/cm, 2°C) = 3 Density (g/cm³) = 0.99990 Volume (L) = 1.00013 - Viscosity (mPa s) = 1.67374 + Viscosity (mPa s) = 1.67395 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.467e-05 Mass of water (kg) = 1.000e+00 @@ -7170,7 +7170,7 @@ H2O(g) -2.09 8.182e-03 1.000 0.000e+00 3.598e-05 3.598e-05 Specific Conductance (µS/cm, 4°C) = 4 Density (g/cm³) = 0.99993 Volume (L) = 1.00010 - Viscosity (mPa s) = 1.56748 + Viscosity (mPa s) = 1.56767 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.505e-05 Mass of water (kg) = 1.000e+00 @@ -7250,7 +7250,7 @@ H2O(g) -2.06 8.768e-03 1.000 0.000e+00 3.842e-05 3.842e-05 Specific Conductance (µS/cm, 5°C) = 4 Density (g/cm³) = 0.99992 Volume (L) = 1.00011 - Viscosity (mPa s) = 1.51835 + Viscosity (mPa s) = 1.51853 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.524e-05 Mass of water (kg) = 1.000e+00 @@ -7330,7 +7330,7 @@ H2O(g) -2.03 9.391e-03 1.000 0.000e+00 4.100e-05 4.100e-05 Specific Conductance (µS/cm, 6°C) = 4 Density (g/cm³) = 0.99990 Volume (L) = 1.00013 - Viscosity (mPa s) = 1.47164 + Viscosity (mPa s) = 1.47181 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.542e-05 Mass of water (kg) = 1.000e+00 @@ -7410,7 +7410,7 @@ H2O(g) -1.97 1.076e-02 1.000 0.000e+00 4.663e-05 4.663e-05 Specific Conductance (µS/cm, 8°C) = 4 Density (g/cm³) = 0.99981 Volume (L) = 1.00022 - Viscosity (mPa s) = 1.38486 + Viscosity (mPa s) = 1.38501 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.577e-05 Mass of water (kg) = 1.000e+00 @@ -7490,7 +7490,7 @@ H2O(g) -1.91 1.229e-02 1.000 0.000e+00 5.292e-05 5.292e-05 Specific Conductance (µS/cm, 10°C) = 4 Density (g/cm³) = 0.99966 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.30602 + Viscosity (mPa s) = 1.30616 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.610e-05 Mass of water (kg) = 1.000e+00 @@ -7570,7 +7570,7 @@ H2O(g) -1.91 1.229e-02 1.000 0.000e+00 5.292e-05 5.292e-05 Specific Conductance (µS/cm, 10°C) = 4 Density (g/cm³) = 0.99966 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.30602 + Viscosity (mPa s) = 1.30616 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.610e-05 Mass of water (kg) = 1.000e+00 @@ -7650,7 +7650,7 @@ H2O(g) -1.91 1.229e-02 1.000 0.000e+00 5.292e-05 5.292e-05 Specific Conductance (µS/cm, 10°C) = 4 Density (g/cm³) = 0.99966 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.30602 + Viscosity (mPa s) = 1.30616 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.610e-05 Mass of water (kg) = 1.000e+00 @@ -7730,7 +7730,7 @@ H2O(g) -1.85 1.402e-02 1.000 0.000e+00 5.993e-05 5.993e-05 Specific Conductance (µS/cm, 12°C) = 5 Density (g/cm³) = 0.99946 Volume (L) = 1.00057 - Viscosity (mPa s) = 1.23414 + Viscosity (mPa s) = 1.23427 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.641e-05 Mass of water (kg) = 1.000e+00 @@ -7810,7 +7810,7 @@ H2O(g) -1.82 1.525e-02 1.000 0.000e+00 6.491e-05 6.491e-05 Specific Conductance (µS/cm, 13°C) = 5 Density (g/cm³) = 0.99930 Volume (L) = 1.00073 - Viscosity (mPa s) = 1.19077 + Viscosity (mPa s) = 1.19089 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.660e-05 Mass of water (kg) = 1.000e+00 @@ -7890,7 +7890,7 @@ H2O(g) -1.80 1.596e-02 1.000 0.000e+00 6.774e-05 6.774e-05 Specific Conductance (µS/cm, 14°C) = 5 Density (g/cm³) = 0.99921 Volume (L) = 1.00083 - Viscosity (mPa s) = 1.16842 + Viscosity (mPa s) = 1.16854 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.670e-05 Mass of water (kg) = 1.000e+00 @@ -7970,7 +7970,7 @@ H2O(g) -1.77 1.690e-02 0.999 0.000e+00 7.154e-05 7.154e-05 Specific Conductance (µS/cm, 15°C) = 5 Density (g/cm³) = 0.99908 Volume (L) = 1.00096 - Viscosity (mPa s) = 1.14066 + Viscosity (mPa s) = 1.14078 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.683e-05 Mass of water (kg) = 1.000e+00 @@ -8050,7 +8050,7 @@ H2O(g) -1.77 1.701e-02 0.999 0.000e+00 7.197e-05 7.197e-05 Specific Conductance (µS/cm, 15°C) = 5 Density (g/cm³) = 0.99906 Volume (L) = 1.00097 - Viscosity (mPa s) = 1.13764 + Viscosity (mPa s) = 1.13776 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.684e-05 Mass of water (kg) = 1.000e+00 @@ -8130,7 +8130,7 @@ H2O(g) -1.77 1.701e-02 0.999 0.000e+00 7.197e-05 7.197e-05 Specific Conductance (µS/cm, 15°C) = 5 Density (g/cm³) = 0.99906 Volume (L) = 1.00097 - Viscosity (mPa s) = 1.13764 + Viscosity (mPa s) = 1.13776 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.684e-05 Mass of water (kg) = 1.000e+00 @@ -8210,7 +8210,7 @@ H2O(g) -1.74 1.813e-02 0.999 0.000e+00 7.643e-05 7.643e-05 Specific Conductance (µS/cm, 16°C) = 5 Density (g/cm³) = 0.99891 Volume (L) = 1.00113 - Viscosity (mPa s) = 1.10815 + Viscosity (mPa s) = 1.10826 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.698e-05 Mass of water (kg) = 1.000e+00 @@ -8290,7 +8290,7 @@ H2O(g) -1.70 2.005e-02 0.999 0.000e+00 8.406e-05 8.406e-05 Specific Conductance (µS/cm, 18°C) = 6 Density (g/cm³) = 0.99863 Volume (L) = 1.00140 - Viscosity (mPa s) = 1.06346 + Viscosity (mPa s) = 1.06356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.718e-05 Mass of water (kg) = 1.000e+00 @@ -8370,7 +8370,7 @@ H2O(g) -1.69 2.055e-02 0.999 0.000e+00 8.606e-05 8.606e-05 Specific Conductance (µS/cm, 18°C) = 6 Density (g/cm³) = 0.99856 Volume (L) = 1.00148 - Viscosity (mPa s) = 1.05273 + Viscosity (mPa s) = 1.05283 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.723e-05 Mass of water (kg) = 1.000e+00 @@ -8450,7 +8450,7 @@ H2O(g) -1.64 2.298e-02 0.999 0.000e+00 9.562e-05 9.562e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99821 Volume (L) = 1.00183 - Viscosity (mPa s) = 1.00657 + Viscosity (mPa s) = 1.00667 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.744e-05 Mass of water (kg) = 1.000e+00 @@ -8530,7 +8530,7 @@ H2O(g) -1.63 2.326e-02 0.999 0.000e+00 9.674e-05 9.674e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99817 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00165 + Viscosity (mPa s) = 1.00174 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.746e-05 Mass of water (kg) = 1.000e+00 @@ -8610,7 +8610,7 @@ H2O(g) -1.63 2.326e-02 0.999 0.000e+00 9.674e-05 9.674e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99817 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00165 + Viscosity (mPa s) = 1.00174 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.746e-05 Mass of water (kg) = 1.000e+00 @@ -8690,7 +8690,7 @@ H2O(g) -1.63 2.326e-02 0.999 0.000e+00 9.674e-05 9.674e-05 Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99817 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00165 + Viscosity (mPa s) = 1.00174 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.746e-05 Mass of water (kg) = 1.000e+00 @@ -8770,7 +8770,7 @@ H2O(g) -1.58 2.628e-02 0.999 0.000e+00 1.085e-04 1.085e-04 Specific Conductance (µS/cm, 22°C) = 6 Density (g/cm³) = 0.99773 Volume (L) = 1.00230 - Viscosity (mPa s) = 0.95444 + Viscosity (mPa s) = 0.95452 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.768e-05 Mass of water (kg) = 1.000e+00 @@ -8850,7 +8850,7 @@ H2O(g) -1.53 2.963e-02 0.999 0.000e+00 1.216e-04 1.216e-04 Specific Conductance (µS/cm, 24°C) = 6 Density (g/cm³) = 0.99726 Volume (L) = 1.00278 - Viscosity (mPa s) = 0.91072 + Viscosity (mPa s) = 0.91080 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.787e-05 Mass of water (kg) = 1.000e+00 @@ -8930,7 +8930,7 @@ H2O(g) -1.50 3.144e-02 0.999 0.000e+00 1.286e-04 1.286e-04 Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99701 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89005 + Viscosity (mPa s) = 0.89013 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-05 Mass of water (kg) = 1.000e+00 @@ -9010,7 +9010,7 @@ H2O(g) -1.50 3.144e-02 0.999 0.000e+00 1.286e-04 1.286e-04 Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99701 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89005 + Viscosity (mPa s) = 0.89013 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-05 Mass of water (kg) = 1.000e+00 @@ -9090,7 +9090,7 @@ H2O(g) -1.48 3.296e-02 0.999 0.000e+00 1.344e-04 1.344e-04 Specific Conductance (µS/cm, 26°C) = 7 Density (g/cm³) = 0.99680 Volume (L) = 1.00324 - Viscosity (mPa s) = 0.87406 + Viscosity (mPa s) = 0.87414 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.803e-05 Mass of water (kg) = 1.000e+00 @@ -9170,7 +9170,7 @@ H2O(g) -1.48 3.335e-02 0.999 0.000e+00 1.359e-04 1.359e-04 Specific Conductance (µS/cm, 26°C) = 7 Density (g/cm³) = 0.99675 Volume (L) = 1.00329 - Viscosity (mPa s) = 0.87014 + Viscosity (mPa s) = 0.87021 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.805e-05 Mass of water (kg) = 1.000e+00 @@ -9250,7 +9250,7 @@ H2O(g) -1.43 3.747e-02 0.999 0.000e+00 1.517e-04 1.517e-04 Specific Conductance (µS/cm, 28°C) = 7 Density (g/cm³) = 0.99620 Volume (L) = 1.00385 - Viscosity (mPa s) = 0.83240 + Viscosity (mPa s) = 0.83247 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.820e-05 Mass of water (kg) = 1.000e+00 @@ -9330,7 +9330,7 @@ H2O(g) -1.38 4.156e-02 0.999 0.000e+00 1.673e-04 1.673e-04 Specific Conductance (µS/cm, 30°C) = 7 Density (g/cm³) = 0.99567 Volume (L) = 1.00438 - Viscosity (mPa s) = 0.80065 + Viscosity (mPa s) = 0.80071 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.832e-05 Mass of water (kg) = 1.000e+00 @@ -9410,7 +9410,7 @@ H2O(g) -1.38 4.203e-02 0.999 0.000e+00 1.691e-04 1.691e-04 Specific Conductance (µS/cm, 30°C) = 7 Density (g/cm³) = 0.99561 Volume (L) = 1.00444 - Viscosity (mPa s) = 0.79724 + Viscosity (mPa s) = 0.79730 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.834e-05 Mass of water (kg) = 1.000e+00 @@ -9490,7 +9490,7 @@ H2O(g) -1.37 4.276e-02 0.999 0.000e+00 1.718e-04 1.718e-04 Specific Conductance (µS/cm, 30°C) = 7 Density (g/cm³) = 0.99552 Volume (L) = 1.00453 - Viscosity (mPa s) = 0.79217 + Viscosity (mPa s) = 0.79224 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.836e-05 Mass of water (kg) = 1.000e+00 @@ -9570,7 +9570,7 @@ H2O(g) -1.33 4.707e-02 0.999 0.000e+00 1.881e-04 1.881e-04 Specific Conductance (µS/cm, 32°C) = 7 Density (g/cm³) = 0.99499 Volume (L) = 1.00506 - Viscosity (mPa s) = 0.76442 + Viscosity (mPa s) = 0.76448 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.846e-05 Mass of water (kg) = 1.000e+00 @@ -9650,7 +9650,7 @@ H2O(g) -1.33 4.707e-02 0.999 0.000e+00 1.881e-04 1.881e-04 Specific Conductance (µS/cm, 32°C) = 7 Density (g/cm³) = 0.99499 Volume (L) = 1.00506 - Viscosity (mPa s) = 0.76442 + Viscosity (mPa s) = 0.76448 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.846e-05 Mass of water (kg) = 1.000e+00 @@ -9730,7 +9730,7 @@ H2O(g) -1.30 5.034e-02 0.999 0.000e+00 2.004e-04 2.004e-04 Specific Conductance (µS/cm, 33°C) = 8 Density (g/cm³) = 0.99460 Volume (L) = 1.00546 - Viscosity (mPa s) = 0.74577 + Viscosity (mPa s) = 0.74583 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.852e-05 Mass of water (kg) = 1.000e+00 @@ -9810,7 +9810,7 @@ H2O(g) -1.28 5.263e-02 0.999 0.000e+00 2.090e-04 2.090e-04 Specific Conductance (µS/cm, 34°C) = 8 Density (g/cm³) = 0.99433 Volume (L) = 1.00573 - Viscosity (mPa s) = 0.73374 + Viscosity (mPa s) = 0.73379 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.856e-05 Mass of water (kg) = 1.000e+00 @@ -9890,7 +9890,7 @@ H2O(g) -1.27 5.351e-02 0.999 0.000e+00 2.123e-04 2.123e-04 Specific Conductance (µS/cm, 34°C) = 8 Density (g/cm³) = 0.99423 Volume (L) = 1.00583 - Viscosity (mPa s) = 0.72930 + Viscosity (mPa s) = 0.72936 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.857e-05 Mass of water (kg) = 1.000e+00 @@ -9970,7 +9970,7 @@ H2O(g) -1.26 5.440e-02 0.999 0.000e+00 2.156e-04 2.156e-04 Specific Conductance (µS/cm, 35°C) = 8 Density (g/cm³) = 0.99413 Volume (L) = 1.00593 - Viscosity (mPa s) = 0.72492 + Viscosity (mPa s) = 0.72497 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.858e-05 Mass of water (kg) = 1.000e+00 @@ -10050,7 +10050,7 @@ H2O(g) -1.25 5.562e-02 0.999 0.000e+00 2.201e-04 2.201e-04 Specific Conductance (µS/cm, 35°C) = 8 Density (g/cm³) = 0.99399 Volume (L) = 1.00607 - Viscosity (mPa s) = 0.71913 + Viscosity (mPa s) = 0.71919 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.860e-05 Mass of water (kg) = 1.000e+00 @@ -10130,7 +10130,7 @@ H2O(g) -1.25 5.562e-02 0.999 0.000e+00 2.201e-04 2.201e-04 Specific Conductance (µS/cm, 35°C) = 8 Density (g/cm³) = 0.99399 Volume (L) = 1.00607 - Viscosity (mPa s) = 0.71913 + Viscosity (mPa s) = 0.71919 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.860e-05 Mass of water (kg) = 1.000e+00 @@ -10210,7 +10210,7 @@ H2O(g) -1.23 5.875e-02 0.999 0.000e+00 2.318e-04 2.318e-04 Specific Conductance (µS/cm, 36°C) = 8 Density (g/cm³) = 0.99365 Volume (L) = 1.00642 - Viscosity (mPa s) = 0.70500 + Viscosity (mPa s) = 0.70505 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.864e-05 Mass of water (kg) = 1.000e+00 @@ -10290,7 +10290,7 @@ H2O(g) -1.08 8.310e-02 0.999 0.000e+00 3.212e-04 3.212e-04 Specific Conductance (µS/cm, 42°C) = 9 Density (g/cm³) = 0.99120 Volume (L) = 1.00890 - Viscosity (mPa s) = 0.62319 + Viscosity (mPa s) = 0.62324 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.879e-05 Mass of water (kg) = 1.000e+00 @@ -10370,7 +10370,7 @@ H2O(g) -0.99 1.015e-01 0.998 0.000e+00 3.878e-04 3.878e-04 Specific Conductance (µS/cm, 46°C) = 9 Density (g/cm³) = 0.98958 Volume (L) = 1.01055 - Viscosity (mPa s) = 0.58126 + Viscosity (mPa s) = 0.58131 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.880e-05 Mass of water (kg) = 1.000e+00 @@ -10450,7 +10450,7 @@ H2O(g) -0.95 1.123e-01 0.998 0.000e+00 4.262e-04 4.262e-04 Specific Conductance (µS/cm, 48°C) = 9 Density (g/cm³) = 0.98871 Volume (L) = 1.01144 - Viscosity (mPa s) = 0.56152 + Viscosity (mPa s) = 0.56156 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.879e-05 Mass of water (kg) = 1.000e+00 @@ -10530,7 +10530,7 @@ H2O(g) -0.92 1.216e-01 0.998 0.000e+00 4.593e-04 4.593e-04 Specific Conductance (µS/cm, 50°C) = 9 Density (g/cm³) = 0.98800 Volume (L) = 1.01217 - Viscosity (mPa s) = 0.54651 + Viscosity (mPa s) = 0.54655 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.877e-05 Mass of water (kg) = 1.000e+00 @@ -10610,7 +10610,7 @@ H2O(g) -0.89 1.284e-01 0.998 0.000e+00 4.833e-04 4.833e-04 Specific Conductance (µS/cm, 51°C) = 9 Density (g/cm³) = 0.98750 Volume (L) = 1.01268 - Viscosity (mPa s) = 0.53657 + Viscosity (mPa s) = 0.53661 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.875e-05 Mass of water (kg) = 1.000e+00 @@ -10690,7 +10690,7 @@ H2O(g) -0.82 1.500e-01 0.998 0.000e+00 5.591e-04 5.591e-04 Specific Conductance (µS/cm, 54°C) = 10 Density (g/cm³) = 0.98600 Volume (L) = 1.01422 - Viscosity (mPa s) = 0.50928 + Viscosity (mPa s) = 0.50932 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.867e-05 Mass of water (kg) = 1.000e+00 @@ -10770,7 +10770,7 @@ H2O(g) -0.65 2.260e-01 0.997 0.000e+00 8.212e-04 8.212e-04 Specific Conductance (µS/cm, 63°C) = 10 Density (g/cm³) = 0.98154 Volume (L) = 1.01882 - Viscosity (mPa s) = 0.44500 + Viscosity (mPa s) = 0.44504 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.830e-05 Mass of water (kg) = 1.000e+00 @@ -10850,7 +10850,7 @@ H2O(g) -0.55 2.836e-01 0.996 0.000e+00 1.016e-03 1.016e-03 Specific Conductance (µS/cm, 68°C) = 10 Density (g/cm³) = 0.97875 Volume (L) = 1.02172 - Viscosity (mPa s) = 0.41371 + Viscosity (mPa s) = 0.41374 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-05 Mass of water (kg) = 1.000e+00 @@ -10930,7 +10930,7 @@ H2O(g) -0.47 3.399e-01 0.996 0.000e+00 1.203e-03 1.203e-03 Specific Conductance (µS/cm, 72°C) = 10 Density (g/cm³) = 0.97635 Volume (L) = 1.02423 - Viscosity (mPa s) = 0.39062 + Viscosity (mPa s) = 0.39066 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-05 Mass of water (kg) = 1.000e+00 @@ -11010,7 +11010,7 @@ H2O(g) -0.43 3.746e-01 0.996 0.000e+00 1.317e-03 1.317e-03 Specific Conductance (µS/cm, 75°C) = 11 Density (g/cm³) = 0.97500 Volume (L) = 1.02565 - Viscosity (mPa s) = 0.37889 + Viscosity (mPa s) = 0.37892 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-05 Mass of water (kg) = 1.000e+00 @@ -11090,7 +11090,7 @@ H2O(g) -0.42 3.793e-01 0.996 0.000e+00 1.333e-03 1.333e-03 Specific Conductance (µS/cm, 75°C) = 11 Density (g/cm³) = 0.97482 Volume (L) = 1.02584 - Viscosity (mPa s) = 0.37741 + Viscosity (mPa s) = 0.37744 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.753e-05 Mass of water (kg) = 1.000e+00 @@ -11170,7 +11170,7 @@ H2O(g) -0.00 9.977e-01 0.991 0.000e+00 3.287e-03 3.287e-03 Specific Conductance (µS/cm, 100°C) = 11 Density (g/cm³) = 0.95835 Volume (L) = 1.04342 - Viscosity (mPa s) = 0.28159 + Viscosity (mPa s) = 0.28162 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.527e-05 Mass of water (kg) = 9.999e-01 @@ -11250,7 +11250,7 @@ H2O(g) -0.00 9.977e-01 0.991 0.000e+00 3.287e-03 3.287e-03 Specific Conductance (µS/cm, 100°C) = 11 Density (g/cm³) = 0.95835 Volume (L) = 1.04342 - Viscosity (mPa s) = 0.28159 + Viscosity (mPa s) = 0.28162 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.527e-05 Mass of water (kg) = 9.999e-01 @@ -11330,7 +11330,7 @@ H2O(g) -0.00 9.977e-01 0.991 0.000e+00 3.287e-03 3.287e-03 Specific Conductance (µS/cm, 100°C) = 11 Density (g/cm³) = 0.95835 Volume (L) = 1.04342 - Viscosity (mPa s) = 0.28159 + Viscosity (mPa s) = 0.28162 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.527e-05 Mass of water (kg) = 9.999e-01 @@ -11410,7 +11410,7 @@ H2O(g) 0.36 2.290e+00 0.983 0.000e+00 7.128e-03 7.128e-03 Specific Conductance (µS/cm, 125°C) = 10 Density (g/cm³) = 0.93903 Volume (L) = 1.06482 - Viscosity (mPa s) = 0.22211 + Viscosity (mPa s) = 0.22213 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.272e-05 Mass of water (kg) = 9.999e-01 @@ -11490,7 +11490,7 @@ H2O(g) 0.67 4.704e+00 0.971 0.000e+00 1.396e-02 1.396e-02 Specific Conductance (µS/cm, 150°C) = 8 Density (g/cm³) = 0.91701 Volume (L) = 1.09025 - Viscosity (mPa s) = 0.18262 + Viscosity (mPa s) = 0.18263 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.030e-05 Mass of water (kg) = 9.997e-01 @@ -11570,7 +11570,7 @@ H2O(g) 0.74 5.513e+00 0.967 0.000e+00 1.620e-02 1.620e-02 Specific Conductance (µS/cm, 156°C) = 8 Density (g/cm³) = 0.91133 Volume (L) = 1.09701 - Viscosity (mPa s) = 0.17511 + Viscosity (mPa s) = 0.17512 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.767e-06 Mass of water (kg) = 9.997e-01 @@ -11650,7 +11650,7 @@ H2O(g) 0.95 8.830e+00 0.954 0.000e+00 2.522e-02 2.522e-02 Specific Conductance (µS/cm, 175°C) = 7 Density (g/cm³) = 0.89229 Volume (L) = 1.12024 - Viscosity (mPa s) = 0.15493 + Viscosity (mPa s) = 0.15494 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.211e-06 Mass of water (kg) = 9.995e-01 @@ -11730,7 +11730,7 @@ H2O(g) 0.97 9.255e+00 0.952 0.000e+00 2.637e-02 2.637e-02 Specific Conductance (µS/cm, 177°C) = 7 Density (g/cm³) = 0.89019 Volume (L) = 1.12286 - Viscosity (mPa s) = 0.15307 + Viscosity (mPa s) = 0.15308 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.061e-06 Mass of water (kg) = 9.995e-01 @@ -11810,7 +11810,7 @@ H2O(g) 1.19 1.539e+01 0.931 0.000e+00 4.276e-02 4.276e-02 Specific Conductance (µS/cm, 200°C) = 5 Density (g/cm³) = 0.86467 Volume (L) = 1.15565 - Viscosity (mPa s) = 0.13464 + Viscosity (mPa s) = 0.13466 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.520e-06 Mass of water (kg) = 9.992e-01 @@ -11890,7 +11890,7 @@ H2O(g) 1.19 1.539e+01 0.931 0.000e+00 4.276e-02 4.276e-02 Specific Conductance (µS/cm, 200°C) = 5 Density (g/cm³) = 0.86467 Volume (L) = 1.15565 - Viscosity (mPa s) = 0.13464 + Viscosity (mPa s) = 0.13466 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.520e-06 Mass of water (kg) = 9.992e-01 @@ -11970,7 +11970,7 @@ H2O(g) 1.21 1.604e+01 0.929 0.000e+00 4.451e-02 4.451e-02 Specific Conductance (µS/cm, 202°C) = 5 Density (g/cm³) = 0.86232 Volume (L) = 1.15876 - Viscosity (mPa s) = 0.13323 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13325 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 6.402e-06 Mass of water (kg) = 9.992e-01 @@ -12050,7 +12050,7 @@ H2O(g) 1.22 1.672e+01 0.927 0.000e+00 4.630e-02 4.630e-02 Specific Conductance (µS/cm, 204°C) = 5 Density (g/cm³) = 0.85996 Volume (L) = 1.16191 - Viscosity (mPa s) = 0.13186 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13187 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 6.287e-06 Mass of water (kg) = 9.992e-01 @@ -12130,7 +12130,7 @@ H2O(g) 1.40 2.521e+01 0.903 0.000e+00 6.900e-02 6.900e-02 Specific Conductance (µS/cm, 225°C) = 4 Density (g/cm³) = 0.83378 Volume (L) = 1.19790 - Viscosity (mPa s) = 0.11895 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11896 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.222e-06 Mass of water (kg) = 9.988e-01 @@ -12210,7 +12210,7 @@ H2O(g) 1.43 2.715e+01 0.898 0.000e+00 7.421e-02 7.421e-02 Specific Conductance (µS/cm, 229°C) = 4 Density (g/cm³) = 0.82850 Volume (L) = 1.20542 - Viscosity (mPa s) = 0.11676 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11677 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.048e-06 Mass of water (kg) = 9.987e-01 @@ -12290,7 +12290,7 @@ H2O(g) 1.43 2.715e+01 0.898 0.000e+00 7.421e-02 7.421e-02 Specific Conductance (µS/cm, 229°C) = 4 Density (g/cm³) = 0.82850 Volume (L) = 1.20542 - Viscosity (mPa s) = 0.11676 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11677 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.048e-06 Mass of water (kg) = 9.987e-01 diff --git a/mytest/CO2_K_H_101.sel b/mytest/CO2_K_H_101.sel index 71e06814a..e034390c7 100644 --- a/mytest/CO2_K_H_101.sel +++ b/mytest/CO2_K_H_101.sel @@ -1,168 +1,168 @@ Mu SC - 0.000014289445 3.5010730891 - 0.000014256658 3.4922503602 - 0.000014256658 3.4922503602 - 0.000014460458 3.6302981121 - 0.000014660176 3.7695603162 - 0.000015046960 4.0512155829 - 0.000015233843 4.1933536823 - 0.000015416278 4.3361967645 - 0.000015767512 4.6234985253 - 0.000016100153 4.9121365213 - 0.000016100153 4.9121365213 - 0.000016100153 4.9121365213 - 0.000016413798 5.2011532951 - 0.000016607335 5.3887775103 - 0.000016708147 5.4896234654 - 0.000016834250 5.6190184284 - 0.000016848017 5.6333742459 - 0.000016848017 5.6333742459 - 0.000016982992 5.7766580402 - 0.000017188747 6.0046801829 - 0.000017238221 6.0614081058 - 0.000017451129 6.3150627748 - 0.000017473804 6.3430676014 - 0.000017473804 6.3430676014 - 0.000017473804 6.3430676014 - 0.000017689790 6.6208756545 - 0.000017886302 6.8941182272 - 0.000017977313 7.0288174155 - 0.000017977313 7.0288174155 - 0.000018046669 7.1355815425 - 0.000018063531 7.1621292437 - 0.000018221727 7.4242912335 - 0.000018348082 7.6547651075 - 0.000018361196 7.6800355088 - 0.000018380523 7.7178108511 - 0.000018482294 7.9288421244 - 0.000018482294 7.9288421244 - 0.000018546298 8.0745976920 - 0.000018585418 8.1702391435 - 0.000018599363 8.2057827703 - 0.000018612915 8.2411487030 - 0.000018630376 8.2880245910 - 0.000018630376 8.2880245910 - 0.000018671006 8.4038020906 - 0.000018833914 9.1045095228 - 0.000018852563 9.4792002663 - 0.000018840810 9.6574293375 - 0.000018821517 9.7930958344 - 0.000018803322 9.8827717441 - 0.000018728529 10.1268819420 - 0.000018371681 10.6692114493 - 0.000018077603 10.8981530768 - 0.000017795251 11.0412280220 - 0.000017627083 11.1027269629 - 0.000017604495 11.1098885921 - 0.000015347887 11.0870738040 - 0.000015347887 11.0870738040 - 0.000015347887 11.0870738040 - 0.000012791094 10.1602844238 - 0.000010353193 8.7861703553 - 0.000009812279 8.4326764470 - 0.000008243419 7.3253037590 - 0.000008091792 7.2124074733 - 0.000006538866 5.9945574824 - 0.000006538866 5.9945574824 - 0.000006420244 5.8985052873 - 0.000006304180 5.8036947461 - 0.000005233172 4.8953089600 - 0.000005057969 4.7403131372 - 0.000005057969 4.7403131372 - 0.000004811102 4.5180376746 - 0.000004272027 4.0126096608 - 0.000003942282 3.6844284480 - 0.000003942282 3.6844284480 - 0.000003835496 3.5737128257 - 0.000003835496 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6.3380647661 + 0.000017463375 6.3380647661 + 0.000017676862 6.6148034300 + 0.000017870758 6.8868766285 + 0.000017960421 7.0209543596 + 0.000017960421 7.0209543596 + 0.000018028682 7.1272040245 + 0.000018045268 7.1536207380 + 0.000018200656 7.4144218019 + 0.000018324423 7.6435941326 + 0.000018337246 7.6687156453 + 0.000018356135 7.7062660283 + 0.000018455407 7.9159877705 + 0.000018455407 7.9159877705 + 0.000018517630 8.0607849105 + 0.000018555556 8.1557725621 + 0.000018569052 8.1910680689 + 0.000018582154 8.2261843141 + 0.000018599015 8.2727248911 + 0.000018599015 8.2727248912 + 0.000018638143 8.3876525231 + 0.000018791326 9.0824982896 + 0.000018804318 9.4534761503 + 0.000018789756 9.6297723555 + 0.000018768273 9.7638869591 + 0.000018748605 9.8524957818 + 0.000018669696 10.0935165797 + 0.000018303065 10.6277159321 + 0.000018004508 10.8523897058 + 0.000017719174 10.9922912820 + 0.000017549650 11.0522018433 + 0.000017526899 11.0591645528 + 0.000015267569 11.0272417474 + 0.000015267569 11.0272417474 + 0.000015267569 11.0272417474 + 0.000012723400 10.1049781152 + 0.000010303778 8.7433222976 + 0.000009767249 8.3932551384 + 0.000008211130 7.2965822417 + 0.000008060713 7.1847643802 + 0.000006519575 5.9767248123 + 0.000006519575 5.9767248123 + 0.000006401792 5.8815848096 + 0.000006286537 5.7876166574 + 0.000005222377 4.8859234223 + 0.000005048166 4.7318691493 + 0.000005048166 4.7318691493 + 0.000004802624 4.5108406007 + 0.000004266105 4.0077780375 + 0.000003937668 3.6807776487 + 0.000003937668 3.6807776487 + 0.000003831259 3.5703983323 + 0.000003831259 3.5703983323 + 0.000003595909 3.3150506252 + 0.000003240011 2.8402369281 + 0.000003241228 2.7620092051 + 0.000003241228 2.7620092051 + 0.000003241228 2.7620092051 + 0.000003674035 2.9202350842 + 0.000004574318 3.4418407517 + 0.000004574318 3.4418407517 diff --git a/mytest/CO2_Na2SO4.out b/mytest/CO2_Na2SO4.out index e2bdd8cc2..82da92d92 100644 --- a/mytest/CO2_Na2SO4.out +++ b/mytest/CO2_Na2SO4.out @@ -155,10 +155,10 @@ CO2(g) 1.63 0.12 -1.51 1.000e+01 0 -1.000e+01 pH = 3.410 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 91663 + Specific Conductance (µS/cm, 25°C) = 89438 Density (g/cm³) = 1.11834 Volume (L) = 1.05489 - Viscosity (mPa s) = 1.38434 + Viscosity (mPa s) = 1.42360 Activity of water = 0.945 Ionic strength (mol/kgw) = 2.999e+00 Mass of water (kg) = 9.997e-01 @@ -250,10 +250,10 @@ CO2(g) 1.71 0.04 -1.67 1.000e+01 2.510e+00 -7.490e+00 pH = 3.483 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 121524 + Specific Conductance (µS/cm, 40°C) = 120391 Density (g/cm³) = 1.11130 Volume (L) = 1.05632 - Viscosity (mPa s) = 1.00775 + Viscosity (mPa s) = 1.01856 Activity of water = 0.947 Ionic strength (mol/kgw) = 2.998e+00 Mass of water (kg) = 9.996e-01 @@ -345,10 +345,10 @@ CO2(g) 1.75 -0.05 -1.79 1.000e+01 4.537e+00 -5.463e+00 pH = 3.587 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 152555 + Specific Conductance (µS/cm, 55°C) = 152404 Density (g/cm³) = 1.10324 Volume (L) = 1.05884 - Viscosity (mPa s) = 0.77353 + Viscosity (mPa s) = 0.77440 Activity of water = 0.950 Ionic strength (mol/kgw) = 2.997e+00 Mass of water (kg) = 9.995e-01 @@ -440,10 +440,10 @@ CO2(g) 1.77 -0.12 -1.89 1.000e+01 5.362e+00 -4.638e+00 pH = 3.700 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 185463 + Specific Conductance (µS/cm, 70°C) = 186081 Density (g/cm³) = 1.09454 Volume (L) = 1.06352 - Viscosity (mPa s) = 0.61742 + Viscosity (mPa s) = 0.61507 Activity of water = 0.952 Ionic strength (mol/kgw) = 2.997e+00 Mass of water (kg) = 9.994e-01 @@ -535,10 +535,10 @@ CO2(g) 1.79 -0.17 -1.97 1.000e+01 5.875e+00 -4.125e+00 pH = 3.819 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 221325 + Specific Conductance (µS/cm, 85°C) = 222635 Density (g/cm³) = 1.08507 Volume (L) = 1.07012 - Viscosity (mPa s) = 0.50816 + Viscosity (mPa s) = 0.50475 Activity of water = 0.954 Ionic strength (mol/kgw) = 2.997e+00 Mass of water (kg) = 9.991e-01 @@ -630,10 +630,10 @@ CO2(g) 1.81 -0.22 -2.02 1.000e+01 6.235e+00 -3.765e+00 pH = 3.942 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 261788 + Specific Conductance (µS/cm, 100°C) = 263851 Density (g/cm³) = 1.07473 Volume (L) = 1.07838 - Viscosity (mPa s) = 0.42877 + Viscosity (mPa s) = 0.42497 Activity of water = 0.955 Ionic strength (mol/kgw) = 2.998e+00 Mass of water (kg) = 9.987e-01 @@ -725,10 +725,10 @@ CO2(g) 1.82 -0.25 -2.07 1.000e+01 6.505e+00 -3.495e+00 pH = 4.069 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 115°C) = 305918 + Specific Conductance (µS/cm, 115°C) = 308959 Density (g/cm³) = 1.05937 Volume (L) = 1.09238 - Viscosity (mPa s) = 0.36609 + Viscosity (mPa s) = 0.36203 Activity of water = 0.956 Ionic strength (mol/kgw) = 2.999e+00 Mass of water (kg) = 9.981e-01 @@ -820,10 +820,10 @@ CO2(g) 1.83 -0.26 -2.10 1.000e+01 6.713e+00 -3.287e+00 pH = 4.196 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 130°C) = 358824 + Specific Conductance (µS/cm, 130°C) = 363208 Density (g/cm³) = 1.04689 Volume (L) = 1.10398 - Viscosity (mPa s) = 0.32046 + Viscosity (mPa s) = 0.31614 Activity of water = 0.958 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 9.973e-01 @@ -915,10 +915,10 @@ CO2(g) 1.84 -0.27 -2.12 1.000e+01 6.877e+00 -3.123e+00 pH = 4.323 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 145°C) = 417088 + Specific Conductance (µS/cm, 145°C) = 423438 Density (g/cm³) = 1.03333 Volume (L) = 1.11711 - Viscosity (mPa s) = 0.28463 + Viscosity (mPa s) = 0.27990 Activity of water = 0.959 Ionic strength (mol/kgw) = 3.003e+00 Mass of water (kg) = 9.962e-01 @@ -1010,10 +1010,10 @@ CO2(g) 1.85 -0.28 -2.13 1.000e+01 7.008e+00 -2.992e+00 pH = 4.450 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 477726 + Specific Conductance (µS/cm, 160°C) = 487047 Density (g/cm³) = 1.01861 Volume (L) = 1.13183 - Viscosity (mPa s) = 0.25592 + Viscosity (mPa s) = 0.25054 Activity of water = 0.960 Ionic strength (mol/kgw) = 3.006e+00 Mass of water (kg) = 9.949e-01 @@ -1187,10 +1187,10 @@ CO2(g) 1.63 0.12 -1.51 1.000e+01 0 -1.000e+01 pH = 3.337 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 120469 + Specific Conductance (µS/cm, 25°C) = 119688 Density (g/cm³) = 1.21178 Volume (L) = 1.08035 - Viscosity (mPa s) = 2.21385 + Viscosity (mPa s) = 2.23030 Activity of water = 0.917 Ionic strength (mol/kgw) = 5.999e+00 Mass of water (kg) = 9.996e-01 @@ -1282,10 +1282,10 @@ CO2(g) 1.71 0.04 -1.67 1.000e+01 2.760e+00 -7.240e+00 pH = 3.423 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 165080 + Specific Conductance (µS/cm, 40°C) = 164913 Density (g/cm³) = 1.20481 Volume (L) = 1.08329 - Viscosity (mPa s) = 1.55798 + Viscosity (mPa s) = 1.55977 Activity of water = 0.918 Ionic strength (mol/kgw) = 5.998e+00 Mass of water (kg) = 9.996e-01 @@ -1377,10 +1377,10 @@ CO2(g) 1.75 -0.05 -1.79 1.000e+01 4.740e+00 -5.260e+00 pH = 3.536 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 213461 + Specific Conductance (µS/cm, 55°C) = 213877 Density (g/cm³) = 1.19761 Volume (L) = 1.08660 - Viscosity (mPa s) = 1.16525 + Viscosity (mPa s) = 1.16267 Activity of water = 0.919 Ionic strength (mol/kgw) = 5.997e+00 Mass of water (kg) = 9.995e-01 @@ -1472,10 +1472,10 @@ CO2(g) 1.77 -0.12 -1.89 1.000e+01 5.535e+00 -4.465e+00 pH = 3.654 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 266265 + Specific Conductance (µS/cm, 70°C) = 267185 Density (g/cm³) = 1.18977 Volume (L) = 1.09146 - Viscosity (mPa s) = 0.91113 + Viscosity (mPa s) = 0.90757 Activity of water = 0.921 Ionic strength (mol/kgw) = 5.997e+00 Mass of water (kg) = 9.993e-01 @@ -1567,10 +1567,10 @@ CO2(g) 1.79 -0.17 -1.97 1.000e+01 6.027e+00 -3.973e+00 pH = 3.776 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 324802 + Specific Conductance (µS/cm, 85°C) = 326215 Density (g/cm³) = 1.18097 Volume (L) = 1.09791 - Viscosity (mPa s) = 0.73743 + Viscosity (mPa s) = 0.73381 Activity of water = 0.923 Ionic strength (mol/kgw) = 5.998e+00 Mass of water (kg) = 9.991e-01 @@ -1662,10 +1662,10 @@ CO2(g) 1.81 -0.22 -2.02 1.000e+01 6.374e+00 -3.626e+00 pH = 3.899 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 390888 + Specific Conductance (µS/cm, 100°C) = 392859 Density (g/cm³) = 1.17100 Volume (L) = 1.10595 - Viscosity (mPa s) = 0.61348 + Viscosity (mPa s) = 0.61002 Activity of water = 0.925 Ionic strength (mol/kgw) = 5.999e+00 Mass of water (kg) = 9.987e-01 @@ -1757,10 +1757,10 @@ CO2(g) 1.82 -0.25 -2.07 1.000e+01 6.634e+00 -3.366e+00 pH = 4.025 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 115°C) = 462936 + Specific Conductance (µS/cm, 115°C) = 465646 Density (g/cm³) = 1.15583 Volume (L) = 1.11934 - Viscosity (mPa s) = 0.51760 + Viscosity (mPa s) = 0.51423 Activity of water = 0.927 Ionic strength (mol/kgw) = 6.002e+00 Mass of water (kg) = 9.981e-01 @@ -1852,10 +1852,10 @@ CO2(g) 1.83 -0.26 -2.10 1.000e+01 6.837e+00 -3.163e+00 pH = 4.149 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 130°C) = 545805 + Specific Conductance (µS/cm, 130°C) = 549446 Density (g/cm³) = 1.14280 Volume (L) = 1.13105 - Viscosity (mPa s) = 0.44804 + Viscosity (mPa s) = 0.44475 Activity of water = 0.929 Ionic strength (mol/kgw) = 6.005e+00 Mass of water (kg) = 9.973e-01 @@ -1947,10 +1947,10 @@ CO2(g) 1.84 -0.27 -2.12 1.000e+01 6.998e+00 -3.002e+00 pH = 4.274 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 145°C) = 633932 + Specific Conductance (µS/cm, 145°C) = 638815 Density (g/cm³) = 1.12801 Volume (L) = 1.14479 - Viscosity (mPa s) = 0.39369 + Viscosity (mPa s) = 0.39038 Activity of water = 0.931 Ionic strength (mol/kgw) = 6.011e+00 Mass of water (kg) = 9.963e-01 @@ -2042,10 +2042,10 @@ CO2(g) 1.85 -0.28 -2.13 1.000e+01 7.128e+00 -2.872e+00 pH = 4.398 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 722868 + Specific Conductance (µS/cm, 160°C) = 729428 Density (g/cm³) = 1.11127 Volume (L) = 1.16080 - Viscosity (mPa s) = 0.35013 + Viscosity (mPa s) = 0.34668 Activity of water = 0.933 Ionic strength (mol/kgw) = 6.018e+00 Mass of water (kg) = 9.949e-01 diff --git a/mytest/CO2_Na2SO4_101.sel b/mytest/CO2_Na2SO4_101.sel index c8bdd3447..6687910ba 100644 --- a/mytest/CO2_Na2SO4_101.sel +++ b/mytest/CO2_Na2SO4_101.sel @@ -1,23 +1,23 @@ Mu SC - 2.999999770292 93119.8087529638 - 2.998694532488 91663.2882093085 - 2.997941316568 121524.2865715225 - 2.997359461127 152555.2572770461 - 2.997157826323 185463.1883129384 - 2.997283259039 221325.0282725164 - 2.997808748329 261788.3408887659 - 2.998822573383 305918.7560206657 - 3.000484747824 358824.1017886086 - 3.002940069169 417088.7169675998 - 3.006379869496 477726.6242984263 - 5.999999711766 121656.8213089554 - 5.998778885487 120469.0236055732 - 5.997718411993 165080.1934396008 - 5.997042173468 213461.2086664752 - 5.997101623483 266265.6513538666 - 5.997796377158 324802.0127993478 - 5.999270237401 390888.9241315381 - 6.001706282464 462936.0970784739 - 6.005402799600 545805.4686074234 - 6.010651281101 633932.9521130845 - 6.017823784994 722868.0389424091 + 2.999999770292 93119.8042921302 + 2.998694532488 89438.5834116792 + 2.997941316568 120391.7745659635 + 2.997359461127 152404.9976596231 + 2.997157826323 186081.8170534195 + 2.997283259039 222635.8529712375 + 2.997808748329 263851.1256276813 + 2.998822573383 308959.6926270390 + 3.000484747824 363208.8185672139 + 3.002940069169 423438.7595182688 + 3.006379869496 487047.1728346138 + 5.999999711766 121656.8165071174 + 5.998778885487 119688.3776587732 + 5.997718411993 164913.3192227797 + 5.997042173468 213877.3993502866 + 5.997101623483 267185.3327947659 + 5.997796377158 326215.3330052549 + 5.999270237401 392859.2353443391 + 6.001706282464 465646.1829604780 + 6.005402799600 549446.0009953419 + 6.010651281101 638815.0063801054 + 6.017823784994 729428.6628331904 diff --git a/mytest/CO2_anal.out b/mytest/CO2_anal.out index ffa77fb0f..5d832d1a5 100644 --- a/mytest/CO2_anal.out +++ b/mytest/CO2_anal.out @@ -140,7 +140,7 @@ CO2(g) -1.00 -2.19 -1.19 1.000e+01 9.994e+00 -6.467e-03 Specific Conductance (µS/cm, 5°C) = 12 Density (g/cm³) = 1.00003 Volume (L) = 1.00025 - Viscosity (mPa s) = 1.51823 + Viscosity (mPa s) = 1.51963 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.455e-05 Mass of water (kg) = 1.000e+00 @@ -212,7 +212,7 @@ CO2(g) -1.00 -2.49 -1.49 1.000e+01 9.997e+00 -3.294e-03 Specific Conductance (µS/cm, 27°C) = 15 Density (g/cm³) = 0.99663 Volume (L) = 1.00352 - Viscosity (mPa s) = 0.85726 + Viscosity (mPa s) = 0.85752 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.870e-05 Mass of water (kg) = 1.000e+00 @@ -284,7 +284,7 @@ CO2(g) -1.00 -2.70 -1.70 1.000e+01 9.998e+00 -2.039e-03 Specific Conductance (µS/cm, 48°C) = 16 Density (g/cm³) = 0.98879 Volume (L) = 1.01143 - Viscosity (mPa s) = 0.56218 + Viscosity (mPa s) = 0.56228 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.243e-05 Mass of water (kg) = 1.000e+00 @@ -356,7 +356,7 @@ CO2(g) -1.00 -2.85 -1.85 1.000e+01 9.999e+00 -1.451e-03 Specific Conductance (µS/cm, 70°C) = 16 Density (g/cm³) = 0.97777 Volume (L) = 1.02280 - Viscosity (mPa s) = 0.40356 + Viscosity (mPa s) = 0.40361 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.664e-05 Mass of water (kg) = 1.000e+00 @@ -428,7 +428,7 @@ CO2(g) -1.00 -2.95 -1.95 1.000e+01 9.999e+00 -1.145e-03 Specific Conductance (µS/cm, 92°C) = 15 Density (g/cm³) = 0.96419 Volume (L) = 1.03720 - Viscosity (mPa s) = 0.30830 + Viscosity (mPa s) = 0.30834 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.165e-05 Mass of water (kg) = 1.000e+00 @@ -500,7 +500,7 @@ CO2(g) -1.00 -3.02 -2.02 1.000e+01 9.999e+00 -9.777e-04 Specific Conductance (µS/cm, 113°C) = 13 Density (g/cm³) = 0.94839 Volume (L) = 1.05447 - Viscosity (mPa s) = 0.24666 + Viscosity (mPa s) = 0.24669 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.750e-05 Mass of water (kg) = 1.000e+00 @@ -573,7 +573,7 @@ CO2(g) -1.00 -3.06 -2.06 1.000e+01 9.999e+00 -8.874e-04 Specific Conductance (µS/cm, 135°C) = 11 Density (g/cm³) = 0.93054 Volume (L) = 1.07468 - Viscosity (mPa s) = 0.20449 + Viscosity (mPa s) = 0.20451 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.411e-05 Mass of water (kg) = 1.000e+00 @@ -646,7 +646,7 @@ CO2(g) -1.00 -3.08 -2.08 1.000e+01 9.999e+00 -8.461e-04 Specific Conductance (µS/cm, 157°C) = 9 Density (g/cm³) = 0.91069 Volume (L) = 1.09811 - Viscosity (mPa s) = 0.17431 + Viscosity (mPa s) = 0.17433 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.139e-05 Mass of water (kg) = 1.000e+00 @@ -719,7 +719,7 @@ CO2(g) -1.00 -3.08 -2.08 1.000e+01 9.999e+00 -8.399e-04 Specific Conductance (µS/cm, 178°C) = 8 Density (g/cm³) = 0.88878 Volume (L) = 1.12518 - Viscosity (mPa s) = 0.15186 + Viscosity (mPa s) = 0.15187 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.235e-06 Mass of water (kg) = 1.000e+00 @@ -792,7 +792,7 @@ CO2(g) -1.00 -3.07 -2.07 1.000e+01 9.999e+00 -8.614e-04 Specific Conductance (µS/cm, 200°C) = 6 Density (g/cm³) = 0.86467 Volume (L) = 1.15656 - Viscosity (mPa s) = 0.13465 + Viscosity (mPa s) = 0.13468 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.546e-06 Mass of water (kg) = 1.000e+00 @@ -894,7 +894,7 @@ CO2(g) -1.00 -2.19 -1.19 1.000e+01 9.994e+00 -6.467e-03 Specific Conductance (µS/cm, 5°C) = 12 Density (g/cm³) = 1.00003 Volume (L) = 1.00025 - Viscosity (mPa s) = 1.51823 + Viscosity (mPa s) = 1.51963 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.455e-05 Mass of water (kg) = 1.000e+00 @@ -966,7 +966,7 @@ CO2(g) -1.00 -2.49 -1.49 1.000e+01 9.997e+00 -3.294e-03 Specific Conductance (µS/cm, 27°C) = 15 Density (g/cm³) = 0.99663 Volume (L) = 1.00352 - Viscosity (mPa s) = 0.85726 + Viscosity (mPa s) = 0.85752 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.870e-05 Mass of water (kg) = 1.000e+00 @@ -1038,7 +1038,7 @@ CO2(g) -1.00 -2.70 -1.70 1.000e+01 9.998e+00 -2.039e-03 Specific Conductance (µS/cm, 48°C) = 16 Density (g/cm³) = 0.98879 Volume (L) = 1.01143 - Viscosity (mPa s) = 0.56218 + Viscosity (mPa s) = 0.56228 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.243e-05 Mass of water (kg) = 1.000e+00 @@ -1110,7 +1110,7 @@ CO2(g) -1.00 -2.85 -1.85 1.000e+01 9.999e+00 -1.451e-03 Specific Conductance (µS/cm, 70°C) = 16 Density (g/cm³) = 0.97777 Volume (L) = 1.02280 - Viscosity (mPa s) = 0.40356 + Viscosity (mPa s) = 0.40361 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.664e-05 Mass of water (kg) = 1.000e+00 @@ -1182,7 +1182,7 @@ CO2(g) -1.00 -2.95 -1.95 1.000e+01 9.999e+00 -1.145e-03 Specific Conductance (µS/cm, 92°C) = 15 Density (g/cm³) = 0.96419 Volume (L) = 1.03720 - Viscosity (mPa s) = 0.30830 + Viscosity (mPa s) = 0.30834 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.165e-05 Mass of water (kg) = 1.000e+00 @@ -1254,7 +1254,7 @@ CO2(g) -1.00 -3.02 -2.02 1.000e+01 9.999e+00 -9.777e-04 Specific Conductance (µS/cm, 113°C) = 13 Density (g/cm³) = 0.94839 Volume (L) = 1.05447 - Viscosity (mPa s) = 0.24666 + Viscosity (mPa s) = 0.24669 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.750e-05 Mass of water (kg) = 1.000e+00 @@ -1327,7 +1327,7 @@ CO2(g) -1.00 -3.06 -2.06 1.000e+01 9.999e+00 -8.874e-04 Specific Conductance (µS/cm, 135°C) = 11 Density (g/cm³) = 0.93054 Volume (L) = 1.07468 - Viscosity (mPa s) = 0.20449 + Viscosity (mPa s) = 0.20451 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.411e-05 Mass of water (kg) = 1.000e+00 @@ -1400,7 +1400,7 @@ CO2(g) -1.00 -3.08 -2.08 1.000e+01 9.999e+00 -8.461e-04 Specific Conductance (µS/cm, 157°C) = 9 Density (g/cm³) = 0.91069 Volume (L) = 1.09811 - Viscosity (mPa s) = 0.17431 + Viscosity (mPa s) = 0.17433 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.139e-05 Mass of water (kg) = 1.000e+00 @@ -1473,7 +1473,7 @@ CO2(g) -1.00 -3.08 -2.08 1.000e+01 9.999e+00 -8.399e-04 Specific Conductance (µS/cm, 178°C) = 8 Density (g/cm³) = 0.88878 Volume (L) = 1.12518 - Viscosity (mPa s) = 0.15186 + Viscosity (mPa s) = 0.15187 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.235e-06 Mass of water (kg) = 1.000e+00 @@ -1546,7 +1546,7 @@ CO2(g) -1.00 -3.07 -2.07 1.000e+01 9.999e+00 -8.614e-04 Specific Conductance (µS/cm, 200°C) = 6 Density (g/cm³) = 0.86467 Volume (L) = 1.15656 - Viscosity (mPa s) = 0.13465 + Viscosity (mPa s) = 0.13468 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.546e-06 Mass of water (kg) = 1.000e+00 diff --git a/mytest/CO2_anal_101.sel b/mytest/CO2_anal_101.sel index 26f5fcf72..3445c14c8 100644 --- a/mytest/CO2_anal_101.sel +++ b/mytest/CO2_anal_101.sel @@ -1,22 +1,22 @@ Mu SC 0.000000100661 0.0546997340 - 0.000044554556 12.2505256606 - 0.000038702119 15.4740961666 - 0.000032428621 16.6009588941 - 0.000026639075 16.2528785890 - 0.000021648240 15.0172865939 - 0.000017496357 13.3393174348 - 0.000014111938 11.5262091496 - 0.000011391899 9.7765700930 - 0.000009234771 8.2071914794 - 0.000007545658 6.8591819399 - 0.000044554556 12.2505256606 - 0.000038702119 15.4740961666 - 0.000032428621 16.6009588941 - 0.000026639075 16.2528785890 - 0.000021648240 15.0172865939 - 0.000017496357 13.3393174348 - 0.000014111938 11.5262091496 - 0.000011391899 9.7765700930 - 0.000009234771 8.2071914794 - 0.000007545658 6.8591819399 + 0.000044554556 12.2260178591 + 0.000038702119 15.4640721348 + 0.000032428621 16.5952197272 + 0.000026639075 16.2485135875 + 0.000021648240 15.0135692426 + 0.000017496357 13.3361173071 + 0.000014111938 11.5235480340 + 0.000011391899 9.7745236683 + 0.000009234771 8.2060612691 + 0.000007545658 6.8566130410 + 0.000044554556 12.2260178591 + 0.000038702119 15.4640721348 + 0.000032428621 16.5952197272 + 0.000026639075 16.2485135875 + 0.000021648240 15.0135692426 + 0.000017496357 13.3361173071 + 0.000014111938 11.5235480340 + 0.000011391899 9.7745236683 + 0.000009234771 8.2060612691 + 0.000007545658 6.8566130410 diff --git a/mytest/CO2_conc_PR_EQ.out b/mytest/CO2_conc_PR_EQ.out index 17b06f05f..61621a476 100644 --- a/mytest/CO2_conc_PR_EQ.out +++ b/mytest/CO2_conc_PR_EQ.out @@ -210,7 +210,7 @@ CO2(g) 0.04 -1.43 -1.47 1.000e+01 9.963e+00 -3.738e-02 Specific Conductance (µS/cm, 25°C) = 50 Density (g/cm³) = 0.99741 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.89286 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.303e-04 Mass of water (kg) = 1.000e+00 @@ -353,10 +353,10 @@ CO2(g) 1.27 -0.21 -1.48 1.000e+01 9.367e+00 -6.332e-01 pH = 3.277 Charge balance pe = 2.208 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 201 + Specific Conductance (µS/cm, 25°C) = 182 Density (g/cm³) = 1.00394 Volume (L) = 1.02384 - Viscosity (mPa s) = 0.88999 + Viscosity (mPa s) = 0.93405 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.416e-04 Mass of water (kg) = 1.000e+00 @@ -499,10 +499,10 @@ CO2(g) 1.51 0.02 -1.49 1.000e+01 8.925e+00 -1.075e+00 pH = 3.162 Charge balance pe = 2.446 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 256 + Specific Conductance (µS/cm, 25°C) = 217 Density (g/cm³) = 1.00885 Volume (L) = 1.03814 - Viscosity (mPa s) = 0.88980 + Viscosity (mPa s) = 0.96395 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.084e-04 Mass of water (kg) = 1.000e+00 @@ -645,10 +645,10 @@ CO2(g) 1.62 0.11 -1.50 1.000e+01 8.638e+00 -1.362e+00 pH = 3.109 Charge balance pe = 14.718 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 285 + Specific Conductance (µS/cm, 25°C) = 232 Density (g/cm³) = 1.01227 Volume (L) = 1.04710 - Viscosity (mPa s) = 0.88958 + Viscosity (mPa s) = 0.98312 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.022e-04 Mass of water (kg) = 1.000e+00 @@ -791,10 +791,10 @@ CO2(g) 1.65 0.13 -1.52 1.000e+01 8.583e+00 -1.417e+00 pH = 3.096 Charge balance pe = 2.353 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 293 + Specific Conductance (µS/cm, 25°C) = 236 Density (g/cm³) = 1.01363 Volume (L) = 1.04807 - Viscosity (mPa s) = 0.88935 + Viscosity (mPa s) = 0.98657 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.265e-04 Mass of water (kg) = 1.000e+00 @@ -937,10 +937,10 @@ CO2(g) 1.67 0.14 -1.53 1.000e+01 8.554e+00 -1.446e+00 pH = 3.087 Charge balance pe = 2.451 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 300 + Specific Conductance (µS/cm, 25°C) = 240 Density (g/cm³) = 1.01476 Volume (L) = 1.04816 - Viscosity (mPa s) = 0.88914 + Viscosity (mPa s) = 0.98831 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.438e-04 Mass of water (kg) = 1.000e+00 @@ -1083,10 +1083,10 @@ CO2(g) 1.69 0.15 -1.54 1.000e+01 8.529e+00 -1.471e+00 pH = 3.079 Charge balance pe = 2.345 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 305 + Specific Conductance (µS/cm, 25°C) = 244 Density (g/cm³) = 1.01585 Volume (L) = 1.04812 - Viscosity (mPa s) = 0.88893 + Viscosity (mPa s) = 0.98981 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.602e-04 Mass of water (kg) = 1.000e+00 @@ -1229,10 +1229,10 @@ CO2(g) 1.71 0.15 -1.55 1.000e+01 8.506e+00 -1.494e+00 pH = 3.071 Charge balance pe = 2.691 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 311 + Specific Conductance (µS/cm, 25°C) = 248 Density (g/cm³) = 1.01691 Volume (L) = 1.04801 - Viscosity (mPa s) = 0.88874 + Viscosity (mPa s) = 0.99116 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.761e-04 Mass of water (kg) = 1.000e+00 @@ -1375,10 +1375,10 @@ CO2(g) 1.72 0.16 -1.57 1.000e+01 8.485e+00 -1.515e+00 pH = 3.064 Charge balance pe = 2.859 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 317 + Specific Conductance (µS/cm, 25°C) = 252 Density (g/cm³) = 1.01796 Volume (L) = 1.04783 - Viscosity (mPa s) = 0.88856 + Viscosity (mPa s) = 0.99241 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.916e-04 Mass of water (kg) = 1.000e+00 @@ -1521,10 +1521,10 @@ CO2(g) 1.74 0.16 -1.58 1.000e+01 8.466e+00 -1.534e+00 pH = 3.056 Charge balance pe = 3.004 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 323 + Specific Conductance (µS/cm, 25°C) = 255 Density (g/cm³) = 1.01899 Volume (L) = 1.04761 - Viscosity (mPa s) = 0.88840 + Viscosity (mPa s) = 0.99356 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.069e-04 Mass of water (kg) = 1.000e+00 @@ -1667,10 +1667,10 @@ CO2(g) 1.76 0.17 -1.59 1.000e+01 8.448e+00 -1.552e+00 pH = 3.049 Charge balance pe = 2.856 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 328 + Specific Conductance (µS/cm, 25°C) = 259 Density (g/cm³) = 1.02001 Volume (L) = 1.04735 - Viscosity (mPa s) = 0.88825 + Viscosity (mPa s) = 0.99466 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.219e-04 Mass of water (kg) = 1.000e+00 @@ -1813,10 +1813,10 @@ CO2(g) 1.77 0.17 -1.60 1.000e+01 8.431e+00 -1.569e+00 pH = 3.043 Charge balance pe = 14.810 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 334 + Specific Conductance (µS/cm, 25°C) = 263 Density (g/cm³) = 1.02102 Volume (L) = 1.04706 - Viscosity (mPa s) = 0.88811 + Viscosity (mPa s) = 0.99570 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.367e-04 Mass of water (kg) = 1.000e+00 @@ -1959,10 +1959,10 @@ CO2(g) 1.79 0.18 -1.61 1.000e+01 8.414e+00 -1.586e+00 pH = 3.036 Charge balance pe = 14.473 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 339 + Specific Conductance (µS/cm, 25°C) = 267 Density (g/cm³) = 1.02201 Volume (L) = 1.04675 - Viscosity (mPa s) = 0.88799 + Viscosity (mPa s) = 0.99669 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.514e-04 Mass of water (kg) = 1.000e+00 @@ -2105,10 +2105,10 @@ CO2(g) 1.81 0.18 -1.63 1.000e+01 8.399e+00 -1.601e+00 pH = 3.029 Charge balance pe = 14.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 344 + Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 1.02300 Volume (L) = 1.04640 - Viscosity (mPa s) = 0.88788 + Viscosity (mPa s) = 0.99764 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.660e-04 Mass of water (kg) = 1.000e+00 @@ -2251,10 +2251,10 @@ CO2(g) 1.82 0.18 -1.64 1.000e+01 8.384e+00 -1.616e+00 pH = 3.023 Charge balance pe = 2.517 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 350 + Specific Conductance (µS/cm, 25°C) = 274 Density (g/cm³) = 1.02397 Volume (L) = 1.04604 - Viscosity (mPa s) = 0.88778 + Viscosity (mPa s) = 0.99857 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.805e-04 Mass of water (kg) = 1.000e+00 @@ -2397,10 +2397,10 @@ CO2(g) 1.84 0.19 -1.65 1.000e+01 8.370e+00 -1.630e+00 pH = 3.017 Charge balance pe = 2.810 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 355 + Specific Conductance (µS/cm, 25°C) = 278 Density (g/cm³) = 1.02494 Volume (L) = 1.04566 - Viscosity (mPa s) = 0.88770 + Viscosity (mPa s) = 0.99945 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.949e-04 Mass of water (kg) = 1.000e+00 @@ -2543,10 +2543,10 @@ CO2(g) 1.85 0.19 -1.66 1.000e+01 8.357e+00 -1.643e+00 pH = 3.011 Charge balance pe = 2.658 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 361 + Specific Conductance (µS/cm, 25°C) = 281 Density (g/cm³) = 1.02589 Volume (L) = 1.04526 - Viscosity (mPa s) = 0.88763 + Viscosity (mPa s) = 1.00031 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.009e-03 Mass of water (kg) = 1.000e+00 @@ -2689,10 +2689,10 @@ CO2(g) 1.87 0.19 -1.68 1.000e+01 8.344e+00 -1.656e+00 pH = 3.005 Charge balance pe = 14.664 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 366 + Specific Conductance (µS/cm, 25°C) = 285 Density (g/cm³) = 1.02684 Volume (L) = 1.04486 - Viscosity (mPa s) = 0.88757 + Viscosity (mPa s) = 1.00117 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.024e-03 Mass of water (kg) = 1.000e+00 @@ -2835,10 +2835,10 @@ CO2(g) 1.88 0.20 -1.69 1.000e+01 8.331e+00 -1.669e+00 pH = 2.999 Charge balance pe = 2.448 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 372 + Specific Conductance (µS/cm, 25°C) = 289 Density (g/cm³) = 1.02778 Volume (L) = 1.04443 - Viscosity (mPa s) = 0.88753 + Viscosity (mPa s) = 1.00199 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.038e-03 Mass of water (kg) = 1.000e+00 @@ -2981,10 +2981,10 @@ CO2(g) 1.90 0.20 -1.70 1.000e+01 8.319e+00 -1.681e+00 pH = 2.993 Charge balance pe = 2.562 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 377 + Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 1.02871 Volume (L) = 1.04399 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00279 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.052e-03 Mass of water (kg) = 1.000e+00 @@ -3127,10 +3127,10 @@ CO2(g) 1.91 0.20 -1.71 1.000e+01 8.308e+00 -1.692e+00 pH = 2.987 Charge balance pe = 2.498 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 382 + Specific Conductance (µS/cm, 25°C) = 296 Density (g/cm³) = 1.02964 Volume (L) = 1.04355 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00360 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.066e-03 Mass of water (kg) = 1.000e+00 @@ -3273,10 +3273,10 @@ CO2(g) 1.93 0.21 -1.72 1.000e+01 8.297e+00 -1.703e+00 pH = 2.981 Charge balance pe = 2.485 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 388 + Specific Conductance (µS/cm, 25°C) = 300 Density (g/cm³) = 1.03056 Volume (L) = 1.04309 - Viscosity (mPa s) = 0.88748 + Viscosity (mPa s) = 1.00438 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.081e-03 Mass of water (kg) = 1.000e+00 @@ -3419,10 +3419,10 @@ CO2(g) 1.94 0.21 -1.74 1.000e+01 8.286e+00 -1.714e+00 pH = 2.976 Charge balance pe = 2.451 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 393 + Specific Conductance (µS/cm, 25°C) = 304 Density (g/cm³) = 1.03146 Volume (L) = 1.04262 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00514 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.095e-03 Mass of water (kg) = 1.000e+00 @@ -3565,10 +3565,10 @@ CO2(g) 1.96 0.21 -1.75 1.000e+01 8.276e+00 -1.724e+00 pH = 2.970 Charge balance pe = 2.846 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 399 + Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 1.03237 Volume (L) = 1.04215 - Viscosity (mPa s) = 0.88752 + Viscosity (mPa s) = 1.00591 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.109e-03 Mass of water (kg) = 1.000e+00 @@ -3711,10 +3711,10 @@ CO2(g) 1.97 0.21 -1.76 1.000e+01 8.266e+00 -1.734e+00 pH = 2.965 Charge balance pe = 2.872 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 404 + Specific Conductance (µS/cm, 25°C) = 311 Density (g/cm³) = 1.03327 Volume (L) = 1.04167 - Viscosity (mPa s) = 0.88756 + Viscosity (mPa s) = 1.00666 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.123e-03 Mass of water (kg) = 1.000e+00 @@ -3857,10 +3857,10 @@ CO2(g) 1.99 0.22 -1.77 1.000e+01 8.256e+00 -1.744e+00 pH = 2.959 Charge balance pe = 2.455 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 410 + Specific Conductance (µS/cm, 25°C) = 315 Density (g/cm³) = 1.03416 Volume (L) = 1.04118 - Viscosity (mPa s) = 0.88761 + Viscosity (mPa s) = 1.00741 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.137e-03 Mass of water (kg) = 1.000e+00 @@ -4093,10 +4093,10 @@ CO2(g) 0.04 -1.67 -1.71 1.000e+01 9.979e+00 -2.144e-02 pH = 3.980 Charge balance pe = 1.364 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 55 + Specific Conductance (µS/cm, 50°C) = 54 Density (g/cm³) = 0.98822 Volume (L) = 1.01287 - Viscosity (mPa s) = 0.54656 + Viscosity (mPa s) = 0.54719 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.063e-04 Mass of water (kg) = 1.000e+00 @@ -4239,10 +4239,10 @@ CO2(g) 1.28 -0.44 -1.72 1.000e+01 9.625e+00 -3.747e-01 pH = 3.359 Charge balance pe = 2.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 226 + Specific Conductance (µS/cm, 50°C) = 218 Density (g/cm³) = 0.99212 Volume (L) = 1.02456 - Viscosity (mPa s) = 0.54707 + Viscosity (mPa s) = 0.55590 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.486e-04 Mass of water (kg) = 1.000e+00 @@ -4385,10 +4385,10 @@ CO2(g) 1.53 -0.20 -1.73 1.000e+01 9.339e+00 -6.607e-01 pH = 3.236 Charge balance pe = 2.224 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 294 + Specific Conductance (µS/cm, 50°C) = 278 Density (g/cm³) = 0.99538 Volume (L) = 1.03385 - Viscosity (mPa s) = 0.54752 + Viscosity (mPa s) = 0.56273 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.971e-04 Mass of water (kg) = 1.000e+00 @@ -4531,10 +4531,10 @@ CO2(g) 1.66 -0.08 -1.75 1.000e+01 9.119e+00 -8.808e-01 pH = 3.173 Charge balance pe = 2.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 336 + Specific Conductance (µS/cm, 50°C) = 313 Density (g/cm³) = 0.99806 Volume (L) = 1.04078 - Viscosity (mPa s) = 0.54795 + Viscosity (mPa s) = 0.56801 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.919e-04 Mass of water (kg) = 1.000e+00 @@ -4677,10 +4677,10 @@ CO2(g) 1.74 -0.01 -1.76 1.000e+01 8.963e+00 -1.037e+00 pH = 3.136 Charge balance pe = 2.398 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 363 + Specific Conductance (µS/cm, 50°C) = 334 Density (g/cm³) = 1.00019 Volume (L) = 1.04545 - Viscosity (mPa s) = 0.54838 + Viscosity (mPa s) = 0.57186 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.550e-04 Mass of water (kg) = 1.000e+00 @@ -4823,10 +4823,10 @@ CO2(g) 1.79 0.02 -1.77 1.000e+01 8.867e+00 -1.133e+00 pH = 3.114 Charge balance pe = 2.417 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 380 + Specific Conductance (µS/cm, 50°C) = 347 Density (g/cm³) = 1.00182 Volume (L) = 1.04795 - Viscosity (mPa s) = 0.54880 + Viscosity (mPa s) = 0.57438 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.949e-04 Mass of water (kg) = 1.000e+00 @@ -4969,10 +4969,10 @@ CO2(g) 1.82 0.04 -1.78 1.000e+01 8.814e+00 -1.186e+00 pH = 3.100 Charge balance pe = 12.717 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 391 + Specific Conductance (µS/cm, 50°C) = 355 Density (g/cm³) = 1.00310 Volume (L) = 1.04895 - Viscosity (mPa s) = 0.54923 + Viscosity (mPa s) = 0.57599 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.204e-04 Mass of water (kg) = 1.000e+00 @@ -5115,10 +5115,10 @@ CO2(g) 1.84 0.05 -1.79 1.000e+01 8.776e+00 -1.224e+00 pH = 3.090 Charge balance pe = 2.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 401 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00425 Volume (L) = 1.04940 - Viscosity (mPa s) = 0.54965 + Viscosity (mPa s) = 0.57727 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.409e-04 Mass of water (kg) = 1.000e+00 @@ -5261,10 +5261,10 @@ CO2(g) 1.87 0.06 -1.80 1.000e+01 8.745e+00 -1.255e+00 pH = 3.080 Charge balance pe = 2.313 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 409 + Specific Conductance (µS/cm, 50°C) = 369 Density (g/cm³) = 1.00534 Volume (L) = 1.04962 - Viscosity (mPa s) = 0.55007 + Viscosity (mPa s) = 0.57841 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.595e-04 Mass of water (kg) = 1.000e+00 @@ -5407,10 +5407,10 @@ CO2(g) 1.89 0.07 -1.82 1.000e+01 8.718e+00 -1.282e+00 pH = 3.072 Charge balance pe = 2.409 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 417 + Specific Conductance (µS/cm, 50°C) = 376 Density (g/cm³) = 1.00641 Volume (L) = 1.04970 - Viscosity (mPa s) = 0.55050 + Viscosity (mPa s) = 0.57947 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.768e-04 Mass of water (kg) = 1.000e+00 @@ -5553,10 +5553,10 @@ CO2(g) 1.91 0.08 -1.83 1.000e+01 8.693e+00 -1.307e+00 pH = 3.064 Charge balance pe = 2.657 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 424 + Specific Conductance (µS/cm, 50°C) = 382 Density (g/cm³) = 1.00744 Volume (L) = 1.04969 - Viscosity (mPa s) = 0.55093 + Viscosity (mPa s) = 0.58047 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.934e-04 Mass of water (kg) = 1.000e+00 @@ -5699,10 +5699,10 @@ CO2(g) 1.92 0.09 -1.84 1.000e+01 8.671e+00 -1.329e+00 pH = 3.056 Charge balance pe = 2.731 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 432 + Specific Conductance (µS/cm, 50°C) = 388 Density (g/cm³) = 1.00846 Volume (L) = 1.04962 - Viscosity (mPa s) = 0.55136 + Viscosity (mPa s) = 0.58144 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.094e-04 Mass of water (kg) = 1.000e+00 @@ -5845,10 +5845,10 @@ CO2(g) 1.94 0.09 -1.85 1.000e+01 8.650e+00 -1.350e+00 pH = 3.049 Charge balance pe = 2.582 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 439 + Specific Conductance (µS/cm, 50°C) = 393 Density (g/cm³) = 1.00946 Volume (L) = 1.04949 - Viscosity (mPa s) = 0.55180 + Viscosity (mPa s) = 0.58237 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.250e-04 Mass of water (kg) = 1.000e+00 @@ -5991,10 +5991,10 @@ CO2(g) 1.96 0.10 -1.86 1.000e+01 8.631e+00 -1.369e+00 pH = 3.042 Charge balance pe = 2.238 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 446 + Specific Conductance (µS/cm, 50°C) = 399 Density (g/cm³) = 1.01044 Volume (L) = 1.04931 - Viscosity (mPa s) = 0.55224 + Viscosity (mPa s) = 0.58328 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.403e-04 Mass of water (kg) = 1.000e+00 @@ -6137,10 +6137,10 @@ CO2(g) 1.98 0.10 -1.87 1.000e+01 8.612e+00 -1.388e+00 pH = 3.035 Charge balance pe = 2.465 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 453 + Specific Conductance (µS/cm, 50°C) = 405 Density (g/cm³) = 1.01142 Volume (L) = 1.04911 - Viscosity (mPa s) = 0.55268 + Viscosity (mPa s) = 0.58417 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.553e-04 Mass of water (kg) = 1.000e+00 @@ -6283,10 +6283,10 @@ CO2(g) 1.99 0.11 -1.88 1.000e+01 8.595e+00 -1.405e+00 pH = 3.028 Charge balance pe = 2.684 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 460 + Specific Conductance (µS/cm, 50°C) = 410 Density (g/cm³) = 1.01238 Volume (L) = 1.04886 - Viscosity (mPa s) = 0.55313 + Viscosity (mPa s) = 0.58504 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.700e-04 Mass of water (kg) = 1.000e+00 @@ -6429,10 +6429,10 @@ CO2(g) 2.01 0.11 -1.90 1.000e+01 8.578e+00 -1.422e+00 pH = 3.022 Charge balance pe = 2.501 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 466 + Specific Conductance (µS/cm, 50°C) = 416 Density (g/cm³) = 1.01333 Volume (L) = 1.04859 - Viscosity (mPa s) = 0.55357 + Viscosity (mPa s) = 0.58589 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.846e-04 Mass of water (kg) = 1.000e+00 @@ -6575,10 +6575,10 @@ CO2(g) 2.02 0.12 -1.91 1.000e+01 8.562e+00 -1.438e+00 pH = 3.016 Charge balance pe = 2.351 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 473 + Specific Conductance (µS/cm, 50°C) = 421 Density (g/cm³) = 1.01428 Volume (L) = 1.04830 - Viscosity (mPa s) = 0.55403 + Viscosity (mPa s) = 0.58674 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.991e-04 Mass of water (kg) = 1.000e+00 @@ -6721,10 +6721,10 @@ CO2(g) 2.04 0.12 -1.92 1.000e+01 8.547e+00 -1.453e+00 pH = 3.010 Charge balance pe = 2.496 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 480 + Specific Conductance (µS/cm, 50°C) = 426 Density (g/cm³) = 1.01521 Volume (L) = 1.04799 - Viscosity (mPa s) = 0.55448 + Viscosity (mPa s) = 0.58757 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.013e-03 Mass of water (kg) = 1.000e+00 @@ -6867,10 +6867,10 @@ CO2(g) 2.06 0.12 -1.93 1.000e+01 8.533e+00 -1.467e+00 pH = 3.004 Charge balance pe = 2.959 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 486 + Specific Conductance (µS/cm, 50°C) = 432 Density (g/cm³) = 1.01613 Volume (L) = 1.04766 - Viscosity (mPa s) = 0.55494 + Viscosity (mPa s) = 0.58839 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.027e-03 Mass of water (kg) = 1.000e+00 @@ -7013,10 +7013,10 @@ CO2(g) 2.07 0.13 -1.94 1.000e+01 8.519e+00 -1.481e+00 pH = 2.998 Charge balance pe = 2.726 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 493 + Specific Conductance (µS/cm, 50°C) = 437 Density (g/cm³) = 1.01705 Volume (L) = 1.04732 - Viscosity (mPa s) = 0.55539 + Viscosity (mPa s) = 0.58921 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.042e-03 Mass of water (kg) = 1.000e+00 @@ -7159,10 +7159,10 @@ CO2(g) 2.09 0.13 -1.95 1.000e+01 8.506e+00 -1.494e+00 pH = 2.992 Charge balance pe = 2.297 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 499 + Specific Conductance (µS/cm, 50°C) = 442 Density (g/cm³) = 1.01796 Volume (L) = 1.04695 - Viscosity (mPa s) = 0.55586 + Viscosity (mPa s) = 0.59001 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.056e-03 Mass of water (kg) = 1.000e+00 @@ -7305,10 +7305,10 @@ CO2(g) 2.10 0.14 -1.96 1.000e+01 8.493e+00 -1.507e+00 pH = 2.987 Charge balance pe = 2.355 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 506 + Specific Conductance (µS/cm, 50°C) = 448 Density (g/cm³) = 1.01886 Volume (L) = 1.04657 - Viscosity (mPa s) = 0.55632 + Viscosity (mPa s) = 0.59080 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.069e-03 Mass of water (kg) = 1.000e+00 @@ -7451,10 +7451,10 @@ CO2(g) 2.11 0.14 -1.98 1.000e+01 8.481e+00 -1.519e+00 pH = 2.981 Charge balance pe = 2.471 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 512 + Specific Conductance (µS/cm, 50°C) = 453 Density (g/cm³) = 1.01976 Volume (L) = 1.04619 - Viscosity (mPa s) = 0.55679 + Viscosity (mPa s) = 0.59160 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.083e-03 Mass of water (kg) = 1.000e+00 @@ -7597,10 +7597,10 @@ CO2(g) 2.13 0.14 -1.99 1.000e+01 8.469e+00 -1.531e+00 pH = 2.976 Charge balance pe = 2.290 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 519 + Specific Conductance (µS/cm, 50°C) = 458 Density (g/cm³) = 1.02065 Volume (L) = 1.04579 - Viscosity (mPa s) = 0.55726 + Viscosity (mPa s) = 0.59238 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.097e-03 Mass of water (kg) = 1.000e+00 @@ -7743,10 +7743,10 @@ CO2(g) 2.14 0.14 -2.00 1.000e+01 8.457e+00 -1.543e+00 pH = 2.970 Charge balance pe = 2.365 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 525 + Specific Conductance (µS/cm, 50°C) = 463 Density (g/cm³) = 1.02153 Volume (L) = 1.04538 - Viscosity (mPa s) = 0.55774 + Viscosity (mPa s) = 0.59317 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.111e-03 Mass of water (kg) = 1.000e+00 @@ -7983,7 +7983,7 @@ CO2(g) 0.04 -1.83 -1.87 1.000e+01 9.985e+00 -1.478e-02 Specific Conductance (µS/cm, 75°C) = 52 Density (g/cm³) = 0.97496 Volume (L) = 1.02635 - Viscosity (mPa s) = 0.37745 + Viscosity (mPa s) = 0.37771 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.457e-05 Mass of water (kg) = 1.000e+00 @@ -8126,10 +8126,10 @@ CO2(g) 1.29 -0.59 -1.88 1.000e+01 9.735e+00 -2.646e-01 pH = 3.454 Charge balance pe = 10.880 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 221 + Specific Conductance (µS/cm, 75°C) = 218 Density (g/cm³) = 0.97777 Volume (L) = 1.03465 - Viscosity (mPa s) = 0.37806 + Viscosity (mPa s) = 0.38094 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.605e-04 Mass of water (kg) = 1.000e+00 @@ -8272,10 +8272,10 @@ CO2(g) 1.55 -0.34 -1.90 1.000e+01 9.520e+00 -4.796e-01 pH = 3.326 Charge balance pe = 2.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 293 + Specific Conductance (µS/cm, 75°C) = 286 Density (g/cm³) = 0.98028 Volume (L) = 1.04165 - Viscosity (mPa s) = 0.37863 + Viscosity (mPa s) = 0.38357 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.856e-04 Mass of water (kg) = 1.000e+00 @@ -8418,10 +8418,10 @@ CO2(g) 1.69 -0.21 -1.91 1.000e+01 9.340e+00 -6.596e-01 pH = 3.257 Charge balance pe = 2.212 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 340 + Specific Conductance (µS/cm, 75°C) = 329 Density (g/cm³) = 0.98251 Volume (L) = 1.04735 - Viscosity (mPa s) = 0.37918 + Viscosity (mPa s) = 0.38580 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.704e-04 Mass of water (kg) = 1.000e+00 @@ -8564,10 +8564,10 @@ CO2(g) 1.79 -0.13 -1.92 1.000e+01 9.194e+00 -8.057e-01 pH = 3.213 Charge balance pe = 2.678 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 373 + Specific Conductance (µS/cm, 75°C) = 358 Density (g/cm³) = 0.98447 Volume (L) = 1.05180 - Viscosity (mPa s) = 0.37973 + Viscosity (mPa s) = 0.38769 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.325e-04 Mass of water (kg) = 1.000e+00 @@ -8710,10 +8710,10 @@ CO2(g) 1.85 -0.08 -1.93 1.000e+01 9.079e+00 -9.206e-01 pH = 3.182 Charge balance pe = 2.539 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 398 + Specific Conductance (µS/cm, 75°C) = 380 Density (g/cm³) = 0.98619 Volume (L) = 1.05509 - Viscosity (mPa s) = 0.38028 + Viscosity (mPa s) = 0.38929 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.794e-04 Mass of water (kg) = 1.000e+00 @@ -8856,10 +8856,10 @@ CO2(g) 1.90 -0.04 -1.94 1.000e+01 8.992e+00 -1.008e+00 pH = 3.160 Charge balance pe = 11.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 416 + Specific Conductance (µS/cm, 75°C) = 396 Density (g/cm³) = 0.98771 Volume (L) = 1.05737 - Viscosity (mPa s) = 0.38082 + Viscosity (mPa s) = 0.39063 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.153e-04 Mass of water (kg) = 1.000e+00 @@ -9002,10 +9002,10 @@ CO2(g) 1.93 -0.02 -1.95 1.000e+01 8.925e+00 -1.075e+00 pH = 3.143 Charge balance pe = 2.518 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 431 + Specific Conductance (µS/cm, 75°C) = 409 Density (g/cm³) = 0.98907 Volume (L) = 1.05888 - Viscosity (mPa s) = 0.38136 + Viscosity (mPa s) = 0.39179 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.437e-04 Mass of water (kg) = 1.000e+00 @@ -9148,10 +9148,10 @@ CO2(g) 1.96 -0.00 -1.96 1.000e+01 8.873e+00 -1.127e+00 pH = 3.130 Charge balance pe = 2.266 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 443 + Specific Conductance (µS/cm, 75°C) = 419 Density (g/cm³) = 0.99032 Volume (L) = 1.05986 - Viscosity (mPa s) = 0.38189 + Viscosity (mPa s) = 0.39282 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.673e-04 Mass of water (kg) = 1.000e+00 @@ -9294,10 +9294,10 @@ CO2(g) 1.99 0.01 -1.97 1.000e+01 8.830e+00 -1.170e+00 pH = 3.119 Charge balance pe = 2.807 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 454 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99150 Volume (L) = 1.06051 - Viscosity (mPa s) = 0.38243 + Viscosity (mPa s) = 0.39377 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.881e-04 Mass of water (kg) = 1.000e+00 @@ -9440,10 +9440,10 @@ CO2(g) 2.01 0.03 -1.99 1.000e+01 8.793e+00 -1.207e+00 pH = 3.108 Charge balance pe = 11.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 464 + Specific Conductance (µS/cm, 75°C) = 437 Density (g/cm³) = 0.99263 Volume (L) = 1.06094 - Viscosity (mPa s) = 0.38296 + Viscosity (mPa s) = 0.39467 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.070e-04 Mass of water (kg) = 1.000e+00 @@ -9586,10 +9586,10 @@ CO2(g) 2.03 0.04 -2.00 1.000e+01 8.760e+00 -1.240e+00 pH = 3.099 Charge balance pe = 2.240 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 473 + Specific Conductance (µS/cm, 75°C) = 445 Density (g/cm³) = 0.99372 Volume (L) = 1.06122 - Viscosity (mPa s) = 0.38350 + Viscosity (mPa s) = 0.39553 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.246e-04 Mass of water (kg) = 1.000e+00 @@ -9732,10 +9732,10 @@ CO2(g) 2.05 0.05 -2.01 1.000e+01 8.731e+00 -1.269e+00 pH = 3.090 Charge balance pe = 2.314 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 482 + Specific Conductance (µS/cm, 75°C) = 453 Density (g/cm³) = 0.99479 Volume (L) = 1.06139 - Viscosity (mPa s) = 0.38403 + Viscosity (mPa s) = 0.39636 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.414e-04 Mass of water (kg) = 1.000e+00 @@ -9878,10 +9878,10 @@ CO2(g) 2.07 0.05 -2.02 1.000e+01 8.703e+00 -1.297e+00 pH = 3.082 Charge balance pe = 2.239 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 490 + Specific Conductance (µS/cm, 75°C) = 460 Density (g/cm³) = 0.99584 Volume (L) = 1.06148 - Viscosity (mPa s) = 0.38456 + Viscosity (mPa s) = 0.39717 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.575e-04 Mass of water (kg) = 1.000e+00 @@ -10024,10 +10024,10 @@ CO2(g) 2.09 0.06 -2.03 1.000e+01 8.678e+00 -1.322e+00 pH = 3.075 Charge balance pe = 2.582 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 498 + Specific Conductance (µS/cm, 75°C) = 467 Density (g/cm³) = 0.99687 Volume (L) = 1.06150 - Viscosity (mPa s) = 0.38510 + Viscosity (mPa s) = 0.39797 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.731e-04 Mass of water (kg) = 1.000e+00 @@ -10170,10 +10170,10 @@ CO2(g) 2.11 0.07 -2.04 1.000e+01 8.655e+00 -1.345e+00 pH = 3.067 Charge balance pe = 2.333 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 506 + Specific Conductance (µS/cm, 75°C) = 474 Density (g/cm³) = 0.99789 Volume (L) = 1.06145 - Viscosity (mPa s) = 0.38563 + Viscosity (mPa s) = 0.39875 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.882e-04 Mass of water (kg) = 1.000e+00 @@ -10316,10 +10316,10 @@ CO2(g) 2.13 0.07 -2.05 1.000e+01 8.632e+00 -1.368e+00 pH = 3.060 Charge balance pe = 2.878 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 514 + Specific Conductance (µS/cm, 75°C) = 481 Density (g/cm³) = 0.99889 Volume (L) = 1.06137 - Viscosity (mPa s) = 0.38617 + Viscosity (mPa s) = 0.39952 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.030e-04 Mass of water (kg) = 1.000e+00 @@ -10462,10 +10462,10 @@ CO2(g) 2.14 0.08 -2.06 1.000e+01 8.611e+00 -1.389e+00 pH = 3.053 Charge balance pe = 11.204 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 522 + Specific Conductance (µS/cm, 75°C) = 488 Density (g/cm³) = 0.99988 Volume (L) = 1.06125 - Viscosity (mPa s) = 0.38670 + Viscosity (mPa s) = 0.40028 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.176e-04 Mass of water (kg) = 1.000e+00 @@ -10608,10 +10608,10 @@ CO2(g) 2.16 0.09 -2.07 1.000e+01 8.591e+00 -1.409e+00 pH = 3.047 Charge balance pe = 2.391 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 529 + Specific Conductance (µS/cm, 75°C) = 494 Density (g/cm³) = 1.00085 Volume (L) = 1.06109 - Viscosity (mPa s) = 0.38723 + Viscosity (mPa s) = 0.40103 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.318e-04 Mass of water (kg) = 1.000e+00 @@ -10754,10 +10754,10 @@ CO2(g) 2.18 0.09 -2.08 1.000e+01 8.572e+00 -1.428e+00 pH = 3.040 Charge balance pe = 11.232 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 537 + Specific Conductance (µS/cm, 75°C) = 501 Density (g/cm³) = 1.00182 Volume (L) = 1.06090 - Viscosity (mPa s) = 0.38777 + Viscosity (mPa s) = 0.40177 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.458e-04 Mass of water (kg) = 1.000e+00 @@ -10900,10 +10900,10 @@ CO2(g) 2.19 0.10 -2.09 1.000e+01 8.554e+00 -1.446e+00 pH = 3.034 Charge balance pe = 2.303 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 544 + Specific Conductance (µS/cm, 75°C) = 507 Density (g/cm³) = 1.00278 Volume (L) = 1.06069 - Viscosity (mPa s) = 0.38830 + Viscosity (mPa s) = 0.40251 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.598e-04 Mass of water (kg) = 1.000e+00 @@ -11046,10 +11046,10 @@ CO2(g) 2.21 0.10 -2.11 1.000e+01 8.537e+00 -1.463e+00 pH = 3.028 Charge balance pe = 11.326 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 551 + Specific Conductance (µS/cm, 75°C) = 513 Density (g/cm³) = 1.00373 Volume (L) = 1.06045 - Viscosity (mPa s) = 0.38883 + Viscosity (mPa s) = 0.40325 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.734e-04 Mass of water (kg) = 1.000e+00 @@ -11192,10 +11192,10 @@ CO2(g) 2.22 0.10 -2.12 1.000e+01 8.520e+00 -1.480e+00 pH = 3.022 Charge balance pe = 2.335 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 558 + Specific Conductance (µS/cm, 75°C) = 519 Density (g/cm³) = 1.00467 Volume (L) = 1.06019 - Viscosity (mPa s) = 0.38937 + Viscosity (mPa s) = 0.40397 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.869e-04 Mass of water (kg) = 1.000e+00 @@ -11338,10 +11338,10 @@ CO2(g) 2.24 0.11 -2.13 1.000e+01 8.504e+00 -1.496e+00 pH = 3.016 Charge balance pe = 3.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 565 + Specific Conductance (µS/cm, 75°C) = 526 Density (g/cm³) = 1.00560 Volume (L) = 1.05992 - Viscosity (mPa s) = 0.38990 + Viscosity (mPa s) = 0.40469 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.000e+00 @@ -11484,10 +11484,10 @@ CO2(g) 2.25 0.11 -2.14 1.000e+01 8.488e+00 -1.512e+00 pH = 3.011 Charge balance pe = 2.514 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 572 + Specific Conductance (µS/cm, 75°C) = 532 Density (g/cm³) = 1.00652 Volume (L) = 1.05962 - Viscosity (mPa s) = 0.39044 + Viscosity (mPa s) = 0.40541 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.014e-03 Mass of water (kg) = 1.000e+00 @@ -11630,10 +11630,10 @@ CO2(g) 2.27 0.12 -2.15 1.000e+01 8.473e+00 -1.527e+00 pH = 3.005 Charge balance pe = 11.260 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 579 + Specific Conductance (µS/cm, 75°C) = 538 Density (g/cm³) = 1.00744 Volume (L) = 1.05931 - Viscosity (mPa s) = 0.39098 + Viscosity (mPa s) = 0.40613 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.027e-03 Mass of water (kg) = 1.000e+00 @@ -11870,7 +11870,7 @@ CO2(g) 0.04 -1.94 -1.98 1.000e+01 9.988e+00 -1.160e-02 Specific Conductance (µS/cm, 100°C) = 46 Density (g/cm³) = 0.95843 Volume (L) = 1.04391 - Viscosity (mPa s) = 0.28161 + Viscosity (mPa s) = 0.28177 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.642e-05 Mass of water (kg) = 1.000e+00 @@ -12013,10 +12013,10 @@ CO2(g) 1.30 -0.69 -1.99 1.000e+01 9.788e+00 -2.119e-01 pH = 3.559 Charge balance pe = 9.460 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 200 + Specific Conductance (µS/cm, 100°C) = 198 Density (g/cm³) = 0.96069 Volume (L) = 1.05063 - Viscosity (mPa s) = 0.28222 + Viscosity (mPa s) = 0.28362 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.852e-04 Mass of water (kg) = 1.000e+00 @@ -12159,10 +12159,10 @@ CO2(g) 1.57 -0.44 -2.00 1.000e+01 9.608e+00 -3.922e-01 pH = 3.426 Charge balance pe = 1.941 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 268 + Specific Conductance (µS/cm, 100°C) = 264 Density (g/cm³) = 0.96280 Volume (L) = 1.05656 - Viscosity (mPa s) = 0.28279 + Viscosity (mPa s) = 0.28514 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.876e-04 Mass of water (kg) = 1.000e+00 @@ -12305,10 +12305,10 @@ CO2(g) 1.71 -0.30 -2.01 1.000e+01 9.448e+00 -5.516e-01 pH = 3.352 Charge balance pe = 9.425 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 314 + Specific Conductance (µS/cm, 100°C) = 308 Density (g/cm³) = 0.96477 Volume (L) = 1.06168 - Viscosity (mPa s) = 0.28336 + Viscosity (mPa s) = 0.28650 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.596e-04 Mass of water (kg) = 1.000e+00 @@ -12451,10 +12451,10 @@ CO2(g) 1.81 -0.21 -2.02 1.000e+01 9.310e+00 -6.900e-01 pH = 3.304 Charge balance pe = 9.638 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 348 + Specific Conductance (µS/cm, 100°C) = 340 Density (g/cm³) = 0.96659 Volume (L) = 1.06598 - Viscosity (mPa s) = 0.28391 + Viscosity (mPa s) = 0.28774 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.148e-04 Mass of water (kg) = 1.000e+00 @@ -12597,10 +12597,10 @@ CO2(g) 1.89 -0.15 -2.03 1.000e+01 9.192e+00 -8.085e-01 pH = 3.268 Charge balance pe = 2.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 375 + Specific Conductance (µS/cm, 100°C) = 364 Density (g/cm³) = 0.96828 Volume (L) = 1.06950 - Viscosity (mPa s) = 0.28447 + Viscosity (mPa s) = 0.28887 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.589e-04 Mass of water (kg) = 1.000e+00 @@ -12743,10 +12743,10 @@ CO2(g) 1.94 -0.10 -2.04 1.000e+01 9.091e+00 -9.086e-01 pH = 3.241 Charge balance pe = 2.106 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 396 + Specific Conductance (µS/cm, 100°C) = 384 Density (g/cm³) = 0.96985 Volume (L) = 1.07232 - Viscosity (mPa s) = 0.28502 + Viscosity (mPa s) = 0.28990 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.950e-04 Mass of water (kg) = 1.000e+00 @@ -12889,10 +12889,10 @@ CO2(g) 1.99 -0.07 -2.06 1.000e+01 9.007e+00 -9.930e-01 pH = 3.220 Charge balance pe = 2.481 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 414 + Specific Conductance (µS/cm, 100°C) = 400 Density (g/cm³) = 0.97132 Volume (L) = 1.07453 - Viscosity (mPa s) = 0.28556 + Viscosity (mPa s) = 0.29085 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.252e-04 Mass of water (kg) = 1.000e+00 @@ -13035,10 +13035,10 @@ CO2(g) 2.03 -0.04 -2.07 1.000e+01 8.936e+00 -1.064e+00 pH = 3.202 Charge balance pe = 2.066 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 429 + Specific Conductance (µS/cm, 100°C) = 413 Density (g/cm³) = 0.97269 Volume (L) = 1.07623 - Viscosity (mPa s) = 0.28611 + Viscosity (mPa s) = 0.29175 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.512e-04 Mass of water (kg) = 1.000e+00 @@ -13181,10 +13181,10 @@ CO2(g) 2.06 -0.02 -2.08 1.000e+01 8.875e+00 -1.125e+00 pH = 3.188 Charge balance pe = 2.440 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 442 + Specific Conductance (µS/cm, 100°C) = 425 Density (g/cm³) = 0.97400 Volume (L) = 1.07754 - Viscosity (mPa s) = 0.28665 + Viscosity (mPa s) = 0.29259 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.740e-04 Mass of water (kg) = 1.000e+00 @@ -13327,10 +13327,10 @@ CO2(g) 2.09 -0.00 -2.09 1.000e+01 8.821e+00 -1.179e+00 pH = 3.175 Charge balance pe = 9.668 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 454 + Specific Conductance (µS/cm, 100°C) = 436 Density (g/cm³) = 0.97526 Volume (L) = 1.07855 - Viscosity (mPa s) = 0.28719 + Viscosity (mPa s) = 0.29340 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.945e-04 Mass of water (kg) = 1.000e+00 @@ -13473,10 +13473,10 @@ CO2(g) 2.11 0.01 -2.10 1.000e+01 8.774e+00 -1.226e+00 pH = 3.163 Charge balance pe = 2.342 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 465 + Specific Conductance (µS/cm, 100°C) = 445 Density (g/cm³) = 0.97647 Volume (L) = 1.07933 - Viscosity (mPa s) = 0.28772 + Viscosity (mPa s) = 0.29418 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.134e-04 Mass of water (kg) = 1.000e+00 @@ -13619,10 +13619,10 @@ CO2(g) 2.13 0.02 -2.11 1.000e+01 8.732e+00 -1.268e+00 pH = 3.153 Charge balance pe = 2.214 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 475 + Specific Conductance (µS/cm, 100°C) = 454 Density (g/cm³) = 0.97765 Volume (L) = 1.07993 - Viscosity (mPa s) = 0.28826 + Viscosity (mPa s) = 0.29493 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.310e-04 Mass of water (kg) = 1.000e+00 @@ -13765,10 +13765,10 @@ CO2(g) 2.16 0.04 -2.12 1.000e+01 8.694e+00 -1.306e+00 pH = 3.143 Charge balance pe = 2.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 484 + Specific Conductance (µS/cm, 100°C) = 463 Density (g/cm³) = 0.97880 Volume (L) = 1.08040 - Viscosity (mPa s) = 0.28879 + Viscosity (mPa s) = 0.29567 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.477e-04 Mass of water (kg) = 1.000e+00 @@ -13911,10 +13911,10 @@ CO2(g) 2.18 0.05 -2.13 1.000e+01 8.658e+00 -1.342e+00 pH = 3.134 Charge balance pe = 2.207 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 493 + Specific Conductance (µS/cm, 100°C) = 471 Density (g/cm³) = 0.97992 Volume (L) = 1.08075 - Viscosity (mPa s) = 0.28932 + Viscosity (mPa s) = 0.29640 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.636e-04 Mass of water (kg) = 1.000e+00 @@ -14057,10 +14057,10 @@ CO2(g) 2.20 0.05 -2.14 1.000e+01 8.625e+00 -1.375e+00 pH = 3.126 Charge balance pe = 2.141 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 502 + Specific Conductance (µS/cm, 100°C) = 479 Density (g/cm³) = 0.98103 Volume (L) = 1.08100 - Viscosity (mPa s) = 0.28986 + Viscosity (mPa s) = 0.29711 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.789e-04 Mass of water (kg) = 1.000e+00 @@ -14203,10 +14203,10 @@ CO2(g) 2.22 0.06 -2.15 1.000e+01 8.595e+00 -1.405e+00 pH = 3.118 Charge balance pe = 2.456 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 510 + Specific Conductance (µS/cm, 100°C) = 486 Density (g/cm³) = 0.98212 Volume (L) = 1.08118 - Viscosity (mPa s) = 0.29039 + Viscosity (mPa s) = 0.29782 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.937e-04 Mass of water (kg) = 1.000e+00 @@ -14349,10 +14349,10 @@ CO2(g) 2.23 0.07 -2.16 1.000e+01 8.566e+00 -1.434e+00 pH = 3.110 Charge balance pe = 2.725 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 518 + Specific Conductance (µS/cm, 100°C) = 494 Density (g/cm³) = 0.98319 Volume (L) = 1.08131 - Viscosity (mPa s) = 0.29092 + Viscosity (mPa s) = 0.29851 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.081e-04 Mass of water (kg) = 1.000e+00 @@ -14495,10 +14495,10 @@ CO2(g) 2.25 0.08 -2.17 1.000e+01 8.538e+00 -1.462e+00 pH = 3.103 Charge balance pe = 9.853 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 526 + Specific Conductance (µS/cm, 100°C) = 501 Density (g/cm³) = 0.98425 Volume (L) = 1.08136 - Viscosity (mPa s) = 0.29144 + Viscosity (mPa s) = 0.29920 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.221e-04 Mass of water (kg) = 1.000e+00 @@ -14641,10 +14641,10 @@ CO2(g) 2.27 0.08 -2.18 1.000e+01 8.512e+00 -1.488e+00 pH = 3.095 Charge balance pe = 2.581 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 534 + Specific Conductance (µS/cm, 100°C) = 508 Density (g/cm³) = 0.98529 Volume (L) = 1.08138 - Viscosity (mPa s) = 0.29197 + Viscosity (mPa s) = 0.29988 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.359e-04 Mass of water (kg) = 1.000e+00 @@ -14787,10 +14787,10 @@ CO2(g) 2.28 0.09 -2.19 1.000e+01 8.487e+00 -1.513e+00 pH = 3.089 Charge balance pe = 2.268 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 542 + Specific Conductance (µS/cm, 100°C) = 515 Density (g/cm³) = 0.98633 Volume (L) = 1.08136 - Viscosity (mPa s) = 0.29250 + Viscosity (mPa s) = 0.30056 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.494e-04 Mass of water (kg) = 1.000e+00 @@ -14933,10 +14933,10 @@ CO2(g) 2.30 0.10 -2.20 1.000e+01 8.464e+00 -1.536e+00 pH = 3.082 Charge balance pe = 9.842 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 549 + Specific Conductance (µS/cm, 100°C) = 521 Density (g/cm³) = 0.98735 Volume (L) = 1.08130 - Viscosity (mPa s) = 0.29302 + Viscosity (mPa s) = 0.30123 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.627e-04 Mass of water (kg) = 1.000e+00 @@ -15079,10 +15079,10 @@ CO2(g) 2.32 0.10 -2.21 1.000e+01 8.441e+00 -1.559e+00 pH = 3.075 Charge balance pe = 2.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 557 + Specific Conductance (µS/cm, 100°C) = 528 Density (g/cm³) = 0.98836 Volume (L) = 1.08119 - Viscosity (mPa s) = 0.29355 + Viscosity (mPa s) = 0.30189 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.757e-04 Mass of water (kg) = 1.000e+00 @@ -15225,10 +15225,10 @@ CO2(g) 2.33 0.11 -2.23 1.000e+01 8.419e+00 -1.581e+00 pH = 3.069 Charge balance pe = 2.394 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 564 + Specific Conductance (µS/cm, 100°C) = 534 Density (g/cm³) = 0.98937 Volume (L) = 1.08108 - Viscosity (mPa s) = 0.29407 + Viscosity (mPa s) = 0.30256 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.887e-04 Mass of water (kg) = 1.000e+00 @@ -15371,10 +15371,10 @@ CO2(g) 2.35 0.11 -2.24 1.000e+01 8.398e+00 -1.602e+00 pH = 3.063 Charge balance pe = 9.855 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 571 + Specific Conductance (µS/cm, 100°C) = 541 Density (g/cm³) = 0.99036 Volume (L) = 1.08092 - Viscosity (mPa s) = 0.29460 + Viscosity (mPa s) = 0.30321 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.014e-04 Mass of water (kg) = 1.000e+00 @@ -15517,10 +15517,10 @@ CO2(g) 2.36 0.12 -2.25 1.000e+01 8.378e+00 -1.622e+00 pH = 3.057 Charge balance pe = 2.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 578 + Specific Conductance (µS/cm, 100°C) = 547 Density (g/cm³) = 0.99135 Volume (L) = 1.08075 - Viscosity (mPa s) = 0.29512 + Viscosity (mPa s) = 0.30387 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.140e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/CO2_conc_PR_EQ_101.sel b/mytest/CO2_conc_PR_EQ_101.sel index 07e04554e..98352aecf 100644 --- a/mytest/CO2_conc_PR_EQ_101.sel +++ b/mytest/CO2_conc_PR_EQ_101.sel @@ -1,213 +1,213 @@ Mu SC 0.000000100661 0.0546997340 0.000000100665 0.0547021220 - 0.000130281240 50.6844929484 - 0.000000101589 0.0551819021 - 0.000541610367 201.9912129731 + 0.000130281240 50.3546614509 + 0.000000101589 0.0551819022 + 0.000541610367 182.5222929760 0.000000102522 0.0556660055 - 0.000708420426 256.7840722035 - 0.000000103464 0.0561544077 - 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0.000003411351 2.8543322274 - 0.000674015404 442.5296147056 - 0.000003468865 2.9021286403 - 0.000694544631 454.2580875532 - 0.000003527609 2.9509311184 - 0.000713409532 465.0113842818 - 0.000003587606 3.0007577575 - 0.000731009956 475.0304469268 - 0.000003648879 3.0516270519 - 0.000747654877 484.4964149341 - 0.000003711451 3.1035578995 - 0.000763583054 493.5459324747 - 0.000003775347 3.1565696087 - 0.000778857336 502.2220934742 - 0.000003840591 3.2106819049 - 0.000793651232 510.6201119419 - 0.000003907209 3.2659149371 - 0.000808091900 518.8088091347 - 0.000003975226 3.3222892855 - 0.000822120333 526.7646274461 - 0.000004044670 3.3798259685 - 0.000835874207 534.5587235736 - 0.000004115566 3.4385464510 - 0.000849442213 542.2366062704 - 0.000004187944 3.4984726522 - 0.000862700102 549.7419828230 - 0.000004261830 3.5596269538 - 0.000875742020 557.1223192433 - 0.000004337253 3.6220322094 - 0.000888680915 564.4323979352 - 0.000004414244 3.6857117533 - 0.000901393173 571.6162706156 - 0.000004492833 3.7506894096 - 0.000914004827 578.7339314922 + 0.000002945588 2.4666415128 + 0.000066422611 46.5279243280 + 0.000002992968 2.5061346848 + 0.000285206078 198.2928421115 + 0.000003041397 2.5464880824 + 0.000387562188 264.3251706974 + 0.000003090893 2.5877164562 + 0.000459588725 308.1775178163 + 0.000003141474 2.6298349088 + 0.000514805642 340.2034400137 + 0.000003193160 2.6728588999 + 0.000558908423 364.8002198181 + 0.000003245970 2.7168042512 + 0.000594976778 384.3239467823 + 0.000003299925 2.7616871508 + 0.000625247094 400.3604254444 + 0.000003355045 2.8075241585 + 0.000651215987 413.9211250952 + 0.000003411351 2.8543322102 + 0.000674015404 425.7195803731 + 0.000003468865 2.9021286230 + 0.000694544631 436.2826487181 + 0.000003527609 2.9509311009 + 0.000713409532 445.9538024388 + 0.000003587606 3.0007577399 + 0.000731009956 454.9556822291 + 0.000003648879 3.0516270341 + 0.000747654877 463.4537673823 + 0.000003711451 3.1035578815 + 0.000763583054 471.5716153034 + 0.000003775347 3.1565695906 + 0.000778857336 479.3510795538 + 0.000003840591 3.2106818866 + 0.000793651232 486.8766524337 + 0.000003907209 3.2659149187 + 0.000808091900 494.2090354803 + 0.000003975226 3.3222892669 + 0.000822120333 501.3310669291 + 0.000004044670 3.3798259498 + 0.000835874207 508.3040936539 + 0.000004115566 3.4385464321 + 0.000849442213 515.1672334315 + 0.000004187944 3.4984726330 + 0.000862700102 521.8755567007 + 0.000004261830 3.5596269345 + 0.000875742020 528.4694833710 + 0.000004337253 3.6220321899 + 0.000888680915 534.9946831518 + 0.000004414244 3.6857117336 + 0.000901393173 541.4065216277 + 0.000004492833 3.7506893897 + 0.000914004827 547.7544741438 diff --git a/mytest/CO2_conc_PR_GP.out b/mytest/CO2_conc_PR_GP.out index 8eef24ce7..f644181a6 100644 --- a/mytest/CO2_conc_PR_GP.out +++ b/mytest/CO2_conc_PR_GP.out @@ -155,10 +155,10 @@ H2O(g) -1.44 3.605e-02 0.873 0.000e+00 1.600e-03 1.600e-03 pH = 3.361 Charge balance pe = 14.518 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 168 + Specific Conductance (µS/cm, 25°C) = 157 Density (g/cm³) = 1.00172 Volume (L) = 1.01717 - Viscosity (mPa s) = 0.89005 + Viscosity (mPa s) = 0.92018 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.460e-04 Mass of water (kg) = 1.000e+00 @@ -249,10 +249,10 @@ H2O(g) -1.38 4.170e-02 0.758 1.600e-03 2.035e-03 4.344e-04 pH = 3.234 Charge balance pe = 14.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 221 + Specific Conductance (µS/cm, 25°C) = 195 Density (g/cm³) = 1.00547 Volume (L) = 1.02835 - Viscosity (mPa s) = 0.88994 + Viscosity (mPa s) = 0.94353 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.989e-04 Mass of water (kg) = 1.000e+00 @@ -343,10 +343,10 @@ H2O(g) -1.31 4.844e-02 0.655 2.035e-03 2.630e-03 5.954e-04 pH = 3.173 Charge balance pe = 14.879 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 251 + Specific Conductance (µS/cm, 25°C) = 214 Density (g/cm³) = 1.00829 Volume (L) = 1.03651 - Viscosity (mPa s) = 0.88982 + Viscosity (mPa s) = 0.96063 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.916e-04 Mass of water (kg) = 9.999e-01 @@ -437,10 +437,10 @@ H2O(g) -1.25 5.619e-02 0.567 2.630e-03 3.434e-03 8.042e-04 pH = 3.138 Charge balance pe = 14.896 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 269 + Specific Conductance (µS/cm, 25°C) = 223 Density (g/cm³) = 1.01026 Volume (L) = 1.04195 - Viscosity (mPa s) = 0.88972 + Viscosity (mPa s) = 0.97215 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.491e-04 Mass of water (kg) = 9.999e-01 @@ -531,10 +531,10 @@ H2O(g) -1.19 6.468e-02 0.495 3.434e-03 4.496e-03 1.061e-03 pH = 3.119 Charge balance pe = 14.865 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 279 + Specific Conductance (µS/cm, 25°C) = 229 Density (g/cm³) = 1.01153 Volume (L) = 1.04523 - Viscosity (mPa s) = 0.88964 + Viscosity (mPa s) = 0.97922 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.833e-04 Mass of water (kg) = 9.999e-01 @@ -625,10 +625,10 @@ H2O(g) -1.13 7.355e-02 0.436 4.496e-03 5.860e-03 1.364e-03 pH = 3.109 Charge balance pe = 14.965 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 285 + Specific Conductance (µS/cm, 25°C) = 232 Density (g/cm³) = 1.01227 Volume (L) = 1.04696 - Viscosity (mPa s) = 0.88958 + Viscosity (mPa s) = 0.98307 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.020e-04 Mass of water (kg) = 9.999e-01 @@ -719,10 +719,10 @@ H2O(g) -1.08 8.241e-02 0.390 5.860e-03 7.567e-03 1.707e-03 pH = 3.104 Charge balance pe = 14.970 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01263 Volume (L) = 1.04771 - Viscosity (mPa s) = 0.88955 + Viscosity (mPa s) = 0.98483 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.107e-04 Mass of water (kg) = 9.998e-01 @@ -813,10 +813,10 @@ H2O(g) -1.04 9.092e-02 0.354 7.567e-03 9.655e-03 2.087e-03 pH = 3.103 Charge balance pe = 14.999 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01275 Volume (L) = 1.04790 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98535 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.134e-04 Mass of water (kg) = 9.998e-01 @@ -907,10 +907,10 @@ H2O(g) -1.00 9.936e-02 0.324 9.655e-03 1.213e-02 2.480e-03 pH = 3.103 Charge balance pe = 14.961 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01275 Volume (L) = 1.04785 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98535 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.134e-04 Mass of water (kg) = 9.998e-01 @@ -1001,10 +1001,10 @@ H2O(g) -0.96 1.086e-01 0.296 1.213e-02 1.501e-02 2.873e-03 pH = 3.103 Charge balance pe = 14.951 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01274 Volume (L) = 1.04777 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98529 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.131e-04 Mass of water (kg) = 9.997e-01 @@ -1095,10 +1095,10 @@ H2O(g) -0.93 1.188e-01 0.271 1.501e-02 1.832e-02 3.310e-03 pH = 3.103 Charge balance pe = 14.982 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01273 Volume (L) = 1.04764 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98517 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.127e-04 Mass of water (kg) = 9.997e-01 @@ -1189,10 +1189,10 @@ H2O(g) -0.89 1.298e-01 0.248 1.832e-02 2.211e-02 3.792e-03 pH = 3.104 Charge balance pe = 15.053 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01270 Volume (L) = 1.04749 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98501 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.120e-04 Mass of water (kg) = 9.996e-01 @@ -1283,10 +1283,10 @@ H2O(g) -0.85 1.418e-01 0.227 2.211e-02 2.643e-02 4.318e-03 pH = 3.104 Charge balance pe = 15.060 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01268 Volume (L) = 1.04733 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98484 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.113e-04 Mass of water (kg) = 9.995e-01 @@ -1377,10 +1377,10 @@ H2O(g) -0.81 1.546e-01 0.208 2.643e-02 3.131e-02 4.886e-03 pH = 3.105 Charge balance pe = 15.050 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01266 Volume (L) = 1.04716 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98470 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.107e-04 Mass of water (kg) = 9.994e-01 @@ -1471,10 +1471,10 @@ H2O(g) -0.77 1.683e-01 0.191 3.131e-02 3.680e-02 5.491e-03 pH = 3.105 Charge balance pe = 15.036 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01265 Volume (L) = 1.04701 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98460 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.103e-04 Mass of water (kg) = 9.993e-01 @@ -1565,10 +1565,10 @@ H2O(g) -0.72 1.895e-01 0.170 3.680e-02 4.277e-02 5.962e-03 pH = 3.103 Charge balance pe = 15.028 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01280 Volume (L) = 1.04694 - Viscosity (mPa s) = 0.88951 + Viscosity (mPa s) = 0.98489 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.128e-04 Mass of water (kg) = 9.992e-01 @@ -1659,10 +1659,10 @@ H2O(g) -0.64 2.295e-01 0.141 4.277e-02 4.899e-02 6.218e-03 pH = 3.099 Charge balance pe = 15.028 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01331 Volume (L) = 1.04695 - Viscosity (mPa s) = 0.88941 + Viscosity (mPa s) = 0.98581 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.209e-04 Mass of water (kg) = 9.991e-01 @@ -1753,10 +1753,10 @@ H2O(g) -0.54 2.871e-01 0.114 4.899e-02 5.557e-02 6.581e-03 pH = 3.093 Charge balance pe = 15.050 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 296 + Specific Conductance (µS/cm, 25°C) = 238 Density (g/cm³) = 1.01407 Volume (L) = 1.04691 - Viscosity (mPa s) = 0.88926 + Viscosity (mPa s) = 0.98702 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.326e-04 Mass of water (kg) = 9.990e-01 @@ -1847,10 +1847,10 @@ H2O(g) -0.43 3.684e-01 0.090 5.557e-02 6.244e-02 6.869e-03 pH = 3.085 Charge balance pe = 15.065 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 301 + Specific Conductance (µS/cm, 25°C) = 242 Density (g/cm³) = 1.01510 Volume (L) = 1.04680 - Viscosity (mPa s) = 0.88906 + Viscosity (mPa s) = 0.98852 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.483e-04 Mass of water (kg) = 9.989e-01 @@ -1941,10 +1941,10 @@ H2O(g) -0.32 4.806e-01 0.070 6.244e-02 6.950e-02 7.062e-03 pH = 3.075 Charge balance pe = 15.076 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 309 + Specific Conductance (µS/cm, 25°C) = 246 Density (g/cm³) = 1.01648 Volume (L) = 1.04656 - Viscosity (mPa s) = 0.88881 + Viscosity (mPa s) = 0.99032 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.689e-04 Mass of water (kg) = 9.987e-01 @@ -2042,10 +2042,10 @@ H2O(g) -0.20 6.323e-01 0.055 6.950e-02 7.663e-02 7.134e-03 pH = 3.062 Charge balance pe = 16.352 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 318 + Specific Conductance (µS/cm, 25°C) = 253 Density (g/cm³) = 1.01827 Volume (L) = 1.04611 - Viscosity (mPa s) = 0.88851 + Viscosity (mPa s) = 0.99242 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.953e-04 Mass of water (kg) = 9.986e-01 @@ -2143,10 +2143,10 @@ H2O(g) -0.08 8.332e-01 0.043 7.663e-02 8.369e-02 7.061e-03 pH = 3.046 Charge balance pe = 16.367 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 331 + Specific Conductance (µS/cm, 25°C) = 261 Density (g/cm³) = 1.02055 Volume (L) = 1.04539 - Viscosity (mPa s) = 0.88817 + Viscosity (mPa s) = 0.99485 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.288e-04 Mass of water (kg) = 9.985e-01 @@ -2244,10 +2244,10 @@ H2O(g) 0.04 1.094e+00 0.034 8.369e-02 9.050e-02 6.811e-03 pH = 3.027 Charge balance pe = 16.384 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 347 + Specific Conductance (µS/cm, 25°C) = 272 Density (g/cm³) = 1.02340 Volume (L) = 1.04430 - Viscosity (mPa s) = 0.88783 + Viscosity (mPa s) = 0.99763 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.710e-04 Mass of water (kg) = 9.984e-01 @@ -2345,10 +2345,10 @@ H2O(g) 0.15 1.428e+00 0.027 9.050e-02 9.685e-02 6.351e-03 pH = 3.004 Charge balance pe = 16.406 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 367 + Specific Conductance (µS/cm, 25°C) = 286 Density (g/cm³) = 1.02694 Volume (L) = 1.04272 - Viscosity (mPa s) = 0.88756 + Viscosity (mPa s) = 1.00083 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.024e-03 Mass of water (kg) = 9.982e-01 @@ -2446,10 +2446,10 @@ H2O(g) 0.27 1.846e+00 0.023 9.685e-02 1.025e-01 5.640e-03 pH = 2.977 Charge balance pe = 16.431 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 392 + Specific Conductance (µS/cm, 25°C) = 303 Density (g/cm³) = 1.03129 Volume (L) = 1.04050 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00456 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.091e-03 Mass of water (kg) = 9.981e-01 @@ -2547,10 +2547,10 @@ H2O(g) 0.37 2.361e+00 0.019 1.025e-01 1.071e-01 4.633e-03 pH = 2.945 Charge balance pe = 16.460 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 425 + Specific Conductance (µS/cm, 25°C) = 326 Density (g/cm³) = 1.03663 Volume (L) = 1.03747 - Viscosity (mPa s) = 0.88783 + Viscosity (mPa s) = 1.00901 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.176e-03 Mass of water (kg) = 9.980e-01 @@ -2729,10 +2729,10 @@ H2O(g) -0.85 1.400e-01 0.872 0.000e+00 5.717e-03 5.717e-03 pH = 3.402 Charge balance pe = 2.043 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 205 + Specific Conductance (µS/cm, 50°C) = 200 Density (g/cm³) = 0.99137 Volume (L) = 1.02222 - Viscosity (mPa s) = 0.54698 + Viscosity (mPa s) = 0.55428 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.059e-04 Mass of water (kg) = 9.999e-01 @@ -2823,10 +2823,10 @@ H2O(g) -0.79 1.615e-01 0.761 5.717e-03 7.178e-03 1.461e-03 pH = 3.277 Charge balance pe = 2.054 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 270 + Specific Conductance (µS/cm, 50°C) = 258 Density (g/cm³) = 0.99409 Volume (L) = 1.03007 - Viscosity (mPa s) = 0.54734 + Viscosity (mPa s) = 0.56004 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.432e-04 Mass of water (kg) = 9.999e-01 @@ -2917,10 +2917,10 @@ H2O(g) -0.73 1.861e-01 0.665 7.178e-03 9.044e-03 1.866e-03 pH = 3.215 Charge balance pe = 2.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 308 + Specific Conductance (µS/cm, 50°C) = 290 Density (g/cm³) = 0.99620 Volume (L) = 1.03584 - Viscosity (mPa s) = 0.54765 + Viscosity (mPa s) = 0.56435 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.276e-04 Mass of water (kg) = 9.998e-01 @@ -3011,10 +3011,10 @@ H2O(g) -0.67 2.136e-01 0.583 9.044e-03 1.139e-02 2.342e-03 pH = 3.178 Charge balance pe = 2.262 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 333 + Specific Conductance (µS/cm, 50°C) = 310 Density (g/cm³) = 0.99780 Volume (L) = 1.03988 - Viscosity (mPa s) = 0.54791 + Viscosity (mPa s) = 0.56749 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.831e-04 Mass of water (kg) = 9.998e-01 @@ -3105,10 +3105,10 @@ H2O(g) -0.61 2.437e-01 0.514 1.139e-02 1.427e-02 2.881e-03 pH = 3.156 Charge balance pe = 2.390 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 349 + Specific Conductance (µS/cm, 50°C) = 322 Density (g/cm³) = 0.99898 Volume (L) = 1.04261 - Viscosity (mPa s) = 0.54813 + Viscosity (mPa s) = 0.56970 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.202e-04 Mass of water (kg) = 9.997e-01 @@ -3199,10 +3199,10 @@ H2O(g) -0.56 2.762e-01 0.456 1.427e-02 1.774e-02 3.477e-03 pH = 3.141 Charge balance pe = 2.370 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 359 + Specific Conductance (µS/cm, 50°C) = 331 Density (g/cm³) = 0.99985 Volume (L) = 1.04438 - Viscosity (mPa s) = 0.54831 + Viscosity (mPa s) = 0.57125 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.453e-04 Mass of water (kg) = 9.997e-01 @@ -3293,10 +3293,10 @@ H2O(g) -0.51 3.107e-01 0.407 1.774e-02 2.186e-02 4.119e-03 pH = 3.131 Charge balance pe = 2.454 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 367 + Specific Conductance (µS/cm, 50°C) = 336 Density (g/cm³) = 1.00049 Volume (L) = 1.04551 - Viscosity (mPa s) = 0.54846 + Viscosity (mPa s) = 0.57233 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.626e-04 Mass of water (kg) = 9.996e-01 @@ -3387,10 +3387,10 @@ H2O(g) -0.46 3.475e-01 0.365 2.186e-02 2.666e-02 4.799e-03 pH = 3.125 Charge balance pe = 2.382 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 372 + Specific Conductance (µS/cm, 50°C) = 340 Density (g/cm³) = 1.00098 Volume (L) = 1.04621 - Viscosity (mPa s) = 0.54858 + Viscosity (mPa s) = 0.57310 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.747e-04 Mass of water (kg) = 9.995e-01 @@ -3481,10 +3481,10 @@ H2O(g) -0.41 3.869e-01 0.329 2.666e-02 3.217e-02 5.510e-03 pH = 3.120 Charge balance pe = 12.980 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 376 + Specific Conductance (µS/cm, 50°C) = 343 Density (g/cm³) = 1.00135 Volume (L) = 1.04665 - Viscosity (mPa s) = 0.54868 + Viscosity (mPa s) = 0.57367 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.838e-04 Mass of water (kg) = 9.994e-01 @@ -3575,10 +3575,10 @@ H2O(g) -0.37 4.298e-01 0.297 3.217e-02 3.841e-02 6.243e-03 pH = 3.116 Charge balance pe = 12.984 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 379 + Specific Conductance (µS/cm, 50°C) = 346 Density (g/cm³) = 1.00168 Volume (L) = 1.04693 - Viscosity (mPa s) = 0.54877 + Viscosity (mPa s) = 0.57414 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.911e-04 Mass of water (kg) = 9.993e-01 @@ -3669,10 +3669,10 @@ H2O(g) -0.32 4.775e-01 0.268 3.841e-02 4.540e-02 6.987e-03 pH = 3.112 Charge balance pe = 13.013 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 382 + Specific Conductance (µS/cm, 50°C) = 348 Density (g/cm³) = 1.00199 Volume (L) = 1.04712 - Viscosity (mPa s) = 0.54887 + Viscosity (mPa s) = 0.57455 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.977e-04 Mass of water (kg) = 9.992e-01 @@ -3763,10 +3763,10 @@ H2O(g) -0.27 5.320e-01 0.241 4.540e-02 5.313e-02 7.732e-03 pH = 3.108 Charge balance pe = 13.051 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 385 + Specific Conductance (µS/cm, 50°C) = 350 Density (g/cm³) = 1.00231 Volume (L) = 1.04725 - Viscosity (mPa s) = 0.54897 + Viscosity (mPa s) = 0.57497 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.043e-04 Mass of water (kg) = 9.990e-01 @@ -3857,10 +3857,10 @@ H2O(g) -0.22 5.960e-01 0.216 5.313e-02 6.160e-02 8.464e-03 pH = 3.105 Charge balance pe = 13.055 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 388 + Specific Conductance (µS/cm, 50°C) = 353 Density (g/cm³) = 1.00268 Volume (L) = 1.04734 - Viscosity (mPa s) = 0.54910 + Viscosity (mPa s) = 0.57542 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.115e-04 Mass of water (kg) = 9.989e-01 @@ -3951,10 +3951,10 @@ H2O(g) -0.17 6.730e-01 0.192 6.160e-02 7.077e-02 9.169e-03 pH = 3.100 Charge balance pe = 13.070 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 391 + Specific Conductance (µS/cm, 50°C) = 356 Density (g/cm³) = 1.00313 Volume (L) = 1.04741 - Viscosity (mPa s) = 0.54926 + Viscosity (mPa s) = 0.57594 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.198e-04 Mass of water (kg) = 9.987e-01 @@ -4045,10 +4045,10 @@ H2O(g) -0.12 7.673e-01 0.170 7.077e-02 8.060e-02 9.828e-03 pH = 3.095 Charge balance pe = 13.038 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 396 + Specific Conductance (µS/cm, 50°C) = 359 Density (g/cm³) = 1.00368 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54946 + Viscosity (mPa s) = 0.57656 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.298e-04 Mass of water (kg) = 9.985e-01 @@ -4139,10 +4139,10 @@ H2O(g) -0.05 8.845e-01 0.148 8.060e-02 9.102e-02 1.042e-02 pH = 3.089 Charge balance pe = 13.087 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 401 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00438 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54972 + Viscosity (mPa s) = 0.57730 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.417e-04 Mass of water (kg) = 9.983e-01 @@ -4233,10 +4233,10 @@ H2O(g) 0.01 1.031e+00 0.129 9.102e-02 1.020e-01 1.094e-02 pH = 3.082 Charge balance pe = 13.086 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 408 + Specific Conductance (µS/cm, 50°C) = 368 Density (g/cm³) = 1.00524 Volume (L) = 1.04738 - Viscosity (mPa s) = 0.55006 + Viscosity (mPa s) = 0.57818 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.561e-04 Mass of water (kg) = 9.981e-01 @@ -4327,10 +4327,10 @@ H2O(g) 0.08 1.215e+00 0.111 1.020e-01 1.133e-01 1.134e-02 pH = 3.073 Charge balance pe = 13.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 416 + Specific Conductance (µS/cm, 50°C) = 375 Density (g/cm³) = 1.00631 Volume (L) = 1.04724 - Viscosity (mPa s) = 0.55049 + Viscosity (mPa s) = 0.57924 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.735e-04 Mass of water (kg) = 9.979e-01 @@ -4421,10 +4421,10 @@ H2O(g) 0.16 1.445e+00 0.095 1.133e-01 1.249e-01 1.161e-02 pH = 3.063 Charge balance pe = 13.144 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 425 + Specific Conductance (µS/cm, 50°C) = 382 Density (g/cm³) = 1.00763 Volume (L) = 1.04697 - Viscosity (mPa s) = 0.55104 + Viscosity (mPa s) = 0.58051 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.944e-04 Mass of water (kg) = 9.977e-01 @@ -4515,10 +4515,10 @@ H2O(g) 0.24 1.731e+00 0.081 1.249e-01 1.366e-01 1.171e-02 pH = 3.051 Charge balance pe = 13.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 437 + Specific Conductance (µS/cm, 50°C) = 392 Density (g/cm³) = 1.00924 Volume (L) = 1.04656 - Viscosity (mPa s) = 0.55174 + Viscosity (mPa s) = 0.58202 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.196e-04 Mass of water (kg) = 9.975e-01 @@ -4609,10 +4609,10 @@ H2O(g) 0.32 2.086e+00 0.069 1.366e-01 1.482e-01 1.162e-02 pH = 3.037 Charge balance pe = 13.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 451 + Specific Conductance (µS/cm, 50°C) = 403 Density (g/cm³) = 1.01120 Volume (L) = 1.04594 - Viscosity (mPa s) = 0.55262 + Viscosity (mPa s) = 0.58381 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.498e-04 Mass of water (kg) = 9.973e-01 @@ -4710,10 +4710,10 @@ H2O(g) 0.40 2.523e+00 0.059 1.482e-01 1.595e-01 1.130e-02 pH = 3.021 Charge balance pe = 14.442 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 467 + Specific Conductance (µS/cm, 50°C) = 417 Density (g/cm³) = 1.01357 Volume (L) = 1.04507 - Viscosity (mPa s) = 0.55373 + Viscosity (mPa s) = 0.58594 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.860e-04 Mass of water (kg) = 9.971e-01 @@ -4811,10 +4811,10 @@ H2O(g) 0.48 3.055e+00 0.050 1.595e-01 1.702e-01 1.071e-02 pH = 3.003 Charge balance pe = 14.460 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 488 + Specific Conductance (µS/cm, 50°C) = 433 Density (g/cm³) = 1.01643 Volume (L) = 1.04387 - Viscosity (mPa s) = 0.55513 + Viscosity (mPa s) = 0.58847 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 9.969e-01 @@ -4912,10 +4912,10 @@ H2O(g) 0.57 3.696e+00 0.044 1.702e-01 1.801e-01 9.820e-03 pH = 2.981 Charge balance pe = 14.480 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 512 + Specific Conductance (µS/cm, 50°C) = 453 Density (g/cm³) = 1.01986 Volume (L) = 1.04226 - Viscosity (mPa s) = 0.55689 + Viscosity (mPa s) = 0.59149 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.082e-03 Mass of water (kg) = 9.967e-01 @@ -5013,10 +5013,10 @@ H2O(g) 0.65 4.463e+00 0.039 1.801e-01 1.886e-01 8.575e-03 pH = 2.957 Charge balance pe = 14.503 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 542 + Specific Conductance (µS/cm, 50°C) = 478 Density (g/cm³) = 1.02395 Volume (L) = 1.04014 - Viscosity (mPa s) = 0.55913 + Viscosity (mPa s) = 0.59512 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.146e-03 Mass of water (kg) = 9.966e-01 @@ -5194,10 +5194,10 @@ H2O(g) -0.36 4.356e-01 0.874 0.000e+00 1.642e-02 1.642e-02 pH = 3.466 Charge balance pe = 10.900 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 215 + Specific Conductance (µS/cm, 75°C) = 212 Density (g/cm³) = 0.97762 Volume (L) = 1.03384 - Viscosity (mPa s) = 0.37804 + Viscosity (mPa s) = 0.38078 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.505e-04 Mass of water (kg) = 9.997e-01 @@ -5288,10 +5288,10 @@ H2O(g) -0.30 4.993e-01 0.769 1.642e-02 2.026e-02 3.838e-03 pH = 3.340 Charge balance pe = 10.838 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 285 + Specific Conductance (µS/cm, 75°C) = 278 Density (g/cm³) = 0.97995 Volume (L) = 1.04028 - Viscosity (mPa s) = 0.37856 + Viscosity (mPa s) = 0.38322 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.703e-04 Mass of water (kg) = 9.996e-01 @@ -5382,10 +5382,10 @@ H2O(g) -0.24 5.707e-01 0.679 2.026e-02 2.494e-02 4.679e-03 pH = 3.276 Charge balance pe = 2.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 327 + Specific Conductance (µS/cm, 75°C) = 317 Density (g/cm³) = 0.98185 Volume (L) = 1.04514 - Viscosity (mPa s) = 0.37903 + Viscosity (mPa s) = 0.38513 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.462e-04 Mass of water (kg) = 9.995e-01 @@ -5476,10 +5476,10 @@ H2O(g) -0.19 6.497e-01 0.601 2.494e-02 3.056e-02 5.615e-03 pH = 3.236 Charge balance pe = 2.207 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 355 + Specific Conductance (µS/cm, 75°C) = 342 Density (g/cm³) = 0.98339 Volume (L) = 1.04871 - Viscosity (mPa s) = 0.37944 + Viscosity (mPa s) = 0.38664 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.986e-04 Mass of water (kg) = 9.994e-01 @@ -5570,10 +5570,10 @@ H2O(g) -0.13 7.364e-01 0.534 3.056e-02 3.718e-02 6.627e-03 pH = 3.210 Charge balance pe = 11.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 375 + Specific Conductance (µS/cm, 75°C) = 360 Density (g/cm³) = 0.98464 Volume (L) = 1.05128 - Viscosity (mPa s) = 0.37980 + Viscosity (mPa s) = 0.38784 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.364e-04 Mass of water (kg) = 9.993e-01 @@ -5664,10 +5664,10 @@ H2O(g) -0.08 8.308e-01 0.476 3.718e-02 4.488e-02 7.699e-03 pH = 3.191 Charge balance pe = 11.240 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 390 + Specific Conductance (µS/cm, 75°C) = 373 Density (g/cm³) = 0.98568 Volume (L) = 1.05312 - Viscosity (mPa s) = 0.38013 + Viscosity (mPa s) = 0.38880 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.648e-04 Mass of water (kg) = 9.992e-01 @@ -5758,10 +5758,10 @@ H2O(g) -0.03 9.337e-01 0.426 4.488e-02 5.370e-02 8.815e-03 pH = 3.177 Charge balance pe = 11.242 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 402 + Specific Conductance (µS/cm, 75°C) = 383 Density (g/cm³) = 0.98654 Volume (L) = 1.05442 - Viscosity (mPa s) = 0.38042 + Viscosity (mPa s) = 0.38958 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.867e-04 Mass of water (kg) = 9.990e-01 @@ -5852,10 +5852,10 @@ H2O(g) 0.02 1.046e+00 0.383 5.370e-02 6.365e-02 9.958e-03 pH = 3.166 Charge balance pe = 11.260 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 411 + Specific Conductance (µS/cm, 75°C) = 391 Density (g/cm³) = 0.98730 Volume (L) = 1.05534 - Viscosity (mPa s) = 0.38069 + Viscosity (mPa s) = 0.39025 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.045e-04 Mass of water (kg) = 9.988e-01 @@ -5946,10 +5946,10 @@ H2O(g) 0.07 1.170e+00 0.344 6.365e-02 7.477e-02 1.111e-02 pH = 3.157 Charge balance pe = 2.251 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 419 + Specific Conductance (µS/cm, 75°C) = 398 Density (g/cm³) = 0.98799 Volume (L) = 1.05600 - Viscosity (mPa s) = 0.38095 + Viscosity (mPa s) = 0.39085 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.197e-04 Mass of water (kg) = 9.986e-01 @@ -6040,10 +6040,10 @@ H2O(g) 0.12 1.308e+00 0.310 7.477e-02 8.703e-02 1.226e-02 pH = 3.149 Charge balance pe = 2.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 426 + Specific Conductance (µS/cm, 75°C) = 404 Density (g/cm³) = 0.98864 Volume (L) = 1.05647 - Viscosity (mPa s) = 0.38121 + Viscosity (mPa s) = 0.39140 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.333e-04 Mass of water (kg) = 9.984e-01 @@ -6134,10 +6134,10 @@ H2O(g) 0.17 1.463e+00 0.278 8.703e-02 1.004e-01 1.338e-02 pH = 3.142 Charge balance pe = 2.117 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 432 + Specific Conductance (µS/cm, 75°C) = 410 Density (g/cm³) = 0.98930 Volume (L) = 1.05681 - Viscosity (mPa s) = 0.38149 + Viscosity (mPa s) = 0.39195 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.462e-04 Mass of water (kg) = 9.982e-01 @@ -6228,10 +6228,10 @@ H2O(g) 0.21 1.640e+00 0.250 1.004e-01 1.149e-01 1.446e-02 pH = 3.134 Charge balance pe = 2.311 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 439 + Specific Conductance (µS/cm, 75°C) = 416 Density (g/cm³) = 0.98999 Volume (L) = 1.05704 - Viscosity (mPa s) = 0.38179 + Viscosity (mPa s) = 0.39252 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.592e-04 Mass of water (kg) = 9.979e-01 @@ -6322,10 +6322,10 @@ H2O(g) 0.27 1.845e+00 0.224 1.149e-01 1.303e-01 1.547e-02 pH = 3.127 Charge balance pe = 3.209 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 446 + Specific Conductance (µS/cm, 75°C) = 422 Density (g/cm³) = 0.99075 Volume (L) = 1.05719 - Viscosity (mPa s) = 0.38213 + Viscosity (mPa s) = 0.39313 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.726e-04 Mass of water (kg) = 9.976e-01 @@ -6416,10 +6416,10 @@ H2O(g) 0.32 2.085e+00 0.200 1.303e-01 1.467e-01 1.639e-02 pH = 3.119 Charge balance pe = 11.083 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 454 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99159 Volume (L) = 1.05726 - Viscosity (mPa s) = 0.38252 + Viscosity (mPa s) = 0.39380 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.871e-04 Mass of water (kg) = 9.973e-01 @@ -6510,10 +6510,10 @@ H2O(g) 0.37 2.368e+00 0.178 1.467e-01 1.639e-01 1.719e-02 pH = 3.110 Charge balance pe = 2.102 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 462 + Specific Conductance (µS/cm, 75°C) = 436 Density (g/cm³) = 0.99256 Volume (L) = 1.05726 - Viscosity (mPa s) = 0.38298 + Viscosity (mPa s) = 0.39457 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.031e-04 Mass of water (kg) = 9.970e-01 @@ -6604,10 +6604,10 @@ H2O(g) 0.43 2.704e+00 0.158 1.639e-01 1.818e-01 1.784e-02 pH = 3.101 Charge balance pe = 2.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 471 + Specific Conductance (µS/cm, 75°C) = 444 Density (g/cm³) = 0.99369 Volume (L) = 1.05716 - Viscosity (mPa s) = 0.38353 + Viscosity (mPa s) = 0.39544 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.210e-04 Mass of water (kg) = 9.967e-01 @@ -6698,10 +6698,10 @@ H2O(g) 0.49 3.103e+00 0.140 1.818e-01 2.001e-01 1.830e-02 pH = 3.090 Charge balance pe = 1.860 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 482 + Specific Conductance (µS/cm, 75°C) = 453 Density (g/cm³) = 0.99500 Volume (L) = 1.05696 - Viscosity (mPa s) = 0.38420 + Viscosity (mPa s) = 0.39646 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.413e-04 Mass of water (kg) = 9.964e-01 @@ -6792,10 +6792,10 @@ H2O(g) 0.55 3.579e+00 0.123 2.001e-01 2.186e-01 1.854e-02 pH = 3.079 Charge balance pe = 1.859 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 494 + Specific Conductance (µS/cm, 75°C) = 464 Density (g/cm³) = 0.99654 Volume (L) = 1.05664 - Viscosity (mPa s) = 0.38499 + Viscosity (mPa s) = 0.39765 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.646e-04 Mass of water (kg) = 9.960e-01 @@ -6886,10 +6886,10 @@ H2O(g) 0.62 4.146e+00 0.109 2.186e-01 2.371e-01 1.851e-02 pH = 3.066 Charge balance pe = 1.815 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 508 + Specific Conductance (µS/cm, 75°C) = 476 Density (g/cm³) = 0.99835 Volume (L) = 1.05616 - Viscosity (mPa s) = 0.38595 + Viscosity (mPa s) = 0.39904 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.914e-04 Mass of water (kg) = 9.957e-01 @@ -6980,10 +6980,10 @@ H2O(g) 0.68 4.819e+00 0.096 2.371e-01 2.553e-01 1.819e-02 pH = 3.051 Charge balance pe = 1.853 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 525 + Specific Conductance (µS/cm, 75°C) = 491 Density (g/cm³) = 1.00048 Volume (L) = 1.05549 - Viscosity (mPa s) = 0.38711 + Viscosity (mPa s) = 0.40067 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.224e-04 Mass of water (kg) = 9.954e-01 @@ -7074,10 +7074,10 @@ H2O(g) 0.75 5.616e+00 0.085 2.553e-01 2.728e-01 1.752e-02 pH = 3.034 Charge balance pe = 1.836 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 544 + Specific Conductance (µS/cm, 75°C) = 507 Density (g/cm³) = 1.00298 Volume (L) = 1.05459 - Viscosity (mPa s) = 0.38850 + Viscosity (mPa s) = 0.40259 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.585e-04 Mass of water (kg) = 9.951e-01 @@ -7175,10 +7175,10 @@ H2O(g) 0.82 6.552e+00 0.076 2.728e-01 2.893e-01 1.646e-02 pH = 3.016 Charge balance pe = 1.954 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 566 + Specific Conductance (µS/cm, 75°C) = 527 Density (g/cm³) = 1.00591 Volume (L) = 1.05341 - Viscosity (mPa s) = 0.39018 + Viscosity (mPa s) = 0.40486 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.001e-03 Mass of water (kg) = 9.948e-01 @@ -7276,10 +7276,10 @@ H2O(g) 0.88 7.646e+00 0.068 2.893e-01 3.042e-01 1.496e-02 pH = 2.995 Charge balance pe = 1.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 593 + Specific Conductance (µS/cm, 75°C) = 550 Density (g/cm³) = 1.00936 Volume (L) = 1.05188 - Viscosity (mPa s) = 0.39221 + Viscosity (mPa s) = 0.40755 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.050e-03 Mass of water (kg) = 9.945e-01 @@ -7377,10 +7377,10 @@ H2O(g) 0.95 8.913e+00 0.062 3.042e-01 3.172e-01 1.297e-02 pH = 2.972 Charge balance pe = 1.842 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 623 + Specific Conductance (µS/cm, 75°C) = 577 Density (g/cm³) = 1.01339 Volume (L) = 1.04992 - Viscosity (mPa s) = 0.39467 + Viscosity (mPa s) = 0.41073 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.108e-03 Mass of water (kg) = 9.943e-01 @@ -7478,10 +7478,10 @@ H2O(g) 1.02 1.037e+01 0.057 3.172e-01 3.276e-01 1.043e-02 pH = 2.946 Charge balance pe = 12.507 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 660 + Specific Conductance (µS/cm, 75°C) = 608 Density (g/cm³) = 1.01812 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.39767 + Viscosity (mPa s) = 0.41454 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.177e-03 Mass of water (kg) = 9.941e-01 @@ -7648,10 +7648,10 @@ H2O(g) 0.06 1.139e+00 0.877 0.000e+00 3.984e-02 3.984e-02 pH = 3.549 Charge balance pe = 2.553 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 204 + Specific Conductance (µS/cm, 100°C) = 202 Density (g/cm³) = 0.96086 Volume (L) = 1.05014 - Viscosity (mPa s) = 0.28228 + Viscosity (mPa s) = 0.28374 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.920e-04 Mass of water (kg) = 9.993e-01 @@ -7742,10 +7742,10 @@ H2O(g) 0.11 1.294e+00 0.779 3.984e-02 4.816e-02 8.320e-03 pH = 3.419 Charge balance pe = 9.479 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 272 + Specific Conductance (µS/cm, 100°C) = 268 Density (g/cm³) = 0.96303 Volume (L) = 1.05598 - Viscosity (mPa s) = 0.28288 + Viscosity (mPa s) = 0.28529 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.941e-04 Mass of water (kg) = 9.991e-01 @@ -7836,10 +7836,10 @@ H2O(g) 0.17 1.465e+00 0.695 4.816e-02 5.795e-02 9.787e-03 pH = 3.351 Charge balance pe = 2.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 315 + Specific Conductance (µS/cm, 100°C) = 309 Density (g/cm³) = 0.96489 Volume (L) = 1.06054 - Viscosity (mPa s) = 0.28342 + Viscosity (mPa s) = 0.28658 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.610e-04 Mass of water (kg) = 9.989e-01 @@ -7930,10 +7930,10 @@ H2O(g) 0.22 1.653e+00 0.621 5.795e-02 6.931e-02 1.136e-02 pH = 3.308 Charge balance pe = 2.284 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 345 + Specific Conductance (µS/cm, 100°C) = 337 Density (g/cm³) = 0.96649 Volume (L) = 1.06404 - Viscosity (mPa s) = 0.28391 + Viscosity (mPa s) = 0.28766 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.093e-04 Mass of water (kg) = 9.987e-01 @@ -8024,10 +8024,10 @@ H2O(g) 0.27 1.859e+00 0.557 6.931e-02 8.231e-02 1.301e-02 pH = 3.278 Charge balance pe = 9.586 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 368 + Specific Conductance (µS/cm, 100°C) = 357 Density (g/cm³) = 0.96788 Volume (L) = 1.06668 - Viscosity (mPa s) = 0.28436 + Viscosity (mPa s) = 0.28859 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.462e-04 Mass of water (kg) = 9.985e-01 @@ -8118,10 +8118,10 @@ H2O(g) 0.32 2.085e+00 0.501 8.231e-02 9.701e-02 1.470e-02 pH = 3.255 Charge balance pe = 2.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 385 + Specific Conductance (µS/cm, 100°C) = 374 Density (g/cm³) = 0.96910 Volume (L) = 1.06867 - Viscosity (mPa s) = 0.28479 + Viscosity (mPa s) = 0.28940 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.755e-04 Mass of water (kg) = 9.982e-01 @@ -8212,10 +8212,10 @@ H2O(g) 0.37 2.333e+00 0.451 9.701e-02 1.134e-01 1.641e-02 pH = 3.238 Charge balance pe = 1.936 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 399 + Specific Conductance (µS/cm, 100°C) = 387 Density (g/cm³) = 0.97021 Volume (L) = 1.07015 - Viscosity (mPa s) = 0.28519 + Viscosity (mPa s) = 0.29012 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.997e-04 Mass of water (kg) = 9.979e-01 @@ -8306,10 +8306,10 @@ H2O(g) 0.42 2.605e+00 0.407 1.134e-01 1.315e-01 1.811e-02 pH = 3.223 Charge balance pe = 1.783 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 412 + Specific Conductance (µS/cm, 100°C) = 398 Density (g/cm³) = 0.97124 Volume (L) = 1.07126 - Viscosity (mPa s) = 0.28558 + Viscosity (mPa s) = 0.29079 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.205e-04 Mass of water (kg) = 9.976e-01 @@ -8400,10 +8400,10 @@ H2O(g) 0.46 2.906e+00 0.368 1.315e-01 1.513e-01 1.977e-02 pH = 3.210 Charge balance pe = 1.837 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 422 + Specific Conductance (µS/cm, 100°C) = 408 Density (g/cm³) = 0.97222 Volume (L) = 1.07208 - Viscosity (mPa s) = 0.28597 + Viscosity (mPa s) = 0.29143 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.392e-04 Mass of water (kg) = 9.973e-01 @@ -8494,10 +8494,10 @@ H2O(g) 0.51 3.242e+00 0.332 1.513e-01 1.727e-01 2.137e-02 pH = 3.199 Charge balance pe = 1.844 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 432 + Specific Conductance (µS/cm, 100°C) = 417 Density (g/cm³) = 0.97320 Volume (L) = 1.07268 - Viscosity (mPa s) = 0.28637 + Viscosity (mPa s) = 0.29206 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.566e-04 Mass of water (kg) = 9.969e-01 @@ -8588,10 +8588,10 @@ H2O(g) 0.56 3.618e+00 0.300 1.727e-01 1.955e-01 2.287e-02 pH = 3.188 Charge balance pe = 1.937 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 442 + Specific Conductance (µS/cm, 100°C) = 425 Density (g/cm³) = 0.97420 Volume (L) = 1.07311 - Viscosity (mPa s) = 0.28679 + Viscosity (mPa s) = 0.29271 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.734e-04 Mass of water (kg) = 9.965e-01 @@ -8682,10 +8682,10 @@ H2O(g) 0.61 4.045e+00 0.271 1.955e-01 2.198e-01 2.424e-02 pH = 3.177 Charge balance pe = 1.932 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 452 + Specific Conductance (µS/cm, 100°C) = 434 Density (g/cm³) = 0.97525 Volume (L) = 1.07339 - Viscosity (mPa s) = 0.28725 + Viscosity (mPa s) = 0.29338 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.903e-04 Mass of water (kg) = 9.960e-01 @@ -8776,10 +8776,10 @@ H2O(g) 0.66 4.530e+00 0.245 2.198e-01 2.452e-01 2.545e-02 pH = 3.166 Charge balance pe = 1.879 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 462 + Specific Conductance (µS/cm, 100°C) = 443 Density (g/cm³) = 0.97639 Volume (L) = 1.07355 - Viscosity (mPa s) = 0.28776 + Viscosity (mPa s) = 0.29411 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.077e-04 Mass of water (kg) = 9.956e-01 @@ -8870,10 +8870,10 @@ H2O(g) 0.71 5.087e+00 0.221 2.452e-01 2.717e-01 2.646e-02 pH = 3.155 Charge balance pe = 1.871 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 472 + Specific Conductance (µS/cm, 100°C) = 453 Density (g/cm³) = 0.97763 Volume (L) = 1.07359 - Viscosity (mPa s) = 0.28834 + Viscosity (mPa s) = 0.29491 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.261e-04 Mass of water (kg) = 9.951e-01 @@ -8964,10 +8964,10 @@ H2O(g) 0.76 5.727e+00 0.199 2.717e-01 2.989e-01 2.722e-02 pH = 3.144 Charge balance pe = 1.916 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 484 + Specific Conductance (µS/cm, 100°C) = 463 Density (g/cm³) = 0.97903 Volume (L) = 1.07352 - Viscosity (mPa s) = 0.28899 + Viscosity (mPa s) = 0.29580 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.459e-04 Mass of water (kg) = 9.946e-01 @@ -9058,10 +9058,10 @@ H2O(g) 0.81 6.466e+00 0.179 2.989e-01 3.266e-01 2.770e-02 pH = 3.131 Charge balance pe = 2.021 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 496 + Specific Conductance (µS/cm, 100°C) = 474 Density (g/cm³) = 0.98059 Volume (L) = 1.07333 - Viscosity (mPa s) = 0.28974 + Viscosity (mPa s) = 0.29681 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.676e-04 Mass of water (kg) = 9.941e-01 @@ -9152,10 +9152,10 @@ H2O(g) 0.86 7.319e+00 0.161 3.266e-01 3.544e-01 2.783e-02 pH = 3.118 Charge balance pe = 2.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 510 + Specific Conductance (µS/cm, 100°C) = 486 Density (g/cm³) = 0.98238 Volume (L) = 1.07300 - Viscosity (mPa s) = 0.29062 + Viscosity (mPa s) = 0.29797 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.916e-04 Mass of water (kg) = 9.936e-01 @@ -9246,10 +9246,10 @@ H2O(g) 0.92 8.305e+00 0.145 3.544e-01 3.820e-01 2.758e-02 pH = 3.104 Charge balance pe = 1.927 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 525 + Specific Conductance (µS/cm, 100°C) = 500 Density (g/cm³) = 0.98441 Volume (L) = 1.07253 - Viscosity (mPa s) = 0.29164 + Viscosity (mPa s) = 0.29929 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.184e-04 Mass of water (kg) = 9.931e-01 @@ -9340,10 +9340,10 @@ H2O(g) 0.98 9.442e+00 0.131 3.820e-01 4.089e-01 2.690e-02 pH = 3.088 Charge balance pe = 2.005 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 543 + Specific Conductance (µS/cm, 100°C) = 516 Density (g/cm³) = 0.98675 Volume (L) = 1.07187 - Viscosity (mPa s) = 0.29284 + Viscosity (mPa s) = 0.30081 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.487e-04 Mass of water (kg) = 9.926e-01 @@ -9434,10 +9434,10 @@ H2O(g) 1.03 1.075e+01 0.119 4.089e-01 4.347e-01 2.572e-02 pH = 3.071 Charge balance pe = 1.927 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 562 + Specific Conductance (µS/cm, 100°C) = 533 Density (g/cm³) = 0.98943 Volume (L) = 1.07102 - Viscosity (mPa s) = 0.29424 + Viscosity (mPa s) = 0.30257 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.829e-04 Mass of water (kg) = 9.922e-01 @@ -9535,10 +9535,10 @@ H2O(g) 1.09 1.225e+01 0.108 4.347e-01 4.587e-01 2.401e-02 pH = 3.053 Charge balance pe = 1.912 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 584 + Specific Conductance (µS/cm, 100°C) = 553 Density (g/cm³) = 0.99250 Volume (L) = 1.06991 - Viscosity (mPa s) = 0.29588 + Viscosity (mPa s) = 0.30462 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.220e-04 Mass of water (kg) = 9.917e-01 @@ -9636,10 +9636,10 @@ H2O(g) 1.14 1.395e+01 0.099 4.587e-01 4.804e-01 2.170e-02 pH = 3.032 Charge balance pe = 1.967 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 610 + Specific Conductance (µS/cm, 100°C) = 576 Density (g/cm³) = 0.99605 Volume (L) = 1.06852 - Viscosity (mPa s) = 0.29782 + Viscosity (mPa s) = 0.30701 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.668e-04 Mass of water (kg) = 9.913e-01 @@ -9737,10 +9737,10 @@ H2O(g) 1.20 1.588e+01 0.091 4.804e-01 4.991e-01 1.875e-02 pH = 3.010 Charge balance pe = 1.838 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 639 + Specific Conductance (µS/cm, 100°C) = 602 Density (g/cm³) = 1.00012 Volume (L) = 1.06679 - Viscosity (mPa s) = 0.30011 + Viscosity (mPa s) = 0.30979 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.018e-03 Mass of water (kg) = 9.910e-01 @@ -9838,10 +9838,10 @@ H2O(g) 1.26 1.804e+01 0.085 4.991e-01 5.142e-01 1.511e-02 pH = 2.986 Charge balance pe = 1.876 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 673 + Specific Conductance (µS/cm, 100°C) = 632 Density (g/cm³) = 1.00480 Volume (L) = 1.06465 - Viscosity (mPa s) = 0.30281 + Viscosity (mPa s) = 0.31306 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.078e-03 Mass of water (kg) = 9.907e-01 @@ -9939,10 +9939,10 @@ H2O(g) 1.31 2.044e+01 0.081 5.142e-01 5.250e-01 1.075e-02 pH = 2.959 Charge balance pe = 1.869 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 712 + Specific Conductance (µS/cm, 100°C) = 666 Density (g/cm³) = 1.01017 Volume (L) = 1.06205 - Viscosity (mPa s) = 0.30601 + Viscosity (mPa s) = 0.31688 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.147e-03 Mass of water (kg) = 9.905e-01 diff --git a/mytest/CO2_conc_PR_GP1.out b/mytest/CO2_conc_PR_GP1.out index 497c77fe2..519dc05b6 100644 --- a/mytest/CO2_conc_PR_GP1.out +++ b/mytest/CO2_conc_PR_GP1.out @@ -152,10 +152,10 @@ H2O(g) -1.44 3.604e-02 0.873 0.000e+00 1.600e-03 1.600e-03 pH = 3.357 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 170 + Specific Conductance (µS/cm, 25°C) = 155 Density (g/cm³) = 1.00171 Volume (L) = 1.01713 - Viscosity (mPa s) = 0.89003 + Viscosity (mPa s) = 0.91960 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.520e-04 Mass of water (kg) = 1.000e+00 @@ -240,10 +240,10 @@ H2O(g) -1.38 4.171e-02 0.757 1.600e-03 2.036e-03 4.359e-04 pH = 3.232 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 224 + Specific Conductance (µS/cm, 25°C) = 189 Density (g/cm³) = 1.00544 Volume (L) = 1.02821 - Viscosity (mPa s) = 0.88990 + Viscosity (mPa s) = 0.94279 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.072e-04 Mass of water (kg) = 1.000e+00 @@ -328,10 +328,10 @@ H2O(g) -1.31 4.847e-02 0.654 2.036e-03 2.635e-03 5.983e-04 pH = 3.172 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 254 + Specific Conductance (µS/cm, 25°C) = 204 Density (g/cm³) = 1.00823 Volume (L) = 1.03626 - Viscosity (mPa s) = 0.88978 + Viscosity (mPa s) = 0.95981 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.012e-04 Mass of water (kg) = 9.999e-01 @@ -416,10 +416,10 @@ H2O(g) -1.25 5.623e-02 0.567 2.635e-03 3.443e-03 8.083e-04 pH = 3.138 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 273 + Specific Conductance (µS/cm, 25°C) = 211 Density (g/cm³) = 1.01017 Volume (L) = 1.04159 - Viscosity (mPa s) = 0.88967 + Viscosity (mPa s) = 0.97127 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.593e-04 Mass of water (kg) = 9.999e-01 @@ -504,10 +504,10 @@ H2O(g) -1.19 6.473e-02 0.494 3.443e-03 4.509e-03 1.066e-03 pH = 3.120 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 283 + Specific Conductance (µS/cm, 25°C) = 215 Density (g/cm³) = 1.01142 Volume (L) = 1.04479 - Viscosity (mPa s) = 0.88959 + Viscosity (mPa s) = 0.97829 Activity of water = 0.977 Ionic strength (mol/kgw) = 7.939e-04 Mass of water (kg) = 9.999e-01 @@ -592,10 +592,10 @@ H2O(g) -1.13 7.360e-02 0.436 4.509e-03 5.879e-03 1.369e-03 pH = 3.110 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 217 Density (g/cm³) = 1.01215 Volume (L) = 1.04647 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98211 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.127e-04 Mass of water (kg) = 9.999e-01 @@ -680,10 +680,10 @@ H2O(g) -1.08 8.244e-02 0.390 5.879e-03 7.591e-03 1.713e-03 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01250 Volume (L) = 1.04719 - Viscosity (mPa s) = 0.88950 + Viscosity (mPa s) = 0.98384 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.214e-04 Mass of water (kg) = 9.998e-01 @@ -768,10 +768,10 @@ H2O(g) -1.04 9.093e-02 0.353 7.591e-03 9.684e-03 2.093e-03 pH = 3.104 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01261 Volume (L) = 1.04736 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98434 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.240e-04 Mass of water (kg) = 9.998e-01 @@ -856,10 +856,10 @@ H2O(g) -1.00 9.936e-02 0.324 9.684e-03 1.217e-02 2.485e-03 pH = 3.104 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01261 Volume (L) = 1.04731 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98434 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.240e-04 Mass of water (kg) = 9.998e-01 @@ -944,10 +944,10 @@ H2O(g) -0.96 1.086e-01 0.296 1.217e-02 1.505e-02 2.877e-03 pH = 3.104 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01260 Volume (L) = 1.04723 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98428 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.237e-04 Mass of water (kg) = 9.997e-01 @@ -1032,10 +1032,10 @@ H2O(g) -0.93 1.188e-01 0.271 1.505e-02 1.836e-02 3.315e-03 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01259 Volume (L) = 1.04710 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98416 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.232e-04 Mass of water (kg) = 9.997e-01 @@ -1120,10 +1120,10 @@ H2O(g) -0.89 1.298e-01 0.248 1.836e-02 2.216e-02 3.798e-03 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01256 Volume (L) = 1.04695 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98400 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.226e-04 Mass of water (kg) = 9.996e-01 @@ -1208,10 +1208,10 @@ H2O(g) -0.85 1.418e-01 0.227 2.216e-02 2.648e-02 4.324e-03 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01254 Volume (L) = 1.04679 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98383 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.219e-04 Mass of water (kg) = 9.995e-01 @@ -1296,10 +1296,10 @@ H2O(g) -0.81 1.546e-01 0.208 2.648e-02 3.138e-02 4.892e-03 pH = 3.106 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01252 Volume (L) = 1.04662 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98368 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.212e-04 Mass of water (kg) = 9.994e-01 @@ -1384,10 +1384,10 @@ H2O(g) -0.77 1.683e-01 0.191 3.138e-02 3.687e-02 5.497e-03 pH = 3.106 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 291 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.01251 Volume (L) = 1.04648 - Viscosity (mPa s) = 0.88949 + Viscosity (mPa s) = 0.98359 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.208e-04 Mass of water (kg) = 9.993e-01 @@ -1472,10 +1472,10 @@ H2O(g) -0.72 1.900e-01 0.170 3.687e-02 4.283e-02 5.957e-03 pH = 3.104 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 292 + Specific Conductance (µS/cm, 25°C) = 219 Density (g/cm³) = 1.01267 Volume (L) = 1.04641 - Viscosity (mPa s) = 0.88946 + Viscosity (mPa s) = 0.98390 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.236e-04 Mass of water (kg) = 9.992e-01 @@ -1560,10 +1560,10 @@ H2O(g) -0.64 2.303e-01 0.141 4.283e-02 4.905e-02 6.218e-03 pH = 3.100 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 295 + Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 1.01319 Volume (L) = 1.04640 - Viscosity (mPa s) = 0.88936 + Viscosity (mPa s) = 0.98483 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.320e-04 Mass of water (kg) = 9.991e-01 @@ -1648,10 +1648,10 @@ H2O(g) -0.54 2.884e-01 0.113 4.905e-02 5.563e-02 6.579e-03 pH = 3.094 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 300 + Specific Conductance (µS/cm, 25°C) = 222 Density (g/cm³) = 1.01395 Volume (L) = 1.04636 - Viscosity (mPa s) = 0.88921 + Viscosity (mPa s) = 0.98605 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.440e-04 Mass of water (kg) = 9.990e-01 @@ -1736,10 +1736,10 @@ H2O(g) -0.43 3.704e-01 0.090 5.563e-02 6.249e-02 6.864e-03 pH = 3.086 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 305 + Specific Conductance (µS/cm, 25°C) = 225 Density (g/cm³) = 1.01499 Volume (L) = 1.04623 - Viscosity (mPa s) = 0.88901 + Viscosity (mPa s) = 0.98757 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.602e-04 Mass of water (kg) = 9.989e-01 @@ -1824,10 +1824,10 @@ H2O(g) -0.32 4.836e-01 0.070 6.249e-02 6.954e-02 7.054e-03 pH = 3.076 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 313 + Specific Conductance (µS/cm, 25°C) = 230 Density (g/cm³) = 1.01638 Volume (L) = 1.04596 - Viscosity (mPa s) = 0.88876 + Viscosity (mPa s) = 0.98939 Activity of water = 0.974 Ionic strength (mol/kgw) = 8.815e-04 Mass of water (kg) = 9.987e-01 @@ -1912,10 +1912,10 @@ H2O(g) -0.20 6.365e-01 0.054 6.954e-02 7.667e-02 7.122e-03 pH = 3.063 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 323 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01818 Volume (L) = 1.04549 - Viscosity (mPa s) = 0.88846 + Viscosity (mPa s) = 0.99152 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.088e-04 Mass of water (kg) = 9.986e-01 @@ -2000,10 +2000,10 @@ H2O(g) -0.08 8.389e-01 0.043 7.667e-02 8.371e-02 7.043e-03 pH = 3.047 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 336 + Specific Conductance (µS/cm, 25°C) = 243 Density (g/cm³) = 1.02047 Volume (L) = 1.04473 - Viscosity (mPa s) = 0.88812 + Viscosity (mPa s) = 0.99397 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.436e-04 Mass of water (kg) = 9.985e-01 @@ -2088,10 +2088,10 @@ H2O(g) 0.04 1.102e+00 0.034 8.371e-02 9.050e-02 6.787e-03 pH = 3.028 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 352 + Specific Conductance (µS/cm, 25°C) = 252 Density (g/cm³) = 1.02334 Volume (L) = 1.04360 - Viscosity (mPa s) = 0.88779 + Viscosity (mPa s) = 0.99679 Activity of water = 0.972 Ionic strength (mol/kgw) = 9.874e-04 Mass of water (kg) = 9.984e-01 @@ -2176,10 +2176,10 @@ H2O(g) 0.16 1.438e+00 0.027 9.050e-02 9.681e-02 6.318e-03 pH = 3.004 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 373 + Specific Conductance (µS/cm, 25°C) = 265 Density (g/cm³) = 1.02691 Volume (L) = 1.04197 - Viscosity (mPa s) = 0.88754 + Viscosity (mPa s) = 1.00004 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.043e-03 Mass of water (kg) = 9.982e-01 @@ -2264,10 +2264,10 @@ H2O(g) 0.27 1.859e+00 0.023 9.681e-02 1.024e-01 5.597e-03 pH = 2.977 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 400 + Specific Conductance (µS/cm, 25°C) = 280 Density (g/cm³) = 1.03130 Volume (L) = 1.03970 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00383 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.113e-03 Mass of water (kg) = 9.981e-01 @@ -2352,10 +2352,10 @@ H2O(g) 0.38 2.378e+00 0.019 1.024e-01 1.070e-01 4.577e-03 pH = 2.944 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 435 + Specific Conductance (µS/cm, 25°C) = 301 Density (g/cm³) = 1.03667 Volume (L) = 1.03660 - Viscosity (mPa s) = 0.88786 + Viscosity (mPa s) = 1.00836 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.203e-03 Mass of water (kg) = 9.981e-01 @@ -2526,10 +2526,10 @@ H2O(g) -0.85 1.399e-01 0.872 0.000e+00 5.715e-03 5.715e-03 pH = 3.398 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 208 + Specific Conductance (µS/cm, 50°C) = 200 Density (g/cm³) = 0.99138 Volume (L) = 1.02224 - Viscosity (mPa s) = 0.54693 + Viscosity (mPa s) = 0.55395 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.110e-04 Mass of water (kg) = 9.999e-01 @@ -2614,10 +2614,10 @@ H2O(g) -0.79 1.614e-01 0.761 5.715e-03 7.171e-03 1.456e-03 pH = 3.274 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 273 + Specific Conductance (µS/cm, 50°C) = 256 Density (g/cm³) = 0.99410 Volume (L) = 1.03013 - Viscosity (mPa s) = 0.54727 + Viscosity (mPa s) = 0.55979 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.500e-04 Mass of water (kg) = 9.999e-01 @@ -2702,10 +2702,10 @@ H2O(g) -0.73 1.859e-01 0.665 7.171e-03 9.030e-03 1.858e-03 pH = 3.213 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 312 + Specific Conductance (µS/cm, 50°C) = 286 Density (g/cm³) = 0.99623 Volume (L) = 1.03598 - Viscosity (mPa s) = 0.54757 + Viscosity (mPa s) = 0.56424 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.355e-04 Mass of water (kg) = 9.998e-01 @@ -2790,10 +2790,10 @@ H2O(g) -0.67 2.132e-01 0.583 9.030e-03 1.136e-02 2.331e-03 pH = 3.177 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 336 + Specific Conductance (µS/cm, 50°C) = 304 Density (g/cm³) = 0.99784 Volume (L) = 1.04011 - Viscosity (mPa s) = 0.54783 + Viscosity (mPa s) = 0.56753 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.917e-04 Mass of water (kg) = 9.998e-01 @@ -2878,10 +2878,10 @@ H2O(g) -0.61 2.432e-01 0.514 1.136e-02 1.423e-02 2.868e-03 pH = 3.155 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 353 + Specific Conductance (µS/cm, 50°C) = 315 Density (g/cm³) = 0.99905 Volume (L) = 1.04292 - Viscosity (mPa s) = 0.54805 + Viscosity (mPa s) = 0.56987 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.294e-04 Mass of water (kg) = 9.997e-01 @@ -2966,10 +2966,10 @@ H2O(g) -0.56 2.755e-01 0.456 1.423e-02 1.769e-02 3.462e-03 pH = 3.141 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 363 + Specific Conductance (µS/cm, 50°C) = 323 Density (g/cm³) = 0.99993 Volume (L) = 1.04476 - Viscosity (mPa s) = 0.54823 + Viscosity (mPa s) = 0.57152 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.549e-04 Mass of water (kg) = 9.997e-01 @@ -3054,10 +3054,10 @@ H2O(g) -0.51 3.100e-01 0.407 1.769e-02 2.179e-02 4.103e-03 pH = 3.131 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 371 + Specific Conductance (µS/cm, 50°C) = 328 Density (g/cm³) = 1.00059 Volume (L) = 1.04594 - Viscosity (mPa s) = 0.54837 + Viscosity (mPa s) = 0.57268 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.724e-04 Mass of water (kg) = 9.996e-01 @@ -3142,10 +3142,10 @@ H2O(g) -0.46 3.466e-01 0.365 2.179e-02 2.658e-02 4.783e-03 pH = 3.124 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 376 + Specific Conductance (µS/cm, 50°C) = 331 Density (g/cm³) = 1.00108 Volume (L) = 1.04668 - Viscosity (mPa s) = 0.54849 + Viscosity (mPa s) = 0.57350 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.848e-04 Mass of water (kg) = 9.995e-01 @@ -3230,10 +3230,10 @@ H2O(g) -0.41 3.859e-01 0.329 2.658e-02 3.207e-02 5.493e-03 pH = 3.120 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 380 + Specific Conductance (µS/cm, 50°C) = 334 Density (g/cm³) = 1.00146 Volume (L) = 1.04715 - Viscosity (mPa s) = 0.54860 + Viscosity (mPa s) = 0.57411 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.940e-04 Mass of water (kg) = 9.994e-01 @@ -3318,10 +3318,10 @@ H2O(g) -0.37 4.286e-01 0.297 3.207e-02 3.829e-02 6.224e-03 pH = 3.116 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 383 + Specific Conductance (µS/cm, 50°C) = 336 Density (g/cm³) = 1.00179 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54869 + Viscosity (mPa s) = 0.57461 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.015e-04 Mass of water (kg) = 9.993e-01 @@ -3406,10 +3406,10 @@ H2O(g) -0.32 4.762e-01 0.268 3.829e-02 4.526e-02 6.967e-03 pH = 3.112 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 386 + Specific Conductance (µS/cm, 50°C) = 338 Density (g/cm³) = 1.00210 Volume (L) = 1.04766 - Viscosity (mPa s) = 0.54878 + Viscosity (mPa s) = 0.57505 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.081e-04 Mass of water (kg) = 9.992e-01 @@ -3494,10 +3494,10 @@ H2O(g) -0.28 5.305e-01 0.241 4.526e-02 5.297e-02 7.710e-03 pH = 3.109 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 389 + Specific Conductance (µS/cm, 50°C) = 340 Density (g/cm³) = 1.00243 Volume (L) = 1.04781 - Viscosity (mPa s) = 0.54889 + Viscosity (mPa s) = 0.57549 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.149e-04 Mass of water (kg) = 9.990e-01 @@ -3582,10 +3582,10 @@ H2O(g) -0.23 5.943e-01 0.216 5.297e-02 6.141e-02 8.439e-03 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 392 + Specific Conductance (µS/cm, 50°C) = 342 Density (g/cm³) = 1.00280 Volume (L) = 1.04792 - Viscosity (mPa s) = 0.54901 + Viscosity (mPa s) = 0.57597 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.222e-04 Mass of water (kg) = 9.989e-01 @@ -3670,10 +3670,10 @@ H2O(g) -0.17 6.709e-01 0.193 6.141e-02 7.055e-02 9.141e-03 pH = 3.101 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 396 + Specific Conductance (µS/cm, 50°C) = 345 Density (g/cm³) = 1.00326 Volume (L) = 1.04802 - Viscosity (mPa s) = 0.54917 + Viscosity (mPa s) = 0.57652 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.307e-04 Mass of water (kg) = 9.987e-01 @@ -3758,10 +3758,10 @@ H2O(g) -0.12 7.649e-01 0.170 7.055e-02 8.035e-02 9.797e-03 pH = 3.095 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 400 + Specific Conductance (µS/cm, 50°C) = 348 Density (g/cm³) = 1.00382 Volume (L) = 1.04808 - Viscosity (mPa s) = 0.54937 + Viscosity (mPa s) = 0.57718 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.408e-04 Mass of water (kg) = 9.985e-01 @@ -3846,10 +3846,10 @@ H2O(g) -0.05 8.816e-01 0.149 8.035e-02 9.074e-02 1.039e-02 pH = 3.089 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 406 + Specific Conductance (µS/cm, 50°C) = 352 Density (g/cm³) = 1.00451 Volume (L) = 1.04811 - Viscosity (mPa s) = 0.54963 + Viscosity (mPa s) = 0.57795 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.530e-04 Mass of water (kg) = 9.983e-01 @@ -3934,10 +3934,10 @@ H2O(g) 0.01 1.028e+00 0.129 9.074e-02 1.016e-01 1.090e-02 pH = 3.082 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 412 + Specific Conductance (µS/cm, 50°C) = 356 Density (g/cm³) = 1.00538 Volume (L) = 1.04809 - Viscosity (mPa s) = 0.54997 + Viscosity (mPa s) = 0.57889 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.677e-04 Mass of water (kg) = 9.982e-01 @@ -4022,10 +4022,10 @@ H2O(g) 0.08 1.210e+00 0.111 1.016e-01 1.129e-01 1.130e-02 pH = 3.074 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 420 + Specific Conductance (µS/cm, 50°C) = 362 Density (g/cm³) = 1.00646 Volume (L) = 1.04799 - Viscosity (mPa s) = 0.55040 + Viscosity (mPa s) = 0.58000 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.855e-04 Mass of water (kg) = 9.979e-01 @@ -4110,10 +4110,10 @@ H2O(g) 0.16 1.439e+00 0.095 1.129e-01 1.245e-01 1.156e-02 pH = 3.064 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 430 + Specific Conductance (µS/cm, 50°C) = 369 Density (g/cm³) = 1.00778 Volume (L) = 1.04778 - Viscosity (mPa s) = 0.55096 + Viscosity (mPa s) = 0.58132 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.069e-04 Mass of water (kg) = 9.977e-01 @@ -4198,10 +4198,10 @@ H2O(g) 0.24 1.724e+00 0.081 1.245e-01 1.361e-01 1.166e-02 pH = 3.052 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 442 + Specific Conductance (µS/cm, 50°C) = 378 Density (g/cm³) = 1.00941 Volume (L) = 1.04743 - Viscosity (mPa s) = 0.55165 + Viscosity (mPa s) = 0.58290 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.326e-04 Mass of water (kg) = 9.975e-01 @@ -4286,10 +4286,10 @@ H2O(g) 0.32 2.077e+00 0.069 1.361e-01 1.477e-01 1.157e-02 pH = 3.038 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 456 + Specific Conductance (µS/cm, 50°C) = 388 Density (g/cm³) = 1.01137 Volume (L) = 1.04689 - Viscosity (mPa s) = 0.55254 + Viscosity (mPa s) = 0.58477 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.636e-04 Mass of water (kg) = 9.973e-01 @@ -4374,10 +4374,10 @@ H2O(g) 0.40 2.510e+00 0.059 1.477e-01 1.590e-01 1.124e-02 pH = 3.022 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 473 + Specific Conductance (µS/cm, 50°C) = 400 Density (g/cm³) = 1.01376 Volume (L) = 1.04610 - Viscosity (mPa s) = 0.55365 + Viscosity (mPa s) = 0.58698 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.001e-03 Mass of water (kg) = 9.971e-01 @@ -4462,10 +4462,10 @@ H2O(g) 0.48 3.038e+00 0.051 1.590e-01 1.696e-01 1.066e-02 pH = 3.003 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 494 + Specific Conductance (µS/cm, 50°C) = 416 Density (g/cm³) = 1.01662 Volume (L) = 1.04501 - Viscosity (mPa s) = 0.55504 + Viscosity (mPa s) = 0.58960 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.046e-03 Mass of water (kg) = 9.969e-01 @@ -4550,10 +4550,10 @@ H2O(g) 0.57 3.675e+00 0.044 1.696e-01 1.794e-01 9.772e-03 pH = 2.982 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 519 + Specific Conductance (µS/cm, 50°C) = 434 Density (g/cm³) = 1.02005 Volume (L) = 1.04352 - Viscosity (mPa s) = 0.55681 + Viscosity (mPa s) = 0.59272 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.100e-03 Mass of water (kg) = 9.967e-01 @@ -4638,10 +4638,10 @@ H2O(g) 0.65 4.434e+00 0.039 1.794e-01 1.879e-01 8.537e-03 pH = 2.957 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 550 + Specific Conductance (µS/cm, 50°C) = 457 Density (g/cm³) = 1.02415 Volume (L) = 1.04153 - Viscosity (mPa s) = 0.55904 + Viscosity (mPa s) = 0.59644 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.166e-03 Mass of water (kg) = 9.966e-01 @@ -4811,10 +4811,10 @@ H2O(g) -0.36 4.355e-01 0.874 0.000e+00 1.642e-02 1.642e-02 pH = 3.462 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 218 + Specific Conductance (µS/cm, 75°C) = 214 Density (g/cm³) = 0.97762 Volume (L) = 1.03382 - Viscosity (mPa s) = 0.37799 + Viscosity (mPa s) = 0.38051 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.551e-04 Mass of water (kg) = 9.997e-01 @@ -4899,10 +4899,10 @@ H2O(g) -0.30 4.992e-01 0.769 1.642e-02 2.026e-02 3.838e-03 pH = 3.337 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 288 + Specific Conductance (µS/cm, 75°C) = 278 Density (g/cm³) = 0.97994 Volume (L) = 1.04024 - Viscosity (mPa s) = 0.37850 + Viscosity (mPa s) = 0.38301 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.764e-04 Mass of water (kg) = 9.996e-01 @@ -4987,10 +4987,10 @@ H2O(g) -0.24 5.704e-01 0.679 2.026e-02 2.494e-02 4.676e-03 pH = 3.273 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 331 + Specific Conductance (µS/cm, 75°C) = 316 Density (g/cm³) = 0.98184 Volume (L) = 1.04511 - Viscosity (mPa s) = 0.37895 + Viscosity (mPa s) = 0.38503 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.532e-04 Mass of water (kg) = 9.995e-01 @@ -5075,10 +5075,10 @@ H2O(g) -0.19 6.493e-01 0.601 2.494e-02 3.054e-02 5.607e-03 pH = 3.235 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 359 + Specific Conductance (µS/cm, 75°C) = 341 Density (g/cm³) = 0.98339 Volume (L) = 1.04871 - Viscosity (mPa s) = 0.37936 + Viscosity (mPa s) = 0.38664 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.062e-04 Mass of water (kg) = 9.994e-01 @@ -5163,10 +5163,10 @@ H2O(g) -0.13 7.358e-01 0.534 3.054e-02 3.716e-02 6.615e-03 pH = 3.209 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 380 + Specific Conductance (µS/cm, 75°C) = 357 Density (g/cm³) = 0.98465 Volume (L) = 1.05133 - Viscosity (mPa s) = 0.37972 + Viscosity (mPa s) = 0.38792 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.446e-04 Mass of water (kg) = 9.993e-01 @@ -5251,10 +5251,10 @@ H2O(g) -0.08 8.300e-01 0.476 3.716e-02 4.484e-02 7.684e-03 pH = 3.190 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 395 + Specific Conductance (µS/cm, 75°C) = 370 Density (g/cm³) = 0.98569 Volume (L) = 1.05320 - Viscosity (mPa s) = 0.38004 + Viscosity (mPa s) = 0.38896 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.732e-04 Mass of water (kg) = 9.992e-01 @@ -5339,10 +5339,10 @@ H2O(g) -0.03 9.326e-01 0.426 4.484e-02 5.364e-02 8.796e-03 pH = 3.177 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 406 + Specific Conductance (µS/cm, 75°C) = 379 Density (g/cm³) = 0.98657 Volume (L) = 1.05455 - Viscosity (mPa s) = 0.38033 + Viscosity (mPa s) = 0.38981 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.955e-04 Mass of water (kg) = 9.990e-01 @@ -5427,10 +5427,10 @@ H2O(g) 0.02 1.045e+00 0.383 5.364e-02 6.357e-02 9.936e-03 pH = 3.166 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 415 + Specific Conductance (µS/cm, 75°C) = 386 Density (g/cm³) = 0.98733 Volume (L) = 1.05551 - Viscosity (mPa s) = 0.38061 + Viscosity (mPa s) = 0.39054 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.135e-04 Mass of water (kg) = 9.988e-01 @@ -5515,10 +5515,10 @@ H2O(g) 0.07 1.168e+00 0.344 6.357e-02 7.466e-02 1.109e-02 pH = 3.157 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 423 + Specific Conductance (µS/cm, 75°C) = 393 Density (g/cm³) = 0.98802 Volume (L) = 1.05621 - Viscosity (mPa s) = 0.38087 + Viscosity (mPa s) = 0.39118 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.289e-04 Mass of water (kg) = 9.986e-01 @@ -5603,10 +5603,10 @@ H2O(g) 0.12 1.306e+00 0.310 7.466e-02 8.689e-02 1.223e-02 pH = 3.149 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 430 + Specific Conductance (µS/cm, 75°C) = 398 Density (g/cm³) = 0.98868 Volume (L) = 1.05672 - Viscosity (mPa s) = 0.38113 + Viscosity (mPa s) = 0.39178 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.427e-04 Mass of water (kg) = 9.984e-01 @@ -5691,10 +5691,10 @@ H2O(g) 0.16 1.460e+00 0.279 8.689e-02 1.002e-01 1.335e-02 pH = 3.142 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 437 + Specific Conductance (µS/cm, 75°C) = 404 Density (g/cm³) = 0.98935 Volume (L) = 1.05709 - Viscosity (mPa s) = 0.38140 + Viscosity (mPa s) = 0.39237 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.558e-04 Mass of water (kg) = 9.982e-01 @@ -5779,10 +5779,10 @@ H2O(g) 0.21 1.637e+00 0.250 1.002e-01 1.147e-01 1.443e-02 pH = 3.135 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 444 + Specific Conductance (µS/cm, 75°C) = 409 Density (g/cm³) = 0.99005 Volume (L) = 1.05736 - Viscosity (mPa s) = 0.38170 + Viscosity (mPa s) = 0.39297 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.689e-04 Mass of water (kg) = 9.979e-01 @@ -5867,10 +5867,10 @@ H2O(g) 0.27 1.842e+00 0.224 1.147e-01 1.301e-01 1.543e-02 pH = 3.127 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 451 + Specific Conductance (µS/cm, 75°C) = 415 Density (g/cm³) = 0.99081 Volume (L) = 1.05755 - Viscosity (mPa s) = 0.38204 + Viscosity (mPa s) = 0.39362 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.826e-04 Mass of water (kg) = 9.976e-01 @@ -5955,10 +5955,10 @@ H2O(g) 0.32 2.081e+00 0.200 1.301e-01 1.464e-01 1.634e-02 pH = 3.119 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 458 + Specific Conductance (µS/cm, 75°C) = 421 Density (g/cm³) = 0.99166 Volume (L) = 1.05767 - Viscosity (mPa s) = 0.38243 + Viscosity (mPa s) = 0.39434 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.973e-04 Mass of water (kg) = 9.973e-01 @@ -6043,10 +6043,10 @@ H2O(g) 0.37 2.363e+00 0.178 1.464e-01 1.636e-01 1.713e-02 pH = 3.111 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 467 + Specific Conductance (µS/cm, 75°C) = 427 Density (g/cm³) = 0.99264 Volume (L) = 1.05771 - Viscosity (mPa s) = 0.38290 + Viscosity (mPa s) = 0.39515 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.136e-04 Mass of water (kg) = 9.970e-01 @@ -6131,10 +6131,10 @@ H2O(g) 0.43 2.698e+00 0.158 1.636e-01 1.813e-01 1.777e-02 pH = 3.101 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 476 + Specific Conductance (µS/cm, 75°C) = 435 Density (g/cm³) = 0.99377 Volume (L) = 1.05768 - Viscosity (mPa s) = 0.38345 + Viscosity (mPa s) = 0.39608 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.318e-04 Mass of water (kg) = 9.967e-01 @@ -6219,10 +6219,10 @@ H2O(g) 0.49 3.095e+00 0.140 1.813e-01 1.996e-01 1.822e-02 pH = 3.091 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 487 + Specific Conductance (µS/cm, 75°C) = 444 Density (g/cm³) = 0.99510 Volume (L) = 1.05755 - Viscosity (mPa s) = 0.38411 + Viscosity (mPa s) = 0.39715 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.525e-04 Mass of water (kg) = 9.964e-01 @@ -6307,10 +6307,10 @@ H2O(g) 0.55 3.569e+00 0.123 1.996e-01 2.180e-01 1.845e-02 pH = 3.080 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 499 + Specific Conductance (µS/cm, 75°C) = 453 Density (g/cm³) = 0.99665 Volume (L) = 1.05730 - Viscosity (mPa s) = 0.38491 + Viscosity (mPa s) = 0.39839 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.763e-04 Mass of water (kg) = 9.961e-01 @@ -6395,10 +6395,10 @@ H2O(g) 0.62 4.133e+00 0.109 2.180e-01 2.364e-01 1.842e-02 pH = 3.067 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 514 + Specific Conductance (µS/cm, 75°C) = 465 Density (g/cm³) = 0.99847 Volume (L) = 1.05692 - Viscosity (mPa s) = 0.38587 + Viscosity (mPa s) = 0.39984 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.036e-04 Mass of water (kg) = 9.957e-01 @@ -6483,10 +6483,10 @@ H2O(g) 0.68 4.802e+00 0.096 2.364e-01 2.545e-01 1.809e-02 pH = 3.052 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 530 + Specific Conductance (µS/cm, 75°C) = 478 Density (g/cm³) = 1.00061 Volume (L) = 1.05636 - Viscosity (mPa s) = 0.38703 + Viscosity (mPa s) = 0.40154 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.354e-04 Mass of water (kg) = 9.954e-01 @@ -6571,10 +6571,10 @@ H2O(g) 0.75 5.592e+00 0.085 2.545e-01 2.720e-01 1.742e-02 pH = 3.036 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 550 + Specific Conductance (µS/cm, 75°C) = 494 Density (g/cm³) = 1.00312 Volume (L) = 1.05559 - Viscosity (mPa s) = 0.38842 + Viscosity (mPa s) = 0.40354 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.723e-04 Mass of water (kg) = 9.951e-01 @@ -6659,10 +6659,10 @@ H2O(g) 0.81 6.521e+00 0.076 2.720e-01 2.883e-01 1.636e-02 pH = 3.017 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 572 + Specific Conductance (µS/cm, 75°C) = 512 Density (g/cm³) = 1.00607 Volume (L) = 1.05456 - Viscosity (mPa s) = 0.39010 + Viscosity (mPa s) = 0.40588 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.016e-03 Mass of water (kg) = 9.948e-01 @@ -6747,10 +6747,10 @@ H2O(g) 0.88 7.604e+00 0.068 2.883e-01 3.032e-01 1.487e-02 pH = 2.997 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 599 + Specific Conductance (µS/cm, 75°C) = 534 Density (g/cm³) = 1.00952 Volume (L) = 1.05321 - Viscosity (mPa s) = 0.39213 + Viscosity (mPa s) = 0.40864 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.067e-03 Mass of water (kg) = 9.945e-01 @@ -6835,10 +6835,10 @@ H2O(g) 0.95 8.858e+00 0.062 3.032e-01 3.161e-01 1.289e-02 pH = 2.973 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 631 + Specific Conductance (µS/cm, 75°C) = 559 Density (g/cm³) = 1.01356 Volume (L) = 1.05146 - Viscosity (mPa s) = 0.39458 + Viscosity (mPa s) = 0.41191 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.127e-03 Mass of water (kg) = 9.943e-01 @@ -6923,10 +6923,10 @@ H2O(g) 1.01 1.029e+01 0.057 3.161e-01 3.265e-01 1.039e-02 pH = 2.947 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 668 + Specific Conductance (µS/cm, 75°C) = 589 Density (g/cm³) = 1.01828 Volume (L) = 1.04924 - Viscosity (mPa s) = 0.39756 + Viscosity (mPa s) = 0.41578 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.199e-03 Mass of water (kg) = 9.941e-01 @@ -7085,10 +7085,10 @@ H2O(g) 0.06 1.139e+00 0.876 0.000e+00 3.985e-02 3.985e-02 pH = 3.544 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 206 + Specific Conductance (µS/cm, 100°C) = 204 Density (g/cm³) = 0.96086 Volume (L) = 1.05007 - Viscosity (mPa s) = 0.28224 + Viscosity (mPa s) = 0.28347 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.959e-04 Mass of water (kg) = 9.993e-01 @@ -7173,10 +7173,10 @@ H2O(g) 0.11 1.294e+00 0.779 3.985e-02 4.820e-02 8.351e-03 pH = 3.415 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 275 + Specific Conductance (µS/cm, 100°C) = 269 Density (g/cm³) = 0.96301 Volume (L) = 1.05579 - Viscosity (mPa s) = 0.28283 + Viscosity (mPa s) = 0.28506 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.994e-04 Mass of water (kg) = 9.991e-01 @@ -7261,10 +7261,10 @@ H2O(g) 0.17 1.466e+00 0.694 4.820e-02 5.803e-02 9.826e-03 pH = 3.348 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 318 + Specific Conductance (µS/cm, 100°C) = 309 Density (g/cm³) = 0.96485 Volume (L) = 1.06023 - Viscosity (mPa s) = 0.28336 + Viscosity (mPa s) = 0.28641 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.671e-04 Mass of water (kg) = 9.989e-01 @@ -7349,10 +7349,10 @@ H2O(g) 0.22 1.655e+00 0.620 5.803e-02 6.942e-02 1.140e-02 pH = 3.306 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 349 + Specific Conductance (µS/cm, 100°C) = 336 Density (g/cm³) = 0.96643 Volume (L) = 1.06363 - Viscosity (mPa s) = 0.28385 + Viscosity (mPa s) = 0.28757 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.160e-04 Mass of water (kg) = 9.987e-01 @@ -7437,10 +7437,10 @@ H2O(g) 0.27 1.861e+00 0.556 6.942e-02 8.247e-02 1.304e-02 pH = 3.276 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 371 + Specific Conductance (µS/cm, 100°C) = 356 Density (g/cm³) = 0.96781 Volume (L) = 1.06621 - Viscosity (mPa s) = 0.28430 + Viscosity (mPa s) = 0.28856 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.532e-04 Mass of water (kg) = 9.985e-01 @@ -7525,10 +7525,10 @@ H2O(g) 0.32 2.087e+00 0.500 8.247e-02 9.720e-02 1.473e-02 pH = 3.254 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 389 + Specific Conductance (µS/cm, 100°C) = 372 Density (g/cm³) = 0.96903 Volume (L) = 1.06815 - Viscosity (mPa s) = 0.28473 + Viscosity (mPa s) = 0.28944 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.828e-04 Mass of water (kg) = 9.982e-01 @@ -7613,10 +7613,10 @@ H2O(g) 0.37 2.335e+00 0.450 9.720e-02 1.136e-01 1.644e-02 pH = 3.237 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 403 + Specific Conductance (µS/cm, 100°C) = 384 Density (g/cm³) = 0.97013 Volume (L) = 1.06961 - Viscosity (mPa s) = 0.28513 + Viscosity (mPa s) = 0.29022 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.072e-04 Mass of water (kg) = 9.979e-01 @@ -7701,10 +7701,10 @@ H2O(g) 0.42 2.608e+00 0.406 1.136e-01 1.318e-01 1.813e-02 pH = 3.223 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 415 + Specific Conductance (µS/cm, 100°C) = 394 Density (g/cm³) = 0.97116 Volume (L) = 1.07070 - Viscosity (mPa s) = 0.28552 + Viscosity (mPa s) = 0.29094 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.282e-04 Mass of water (kg) = 9.976e-01 @@ -7789,10 +7789,10 @@ H2O(g) 0.46 2.909e+00 0.367 1.318e-01 1.516e-01 1.978e-02 pH = 3.210 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 426 + Specific Conductance (µS/cm, 100°C) = 404 Density (g/cm³) = 0.97214 Volume (L) = 1.07152 - Viscosity (mPa s) = 0.28591 + Viscosity (mPa s) = 0.29163 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.470e-04 Mass of water (kg) = 9.973e-01 @@ -7877,10 +7877,10 @@ H2O(g) 0.51 3.245e+00 0.332 1.516e-01 1.729e-01 2.137e-02 pH = 3.199 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 436 + Specific Conductance (µS/cm, 100°C) = 412 Density (g/cm³) = 0.97312 Volume (L) = 1.07212 - Viscosity (mPa s) = 0.28631 + Viscosity (mPa s) = 0.29231 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.646e-04 Mass of water (kg) = 9.969e-01 @@ -7965,10 +7965,10 @@ H2O(g) 0.56 3.622e+00 0.300 1.729e-01 1.958e-01 2.287e-02 pH = 3.188 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 446 + Specific Conductance (µS/cm, 100°C) = 420 Density (g/cm³) = 0.97413 Volume (L) = 1.07256 - Viscosity (mPa s) = 0.28674 + Viscosity (mPa s) = 0.29300 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.816e-04 Mass of water (kg) = 9.965e-01 @@ -8053,10 +8053,10 @@ H2O(g) 0.61 4.049e+00 0.271 1.958e-01 2.200e-01 2.423e-02 pH = 3.178 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 456 + Specific Conductance (µS/cm, 100°C) = 429 Density (g/cm³) = 0.97518 Volume (L) = 1.07286 - Viscosity (mPa s) = 0.28720 + Viscosity (mPa s) = 0.29372 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.987e-04 Mass of water (kg) = 9.960e-01 @@ -8141,10 +8141,10 @@ H2O(g) 0.66 4.535e+00 0.245 2.200e-01 2.454e-01 2.542e-02 pH = 3.167 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 466 + Specific Conductance (µS/cm, 100°C) = 437 Density (g/cm³) = 0.97632 Volume (L) = 1.07305 - Viscosity (mPa s) = 0.28771 + Viscosity (mPa s) = 0.29450 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.163e-04 Mass of water (kg) = 9.956e-01 @@ -8229,10 +8229,10 @@ H2O(g) 0.71 5.092e+00 0.220 2.454e-01 2.719e-01 2.641e-02 pH = 3.156 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 477 + Specific Conductance (µS/cm, 100°C) = 446 Density (g/cm³) = 0.97758 Volume (L) = 1.07312 - Viscosity (mPa s) = 0.28829 + Viscosity (mPa s) = 0.29535 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.349e-04 Mass of water (kg) = 9.951e-01 @@ -8317,10 +8317,10 @@ H2O(g) 0.76 5.733e+00 0.199 2.719e-01 2.990e-01 2.716e-02 pH = 3.145 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 488 + Specific Conductance (µS/cm, 100°C) = 455 Density (g/cm³) = 0.97898 Volume (L) = 1.07310 - Viscosity (mPa s) = 0.28895 + Viscosity (mPa s) = 0.29630 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.550e-04 Mass of water (kg) = 9.946e-01 @@ -8405,10 +8405,10 @@ H2O(g) 0.81 6.471e+00 0.179 2.990e-01 3.266e-01 2.761e-02 pH = 3.133 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 501 + Specific Conductance (µS/cm, 100°C) = 466 Density (g/cm³) = 0.98056 Volume (L) = 1.07296 - Viscosity (mPa s) = 0.28971 + Viscosity (mPa s) = 0.29736 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.770e-04 Mass of water (kg) = 9.941e-01 @@ -8493,10 +8493,10 @@ H2O(g) 0.86 7.324e+00 0.161 3.266e-01 3.544e-01 2.773e-02 pH = 3.120 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 514 + Specific Conductance (µS/cm, 100°C) = 477 Density (g/cm³) = 0.98235 Volume (L) = 1.07271 - Viscosity (mPa s) = 0.29059 + Viscosity (mPa s) = 0.29858 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.014e-04 Mass of water (kg) = 9.936e-01 @@ -8581,10 +8581,10 @@ H2O(g) 0.92 8.309e+00 0.145 3.544e-01 3.818e-01 2.746e-02 pH = 3.106 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 530 + Specific Conductance (µS/cm, 100°C) = 490 Density (g/cm³) = 0.98440 Volume (L) = 1.07232 - Viscosity (mPa s) = 0.29162 + Viscosity (mPa s) = 0.29997 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.287e-04 Mass of water (kg) = 9.931e-01 @@ -8669,10 +8669,10 @@ H2O(g) 0.98 9.444e+00 0.131 3.818e-01 4.086e-01 2.675e-02 pH = 3.090 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 547 + Specific Conductance (µS/cm, 100°C) = 505 Density (g/cm³) = 0.98676 Volume (L) = 1.07178 - Viscosity (mPa s) = 0.29282 + Viscosity (mPa s) = 0.30156 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.595e-04 Mass of water (kg) = 9.926e-01 @@ -8757,10 +8757,10 @@ H2O(g) 1.03 1.075e+01 0.119 4.086e-01 4.341e-01 2.555e-02 pH = 3.073 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 567 + Specific Conductance (µS/cm, 100°C) = 521 Density (g/cm³) = 0.98945 Volume (L) = 1.07105 - Viscosity (mPa s) = 0.29423 + Viscosity (mPa s) = 0.30340 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.945e-04 Mass of water (kg) = 9.922e-01 @@ -8845,10 +8845,10 @@ H2O(g) 1.09 1.224e+01 0.108 4.341e-01 4.579e-01 2.382e-02 pH = 3.055 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 589 + Specific Conductance (µS/cm, 100°C) = 539 Density (g/cm³) = 0.99255 Volume (L) = 1.07012 - Viscosity (mPa s) = 0.29589 + Viscosity (mPa s) = 0.30553 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.345e-04 Mass of water (kg) = 9.917e-01 @@ -8933,10 +8933,10 @@ H2O(g) 1.14 1.393e+01 0.099 4.579e-01 4.794e-01 2.150e-02 pH = 3.035 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 615 + Specific Conductance (µS/cm, 100°C) = 561 Density (g/cm³) = 0.99611 Volume (L) = 1.06893 - Viscosity (mPa s) = 0.29783 + Viscosity (mPa s) = 0.30800 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.805e-04 Mass of water (kg) = 9.913e-01 @@ -9021,10 +9021,10 @@ H2O(g) 1.20 1.584e+01 0.092 4.794e-01 4.980e-01 1.856e-02 pH = 3.012 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 645 + Specific Conductance (µS/cm, 100°C) = 585 Density (g/cm³) = 1.00020 Volume (L) = 1.06745 - Viscosity (mPa s) = 0.30012 + Viscosity (mPa s) = 0.31087 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.034e-03 Mass of water (kg) = 9.910e-01 @@ -9109,10 +9109,10 @@ H2O(g) 1.25 1.798e+01 0.086 4.980e-01 5.129e-01 1.495e-02 pH = 2.988 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 679 + Specific Conductance (µS/cm, 100°C) = 613 Density (g/cm³) = 1.00490 Volume (L) = 1.06562 - Viscosity (mPa s) = 0.30283 + Viscosity (mPa s) = 0.31421 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.095e-03 Mass of water (kg) = 9.907e-01 @@ -9197,10 +9197,10 @@ H2O(g) 1.31 2.035e+01 0.081 5.129e-01 5.236e-01 1.065e-02 pH = 2.961 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 719 + Specific Conductance (µS/cm, 100°C) = 646 Density (g/cm³) = 1.01027 Volume (L) = 1.06340 - Viscosity (mPa s) = 0.30602 + Viscosity (mPa s) = 0.31811 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.168e-03 Mass of water (kg) = 9.905e-01 @@ -9359,10 +9359,10 @@ H2O(g) 0.73 5.312e+00 0.869 0.000e+00 1.636e-01 1.636e-01 pH = 3.749 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 153 + Specific Conductance (µS/cm, 150°C) = 152 Density (g/cm³) = 0.91761 Volume (L) = 1.09645 - Viscosity (mPa s) = 0.18263 + Viscosity (mPa s) = 0.18303 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.944e-04 Mass of water (kg) = 9.970e-01 @@ -9447,10 +9447,10 @@ H2O(g) 0.77 5.933e+00 0.787 1.636e-01 1.909e-01 2.728e-02 pH = 3.608 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 208 + Specific Conductance (µS/cm, 150°C) = 206 Density (g/cm³) = 0.92107 Volume (L) = 1.10025 - Viscosity (mPa s) = 0.18396 + Viscosity (mPa s) = 0.18474 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.661e-04 Mass of water (kg) = 9.966e-01 @@ -9535,10 +9535,10 @@ H2O(g) 0.82 6.609e+00 0.714 1.909e-01 2.215e-01 3.061e-02 pH = 3.531 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 245 + Specific Conductance (µS/cm, 150°C) = 241 Density (g/cm³) = 0.92290 Volume (L) = 1.10475 - Viscosity (mPa s) = 0.18458 + Viscosity (mPa s) = 0.18568 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.159e-04 Mass of water (kg) = 9.960e-01 @@ -9623,10 +9623,10 @@ H2O(g) 0.87 7.346e+00 0.649 2.215e-01 2.554e-01 3.396e-02 pH = 3.481 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 272 + Specific Conductance (µS/cm, 150°C) = 266 Density (g/cm³) = 0.92463 Volume (L) = 1.10833 - Viscosity (mPa s) = 0.18517 + Viscosity (mPa s) = 0.18657 Activity of water = 0.989 Ionic strength (mol/kgw) = 3.543e-04 Mass of water (kg) = 9.954e-01 @@ -9711,10 +9711,10 @@ H2O(g) 0.91 8.150e+00 0.592 2.554e-01 2.927e-01 3.727e-02 pH = 3.444 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 293 + Specific Conductance (µS/cm, 150°C) = 286 Density (g/cm³) = 0.92627 Volume (L) = 1.11115 - Viscosity (mPa s) = 0.18574 + Viscosity (mPa s) = 0.18742 Activity of water = 0.987 Ionic strength (mol/kgw) = 3.857e-04 Mass of water (kg) = 9.947e-01 @@ -9799,10 +9799,10 @@ H2O(g) 0.96 9.027e+00 0.540 2.927e-01 3.332e-01 4.050e-02 pH = 3.415 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 311 + Specific Conductance (µS/cm, 150°C) = 303 Density (g/cm³) = 0.92785 Volume (L) = 1.11337 - Viscosity (mPa s) = 0.18630 + Viscosity (mPa s) = 0.18823 Activity of water = 0.985 Ionic strength (mol/kgw) = 4.124e-04 Mass of water (kg) = 9.940e-01 @@ -9887,10 +9887,10 @@ H2O(g) 1.00 9.986e+00 0.493 3.332e-01 3.768e-01 4.358e-02 pH = 3.391 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 327 + Specific Conductance (µS/cm, 150°C) = 317 Density (g/cm³) = 0.92940 Volume (L) = 1.11508 - Viscosity (mPa s) = 0.18685 + Viscosity (mPa s) = 0.18903 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.361e-04 Mass of water (kg) = 9.932e-01 @@ -9975,10 +9975,10 @@ H2O(g) 1.04 1.104e+01 0.451 3.768e-01 4.232e-01 4.644e-02 pH = 3.370 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 341 + Specific Conductance (µS/cm, 150°C) = 329 Density (g/cm³) = 0.93095 Volume (L) = 1.11639 - Viscosity (mPa s) = 0.18741 + Viscosity (mPa s) = 0.18982 Activity of water = 0.982 Ionic strength (mol/kgw) = 4.578e-04 Mass of water (kg) = 9.924e-01 @@ -10063,10 +10063,10 @@ H2O(g) 1.09 1.219e+01 0.413 4.232e-01 4.723e-01 4.904e-02 pH = 3.351 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 354 + Specific Conductance (µS/cm, 150°C) = 341 Density (g/cm³) = 0.93253 Volume (L) = 1.11737 - Viscosity (mPa s) = 0.18799 + Viscosity (mPa s) = 0.19062 Activity of water = 0.981 Ionic strength (mol/kgw) = 4.781e-04 Mass of water (kg) = 9.915e-01 @@ -10151,10 +10151,10 @@ H2O(g) 1.13 1.347e+01 0.379 4.723e-01 5.236e-01 5.129e-02 pH = 3.334 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 366 + Specific Conductance (µS/cm, 150°C) = 352 Density (g/cm³) = 0.93416 Volume (L) = 1.11808 - Viscosity (mPa s) = 0.18860 + Viscosity (mPa s) = 0.19145 Activity of water = 0.980 Ionic strength (mol/kgw) = 4.978e-04 Mass of water (kg) = 9.906e-01 @@ -10239,10 +10239,10 @@ H2O(g) 1.17 1.488e+01 0.347 5.236e-01 5.767e-01 5.314e-02 pH = 3.317 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 378 + Specific Conductance (µS/cm, 150°C) = 362 Density (g/cm³) = 0.93587 Volume (L) = 1.11857 - Viscosity (mPa s) = 0.18924 + Viscosity (mPa s) = 0.19232 Activity of water = 0.979 Ionic strength (mol/kgw) = 5.173e-04 Mass of water (kg) = 9.896e-01 @@ -10327,10 +10327,10 @@ H2O(g) 1.22 1.644e+01 0.319 5.767e-01 6.312e-01 5.451e-02 pH = 3.301 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 390 + Specific Conductance (µS/cm, 150°C) = 373 Density (g/cm³) = 0.93770 Volume (L) = 1.11887 - Viscosity (mPa s) = 0.18993 + Viscosity (mPa s) = 0.19325 Activity of water = 0.978 Ionic strength (mol/kgw) = 5.370e-04 Mass of water (kg) = 9.886e-01 @@ -10415,10 +10415,10 @@ H2O(g) 1.26 1.818e+01 0.293 6.312e-01 6.866e-01 5.533e-02 pH = 3.285 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 403 + Specific Conductance (µS/cm, 150°C) = 383 Density (g/cm³) = 0.93967 Volume (L) = 1.11900 - Viscosity (mPa s) = 0.19068 + Viscosity (mPa s) = 0.19425 Activity of water = 0.977 Ionic strength (mol/kgw) = 5.574e-04 Mass of water (kg) = 9.876e-01 @@ -10503,10 +10503,10 @@ H2O(g) 1.30 2.010e+01 0.270 6.866e-01 7.421e-01 5.552e-02 pH = 3.269 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 416 + Specific Conductance (µS/cm, 150°C) = 394 Density (g/cm³) = 0.94182 Volume (L) = 1.11899 - Viscosity (mPa s) = 0.19152 + Viscosity (mPa s) = 0.19534 Activity of water = 0.976 Ionic strength (mol/kgw) = 5.788e-04 Mass of water (kg) = 9.866e-01 @@ -10591,10 +10591,10 @@ H2O(g) 1.35 2.224e+01 0.248 7.421e-01 7.971e-01 5.501e-02 pH = 3.253 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 429 + Specific Conductance (µS/cm, 150°C) = 406 Density (g/cm³) = 0.94418 Volume (L) = 1.11886 - Viscosity (mPa s) = 0.19244 + Viscosity (mPa s) = 0.19655 Activity of water = 0.975 Ionic strength (mol/kgw) = 6.015e-04 Mass of water (kg) = 9.856e-01 @@ -10679,10 +10679,10 @@ H2O(g) 1.39 2.461e+01 0.229 7.971e-01 8.508e-01 5.372e-02 pH = 3.236 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 444 + Specific Conductance (µS/cm, 150°C) = 418 Density (g/cm³) = 0.94679 Volume (L) = 1.11862 - Viscosity (mPa s) = 0.19347 + Viscosity (mPa s) = 0.19789 Activity of water = 0.973 Ionic strength (mol/kgw) = 6.258e-04 Mass of water (kg) = 9.847e-01 @@ -10767,10 +10767,10 @@ H2O(g) 1.44 2.724e+01 0.213 8.508e-01 9.024e-01 5.159e-02 pH = 3.218 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 459 + Specific Conductance (µS/cm, 150°C) = 430 Density (g/cm³) = 0.94969 Volume (L) = 1.11827 - Viscosity (mPa s) = 0.19462 + Viscosity (mPa s) = 0.19937 Activity of water = 0.972 Ionic strength (mol/kgw) = 6.523e-04 Mass of water (kg) = 9.837e-01 @@ -10855,10 +10855,10 @@ H2O(g) 1.48 3.013e+01 0.198 9.024e-01 9.509e-01 4.856e-02 pH = 3.200 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 476 + Specific Conductance (µS/cm, 150°C) = 444 Density (g/cm³) = 0.95291 Volume (L) = 1.11783 - Viscosity (mPa s) = 0.19592 + Viscosity (mPa s) = 0.20104 Activity of water = 0.971 Ionic strength (mol/kgw) = 6.812e-04 Mass of water (kg) = 9.829e-01 @@ -10943,10 +10943,10 @@ H2O(g) 1.52 3.331e+01 0.184 9.509e-01 9.956e-01 4.461e-02 pH = 3.180 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 494 + Specific Conductance (µS/cm, 150°C) = 459 Density (g/cm³) = 0.95650 Volume (L) = 1.11731 - Viscosity (mPa s) = 0.19738 + Viscosity (mPa s) = 0.20291 Activity of water = 0.970 Ionic strength (mol/kgw) = 7.129e-04 Mass of water (kg) = 9.821e-01 @@ -11031,10 +11031,10 @@ H2O(g) 1.57 3.677e+01 0.173 9.956e-01 1.035e+00 3.972e-02 pH = 3.160 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 514 + Specific Conductance (µS/cm, 150°C) = 475 Density (g/cm³) = 0.96050 Volume (L) = 1.11672 - Viscosity (mPa s) = 0.19903 + Viscosity (mPa s) = 0.20501 Activity of water = 0.969 Ionic strength (mol/kgw) = 7.479e-04 Mass of water (kg) = 9.813e-01 @@ -11119,10 +11119,10 @@ H2O(g) 1.61 4.052e+01 0.164 1.035e+00 1.069e+00 3.389e-02 pH = 3.138 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 536 + Specific Conductance (µS/cm, 150°C) = 492 Density (g/cm³) = 0.96495 Volume (L) = 1.11608 - Viscosity (mPa s) = 0.20089 + Viscosity (mPa s) = 0.20738 Activity of water = 0.967 Ionic strength (mol/kgw) = 7.867e-04 Mass of water (kg) = 9.807e-01 @@ -11207,10 +11207,10 @@ H2O(g) 1.65 4.454e+01 0.156 1.069e+00 1.096e+00 2.717e-02 pH = 3.116 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 559 + Specific Conductance (µS/cm, 150°C) = 511 Density (g/cm³) = 0.96989 Volume (L) = 1.11541 - Viscosity (mPa s) = 0.20299 + Viscosity (mPa s) = 0.21004 Activity of water = 0.966 Ionic strength (mol/kgw) = 8.298e-04 Mass of water (kg) = 9.802e-01 @@ -11295,10 +11295,10 @@ H2O(g) 1.69 4.881e+01 0.150 1.096e+00 1.116e+00 1.965e-02 pH = 3.092 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 585 + Specific Conductance (µS/cm, 150°C) = 530 Density (g/cm³) = 0.97537 Volume (L) = 1.11475 - Viscosity (mPa s) = 0.20536 + Viscosity (mPa s) = 0.21303 Activity of water = 0.964 Ionic strength (mol/kgw) = 8.778e-04 Mass of water (kg) = 9.799e-01 @@ -11383,10 +11383,10 @@ H2O(g) 1.73 5.330e+01 0.146 1.116e+00 1.127e+00 1.145e-02 pH = 3.067 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 613 + Specific Conductance (µS/cm, 150°C) = 552 Density (g/cm³) = 0.98141 Volume (L) = 1.11414 - Viscosity (mPa s) = 0.20801 + Viscosity (mPa s) = 0.21640 Activity of water = 0.963 Ionic strength (mol/kgw) = 9.312e-04 Mass of water (kg) = 9.797e-01 @@ -11471,10 +11471,10 @@ H2O(g) 1.76 5.794e+01 0.143 1.127e+00 1.130e+00 2.741e-03 pH = 3.041 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 644 + Specific Conductance (µS/cm, 150°C) = 574 Density (g/cm³) = 0.98805 Volume (L) = 1.11366 - Viscosity (mPa s) = 0.21099 + Viscosity (mPa s) = 0.22018 Activity of water = 0.961 Ionic strength (mol/kgw) = 9.906e-04 Mass of water (kg) = 9.796e-01 diff --git a/mytest/CO2_conc_PR_GP1_101.sel b/mytest/CO2_conc_PR_GP1_101.sel index 571565baf..09f43d9bc 100644 --- a/mytest/CO2_conc_PR_GP1_101.sel +++ b/mytest/CO2_conc_PR_GP1_101.sel @@ -1,132 +1,132 @@ Mu SC - 0.000000100645 0.0546913894 - 0.000452028281 170.7665896348 - 0.000607231590 224.2331044626 - 0.000701179159 254.7828120552 - 0.000759336156 273.0148473828 - 0.000793855250 283.6366879560 - 0.000812673423 289.3980860847 - 0.000821410502 292.0837990865 - 0.000824013136 292.8909385480 - 0.000823997891 292.8870054496 - 0.000823736461 292.8113070517 - 0.000823234706 292.6667318793 - 0.000822568883 292.4750304876 - 0.000821858796 292.2704538634 - 0.000821237771 292.0912049846 - 0.000820841177 291.9761478514 - 0.000823558890 292.9234532594 - 0.000831983502 295.8741905736 - 0.000843993517 300.1281298445 - 0.000860233274 305.9432913789 - 0.000881505252 313.6419727285 - 0.000908834273 323.6366908895 - 0.000943556531 336.4663059423 - 0.000987448823 352.8482297852 - 0.001042923670 373.7564864180 - 0.001113335511 400.5425846616 - 0.001203481641 435.1303342833 + 0.000000100645 0.0546913895 + 0.000452028281 155.3704129807 + 0.000607231590 189.8026328311 + 0.000701179159 204.7601068076 + 0.000759336156 211.9769286534 + 0.000793855250 215.6611259938 + 0.000812673423 217.5561462838 + 0.000821410502 218.4440522633 + 0.000824013136 218.7206695242 + 0.000823997891 218.7205676000 + 0.000823736461 218.7030765781 + 0.000823234706 218.6708442271 + 0.000822568883 218.6283178420 + 0.000821858796 218.5826676429 + 0.000821237771 218.5420707485 + 0.000820841177 218.5150054301 + 0.000823558890 219.0034693644 + 0.000831983502 220.5404972218 + 0.000843993517 222.8114407695 + 0.000860233274 225.9834155728 + 0.000881505252 230.2626991949 + 0.000908834273 235.9105571682 + 0.000943556531 243.2656650025 + 0.000987448823 252.7768936835 + 0.001042923670 265.0529014623 + 0.001113335511 280.9399543506 + 0.001203481641 301.6493612032 0.000000234097 0.1699348121 - 0.000410993200 208.1332292542 - 0.000549962988 273.7257939223 - 0.000635472046 312.3181069585 - 0.000691667698 336.9093234989 - 0.000729359115 353.0857035897 - 0.000754897512 363.9312547140 - 0.000772438413 371.3500136841 - 0.000784820562 376.5886785464 - 0.000794024588 380.4953530120 - 0.000801457886 383.6663920939 - 0.000808144993 386.5365541361 - 0.000814858099 389.4370606407 - 0.000822207783 392.6344154969 - 0.000830707404 396.3574359673 - 0.000840820442 400.8171087698 - 0.000852997429 406.2222791582 - 0.000867707215 412.7932700901 - 0.000885466342 420.7750347434 - 0.000906869746 430.4512466704 - 0.000932626096 442.1607781184 - 0.000963601609 456.3183006439 - 0.001000877610 473.4412472492 - 0.001045829361 494.1867997218 - 0.001100237713 519.4033460982 - 0.001166452921 550.2053190917 - 0.000001077676 0.7720711294 - 0.000355053737 218.0824564242 - 0.000476379982 288.3353511635 - 0.000553186141 331.0798050167 - 0.000606246413 359.7602255496 - 0.000644567445 380.0503920830 - 0.000673236037 395.0198968886 - 0.000695489021 406.5373319324 - 0.000713519969 415.8221543967 - 0.000728877180 423.7108946712 - 0.000742691703 430.8028989635 - 0.000755820310 437.5470252544 - 0.000768940358 444.2963997124 - 0.000782615440 451.3448033870 - 0.000797342780 458.9521483352 - 0.000813589301 467.3634482029 - 0.000831821016 476.8240696879 - 0.000852529119 487.5931595216 - 0.000876255429 499.9566479968 - 0.000903619702 514.2412119643 - 0.000935351118 530.8300825808 - 0.000972327230 550.1825594138 - 0.001015624147 572.8586930497 - 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0.000266054386 208.4260893697 - 0.000315856483 245.0438478847 - 0.000354269494 272.2910859419 - 0.000385666290 293.9027837728 - 0.000412447114 311.8799074809 - 0.000436129287 327.4456485475 - 0.000457761402 341.4134872728 - 0.000478117004 354.3595646029 - 0.000497798757 366.7143998573 - 0.000517300276 378.8160226851 - 0.000537045789 390.9428297846 - 0.000557417154 403.3348687760 - 0.000578773283 416.2081617742 - 0.000601464757 429.7645324893 - 0.000625845255 444.1983266273 - 0.000652280905 459.7009599363 - 0.000681157889 476.4633215885 - 0.000712888885 494.6765336939 - 0.000747918182 514.5307000208 - 0.000786725340 536.2113348121 - 0.000829827251 559.8934639902 - 0.000877777212 585.7318930792 - 0.000931160842 613.8483875696 - 0.000990586223 644.3140527917 + 0.000410993200 200.7047609559 + 0.000549962988 256.6464057508 + 0.000635472046 286.7452314274 + 0.000691667698 304.6733171811 + 0.000729359115 315.9333970103 + 0.000754897512 323.2738660602 + 0.000772438413 328.2250503669 + 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0.000782615440 415.0616723314 + 0.000797342780 421.1227392007 + 0.000813589301 427.8357772920 + 0.000831821016 435.3991927346 + 0.000852529119 444.0226563785 + 0.000876255429 453.9374184570 + 0.000903619702 465.4074607445 + 0.000935351118 478.7419637793 + 0.000972327230 494.3108935456 + 0.001015624147 512.5646533670 + 0.001066583822 534.0601256165 + 0.001126907094 559.4960830175 + 0.001198786593 589.7630576939 + 0.000002945351 2.4460046923 + 0.000295906762 204.4030036215 + 0.000399425774 269.7083806114 + 0.000467140906 309.6123870325 + 0.000515996500 336.8864253922 + 0.000553200173 356.7974113815 + 0.000582752757 372.1108834383 + 0.000607178536 384.4635149992 + 0.000628193551 394.9005892777 + 0.000647026592 404.1298898756 + 0.000664596988 412.6562867518 + 0.000681623091 420.8589549687 + 0.000698693190 429.0384789906 + 0.000716314561 437.4471918427 + 0.000734949273 446.3098223405 + 0.000755041964 455.8383957413 + 0.000777043056 466.2440012833 + 0.000801429604 477.7463999524 + 0.000828725937 490.5831824896 + 0.000859525541 505.0187309784 + 0.000894515969 521.3538993100 + 0.000934508683 539.9369818414 + 0.000980476337 561.1767573717 + 0.001033601173 585.5590163467 + 0.001095339444 613.6676808562 + 0.001167511368 646.2152849647 + 0.000011900769 11.8606839897 + 0.000194378112 152.5742409639 + 0.000266054386 206.1127236286 + 0.000315856483 241.1807683327 + 0.000354269494 266.8600934048 + 0.000385666290 286.9297799270 + 0.000412447114 303.4003636698 + 0.000436129287 317.4869865561 + 0.000457761402 329.9858086231 + 0.000478117004 341.4506054588 + 0.000497798757 352.2865402056 + 0.000517300276 362.8041121149 + 0.000537045789 373.2521280377 + 0.000557417154 383.8386806924 + 0.000578773283 394.7449143728 + 0.000601464757 406.1341205612 + 0.000625845255 418.1575922022 + 0.000652280905 430.9582140015 + 0.000681157889 444.6717647355 + 0.000712888885 459.4264934502 + 0.000747918182 475.3405696967 + 0.000786725340 492.5171061716 + 0.000829827251 511.0368530838 + 0.000877777212 530.9469954002 + 0.000931160842 552.2471186869 + 0.000990586223 574.8706337607 diff --git a/mytest/CO2_conc_PR_GP_101.sel b/mytest/CO2_conc_PR_GP_101.sel index 6a2805278..315c2327d 100644 --- a/mytest/CO2_conc_PR_GP_101.sel +++ b/mytest/CO2_conc_PR_GP_101.sel @@ -1,106 +1,106 @@ Mu SC 0.000000100661 0.0546997340 - 0.000445998504 168.6081330481 - 0.000598905523 221.3253981759 - 0.000691567909 251.4575889271 - 0.000749060203 269.4654949390 - 0.000783282216 279.9791575114 - 0.000802003035 285.6990492104 - 0.000810742906 288.3796129153 - 0.000813393708 289.1998663248 - 0.000813392684 289.2003164127 - 0.000813140356 289.1274421573 - 0.000812650584 288.9867176698 - 0.000811996846 288.7990357519 - 0.000811296469 288.5978380105 - 0.000810680517 288.4205672795 - 0.000810282304 288.3053862290 - 0.000812760900 289.1695940938 - 0.000820925850 292.0279966817 - 0.000832573175 296.1522930156 - 0.000848316955 301.7894605178 - 0.000868916012 309.2458645637 - 0.000895330639 318.9105080387 - 0.000928799765 331.2868189334 - 0.000970950497 347.0376729038 - 0.001023959818 367.0512131935 - 0.001090802222 392.5402116494 - 0.001175644152 425.1976671724 - 0.000000234097 0.1697457188 - 0.000405898183 205.6156344767 - 0.000543169031 270.4999309979 - 0.000627617947 308.7147266373 - 0.000683065630 333.0757647865 - 0.000720206069 349.0993872534 - 0.000745337724 359.8387360338 - 0.000762580861 367.1819645059 - 0.000774744667 372.3659688274 - 0.000783784240 376.2318242880 - 0.000791085631 379.3704300909 - 0.000797655919 382.2121108665 - 0.000804252938 385.0843325185 - 0.000811475043 388.2502512135 - 0.000819824479 391.9354879326 - 0.000829753725 396.3477111971 - 0.000841701333 401.6920028531 - 0.000856121935 408.1840558353 - 0.000873513974 416.0627323129 - 0.000894448184 425.6033017145 - 0.000919599582 437.1326039387 - 0.000949786333 451.0476246648 - 0.000986019531 467.8393171623 - 0.001029569685 488.1242322340 - 0.001082058502 512.6876787844 - 0.001145589419 542.5440569411 - 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0.000546177003 368.0615725559 - 0.000575470520 385.5531706916 - 0.000599687278 399.8354848742 - 0.000620518916 412.0126197334 - 0.000639179286 422.8521146967 - 0.000656577728 432.9143069658 - 0.000673425067 442.6284096824 - 0.000690303098 452.3402794358 - 0.000707712671 462.3441202296 - 0.000726108725 472.9046922905 - 0.000745927321 484.2738201231 - 0.000767607858 496.7034963848 - 0.000791612808 510.4571030996 - 0.000818446619 525.8197747385 - 0.000848675218 543.1086759359 - 0.000882947430 562.6838140088 - 0.000922019681 584.9599395199 - 0.000966785619 610.4200962133 - 0.001018312790 639.6315215134 - 0.001077889504 673.2650615351 - 0.001147087220 712.1206879972 + 0.000445998504 157.2125135283 + 0.000598905523 195.8058943316 + 0.000691567909 214.2790066205 + 0.000749060203 223.9897517621 + 0.000783282216 229.2448567387 + 0.000802003035 232.0178549649 + 0.000810742906 233.3190269741 + 0.000813393708 233.7246312545 + 0.000813392684 233.7257712173 + 0.000813140356 233.6959852241 + 0.000812650584 233.6393810999 + 0.000811996846 233.5640562289 + 0.000811296469 233.4831035729 + 0.000810680517 233.4113235424 + 0.000810282304 233.3639277253 + 0.000812760900 233.9076793515 + 0.000820925850 235.7150915092 + 0.000832573175 238.3638843903 + 0.000848316955 242.0343052809 + 0.000868916012 246.9479746649 + 0.000895330639 253.3840989572 + 0.000928799765 261.7018786239 + 0.000970950497 272.3725338867 + 0.001023959818 286.0265317339 + 0.001090802222 303.5256312764 + 0.001175644152 326.0771963694 + 0.000000234097 0.1697457187 + 0.000405898183 200.1374134414 + 0.000543169031 258.1651326734 + 0.000627617947 290.4307606927 + 0.000683065630 310.1684618656 + 0.000720206069 322.8036560743 + 0.000745337724 331.1383214947 + 0.000762580861 336.7934913697 + 0.000774744667 340.7773302542 + 0.000783784240 343.7525798387 + 0.000791085631 346.1769686610 + 0.000797655919 348.3826934966 + 0.000804252938 350.6242222665 + 0.000811475043 353.1087001815 + 0.000819824479 356.0164639637 + 0.000829753725 359.5158785095 + 0.000841701333 363.7750204260 + 0.000856121935 368.9718499435 + 0.000873513974 375.3040613889 + 0.000894448184 382.9996236162 + 0.000919599582 392.3289990610 + 0.000949786333 403.6202089199 + 0.000986019531 417.2782379898 + 0.001029569685 433.8108728388 + 0.001082058502 453.8640528148 + 0.001145589419 478.2714449297 + 0.000001077676 0.7762111840 + 0.000350522171 212.5133360699 + 0.000470283925 278.2482189574 + 0.000546151488 317.2074348711 + 0.000598581883 342.8496493326 + 0.000636445747 360.7431877467 + 0.000664762906 373.8209424494 + 0.000686732985 383.8211985698 + 0.000704525877 391.8525565778 + 0.000719672920 398.6619714991 + 0.000733291948 404.7777825908 + 0.000746228802 410.5923813878 + 0.000759151247 416.4129915970 + 0.000772613861 422.4945860322 + 0.000787104709 429.0624379698 + 0.000803080615 436.3285864094 + 0.000820995620 444.5048233287 + 0.000841325806 453.8138767861 + 0.000864593071 464.5000132965 + 0.000891389913 476.8400001582 + 0.000922407356 491.1553122141 + 0.000958468361 507.8264945023 + 0.001000569625 527.3107457397 + 0.001049935708 550.1640678690 + 0.001108091191 577.0698016532 + 0.001176959537 608.8761935289 + 0.000002945354 2.4664461839 + 0.000292007269 202.8289458147 + 0.000394103622 268.4611178322 + 0.000460989255 309.1007583436 + 0.000509324794 337.2175272555 + 0.000546177003 357.9567261983 + 0.000575470520 374.0402622314 + 0.000599687278 387.0976244095 + 0.000620518916 398.1831928380 + 0.000639179286 408.0202129503 + 0.000656577728 417.1307379862 + 0.000673425067 425.9109029537 + 0.000690303098 434.6774142831 + 0.000707712671 443.6978921410 + 0.000726108725 453.2117720731 + 0.000745927321 463.4455778880 + 0.000767607858 474.6248335126 + 0.000791612808 486.9840731502 + 0.000818446619 500.7759070817 + 0.000848675218 516.2798344476 + 0.000882947430 533.8113292998 + 0.000922019681 553.7316407185 + 0.000966785619 576.4587280689 + 0.001018312790 602.4798493457 + 0.001077889504 632.3667065560 + 0.001147087220 666.7953102235 diff --git a/mytest/CO2_conc_PR_IS.out b/mytest/CO2_conc_PR_IS.out index 91103ebf4..d34589f3d 100644 --- a/mytest/CO2_conc_PR_IS.out +++ b/mytest/CO2_conc_PR_IS.out @@ -145,7 +145,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 50 Density (g/cm³) = 0.99741 Volume (L) = 1.00425 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.89286 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.303e-04 Mass of water (kg) = 1.000e+00 @@ -219,10 +219,10 @@ Initial solution 1. pH = 3.277 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 201 + Specific Conductance (µS/cm, 25°C) = 182 Density (g/cm³) = 1.00394 Volume (L) = 1.02385 - Viscosity (mPa s) = 0.88999 + Viscosity (mPa s) = 0.93405 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.416e-04 Mass of water (kg) = 1.000e+00 @@ -296,10 +296,10 @@ Initial solution 1. pH = 3.162 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 256 + Specific Conductance (µS/cm, 25°C) = 217 Density (g/cm³) = 1.00885 Volume (L) = 1.03815 - Viscosity (mPa s) = 0.88980 + Viscosity (mPa s) = 0.96395 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.084e-04 Mass of water (kg) = 1.000e+00 @@ -373,10 +373,10 @@ Initial solution 1. pH = 3.109 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 285 + Specific Conductance (µS/cm, 25°C) = 232 Density (g/cm³) = 1.01227 Volume (L) = 1.04712 - Viscosity (mPa s) = 0.88958 + Viscosity (mPa s) = 0.98312 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.022e-04 Mass of water (kg) = 1.000e+00 @@ -450,10 +450,10 @@ Initial solution 1. pH = 3.096 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 293 + Specific Conductance (µS/cm, 25°C) = 236 Density (g/cm³) = 1.01363 Volume (L) = 1.04808 - Viscosity (mPa s) = 0.88935 + Viscosity (mPa s) = 0.98657 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.265e-04 Mass of water (kg) = 1.000e+00 @@ -527,10 +527,10 @@ Initial solution 1. pH = 3.087 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 300 + Specific Conductance (µS/cm, 25°C) = 240 Density (g/cm³) = 1.01476 Volume (L) = 1.04818 - Viscosity (mPa s) = 0.88914 + Viscosity (mPa s) = 0.98831 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.438e-04 Mass of water (kg) = 1.000e+00 @@ -604,10 +604,10 @@ Initial solution 1. pH = 3.079 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 305 + Specific Conductance (µS/cm, 25°C) = 244 Density (g/cm³) = 1.01585 Volume (L) = 1.04814 - Viscosity (mPa s) = 0.88893 + Viscosity (mPa s) = 0.98981 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.602e-04 Mass of water (kg) = 1.000e+00 @@ -681,10 +681,10 @@ Initial solution 1. pH = 3.071 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 311 + Specific Conductance (µS/cm, 25°C) = 248 Density (g/cm³) = 1.01691 Volume (L) = 1.04802 - Viscosity (mPa s) = 0.88874 + Viscosity (mPa s) = 0.99116 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.761e-04 Mass of water (kg) = 1.000e+00 @@ -758,10 +758,10 @@ Initial solution 1. pH = 3.064 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 317 + Specific Conductance (µS/cm, 25°C) = 252 Density (g/cm³) = 1.01796 Volume (L) = 1.04785 - Viscosity (mPa s) = 0.88856 + Viscosity (mPa s) = 0.99241 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.916e-04 Mass of water (kg) = 1.000e+00 @@ -835,10 +835,10 @@ Initial solution 1. pH = 3.056 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 323 + Specific Conductance (µS/cm, 25°C) = 255 Density (g/cm³) = 1.01899 Volume (L) = 1.04763 - Viscosity (mPa s) = 0.88840 + Viscosity (mPa s) = 0.99356 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.069e-04 Mass of water (kg) = 1.000e+00 @@ -912,10 +912,10 @@ Initial solution 1. pH = 3.049 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 328 + Specific Conductance (µS/cm, 25°C) = 259 Density (g/cm³) = 1.02001 Volume (L) = 1.04737 - Viscosity (mPa s) = 0.88825 + Viscosity (mPa s) = 0.99466 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.219e-04 Mass of water (kg) = 1.000e+00 @@ -989,10 +989,10 @@ Initial solution 1. pH = 3.043 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 334 + Specific Conductance (µS/cm, 25°C) = 263 Density (g/cm³) = 1.02102 Volume (L) = 1.04708 - Viscosity (mPa s) = 0.88811 + Viscosity (mPa s) = 0.99570 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.367e-04 Mass of water (kg) = 1.000e+00 @@ -1066,10 +1066,10 @@ Initial solution 1. pH = 3.036 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 339 + Specific Conductance (µS/cm, 25°C) = 267 Density (g/cm³) = 1.02201 Volume (L) = 1.04676 - Viscosity (mPa s) = 0.88799 + Viscosity (mPa s) = 0.99669 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.514e-04 Mass of water (kg) = 1.000e+00 @@ -1143,10 +1143,10 @@ Initial solution 1. pH = 3.029 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 344 + Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 1.02300 Volume (L) = 1.04642 - Viscosity (mPa s) = 0.88788 + Viscosity (mPa s) = 0.99764 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.660e-04 Mass of water (kg) = 1.000e+00 @@ -1220,10 +1220,10 @@ Initial solution 1. pH = 3.023 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 350 + Specific Conductance (µS/cm, 25°C) = 274 Density (g/cm³) = 1.02397 Volume (L) = 1.04606 - Viscosity (mPa s) = 0.88778 + Viscosity (mPa s) = 0.99857 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.805e-04 Mass of water (kg) = 1.000e+00 @@ -1297,10 +1297,10 @@ Initial solution 1. pH = 3.017 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 355 + Specific Conductance (µS/cm, 25°C) = 278 Density (g/cm³) = 1.02494 Volume (L) = 1.04568 - Viscosity (mPa s) = 0.88770 + Viscosity (mPa s) = 0.99945 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.949e-04 Mass of water (kg) = 1.000e+00 @@ -1374,10 +1374,10 @@ Initial solution 1. pH = 3.011 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 361 + Specific Conductance (µS/cm, 25°C) = 281 Density (g/cm³) = 1.02589 Volume (L) = 1.04528 - Viscosity (mPa s) = 0.88763 + Viscosity (mPa s) = 1.00031 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.009e-03 Mass of water (kg) = 1.000e+00 @@ -1451,10 +1451,10 @@ Initial solution 1. pH = 3.005 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 366 + Specific Conductance (µS/cm, 25°C) = 285 Density (g/cm³) = 1.02684 Volume (L) = 1.04488 - Viscosity (mPa s) = 0.88757 + Viscosity (mPa s) = 1.00117 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.024e-03 Mass of water (kg) = 1.000e+00 @@ -1528,10 +1528,10 @@ Initial solution 1. pH = 2.999 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 372 + Specific Conductance (µS/cm, 25°C) = 289 Density (g/cm³) = 1.02778 Volume (L) = 1.04445 - Viscosity (mPa s) = 0.88753 + Viscosity (mPa s) = 1.00199 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.038e-03 Mass of water (kg) = 1.000e+00 @@ -1605,10 +1605,10 @@ Initial solution 1. pH = 2.993 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 377 + Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 1.02871 Volume (L) = 1.04401 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00279 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.052e-03 Mass of water (kg) = 1.000e+00 @@ -1682,10 +1682,10 @@ Initial solution 1. pH = 2.987 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 382 + Specific Conductance (µS/cm, 25°C) = 296 Density (g/cm³) = 1.02964 Volume (L) = 1.04357 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00360 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.066e-03 Mass of water (kg) = 1.000e+00 @@ -1759,10 +1759,10 @@ Initial solution 1. pH = 2.981 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 388 + Specific Conductance (µS/cm, 25°C) = 300 Density (g/cm³) = 1.03056 Volume (L) = 1.04311 - Viscosity (mPa s) = 0.88748 + Viscosity (mPa s) = 1.00438 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.081e-03 Mass of water (kg) = 1.000e+00 @@ -1836,10 +1836,10 @@ Initial solution 1. pH = 2.976 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 393 + Specific Conductance (µS/cm, 25°C) = 304 Density (g/cm³) = 1.03146 Volume (L) = 1.04264 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00514 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.095e-03 Mass of water (kg) = 1.000e+00 @@ -1913,10 +1913,10 @@ Initial solution 1. pH = 2.970 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 399 + Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 1.03237 Volume (L) = 1.04218 - Viscosity (mPa s) = 0.88752 + Viscosity (mPa s) = 1.00591 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.109e-03 Mass of water (kg) = 1.000e+00 @@ -1990,10 +1990,10 @@ Initial solution 1. pH = 2.965 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 404 + Specific Conductance (µS/cm, 25°C) = 311 Density (g/cm³) = 1.03327 Volume (L) = 1.04169 - Viscosity (mPa s) = 0.88756 + Viscosity (mPa s) = 1.00666 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.123e-03 Mass of water (kg) = 1.000e+00 @@ -2067,10 +2067,10 @@ Initial solution 1. pH = 2.959 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 410 + Specific Conductance (µS/cm, 25°C) = 315 Density (g/cm³) = 1.03416 Volume (L) = 1.04120 - Viscosity (mPa s) = 0.88761 + Viscosity (mPa s) = 1.00741 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.137e-03 Mass of water (kg) = 1.000e+00 @@ -2236,10 +2236,10 @@ Initial solution 1. pH = 3.979 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 55 + Specific Conductance (µS/cm, 50°C) = 54 Density (g/cm³) = 0.98822 Volume (L) = 1.01288 - Viscosity (mPa s) = 0.54656 + Viscosity (mPa s) = 0.54719 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.063e-04 Mass of water (kg) = 1.000e+00 @@ -2313,10 +2313,10 @@ Initial solution 1. pH = 3.359 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 226 + Specific Conductance (µS/cm, 50°C) = 218 Density (g/cm³) = 0.99212 Volume (L) = 1.02457 - Viscosity (mPa s) = 0.54707 + Viscosity (mPa s) = 0.55590 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.486e-04 Mass of water (kg) = 1.000e+00 @@ -2390,10 +2390,10 @@ Initial solution 1. pH = 3.236 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 295 + Specific Conductance (µS/cm, 50°C) = 279 Density (g/cm³) = 0.99538 Volume (L) = 1.03386 - Viscosity (mPa s) = 0.54752 + Viscosity (mPa s) = 0.56273 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.971e-04 Mass of water (kg) = 1.000e+00 @@ -2467,10 +2467,10 @@ Initial solution 1. pH = 3.173 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 336 + Specific Conductance (µS/cm, 50°C) = 313 Density (g/cm³) = 0.99806 Volume (L) = 1.04080 - Viscosity (mPa s) = 0.54795 + Viscosity (mPa s) = 0.56801 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.919e-04 Mass of water (kg) = 1.000e+00 @@ -2544,10 +2544,10 @@ Initial solution 1. pH = 3.136 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 363 + Specific Conductance (µS/cm, 50°C) = 334 Density (g/cm³) = 1.00019 Volume (L) = 1.04546 - Viscosity (mPa s) = 0.54838 + Viscosity (mPa s) = 0.57186 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.550e-04 Mass of water (kg) = 1.000e+00 @@ -2621,10 +2621,10 @@ Initial solution 1. pH = 3.114 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 380 + Specific Conductance (µS/cm, 50°C) = 347 Density (g/cm³) = 1.00182 Volume (L) = 1.04797 - Viscosity (mPa s) = 0.54880 + Viscosity (mPa s) = 0.57438 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.949e-04 Mass of water (kg) = 1.000e+00 @@ -2698,10 +2698,10 @@ Initial solution 1. pH = 3.100 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 392 + Specific Conductance (µS/cm, 50°C) = 356 Density (g/cm³) = 1.00310 Volume (L) = 1.04896 - Viscosity (mPa s) = 0.54922 + Viscosity (mPa s) = 0.57599 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.204e-04 Mass of water (kg) = 1.000e+00 @@ -2775,10 +2775,10 @@ Initial solution 1. pH = 3.089 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 401 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00425 Volume (L) = 1.04941 - Viscosity (mPa s) = 0.54965 + Viscosity (mPa s) = 0.57727 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.409e-04 Mass of water (kg) = 1.000e+00 @@ -2852,10 +2852,10 @@ Initial solution 1. pH = 3.080 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 409 + Specific Conductance (µS/cm, 50°C) = 369 Density (g/cm³) = 1.00534 Volume (L) = 1.04963 - Viscosity (mPa s) = 0.55007 + Viscosity (mPa s) = 0.57841 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.595e-04 Mass of water (kg) = 1.000e+00 @@ -2929,10 +2929,10 @@ Initial solution 1. pH = 3.071 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 417 + Specific Conductance (µS/cm, 50°C) = 376 Density (g/cm³) = 1.00641 Volume (L) = 1.04972 - Viscosity (mPa s) = 0.55050 + Viscosity (mPa s) = 0.57947 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.768e-04 Mass of water (kg) = 1.000e+00 @@ -3006,10 +3006,10 @@ Initial solution 1. pH = 3.063 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 424 + Specific Conductance (µS/cm, 50°C) = 382 Density (g/cm³) = 1.00744 Volume (L) = 1.04971 - Viscosity (mPa s) = 0.55093 + Viscosity (mPa s) = 0.58047 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.934e-04 Mass of water (kg) = 1.000e+00 @@ -3083,10 +3083,10 @@ Initial solution 1. pH = 3.056 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 432 + Specific Conductance (µS/cm, 50°C) = 388 Density (g/cm³) = 1.00846 Volume (L) = 1.04964 - Viscosity (mPa s) = 0.55136 + Viscosity (mPa s) = 0.58144 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.094e-04 Mass of water (kg) = 1.000e+00 @@ -3160,10 +3160,10 @@ Initial solution 1. pH = 3.049 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 439 + Specific Conductance (µS/cm, 50°C) = 393 Density (g/cm³) = 1.00946 Volume (L) = 1.04951 - Viscosity (mPa s) = 0.55180 + Viscosity (mPa s) = 0.58237 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.250e-04 Mass of water (kg) = 1.000e+00 @@ -3237,10 +3237,10 @@ Initial solution 1. pH = 3.042 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 446 + Specific Conductance (µS/cm, 50°C) = 399 Density (g/cm³) = 1.01044 Volume (L) = 1.04933 - Viscosity (mPa s) = 0.55224 + Viscosity (mPa s) = 0.58328 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.403e-04 Mass of water (kg) = 1.000e+00 @@ -3314,10 +3314,10 @@ Initial solution 1. pH = 3.035 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 453 + Specific Conductance (µS/cm, 50°C) = 405 Density (g/cm³) = 1.01142 Volume (L) = 1.04912 - Viscosity (mPa s) = 0.55268 + Viscosity (mPa s) = 0.58417 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.553e-04 Mass of water (kg) = 1.000e+00 @@ -3391,10 +3391,10 @@ Initial solution 1. pH = 3.028 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 460 + Specific Conductance (µS/cm, 50°C) = 410 Density (g/cm³) = 1.01238 Volume (L) = 1.04888 - Viscosity (mPa s) = 0.55313 + Viscosity (mPa s) = 0.58504 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.700e-04 Mass of water (kg) = 1.000e+00 @@ -3468,10 +3468,10 @@ Initial solution 1. pH = 3.022 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 466 + Specific Conductance (µS/cm, 50°C) = 416 Density (g/cm³) = 1.01333 Volume (L) = 1.04861 - Viscosity (mPa s) = 0.55357 + Viscosity (mPa s) = 0.58589 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.846e-04 Mass of water (kg) = 1.000e+00 @@ -3545,10 +3545,10 @@ Initial solution 1. pH = 3.016 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 473 + Specific Conductance (µS/cm, 50°C) = 421 Density (g/cm³) = 1.01428 Volume (L) = 1.04832 - Viscosity (mPa s) = 0.55403 + Viscosity (mPa s) = 0.58674 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.991e-04 Mass of water (kg) = 1.000e+00 @@ -3622,10 +3622,10 @@ Initial solution 1. pH = 3.009 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 480 + Specific Conductance (µS/cm, 50°C) = 427 Density (g/cm³) = 1.01521 Volume (L) = 1.04801 - Viscosity (mPa s) = 0.55448 + Viscosity (mPa s) = 0.58757 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.013e-03 Mass of water (kg) = 1.000e+00 @@ -3699,10 +3699,10 @@ Initial solution 1. pH = 3.004 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 486 + Specific Conductance (µS/cm, 50°C) = 432 Density (g/cm³) = 1.01613 Volume (L) = 1.04768 - Viscosity (mPa s) = 0.55494 + Viscosity (mPa s) = 0.58839 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.027e-03 Mass of water (kg) = 1.000e+00 @@ -3776,10 +3776,10 @@ Initial solution 1. pH = 2.998 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 493 + Specific Conductance (µS/cm, 50°C) = 437 Density (g/cm³) = 1.01705 Volume (L) = 1.04734 - Viscosity (mPa s) = 0.55539 + Viscosity (mPa s) = 0.58920 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.042e-03 Mass of water (kg) = 1.000e+00 @@ -3853,10 +3853,10 @@ Initial solution 1. pH = 2.992 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 499 + Specific Conductance (µS/cm, 50°C) = 443 Density (g/cm³) = 1.01796 Volume (L) = 1.04697 - Viscosity (mPa s) = 0.55586 + Viscosity (mPa s) = 0.59001 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.056e-03 Mass of water (kg) = 1.000e+00 @@ -3930,10 +3930,10 @@ Initial solution 1. pH = 2.986 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 506 + Specific Conductance (µS/cm, 50°C) = 448 Density (g/cm³) = 1.01886 Volume (L) = 1.04659 - Viscosity (mPa s) = 0.55632 + Viscosity (mPa s) = 0.59080 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.069e-03 Mass of water (kg) = 1.000e+00 @@ -4007,10 +4007,10 @@ Initial solution 1. pH = 2.981 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 512 + Specific Conductance (µS/cm, 50°C) = 453 Density (g/cm³) = 1.01976 Volume (L) = 1.04621 - Viscosity (mPa s) = 0.55679 + Viscosity (mPa s) = 0.59160 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.083e-03 Mass of water (kg) = 1.000e+00 @@ -4084,10 +4084,10 @@ Initial solution 1. pH = 2.976 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 519 + Specific Conductance (µS/cm, 50°C) = 458 Density (g/cm³) = 1.02065 Volume (L) = 1.04581 - Viscosity (mPa s) = 0.55726 + Viscosity (mPa s) = 0.59238 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.097e-03 Mass of water (kg) = 1.000e+00 @@ -4161,10 +4161,10 @@ Initial solution 1. pH = 2.970 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 525 + Specific Conductance (µS/cm, 50°C) = 464 Density (g/cm³) = 1.02153 Volume (L) = 1.04540 - Viscosity (mPa s) = 0.55774 + Viscosity (mPa s) = 0.59317 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.111e-03 Mass of water (kg) = 1.000e+00 @@ -4333,7 +4333,7 @@ Initial solution 1. Specific Conductance (µS/cm, 75°C) = 53 Density (g/cm³) = 0.97496 Volume (L) = 1.02635 - Viscosity (mPa s) = 0.37745 + Viscosity (mPa s) = 0.37771 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.456e-05 Mass of water (kg) = 1.000e+00 @@ -4407,10 +4407,10 @@ Initial solution 1. pH = 3.453 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 221 + Specific Conductance (µS/cm, 75°C) = 218 Density (g/cm³) = 0.97777 Volume (L) = 1.03466 - Viscosity (mPa s) = 0.37806 + Viscosity (mPa s) = 0.38094 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.605e-04 Mass of water (kg) = 1.000e+00 @@ -4484,10 +4484,10 @@ Initial solution 1. pH = 3.325 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 294 + Specific Conductance (µS/cm, 75°C) = 286 Density (g/cm³) = 0.98028 Volume (L) = 1.04166 - Viscosity (mPa s) = 0.37863 + Viscosity (mPa s) = 0.38356 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.856e-04 Mass of water (kg) = 1.000e+00 @@ -4561,10 +4561,10 @@ Initial solution 1. pH = 3.256 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 340 + Specific Conductance (µS/cm, 75°C) = 329 Density (g/cm³) = 0.98251 Volume (L) = 1.04736 - Viscosity (mPa s) = 0.37918 + Viscosity (mPa s) = 0.38579 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.704e-04 Mass of water (kg) = 1.000e+00 @@ -4638,10 +4638,10 @@ Initial solution 1. pH = 3.212 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 374 + Specific Conductance (µS/cm, 75°C) = 359 Density (g/cm³) = 0.98447 Volume (L) = 1.05181 - Viscosity (mPa s) = 0.37973 + Viscosity (mPa s) = 0.38769 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.325e-04 Mass of water (kg) = 1.000e+00 @@ -4715,10 +4715,10 @@ Initial solution 1. pH = 3.181 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 398 + Specific Conductance (µS/cm, 75°C) = 380 Density (g/cm³) = 0.98619 Volume (L) = 1.05510 - Viscosity (mPa s) = 0.38028 + Viscosity (mPa s) = 0.38928 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.794e-04 Mass of water (kg) = 1.000e+00 @@ -4792,10 +4792,10 @@ Initial solution 1. pH = 3.159 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 417 + Specific Conductance (µS/cm, 75°C) = 396 Density (g/cm³) = 0.98771 Volume (L) = 1.05738 - Viscosity (mPa s) = 0.38082 + Viscosity (mPa s) = 0.39063 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.153e-04 Mass of water (kg) = 1.000e+00 @@ -4869,10 +4869,10 @@ Initial solution 1. pH = 3.143 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 431 + Specific Conductance (µS/cm, 75°C) = 409 Density (g/cm³) = 0.98907 Volume (L) = 1.05889 - Viscosity (mPa s) = 0.38136 + Viscosity (mPa s) = 0.39179 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.437e-04 Mass of water (kg) = 1.000e+00 @@ -4946,10 +4946,10 @@ Initial solution 1. pH = 3.129 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 444 + Specific Conductance (µS/cm, 75°C) = 420 Density (g/cm³) = 0.99032 Volume (L) = 1.05988 - Viscosity (mPa s) = 0.38189 + Viscosity (mPa s) = 0.39282 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.673e-04 Mass of water (kg) = 1.000e+00 @@ -5023,10 +5023,10 @@ Initial solution 1. pH = 3.118 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 454 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99150 Volume (L) = 1.06052 - Viscosity (mPa s) = 0.38243 + Viscosity (mPa s) = 0.39377 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.881e-04 Mass of water (kg) = 1.000e+00 @@ -5100,10 +5100,10 @@ Initial solution 1. pH = 3.108 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 464 + Specific Conductance (µS/cm, 75°C) = 438 Density (g/cm³) = 0.99263 Volume (L) = 1.06096 - Viscosity (mPa s) = 0.38296 + Viscosity (mPa s) = 0.39467 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.070e-04 Mass of water (kg) = 1.000e+00 @@ -5177,10 +5177,10 @@ Initial solution 1. pH = 3.098 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 473 + Specific Conductance (µS/cm, 75°C) = 446 Density (g/cm³) = 0.99372 Volume (L) = 1.06124 - Viscosity (mPa s) = 0.38350 + Viscosity (mPa s) = 0.39553 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.246e-04 Mass of water (kg) = 1.000e+00 @@ -5254,10 +5254,10 @@ Initial solution 1. pH = 3.090 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 482 + Specific Conductance (µS/cm, 75°C) = 453 Density (g/cm³) = 0.99479 Volume (L) = 1.06141 - Viscosity (mPa s) = 0.38403 + Viscosity (mPa s) = 0.39636 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.414e-04 Mass of water (kg) = 1.000e+00 @@ -5331,10 +5331,10 @@ Initial solution 1. pH = 3.082 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 491 + Specific Conductance (µS/cm, 75°C) = 461 Density (g/cm³) = 0.99584 Volume (L) = 1.06149 - Viscosity (mPa s) = 0.38456 + Viscosity (mPa s) = 0.39717 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.575e-04 Mass of water (kg) = 1.000e+00 @@ -5408,10 +5408,10 @@ Initial solution 1. pH = 3.074 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 499 + Specific Conductance (µS/cm, 75°C) = 468 Density (g/cm³) = 0.99687 Volume (L) = 1.06151 - Viscosity (mPa s) = 0.38510 + Viscosity (mPa s) = 0.39797 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.731e-04 Mass of water (kg) = 1.000e+00 @@ -5485,10 +5485,10 @@ Initial solution 1. pH = 3.067 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 507 + Specific Conductance (µS/cm, 75°C) = 475 Density (g/cm³) = 0.99789 Volume (L) = 1.06147 - Viscosity (mPa s) = 0.38563 + Viscosity (mPa s) = 0.39875 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.882e-04 Mass of water (kg) = 1.000e+00 @@ -5562,10 +5562,10 @@ Initial solution 1. pH = 3.060 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 515 + Specific Conductance (µS/cm, 75°C) = 481 Density (g/cm³) = 0.99889 Volume (L) = 1.06138 - Viscosity (mPa s) = 0.38617 + Viscosity (mPa s) = 0.39952 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.030e-04 Mass of water (kg) = 1.000e+00 @@ -5639,10 +5639,10 @@ Initial solution 1. pH = 3.053 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 522 + Specific Conductance (µS/cm, 75°C) = 488 Density (g/cm³) = 0.99988 Volume (L) = 1.06127 - Viscosity (mPa s) = 0.38670 + Viscosity (mPa s) = 0.40028 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.176e-04 Mass of water (kg) = 1.000e+00 @@ -5716,10 +5716,10 @@ Initial solution 1. pH = 3.046 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 530 + Specific Conductance (µS/cm, 75°C) = 495 Density (g/cm³) = 1.00085 Volume (L) = 1.06110 - Viscosity (mPa s) = 0.38723 + Viscosity (mPa s) = 0.40103 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.318e-04 Mass of water (kg) = 1.000e+00 @@ -5793,10 +5793,10 @@ Initial solution 1. pH = 3.040 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 537 + Specific Conductance (µS/cm, 75°C) = 501 Density (g/cm³) = 1.00182 Volume (L) = 1.06092 - Viscosity (mPa s) = 0.38777 + Viscosity (mPa s) = 0.40177 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.458e-04 Mass of water (kg) = 1.000e+00 @@ -5870,10 +5870,10 @@ Initial solution 1. pH = 3.033 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 544 + Specific Conductance (µS/cm, 75°C) = 507 Density (g/cm³) = 1.00278 Volume (L) = 1.06071 - Viscosity (mPa s) = 0.38830 + Viscosity (mPa s) = 0.40251 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.598e-04 Mass of water (kg) = 1.000e+00 @@ -5947,10 +5947,10 @@ Initial solution 1. pH = 3.027 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 552 + Specific Conductance (µS/cm, 75°C) = 514 Density (g/cm³) = 1.00373 Volume (L) = 1.06047 - Viscosity (mPa s) = 0.38883 + Viscosity (mPa s) = 0.40324 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.734e-04 Mass of water (kg) = 1.000e+00 @@ -6024,10 +6024,10 @@ Initial solution 1. pH = 3.021 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 559 + Specific Conductance (µS/cm, 75°C) = 520 Density (g/cm³) = 1.00467 Volume (L) = 1.06021 - Viscosity (mPa s) = 0.38937 + Viscosity (mPa s) = 0.40397 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.869e-04 Mass of water (kg) = 1.000e+00 @@ -6101,10 +6101,10 @@ Initial solution 1. pH = 3.016 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 566 + Specific Conductance (µS/cm, 75°C) = 526 Density (g/cm³) = 1.00560 Volume (L) = 1.05993 - Viscosity (mPa s) = 0.38990 + Viscosity (mPa s) = 0.40469 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.000e+00 @@ -6178,10 +6178,10 @@ Initial solution 1. pH = 3.010 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 573 + Specific Conductance (µS/cm, 75°C) = 532 Density (g/cm³) = 1.00652 Volume (L) = 1.05964 - Viscosity (mPa s) = 0.39044 + Viscosity (mPa s) = 0.40541 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.014e-03 Mass of water (kg) = 1.000e+00 @@ -6255,10 +6255,10 @@ Initial solution 1. pH = 3.004 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 580 + Specific Conductance (µS/cm, 75°C) = 538 Density (g/cm³) = 1.00744 Volume (L) = 1.05933 - Viscosity (mPa s) = 0.39098 + Viscosity (mPa s) = 0.40612 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.027e-03 Mass of water (kg) = 1.000e+00 @@ -6427,7 +6427,7 @@ Initial solution 1. Specific Conductance (µS/cm, 100°C) = 47 Density (g/cm³) = 0.95843 Volume (L) = 1.04391 - Viscosity (mPa s) = 0.28161 + Viscosity (mPa s) = 0.28177 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.636e-05 Mass of water (kg) = 1.000e+00 @@ -6501,10 +6501,10 @@ Initial solution 1. pH = 3.554 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 201 + Specific Conductance (µS/cm, 100°C) = 199 Density (g/cm³) = 0.96069 Volume (L) = 1.05063 - Viscosity (mPa s) = 0.28222 + Viscosity (mPa s) = 0.28361 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.852e-04 Mass of water (kg) = 1.000e+00 @@ -6578,10 +6578,10 @@ Initial solution 1. pH = 3.423 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 269 + Specific Conductance (µS/cm, 100°C) = 265 Density (g/cm³) = 0.96280 Volume (L) = 1.05657 - Viscosity (mPa s) = 0.28279 + Viscosity (mPa s) = 0.28514 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.876e-04 Mass of water (kg) = 1.000e+00 @@ -6655,10 +6655,10 @@ Initial solution 1. pH = 3.350 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 315 + Specific Conductance (µS/cm, 100°C) = 309 Density (g/cm³) = 0.96477 Volume (L) = 1.06169 - Viscosity (mPa s) = 0.28335 + Viscosity (mPa s) = 0.28650 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.596e-04 Mass of water (kg) = 1.000e+00 @@ -6732,10 +6732,10 @@ Initial solution 1. pH = 3.301 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 350 + Specific Conductance (µS/cm, 100°C) = 341 Density (g/cm³) = 0.96659 Volume (L) = 1.06599 - Viscosity (mPa s) = 0.28391 + Viscosity (mPa s) = 0.28773 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.148e-04 Mass of water (kg) = 1.000e+00 @@ -6809,10 +6809,10 @@ Initial solution 1. pH = 3.266 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 376 + Specific Conductance (µS/cm, 100°C) = 365 Density (g/cm³) = 0.96828 Volume (L) = 1.06951 - Viscosity (mPa s) = 0.28447 + Viscosity (mPa s) = 0.28886 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.589e-04 Mass of water (kg) = 1.000e+00 @@ -6886,10 +6886,10 @@ Initial solution 1. pH = 3.239 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 398 + Specific Conductance (µS/cm, 100°C) = 385 Density (g/cm³) = 0.96985 Volume (L) = 1.07233 - Viscosity (mPa s) = 0.28502 + Viscosity (mPa s) = 0.28989 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.950e-04 Mass of water (kg) = 1.000e+00 @@ -6963,10 +6963,10 @@ Initial solution 1. pH = 3.218 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 415 + Specific Conductance (µS/cm, 100°C) = 401 Density (g/cm³) = 0.97132 Volume (L) = 1.07454 - Viscosity (mPa s) = 0.28556 + Viscosity (mPa s) = 0.29085 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.252e-04 Mass of water (kg) = 1.000e+00 @@ -7040,10 +7040,10 @@ Initial solution 1. pH = 3.200 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 430 + Specific Conductance (µS/cm, 100°C) = 415 Density (g/cm³) = 0.97269 Volume (L) = 1.07625 - Viscosity (mPa s) = 0.28611 + Viscosity (mPa s) = 0.29174 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.512e-04 Mass of water (kg) = 1.000e+00 @@ -7117,10 +7117,10 @@ Initial solution 1. pH = 3.186 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 443 + Specific Conductance (µS/cm, 100°C) = 426 Density (g/cm³) = 0.97400 Volume (L) = 1.07756 - Viscosity (mPa s) = 0.28665 + Viscosity (mPa s) = 0.29259 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.740e-04 Mass of water (kg) = 1.000e+00 @@ -7194,10 +7194,10 @@ Initial solution 1. pH = 3.173 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 455 + Specific Conductance (µS/cm, 100°C) = 437 Density (g/cm³) = 0.97526 Volume (L) = 1.07857 - Viscosity (mPa s) = 0.28719 + Viscosity (mPa s) = 0.29339 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.945e-04 Mass of water (kg) = 1.000e+00 @@ -7271,10 +7271,10 @@ Initial solution 1. pH = 3.161 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 466 + Specific Conductance (µS/cm, 100°C) = 447 Density (g/cm³) = 0.97647 Volume (L) = 1.07935 - Viscosity (mPa s) = 0.28772 + Viscosity (mPa s) = 0.29417 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.134e-04 Mass of water (kg) = 1.000e+00 @@ -7348,10 +7348,10 @@ Initial solution 1. pH = 3.151 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 476 + Specific Conductance (µS/cm, 100°C) = 456 Density (g/cm³) = 0.97765 Volume (L) = 1.07995 - Viscosity (mPa s) = 0.28826 + Viscosity (mPa s) = 0.29493 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.310e-04 Mass of water (kg) = 1.000e+00 @@ -7425,10 +7425,10 @@ Initial solution 1. pH = 3.141 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 485 + Specific Conductance (µS/cm, 100°C) = 464 Density (g/cm³) = 0.97880 Volume (L) = 1.08041 - Viscosity (mPa s) = 0.28879 + Viscosity (mPa s) = 0.29567 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.476e-04 Mass of water (kg) = 1.000e+00 @@ -7502,10 +7502,10 @@ Initial solution 1. pH = 3.132 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 494 + Specific Conductance (µS/cm, 100°C) = 472 Density (g/cm³) = 0.97992 Volume (L) = 1.08076 - Viscosity (mPa s) = 0.28932 + Viscosity (mPa s) = 0.29639 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.636e-04 Mass of water (kg) = 1.000e+00 @@ -7579,10 +7579,10 @@ Initial solution 1. pH = 3.124 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 503 + Specific Conductance (µS/cm, 100°C) = 480 Density (g/cm³) = 0.98103 Volume (L) = 1.08102 - Viscosity (mPa s) = 0.28986 + Viscosity (mPa s) = 0.29711 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.788e-04 Mass of water (kg) = 1.000e+00 @@ -7656,10 +7656,10 @@ Initial solution 1. pH = 3.116 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 512 + Specific Conductance (µS/cm, 100°C) = 488 Density (g/cm³) = 0.98212 Volume (L) = 1.08120 - Viscosity (mPa s) = 0.29039 + Viscosity (mPa s) = 0.29781 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.936e-04 Mass of water (kg) = 1.000e+00 @@ -7733,10 +7733,10 @@ Initial solution 1. pH = 3.108 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 520 + Specific Conductance (µS/cm, 100°C) = 495 Density (g/cm³) = 0.98319 Volume (L) = 1.08132 - Viscosity (mPa s) = 0.29092 + Viscosity (mPa s) = 0.29850 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.081e-04 Mass of water (kg) = 1.000e+00 @@ -7810,10 +7810,10 @@ Initial solution 1. pH = 3.100 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 528 + Specific Conductance (µS/cm, 100°C) = 502 Density (g/cm³) = 0.98425 Volume (L) = 1.08138 - Viscosity (mPa s) = 0.29144 + Viscosity (mPa s) = 0.29919 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.221e-04 Mass of water (kg) = 1.000e+00 @@ -7887,10 +7887,10 @@ Initial solution 1. pH = 3.093 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 536 + Specific Conductance (µS/cm, 100°C) = 509 Density (g/cm³) = 0.98529 Volume (L) = 1.08139 - Viscosity (mPa s) = 0.29197 + Viscosity (mPa s) = 0.29987 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.359e-04 Mass of water (kg) = 1.000e+00 @@ -7964,10 +7964,10 @@ Initial solution 1. pH = 3.086 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 543 + Specific Conductance (µS/cm, 100°C) = 516 Density (g/cm³) = 0.98633 Volume (L) = 1.08138 - Viscosity (mPa s) = 0.29250 + Viscosity (mPa s) = 0.30055 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.494e-04 Mass of water (kg) = 1.000e+00 @@ -8041,10 +8041,10 @@ Initial solution 1. pH = 3.080 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 551 + Specific Conductance (µS/cm, 100°C) = 523 Density (g/cm³) = 0.98735 Volume (L) = 1.08131 - Viscosity (mPa s) = 0.29302 + Viscosity (mPa s) = 0.30122 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.627e-04 Mass of water (kg) = 1.000e+00 @@ -8118,10 +8118,10 @@ Initial solution 1. pH = 3.073 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 558 + Specific Conductance (µS/cm, 100°C) = 529 Density (g/cm³) = 0.98836 Volume (L) = 1.08121 - Viscosity (mPa s) = 0.29355 + Viscosity (mPa s) = 0.30189 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.757e-04 Mass of water (kg) = 1.000e+00 @@ -8195,10 +8195,10 @@ Initial solution 1. pH = 3.067 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 566 + Specific Conductance (µS/cm, 100°C) = 536 Density (g/cm³) = 0.98937 Volume (L) = 1.08109 - Viscosity (mPa s) = 0.29407 + Viscosity (mPa s) = 0.30255 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.887e-04 Mass of water (kg) = 1.000e+00 @@ -8272,10 +8272,10 @@ Initial solution 1. pH = 3.061 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 573 + Specific Conductance (µS/cm, 100°C) = 542 Density (g/cm³) = 0.99036 Volume (L) = 1.08094 - Viscosity (mPa s) = 0.29460 + Viscosity (mPa s) = 0.30321 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.014e-04 Mass of water (kg) = 1.000e+00 @@ -8349,10 +8349,10 @@ Initial solution 1. pH = 3.055 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 580 + Specific Conductance (µS/cm, 100°C) = 549 Density (g/cm³) = 0.99135 Volume (L) = 1.08076 - Viscosity (mPa s) = 0.29512 + Viscosity (mPa s) = 0.30386 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.140e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/CO2_conc_PR_IS_101.sel b/mytest/CO2_conc_PR_IS_101.sel index c37faae57..ac2a345d1 100644 --- a/mytest/CO2_conc_PR_IS_101.sel +++ b/mytest/CO2_conc_PR_IS_101.sel @@ -1,109 +1,109 @@ Mu SC 0.000000100661 0.0546997340 - 0.000130281239 50.6846780760 - 0.000541610367 201.9916588150 - 0.000708420426 256.7847691760 - 0.000802150277 285.7358620849 - 0.000826456976 293.8943372045 - 0.000843798628 300.0601473866 - 0.000860217654 305.9697101564 - 0.000876114172 311.7387181305 - 0.000891635179 317.4099706686 - 0.000906855947 323.0055192351 - 0.000921869753 328.5520210766 - 0.000936720457 334.0620701839 - 0.000951420229 339.5393266547 - 0.000966007403 344.9945870489 - 0.000980534649 350.4424634815 - 0.000994932535 355.8639148385 - 0.001009278447 361.2802514450 - 0.001023633273 366.7080963975 - 0.001037875282 372.1140981273 - 0.001052107513 377.5263804816 - 0.001066393942 382.9622500306 - 0.001080564230 388.3752366242 - 0.001094699017 393.7872392822 - 0.001108909432 399.2282940483 - 0.001123034037 404.6545022260 - 0.001137206445 410.1019529244 + 0.000130281239 50.3548451279 + 0.000541610367 182.5226844121 + 0.000708420426 217.2497974034 + 0.000802150277 232.0255713602 + 0.000826456976 236.8180451941 + 0.000843798628 240.7937790115 + 0.000860217654 244.6602425500 + 0.000876114172 248.4671795985 + 0.000891635179 252.2341616799 + 0.000906855947 255.9719397638 + 0.000921869753 259.6918311210 + 0.000936720457 263.3996704568 + 0.000951420229 267.0980117642 + 0.000966007403 270.7914260347 + 0.000980534649 274.4852957896 + 0.000994932535 278.1746047413 + 0.001009278447 281.8664890624 + 0.001023633273 285.5662289645 + 0.001037875282 289.2646830025 + 0.001052107513 292.9703389598 + 0.001066393942 296.6881663283 + 0.001080564230 300.4057850884 + 0.001094699017 304.1295810427 + 0.001108909432 307.8676247177 + 0.001123034037 311.6086942180 + 0.001137206445 315.3622696584 0.000000100661 0.0546997340 - 0.000106327497 55.1094501558 - 0.000448608549 226.1442261069 - 0.000597064840 295.0391101017 - 0.000691918032 336.9021291509 - 0.000754992789 363.9263420273 - 0.000794890213 380.9537338920 - 0.000820394233 392.0798695092 - 0.000840949365 401.2090547327 - 0.000859467337 409.5192018321 - 0.000876805918 417.3571849169 - 0.000893387747 424.8931604494 - 0.000909423312 432.2121585094 - 0.000925021488 439.3586971812 - 0.000940284223 446.3736224870 - 0.000955307608 453.2947245586 - 0.000970049693 460.1075367396 - 0.000984612223 466.8511925614 - 0.000999073136 473.5553680445 - 0.001013322152 480.1797444124 - 0.001027473684 486.7672637759 - 0.001041599427 493.3446039225 - 0.001055536246 499.8521263934 - 0.001069370575 506.3219844952 - 0.001083216826 512.7961358897 - 0.001096919570 519.2180706635 - 0.001110613800 525.6370706687 + 0.000106327497 54.9806597387 + 0.000448608549 218.8908565428 + 0.000597064840 279.0595495021 + 0.000691918032 313.2007911943 + 0.000754992789 334.2704515876 + 0.000794890213 347.3591429911 + 0.000820394233 356.0501688945 + 0.000840949365 363.2814491345 + 0.000859467337 369.9127199284 + 0.000876805918 376.1975123589 + 0.000893387747 382.2595740356 + 0.000909423312 388.1612514092 + 0.000925021488 393.9359484274 + 0.000940284223 399.6133719368 + 0.000955307608 405.2201856766 + 0.000970049693 410.7489705097 + 0.000984612223 416.2262608847 + 0.000999073136 421.6718559144 + 0.001013322152 427.0614840232 + 0.001027473684 432.4229044079 + 0.001041599427 437.7731432325 + 0.001055536246 443.0761916412 + 0.001069370575 448.3525112088 + 0.001083216826 453.6279467020 + 0.001096919570 458.8687998073 + 0.001110613800 464.1050903144 0.000000100661 0.0546997340 - 0.000084560584 53.1777133506 - 0.000360537438 221.8626083895 - 0.000485620040 294.0508935121 - 0.000570447152 340.9367404771 - 0.000632546185 374.1543754543 - 0.000679381695 398.6596694057 - 0.000715260284 417.2173194805 - 0.000743684371 431.8767404878 - 0.000767344254 444.1043207420 - 0.000788071805 454.8546549375 - 0.000806974513 464.6903450645 - 0.000824644864 473.9099957170 - 0.000841409145 482.6781372516 - 0.000857501586 491.1113023219 - 0.000873101682 499.2973911604 - 0.000888223667 507.2476175686 - 0.000903008249 515.0289285525 - 0.000917559630 522.6903485689 - 0.000931792044 530.1961049391 - 0.000945833050 537.6044786993 - 0.000959763704 544.9522160511 - 0.000973438390 552.1770454464 - 0.000986948459 559.3200713992 - 0.001000408911 566.4317533538 - 0.001013678508 573.4520349360 - 0.001026889296 580.4382668414 + 0.000084560584 53.1058321831 + 0.000360537438 218.5762693652 + 0.000485620040 286.6626896197 + 0.000570447152 329.5605854849 + 0.000632546185 359.2384001340 + 0.000679381695 380.7670811434 + 0.000715260284 396.9131246605 + 0.000743684371 409.6193450222 + 0.000767344254 420.2150412917 + 0.000788071805 429.5397762276 + 0.000806974513 438.0796247287 + 0.000824644864 446.0911920596 + 0.000841409145 453.7159936082 + 0.000857501586 461.0533123637 + 0.000873101682 468.1771789317 + 0.000888223667 475.0998778418 + 0.000903008249 481.8765491986 + 0.000917559630 488.5472317900 + 0.000931792044 495.0859644661 + 0.000945833050 501.5391552957 + 0.000959763704 507.9359016158 + 0.000973438390 514.2297574165 + 0.000986948459 520.4530385052 + 0.001000408911 526.6444913631 + 0.001013678508 532.7595711720 + 0.001026889296 538.8418777027 0.000000100661 0.0546997340 - 0.000066361298 47.7559196256 - 0.000285191246 201.3691654438 - 0.000387550887 269.7071929637 - 0.000459578861 315.9012406835 - 0.000514796530 350.1442869226 - 0.000558899740 376.7666713493 - 0.000594968336 398.0997335993 - 0.000625238782 415.7459729261 - 0.000651207779 430.7415689661 - 0.000674007141 443.8315749514 - 0.000694536331 455.5777047800 - 0.000713401166 466.3495602475 - 0.000731001502 476.3879890104 - 0.000747646318 485.8740525146 - 0.000763574372 494.9443297459 - 0.000778848519 503.6419183535 - 0.000793642268 512.0619816052 - 0.000808082783 520.2733070361 - 0.000822111044 528.2523738368 - 0.000835864739 536.0703002016 - 0.000849432558 543.7725671946 - 0.000862690248 551.3029521632 - 0.000875731959 558.7088925864 - 0.000888670636 566.0451301969 - 0.000901382667 573.2557885076 - 0.000913994084 580.4008135716 + 0.000066361298 47.7050217002 + 0.000285191246 199.4911647190 + 0.000387550887 265.5188659927 + 0.000459578861 309.3688208318 + 0.000514796530 341.3952993675 + 0.000558899740 365.9955502415 + 0.000594968336 385.5254864596 + 0.000625238782 401.5705372791 + 0.000651207779 415.1418574787 + 0.000674007141 426.9525706203 + 0.000694536331 437.5292831444 + 0.000713401166 447.2152083316 + 0.000731001502 456.2328291603 + 0.000747646318 464.7474949372 + 0.000763574372 472.8826558590 + 0.000778848519 480.6801612444 + 0.000793642268 488.2244193433 + 0.000808082783 495.5760721523 + 0.000822111044 502.7180113284 + 0.000835864739 509.7115145829 + 0.000849432558 516.5956523001 + 0.000862690248 523.3255953052 + 0.000875731959 529.9417133230 + 0.000888670636 536.4896078370 + 0.000901382667 542.9247466729 + 0.000913994084 549.2965254342 diff --git a/mytest/CO2_sp_IS.out b/mytest/CO2_sp_IS.out index 5900f3151..627c6e72f 100644 --- a/mytest/CO2_sp_IS.out +++ b/mytest/CO2_sp_IS.out @@ -140,10 +140,10 @@ Initial solution 1. pH = 3.886 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 51 + Specific Conductance (µS/cm, 25°C) = 50 Density (g/cm³) = 0.99741 Volume (L) = 1.00425 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.89270 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.319e-04 Mass of water (kg) = 1.000e+00 @@ -214,10 +214,10 @@ Initial solution 1. pH = 3.275 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 204 + Specific Conductance (µS/cm, 25°C) = 178 Density (g/cm³) = 1.00390 Volume (L) = 1.02373 - Viscosity (mPa s) = 0.88996 + Viscosity (mPa s) = 0.93328 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.486e-04 Mass of water (kg) = 1.000e+00 @@ -288,10 +288,10 @@ Initial solution 1. pH = 3.162 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 260 + Specific Conductance (µS/cm, 25°C) = 206 Density (g/cm³) = 1.00876 Volume (L) = 1.03783 - Viscosity (mPa s) = 0.88975 + Viscosity (mPa s) = 0.96301 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.177e-04 Mass of water (kg) = 1.000e+00 @@ -362,10 +362,10 @@ Initial solution 1. pH = 3.110 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 217 Density (g/cm³) = 1.01215 Volume (L) = 1.04662 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98214 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.127e-04 Mass of water (kg) = 1.000e+00 @@ -436,10 +436,10 @@ Initial solution 1. pH = 3.097 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 297 + Specific Conductance (µS/cm, 25°C) = 221 Density (g/cm³) = 1.01349 Volume (L) = 1.04753 - Viscosity (mPa s) = 0.88931 + Viscosity (mPa s) = 0.98557 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.374e-04 Mass of water (kg) = 1.000e+00 @@ -510,10 +510,10 @@ Initial solution 1. pH = 3.089 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 303 + Specific Conductance (µS/cm, 25°C) = 224 Density (g/cm³) = 1.01461 Volume (L) = 1.04761 - Viscosity (mPa s) = 0.88909 + Viscosity (mPa s) = 0.98731 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.551e-04 Mass of water (kg) = 1.000e+00 @@ -584,10 +584,10 @@ Initial solution 1. pH = 3.080 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 310 + Specific Conductance (µS/cm, 25°C) = 228 Density (g/cm³) = 1.01570 Volume (L) = 1.04756 - Viscosity (mPa s) = 0.88889 + Viscosity (mPa s) = 0.98882 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.719e-04 Mass of water (kg) = 1.000e+00 @@ -658,10 +658,10 @@ Initial solution 1. pH = 3.072 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 315 + Specific Conductance (µS/cm, 25°C) = 231 Density (g/cm³) = 1.01676 Volume (L) = 1.04743 - Viscosity (mPa s) = 0.88870 + Viscosity (mPa s) = 0.99018 Activity of water = 0.974 Ionic strength (mol/kgw) = 8.882e-04 Mass of water (kg) = 1.000e+00 @@ -732,10 +732,10 @@ Initial solution 1. pH = 3.065 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 321 + Specific Conductance (µS/cm, 25°C) = 234 Density (g/cm³) = 1.01781 Volume (L) = 1.04724 - Viscosity (mPa s) = 0.88853 + Viscosity (mPa s) = 0.99143 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.041e-04 Mass of water (kg) = 1.000e+00 @@ -806,10 +806,10 @@ Initial solution 1. pH = 3.058 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 327 + Specific Conductance (µS/cm, 25°C) = 237 Density (g/cm³) = 1.01884 Volume (L) = 1.04701 - Viscosity (mPa s) = 0.88837 + Viscosity (mPa s) = 0.99260 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.197e-04 Mass of water (kg) = 1.000e+00 @@ -880,10 +880,10 @@ Initial solution 1. pH = 3.051 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 333 + Specific Conductance (µS/cm, 25°C) = 241 Density (g/cm³) = 1.01986 Volume (L) = 1.04674 - Viscosity (mPa s) = 0.88822 + Viscosity (mPa s) = 0.99370 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.352e-04 Mass of water (kg) = 1.000e+00 @@ -954,10 +954,10 @@ Initial solution 1. pH = 3.044 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 338 + Specific Conductance (µS/cm, 25°C) = 244 Density (g/cm³) = 1.02086 Volume (L) = 1.04644 - Viscosity (mPa s) = 0.88808 + Viscosity (mPa s) = 0.99475 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.505e-04 Mass of water (kg) = 1.000e+00 @@ -1028,10 +1028,10 @@ Initial solution 1. pH = 3.037 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 344 + Specific Conductance (µS/cm, 25°C) = 247 Density (g/cm³) = 1.02185 Volume (L) = 1.04611 - Viscosity (mPa s) = 0.88796 + Viscosity (mPa s) = 0.99574 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.656e-04 Mass of water (kg) = 1.000e+00 @@ -1102,10 +1102,10 @@ Initial solution 1. pH = 3.031 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 350 + Specific Conductance (µS/cm, 25°C) = 250 Density (g/cm³) = 1.02283 Volume (L) = 1.04576 - Viscosity (mPa s) = 0.88785 + Viscosity (mPa s) = 0.99670 Activity of water = 0.972 Ionic strength (mol/kgw) = 9.807e-04 Mass of water (kg) = 1.000e+00 @@ -1176,10 +1176,10 @@ Initial solution 1. pH = 3.024 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 355 + Specific Conductance (µS/cm, 25°C) = 254 Density (g/cm³) = 1.02381 Volume (L) = 1.04540 - Viscosity (mPa s) = 0.88776 + Viscosity (mPa s) = 0.99764 Activity of water = 0.972 Ionic strength (mol/kgw) = 9.957e-04 Mass of water (kg) = 1.000e+00 @@ -1250,10 +1250,10 @@ Initial solution 1. pH = 3.018 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 361 + Specific Conductance (µS/cm, 25°C) = 257 Density (g/cm³) = 1.02477 Volume (L) = 1.04500 - Viscosity (mPa s) = 0.88768 + Viscosity (mPa s) = 0.99853 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.011e-03 Mass of water (kg) = 1.000e+00 @@ -1324,10 +1324,10 @@ Initial solution 1. pH = 3.012 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 366 + Specific Conductance (µS/cm, 25°C) = 260 Density (g/cm³) = 1.02572 Volume (L) = 1.04460 - Viscosity (mPa s) = 0.88761 + Viscosity (mPa s) = 0.99940 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.026e-03 Mass of water (kg) = 1.000e+00 @@ -1398,10 +1398,10 @@ Initial solution 1. pH = 3.005 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 372 + Specific Conductance (µS/cm, 25°C) = 264 Density (g/cm³) = 1.02667 Volume (L) = 1.04419 - Viscosity (mPa s) = 0.88755 + Viscosity (mPa s) = 1.00026 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.040e-03 Mass of water (kg) = 1.000e+00 @@ -1472,10 +1472,10 @@ Initial solution 1. pH = 2.999 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 378 + Specific Conductance (µS/cm, 25°C) = 267 Density (g/cm³) = 1.02761 Volume (L) = 1.04375 - Viscosity (mPa s) = 0.88751 + Viscosity (mPa s) = 1.00109 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.055e-03 Mass of water (kg) = 1.000e+00 @@ -1546,10 +1546,10 @@ Initial solution 1. pH = 2.994 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 383 + Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 1.02854 Volume (L) = 1.04331 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00190 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.070e-03 Mass of water (kg) = 1.000e+00 @@ -1620,10 +1620,10 @@ Initial solution 1. pH = 2.988 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 389 + Specific Conductance (µS/cm, 25°C) = 274 Density (g/cm³) = 1.02947 Volume (L) = 1.04286 - Viscosity (mPa s) = 0.88747 + Viscosity (mPa s) = 1.00272 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.085e-03 Mass of water (kg) = 1.000e+00 @@ -1694,10 +1694,10 @@ Initial solution 1. pH = 2.982 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 395 + Specific Conductance (µS/cm, 25°C) = 277 Density (g/cm³) = 1.03038 Volume (L) = 1.04240 - Viscosity (mPa s) = 0.88747 + Viscosity (mPa s) = 1.00350 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.100e-03 Mass of water (kg) = 1.000e+00 @@ -1768,10 +1768,10 @@ Initial solution 1. pH = 2.976 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 400 + Specific Conductance (µS/cm, 25°C) = 280 Density (g/cm³) = 1.03129 Volume (L) = 1.04192 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00427 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.115e-03 Mass of water (kg) = 1.000e+00 @@ -1842,10 +1842,10 @@ Initial solution 1. pH = 2.971 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 406 + Specific Conductance (µS/cm, 25°C) = 284 Density (g/cm³) = 1.03219 Volume (L) = 1.04145 - Viscosity (mPa s) = 0.88751 + Viscosity (mPa s) = 1.00505 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.129e-03 Mass of water (kg) = 1.000e+00 @@ -1916,10 +1916,10 @@ Initial solution 1. pH = 2.965 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 412 + Specific Conductance (µS/cm, 25°C) = 287 Density (g/cm³) = 1.03309 Volume (L) = 1.04096 - Viscosity (mPa s) = 0.88756 + Viscosity (mPa s) = 1.00580 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.144e-03 Mass of water (kg) = 1.000e+00 @@ -1990,10 +1990,10 @@ Initial solution 1. pH = 2.960 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 417 + Specific Conductance (µS/cm, 25°C) = 290 Density (g/cm³) = 1.03398 Volume (L) = 1.04047 - Viscosity (mPa s) = 0.88761 + Viscosity (mPa s) = 1.00656 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.159e-03 Mass of water (kg) = 1.000e+00 @@ -2064,10 +2064,10 @@ Initial solution 1. pH = 2.954 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 423 + Specific Conductance (µS/cm, 25°C) = 294 Density (g/cm³) = 1.03486 Volume (L) = 1.03997 - Viscosity (mPa s) = 0.88768 + Viscosity (mPa s) = 1.00730 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.174e-03 Mass of water (kg) = 1.000e+00 @@ -2138,10 +2138,10 @@ Initial solution 1. pH = 2.949 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 429 + Specific Conductance (µS/cm, 25°C) = 297 Density (g/cm³) = 1.03574 Volume (L) = 1.03947 - Viscosity (mPa s) = 0.88776 + Viscosity (mPa s) = 1.00806 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.189e-03 Mass of water (kg) = 1.000e+00 @@ -2212,10 +2212,10 @@ Initial solution 1. pH = 2.944 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 434 + Specific Conductance (µS/cm, 25°C) = 301 Density (g/cm³) = 1.03661 Volume (L) = 1.03895 - Viscosity (mPa s) = 0.88785 + Viscosity (mPa s) = 1.00878 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.204e-03 Mass of water (kg) = 1.000e+00 @@ -2286,10 +2286,10 @@ Initial solution 1. pH = 2.938 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 440 + Specific Conductance (µS/cm, 25°C) = 304 Density (g/cm³) = 1.03748 Volume (L) = 1.03845 - Viscosity (mPa s) = 0.88796 + Viscosity (mPa s) = 1.00953 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.219e-03 Mass of water (kg) = 1.000e+00 @@ -2360,10 +2360,10 @@ Initial solution 1. pH = 2.933 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 446 + Specific Conductance (µS/cm, 25°C) = 308 Density (g/cm³) = 1.03834 Volume (L) = 1.03792 - Viscosity (mPa s) = 0.88808 + Viscosity (mPa s) = 1.01024 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.234e-03 Mass of water (kg) = 1.000e+00 @@ -2434,10 +2434,10 @@ Initial solution 1. pH = 2.928 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 452 + Specific Conductance (µS/cm, 25°C) = 311 Density (g/cm³) = 1.03920 Volume (L) = 1.03740 - Viscosity (mPa s) = 0.88821 + Viscosity (mPa s) = 1.01099 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.249e-03 Mass of water (kg) = 1.000e+00 @@ -2508,10 +2508,10 @@ Initial solution 1. pH = 2.923 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 458 + Specific Conductance (µS/cm, 25°C) = 315 Density (g/cm³) = 1.04004 Volume (L) = 1.03687 - Viscosity (mPa s) = 0.88835 + Viscosity (mPa s) = 1.01170 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.264e-03 Mass of water (kg) = 1.000e+00 @@ -2582,10 +2582,10 @@ Initial solution 1. pH = 2.918 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 464 + Specific Conductance (µS/cm, 25°C) = 318 Density (g/cm³) = 1.04089 Volume (L) = 1.03635 - Viscosity (mPa s) = 0.88851 + Viscosity (mPa s) = 1.01244 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.279e-03 Mass of water (kg) = 1.000e+00 @@ -2656,10 +2656,10 @@ Initial solution 1. pH = 2.913 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 469 + Specific Conductance (µS/cm, 25°C) = 322 Density (g/cm³) = 1.04173 Volume (L) = 1.03580 - Viscosity (mPa s) = 0.88868 + Viscosity (mPa s) = 1.01315 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.294e-03 Mass of water (kg) = 1.000e+00 @@ -2730,10 +2730,10 @@ Initial solution 1. pH = 2.908 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 475 + Specific Conductance (µS/cm, 25°C) = 325 Density (g/cm³) = 1.04256 Volume (L) = 1.03527 - Viscosity (mPa s) = 0.88887 + Viscosity (mPa s) = 1.01389 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.310e-03 Mass of water (kg) = 1.000e+00 @@ -2804,10 +2804,10 @@ Initial solution 1. pH = 2.903 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 481 + Specific Conductance (µS/cm, 25°C) = 329 Density (g/cm³) = 1.04339 Volume (L) = 1.03473 - Viscosity (mPa s) = 0.88906 + Viscosity (mPa s) = 1.01461 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.325e-03 Mass of water (kg) = 1.000e+00 @@ -2878,10 +2878,10 @@ Initial solution 1. pH = 2.898 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 487 + Specific Conductance (µS/cm, 25°C) = 332 Density (g/cm³) = 1.04422 Volume (L) = 1.03419 - Viscosity (mPa s) = 0.88927 + Viscosity (mPa s) = 1.01534 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.340e-03 Mass of water (kg) = 1.000e+00 @@ -2952,10 +2952,10 @@ Initial solution 1. pH = 2.893 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 493 + Specific Conductance (µS/cm, 25°C) = 336 Density (g/cm³) = 1.04503 Volume (L) = 1.03363 - Viscosity (mPa s) = 0.88950 + Viscosity (mPa s) = 1.01605 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.355e-03 Mass of water (kg) = 1.000e+00 @@ -3026,10 +3026,10 @@ Initial solution 1. pH = 2.888 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 499 + Specific Conductance (µS/cm, 25°C) = 340 Density (g/cm³) = 1.04585 Volume (L) = 1.03308 - Viscosity (mPa s) = 0.88973 + Viscosity (mPa s) = 1.01679 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.371e-03 Mass of water (kg) = 1.000e+00 @@ -3100,10 +3100,10 @@ Initial solution 1. pH = 2.884 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 505 + Specific Conductance (µS/cm, 25°C) = 343 Density (g/cm³) = 1.04666 Volume (L) = 1.03253 - Viscosity (mPa s) = 0.88998 + Viscosity (mPa s) = 1.01753 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.386e-03 Mass of water (kg) = 1.000e+00 @@ -3174,10 +3174,10 @@ Initial solution 1. pH = 2.879 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 511 + Specific Conductance (µS/cm, 25°C) = 347 Density (g/cm³) = 1.04747 Volume (L) = 1.03198 - Viscosity (mPa s) = 0.89024 + Viscosity (mPa s) = 1.01826 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.402e-03 Mass of water (kg) = 1.000e+00 @@ -3248,10 +3248,10 @@ Initial solution 1. pH = 2.874 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 517 + Specific Conductance (µS/cm, 25°C) = 351 Density (g/cm³) = 1.04827 Volume (L) = 1.03141 - Viscosity (mPa s) = 0.89051 + Viscosity (mPa s) = 1.01897 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.417e-03 Mass of water (kg) = 1.000e+00 @@ -3322,10 +3322,10 @@ Initial solution 1. pH = 2.870 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 523 + Specific Conductance (µS/cm, 25°C) = 354 Density (g/cm³) = 1.04907 Volume (L) = 1.03087 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 1.01975 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.433e-03 Mass of water (kg) = 1.000e+00 @@ -3396,10 +3396,10 @@ Initial solution 1. pH = 2.865 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 529 + Specific Conductance (µS/cm, 25°C) = 358 Density (g/cm³) = 1.04986 Volume (L) = 1.03029 - Viscosity (mPa s) = 0.89110 + Viscosity (mPa s) = 1.02046 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.449e-03 Mass of water (kg) = 1.000e+00 @@ -3470,10 +3470,10 @@ Initial solution 1. pH = 2.860 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 535 + Specific Conductance (µS/cm, 25°C) = 362 Density (g/cm³) = 1.05066 Volume (L) = 1.02974 - Viscosity (mPa s) = 0.89141 + Viscosity (mPa s) = 1.02123 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.464e-03 Mass of water (kg) = 1.000e+00 @@ -3544,10 +3544,10 @@ Initial solution 1. pH = 2.856 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 542 + Specific Conductance (µS/cm, 25°C) = 366 Density (g/cm³) = 1.05144 Volume (L) = 1.02916 - Viscosity (mPa s) = 0.89173 + Viscosity (mPa s) = 1.02197 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.480e-03 Mass of water (kg) = 1.000e+00 @@ -3618,10 +3618,10 @@ Initial solution 1. pH = 2.851 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 548 + Specific Conductance (µS/cm, 25°C) = 369 Density (g/cm³) = 1.05223 Volume (L) = 1.02859 - Viscosity (mPa s) = 0.89207 + Viscosity (mPa s) = 1.02271 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.496e-03 Mass of water (kg) = 1.000e+00 @@ -3692,10 +3692,10 @@ Initial solution 1. pH = 2.847 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 554 + Specific Conductance (µS/cm, 25°C) = 373 Density (g/cm³) = 1.05301 Volume (L) = 1.02803 - Viscosity (mPa s) = 0.89242 + Viscosity (mPa s) = 1.02350 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.512e-03 Mass of water (kg) = 1.000e+00 @@ -3766,10 +3766,10 @@ Initial solution 1. pH = 2.842 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 560 + Specific Conductance (µS/cm, 25°C) = 377 Density (g/cm³) = 1.05379 Volume (L) = 1.02745 - Viscosity (mPa s) = 0.89278 + Viscosity (mPa s) = 1.02425 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.528e-03 Mass of water (kg) = 1.000e+00 @@ -3937,7 +3937,7 @@ Initial solution 1. Specific Conductance (µS/cm, 50°C) = 55 Density (g/cm³) = 0.98822 Volume (L) = 1.01288 - Viscosity (mPa s) = 0.54655 + Viscosity (mPa s) = 0.54706 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.076e-04 Mass of water (kg) = 1.000e+00 @@ -4015,10 +4015,10 @@ Initial solution 1. pH = 3.355 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 228 + Specific Conductance (µS/cm, 50°C) = 219 Density (g/cm³) = 0.99213 Volume (L) = 1.02460 - Viscosity (mPa s) = 0.54702 + Viscosity (mPa s) = 0.55558 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.544e-04 Mass of water (kg) = 1.000e+00 @@ -4103,7 +4103,7 @@ CO2(g) 0.04 -1.67 -1.71 1.000e+01 1.036e+01 3.576e-01 Specific Conductance (µS/cm, 50°C) = 55 Density (g/cm³) = 0.98823 Volume (L) = 1.01287 - Viscosity (mPa s) = 0.54655 + Viscosity (mPa s) = 0.54706 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.076e-04 Mass of water (kg) = 1.000e+00 @@ -4181,10 +4181,10 @@ Initial solution 1. pH = 3.234 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 298 + Specific Conductance (µS/cm, 50°C) = 276 Density (g/cm³) = 0.99542 Volume (L) = 1.03399 - Viscosity (mPa s) = 0.54745 + Viscosity (mPa s) = 0.56257 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.049e-04 Mass of water (kg) = 1.000e+00 @@ -4266,10 +4266,10 @@ CO2(g) 1.28 -0.44 -1.72 1.000e+01 1.039e+01 3.950e-01 pH = 3.355 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 228 + Specific Conductance (µS/cm, 50°C) = 219 Density (g/cm³) = 0.99214 Volume (L) = 1.02457 - Viscosity (mPa s) = 0.54702 + Viscosity (mPa s) = 0.55559 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.544e-04 Mass of water (kg) = 1.000e+00 @@ -4347,10 +4347,10 @@ Initial solution 1. pH = 3.172 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 340 + Specific Conductance (µS/cm, 50°C) = 307 Density (g/cm³) = 0.99812 Volume (L) = 1.04107 - Viscosity (mPa s) = 0.54788 + Viscosity (mPa s) = 0.56810 Activity of water = 0.985 Ionic strength (mol/kgw) = 7.010e-04 Mass of water (kg) = 1.000e+00 @@ -4432,10 +4432,10 @@ CO2(g) 1.53 -0.20 -1.73 1.000e+01 1.060e+01 5.964e-01 pH = 3.234 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 298 + Specific Conductance (µS/cm, 50°C) = 276 Density (g/cm³) = 0.99542 Volume (L) = 1.03393 - Viscosity (mPa s) = 0.54746 + Viscosity (mPa s) = 0.56257 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.048e-04 Mass of water (kg) = 1.000e+00 @@ -4513,10 +4513,10 @@ Initial solution 1. pH = 3.135 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 368 + Specific Conductance (µS/cm, 50°C) = 326 Density (g/cm³) = 1.00029 Volume (L) = 1.04589 - Viscosity (mPa s) = 0.54830 + Viscosity (mPa s) = 0.57219 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.650e-04 Mass of water (kg) = 1.000e+00 @@ -4598,10 +4598,10 @@ CO2(g) 1.66 -0.08 -1.75 1.000e+01 1.172e+01 1.718e+00 pH = 3.172 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 340 + Specific Conductance (µS/cm, 50°C) = 307 Density (g/cm³) = 0.99813 Volume (L) = 1.04097 - Viscosity (mPa s) = 0.54788 + Viscosity (mPa s) = 0.56810 Activity of water = 0.985 Ionic strength (mol/kgw) = 7.010e-04 Mass of water (kg) = 9.999e-01 @@ -4679,10 +4679,10 @@ Initial solution 1. pH = 3.114 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 385 + Specific Conductance (µS/cm, 50°C) = 337 Density (g/cm³) = 1.00194 Volume (L) = 1.04851 - Viscosity (mPa s) = 0.54872 + Viscosity (mPa s) = 0.57488 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.055e-04 Mass of water (kg) = 1.000e+00 @@ -4764,10 +4764,10 @@ CO2(g) 1.74 -0.02 -1.76 1.000e+01 2.123e+01 1.123e+01 pH = 3.135 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 368 + Specific Conductance (µS/cm, 50°C) = 326 Density (g/cm³) = 1.00030 Volume (L) = 1.04585 - Viscosity (mPa s) = 0.54831 + Viscosity (mPa s) = 0.57218 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.650e-04 Mass of water (kg) = 1.000e+00 @@ -4845,10 +4845,10 @@ Initial solution 1. pH = 3.100 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 396 + Specific Conductance (µS/cm, 50°C) = 345 Density (g/cm³) = 1.00323 Volume (L) = 1.04957 - Viscosity (mPa s) = 0.54914 + Viscosity (mPa s) = 0.57659 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.314e-04 Mass of water (kg) = 1.000e+00 @@ -4930,10 +4930,10 @@ CO2(g) 1.79 0.02 -1.77 1.000e+01 1.851e+01 8.512e+00 pH = 3.114 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 385 + Specific Conductance (µS/cm, 50°C) = 337 Density (g/cm³) = 1.00197 Volume (L) = 1.04793 - Viscosity (mPa s) = 0.54874 + Viscosity (mPa s) = 0.57486 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.054e-04 Mass of water (kg) = 9.996e-01 @@ -5011,10 +5011,10 @@ Initial solution 1. pH = 3.090 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 405 + Specific Conductance (µS/cm, 50°C) = 351 Density (g/cm³) = 1.00440 Volume (L) = 1.05008 - Viscosity (mPa s) = 0.54957 + Viscosity (mPa s) = 0.57794 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.524e-04 Mass of water (kg) = 1.000e+00 @@ -5096,10 +5096,10 @@ CO2(g) 1.82 0.04 -1.78 1.000e+01 1.597e+01 5.975e+00 pH = 3.100 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 396 + Specific Conductance (µS/cm, 50°C) = 345 Density (g/cm³) = 1.00329 Volume (L) = 1.04833 - Viscosity (mPa s) = 0.54918 + Viscosity (mPa s) = 0.57656 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.312e-04 Mass of water (kg) = 9.990e-01 @@ -5177,10 +5177,10 @@ Initial solution 1. pH = 3.081 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 414 + Specific Conductance (µS/cm, 50°C) = 357 Density (g/cm³) = 1.00551 Volume (L) = 1.05035 - Viscosity (mPa s) = 0.54999 + Viscosity (mPa s) = 0.57915 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.713e-04 Mass of water (kg) = 1.000e+00 @@ -5262,10 +5262,10 @@ CO2(g) 1.84 0.05 -1.79 1.000e+01 1.484e+01 4.837e+00 pH = 3.090 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 405 + Specific Conductance (µS/cm, 50°C) = 351 Density (g/cm³) = 1.00446 Volume (L) = 1.04839 - Viscosity (mPa s) = 0.54961 + Viscosity (mPa s) = 0.57790 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.521e-04 Mass of water (kg) = 9.986e-01 @@ -5343,10 +5343,10 @@ Initial solution 1. pH = 3.072 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 422 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00658 Volume (L) = 1.05048 - Viscosity (mPa s) = 0.55042 + Viscosity (mPa s) = 0.58026 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.891e-04 Mass of water (kg) = 1.000e+00 @@ -5428,10 +5428,10 @@ CO2(g) 1.87 0.06 -1.81 1.000e+01 1.419e+01 4.190e+00 pH = 3.081 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 414 + Specific Conductance (µS/cm, 50°C) = 357 Density (g/cm³) = 1.00558 Volume (L) = 1.04833 - Viscosity (mPa s) = 0.55005 + Viscosity (mPa s) = 0.57909 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.710e-04 Mass of water (kg) = 9.984e-01 @@ -5509,10 +5509,10 @@ Initial solution 1. pH = 3.064 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 429 + Specific Conductance (µS/cm, 50°C) = 368 Density (g/cm³) = 1.00762 Volume (L) = 1.05052 - Viscosity (mPa s) = 0.55085 + Viscosity (mPa s) = 0.58132 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.061e-04 Mass of water (kg) = 1.000e+00 @@ -5594,10 +5594,10 @@ CO2(g) 1.89 0.07 -1.82 1.000e+01 1.376e+01 3.761e+00 pH = 3.072 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 422 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00666 Volume (L) = 1.04819 - Viscosity (mPa s) = 0.55049 + Viscosity (mPa s) = 0.58020 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.887e-04 Mass of water (kg) = 9.981e-01 @@ -5675,10 +5675,10 @@ Initial solution 1. pH = 3.056 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 437 + Specific Conductance (µS/cm, 50°C) = 374 Density (g/cm³) = 1.00865 Volume (L) = 1.05048 - Viscosity (mPa s) = 0.55129 + Viscosity (mPa s) = 0.58233 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.225e-04 Mass of water (kg) = 1.000e+00 @@ -5760,10 +5760,10 @@ CO2(g) 1.91 0.08 -1.83 1.000e+01 1.345e+01 3.448e+00 pH = 3.064 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 429 + Specific Conductance (µS/cm, 50°C) = 369 Density (g/cm³) = 1.00771 Volume (L) = 1.04801 - Viscosity (mPa s) = 0.55092 + Viscosity (mPa s) = 0.58125 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.056e-04 Mass of water (kg) = 9.980e-01 @@ -5841,10 +5841,10 @@ Initial solution 1. pH = 3.049 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 444 + Specific Conductance (µS/cm, 50°C) = 379 Density (g/cm³) = 1.00966 Volume (L) = 1.05039 - Viscosity (mPa s) = 0.55173 + Viscosity (mPa s) = 0.58331 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.386e-04 Mass of water (kg) = 1.000e+00 @@ -5926,10 +5926,10 @@ CO2(g) 1.92 0.08 -1.84 1.000e+01 1.321e+01 3.206e+00 pH = 3.057 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 437 + Specific Conductance (µS/cm, 50°C) = 374 Density (g/cm³) = 1.00874 Volume (L) = 1.04779 - Viscosity (mPa s) = 0.55136 + Viscosity (mPa s) = 0.58225 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.220e-04 Mass of water (kg) = 9.978e-01 @@ -6007,10 +6007,10 @@ Initial solution 1. pH = 3.042 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 451 + Specific Conductance (µS/cm, 50°C) = 384 Density (g/cm³) = 1.01065 Volume (L) = 1.05025 - Viscosity (mPa s) = 0.55217 + Viscosity (mPa s) = 0.58426 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.543e-04 Mass of water (kg) = 1.000e+00 @@ -6092,10 +6092,10 @@ CO2(g) 1.94 0.09 -1.85 1.000e+01 1.301e+01 3.012e+00 pH = 3.049 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 444 + Specific Conductance (µS/cm, 50°C) = 379 Density (g/cm³) = 1.00975 Volume (L) = 1.04753 - Viscosity (mPa s) = 0.55181 + Viscosity (mPa s) = 0.58323 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.380e-04 Mass of water (kg) = 9.977e-01 @@ -6173,10 +6173,10 @@ Initial solution 1. pH = 3.035 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 458 + Specific Conductance (µS/cm, 50°C) = 389 Density (g/cm³) = 1.01163 Volume (L) = 1.05008 - Viscosity (mPa s) = 0.55261 + Viscosity (mPa s) = 0.58519 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.697e-04 Mass of water (kg) = 1.000e+00 @@ -6258,10 +6258,10 @@ CO2(g) 1.96 0.10 -1.86 1.000e+01 1.285e+01 2.852e+00 pH = 3.042 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 451 + Specific Conductance (µS/cm, 50°C) = 385 Density (g/cm³) = 1.01074 Volume (L) = 1.04725 - Viscosity (mPa s) = 0.55225 + Viscosity (mPa s) = 0.58417 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.537e-04 Mass of water (kg) = 9.976e-01 @@ -6339,10 +6339,10 @@ Initial solution 1. pH = 3.029 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 465 + Specific Conductance (µS/cm, 50°C) = 394 Density (g/cm³) = 1.01260 Volume (L) = 1.04987 - Viscosity (mPa s) = 0.55306 + Viscosity (mPa s) = 0.58610 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.850e-04 Mass of water (kg) = 1.000e+00 @@ -6424,10 +6424,10 @@ CO2(g) 1.98 0.10 -1.88 1.000e+01 1.272e+01 2.716e+00 pH = 3.036 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 458 + Specific Conductance (µS/cm, 50°C) = 390 Density (g/cm³) = 1.01173 Volume (L) = 1.04695 - Viscosity (mPa s) = 0.55270 + Viscosity (mPa s) = 0.58510 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.691e-04 Mass of water (kg) = 9.974e-01 @@ -6505,10 +6505,10 @@ Initial solution 1. pH = 3.022 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 472 + Specific Conductance (µS/cm, 50°C) = 399 Density (g/cm³) = 1.01356 Volume (L) = 1.04963 - Viscosity (mPa s) = 0.55351 + Viscosity (mPa s) = 0.58699 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.000e+00 @@ -6590,10 +6590,10 @@ CO2(g) 1.99 0.11 -1.89 1.000e+01 1.260e+01 2.600e+00 pH = 3.029 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 465 + Specific Conductance (µS/cm, 50°C) = 395 Density (g/cm³) = 1.01270 Volume (L) = 1.04663 - Viscosity (mPa s) = 0.55315 + Viscosity (mPa s) = 0.58600 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.843e-04 Mass of water (kg) = 9.974e-01 @@ -6671,10 +6671,10 @@ Initial solution 1. pH = 3.016 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 479 + Specific Conductance (µS/cm, 50°C) = 405 Density (g/cm³) = 1.01451 Volume (L) = 1.04938 - Viscosity (mPa s) = 0.55396 + Viscosity (mPa s) = 0.58787 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.015e-03 Mass of water (kg) = 1.000e+00 @@ -6756,10 +6756,10 @@ CO2(g) 2.01 0.11 -1.90 1.000e+01 1.250e+01 2.499e+00 pH = 3.023 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 472 + Specific Conductance (µS/cm, 50°C) = 400 Density (g/cm³) = 1.01366 Volume (L) = 1.04629 - Viscosity (mPa s) = 0.55360 + Viscosity (mPa s) = 0.58689 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.994e-04 Mass of water (kg) = 9.973e-01 @@ -6837,10 +6837,10 @@ Initial solution 1. pH = 3.010 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 486 + Specific Conductance (µS/cm, 50°C) = 409 Density (g/cm³) = 1.01545 Volume (L) = 1.04910 - Viscosity (mPa s) = 0.55442 + Viscosity (mPa s) = 0.58873 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 1.000e+00 @@ -6922,10 +6922,10 @@ CO2(g) 2.02 0.11 -1.91 1.000e+01 1.241e+01 2.409e+00 pH = 3.016 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 479 + Specific Conductance (µS/cm, 50°C) = 405 Density (g/cm³) = 1.01461 Volume (L) = 1.04594 - Viscosity (mPa s) = 0.55406 + Viscosity (mPa s) = 0.58776 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.014e-03 Mass of water (kg) = 9.972e-01 @@ -7003,10 +7003,10 @@ Initial solution 1. pH = 3.004 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 493 + Specific Conductance (µS/cm, 50°C) = 414 Density (g/cm³) = 1.01638 Volume (L) = 1.04880 - Viscosity (mPa s) = 0.55488 + Viscosity (mPa s) = 0.58959 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.044e-03 Mass of water (kg) = 1.000e+00 @@ -7088,10 +7088,10 @@ CO2(g) 2.04 0.12 -1.92 1.000e+01 1.233e+01 2.329e+00 pH = 3.010 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 486 + Specific Conductance (µS/cm, 50°C) = 410 Density (g/cm³) = 1.01555 Volume (L) = 1.04558 - Viscosity (mPa s) = 0.55452 + Viscosity (mPa s) = 0.58862 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.029e-03 Mass of water (kg) = 9.971e-01 @@ -7169,10 +7169,10 @@ Initial solution 1. pH = 2.998 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 499 + Specific Conductance (µS/cm, 50°C) = 419 Density (g/cm³) = 1.01731 Volume (L) = 1.04849 - Viscosity (mPa s) = 0.55534 + Viscosity (mPa s) = 0.59044 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.059e-03 Mass of water (kg) = 1.000e+00 @@ -7254,10 +7254,10 @@ CO2(g) 2.05 0.12 -1.93 1.000e+01 1.226e+01 2.258e+00 pH = 3.004 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 493 + Specific Conductance (µS/cm, 50°C) = 415 Density (g/cm³) = 1.01648 Volume (L) = 1.04520 - Viscosity (mPa s) = 0.55498 + Viscosity (mPa s) = 0.58947 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.044e-03 Mass of water (kg) = 9.971e-01 @@ -7335,10 +7335,10 @@ Initial solution 1. pH = 2.992 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 506 + Specific Conductance (µS/cm, 50°C) = 424 Density (g/cm³) = 1.01822 Volume (L) = 1.04816 - Viscosity (mPa s) = 0.55580 + Viscosity (mPa s) = 0.59127 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.074e-03 Mass of water (kg) = 1.000e+00 @@ -7420,10 +7420,10 @@ CO2(g) 2.07 0.13 -1.94 1.000e+01 1.219e+01 2.191e+00 pH = 2.998 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 499 + Specific Conductance (µS/cm, 50°C) = 420 Density (g/cm³) = 1.01741 Volume (L) = 1.04481 - Viscosity (mPa s) = 0.55544 + Viscosity (mPa s) = 0.59032 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.058e-03 Mass of water (kg) = 9.970e-01 @@ -7501,10 +7501,10 @@ Initial solution 1. pH = 2.987 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 513 + Specific Conductance (µS/cm, 50°C) = 429 Density (g/cm³) = 1.01913 Volume (L) = 1.04781 - Viscosity (mPa s) = 0.55627 + Viscosity (mPa s) = 0.59210 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.088e-03 Mass of water (kg) = 1.000e+00 @@ -7586,10 +7586,10 @@ CO2(g) 2.09 0.13 -1.96 1.000e+01 1.213e+01 2.132e+00 pH = 2.993 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 506 + Specific Conductance (µS/cm, 50°C) = 425 Density (g/cm³) = 1.01833 Volume (L) = 1.04442 - Viscosity (mPa s) = 0.55591 + Viscosity (mPa s) = 0.59115 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.073e-03 Mass of water (kg) = 9.970e-01 @@ -7667,10 +7667,10 @@ Initial solution 1. pH = 2.981 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 520 + Specific Conductance (µS/cm, 50°C) = 434 Density (g/cm³) = 1.02004 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.55674 + Viscosity (mPa s) = 0.59292 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.103e-03 Mass of water (kg) = 1.000e+00 @@ -7752,10 +7752,10 @@ CO2(g) 2.10 0.13 -1.97 1.000e+01 1.208e+01 2.078e+00 pH = 2.987 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 513 + Specific Conductance (µS/cm, 50°C) = 430 Density (g/cm³) = 1.01923 Volume (L) = 1.04401 - Viscosity (mPa s) = 0.55638 + Viscosity (mPa s) = 0.59197 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.087e-03 Mass of water (kg) = 9.969e-01 @@ -7833,10 +7833,10 @@ Initial solution 1. pH = 2.976 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 526 + Specific Conductance (µS/cm, 50°C) = 439 Density (g/cm³) = 1.02093 Volume (L) = 1.04708 - Viscosity (mPa s) = 0.55722 + Viscosity (mPa s) = 0.59374 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.117e-03 Mass of water (kg) = 1.000e+00 @@ -7918,10 +7918,10 @@ CO2(g) 2.11 0.14 -1.98 1.000e+01 1.203e+01 2.027e+00 pH = 2.981 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 520 + Specific Conductance (µS/cm, 50°C) = 435 Density (g/cm³) = 1.02014 Volume (L) = 1.04360 - Viscosity (mPa s) = 0.55685 + Viscosity (mPa s) = 0.59280 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.102e-03 Mass of water (kg) = 9.969e-01 @@ -7999,10 +7999,10 @@ Initial solution 1. pH = 2.970 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 533 + Specific Conductance (µS/cm, 50°C) = 444 Density (g/cm³) = 1.02182 Volume (L) = 1.04670 - Viscosity (mPa s) = 0.55770 + Viscosity (mPa s) = 0.59455 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.131e-03 Mass of water (kg) = 1.000e+00 @@ -8084,10 +8084,10 @@ CO2(g) 2.13 0.14 -1.99 1.000e+01 1.198e+01 1.981e+00 pH = 2.976 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 526 + Specific Conductance (µS/cm, 50°C) = 440 Density (g/cm³) = 1.02103 Volume (L) = 1.04318 - Viscosity (mPa s) = 0.55733 + Viscosity (mPa s) = 0.59361 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.116e-03 Mass of water (kg) = 9.968e-01 @@ -8165,10 +8165,10 @@ Initial solution 1. pH = 2.965 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 539 + Specific Conductance (µS/cm, 50°C) = 449 Density (g/cm³) = 1.02270 Volume (L) = 1.04631 - Viscosity (mPa s) = 0.55818 + Viscosity (mPa s) = 0.59535 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.146e-03 Mass of water (kg) = 1.000e+00 @@ -8250,10 +8250,10 @@ CO2(g) 2.14 0.14 -2.00 1.000e+01 1.194e+01 1.937e+00 pH = 2.971 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 533 + Specific Conductance (µS/cm, 50°C) = 445 Density (g/cm³) = 1.02192 Volume (L) = 1.04275 - Viscosity (mPa s) = 0.55781 + Viscosity (mPa s) = 0.59441 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.130e-03 Mass of water (kg) = 9.968e-01 @@ -8331,10 +8331,10 @@ Initial solution 1. pH = 2.960 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 546 + Specific Conductance (µS/cm, 50°C) = 454 Density (g/cm³) = 1.02358 Volume (L) = 1.04592 - Viscosity (mPa s) = 0.55866 + Viscosity (mPa s) = 0.59616 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.160e-03 Mass of water (kg) = 1.000e+00 @@ -8416,10 +8416,10 @@ CO2(g) 2.16 0.14 -2.01 1.000e+01 1.190e+01 1.897e+00 pH = 2.965 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 540 + Specific Conductance (µS/cm, 50°C) = 450 Density (g/cm³) = 1.02280 Volume (L) = 1.04232 - Viscosity (mPa s) = 0.55829 + Viscosity (mPa s) = 0.59522 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.145e-03 Mass of water (kg) = 9.967e-01 @@ -8497,10 +8497,10 @@ Initial solution 1. pH = 2.954 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 553 + Specific Conductance (µS/cm, 50°C) = 459 Density (g/cm³) = 1.02445 Volume (L) = 1.04550 - Viscosity (mPa s) = 0.55915 + Viscosity (mPa s) = 0.59695 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.174e-03 Mass of water (kg) = 1.000e+00 @@ -8582,10 +8582,10 @@ CO2(g) 2.17 0.15 -2.02 1.000e+01 1.186e+01 1.858e+00 pH = 2.960 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 546 + Specific Conductance (µS/cm, 50°C) = 455 Density (g/cm³) = 1.02368 Volume (L) = 1.04188 - Viscosity (mPa s) = 0.55878 + Viscosity (mPa s) = 0.59602 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.159e-03 Mass of water (kg) = 9.967e-01 @@ -8663,10 +8663,10 @@ Initial solution 1. pH = 2.949 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 559 + Specific Conductance (µS/cm, 50°C) = 464 Density (g/cm³) = 1.02532 Volume (L) = 1.04510 - Viscosity (mPa s) = 0.55964 + Viscosity (mPa s) = 0.59775 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.188e-03 Mass of water (kg) = 1.000e+00 @@ -8748,10 +8748,10 @@ CO2(g) 2.19 0.15 -2.04 1.000e+01 1.182e+01 1.823e+00 pH = 2.955 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 553 + Specific Conductance (µS/cm, 50°C) = 459 Density (g/cm³) = 1.02455 Volume (L) = 1.04144 - Viscosity (mPa s) = 0.55926 + Viscosity (mPa s) = 0.59681 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.173e-03 Mass of water (kg) = 9.967e-01 @@ -8829,10 +8829,10 @@ Initial solution 1. pH = 2.944 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 566 + Specific Conductance (µS/cm, 50°C) = 469 Density (g/cm³) = 1.02617 Volume (L) = 1.04466 - Viscosity (mPa s) = 0.56013 + Viscosity (mPa s) = 0.59853 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.203e-03 Mass of water (kg) = 1.000e+00 @@ -8914,10 +8914,10 @@ CO2(g) 2.20 0.15 -2.05 1.000e+01 1.179e+01 1.788e+00 pH = 2.950 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 559 + Specific Conductance (µS/cm, 50°C) = 464 Density (g/cm³) = 1.02542 Volume (L) = 1.04099 - Viscosity (mPa s) = 0.55976 + Viscosity (mPa s) = 0.59760 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.187e-03 Mass of water (kg) = 9.967e-01 @@ -8995,10 +8995,10 @@ Initial solution 1. pH = 2.939 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 573 + Specific Conductance (µS/cm, 50°C) = 474 Density (g/cm³) = 1.02703 Volume (L) = 1.04425 - Viscosity (mPa s) = 0.56063 + Viscosity (mPa s) = 0.59932 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.217e-03 Mass of water (kg) = 1.000e+00 @@ -9080,10 +9080,10 @@ CO2(g) 2.21 0.16 -2.06 1.000e+01 1.176e+01 1.758e+00 pH = 2.945 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 566 + Specific Conductance (µS/cm, 50°C) = 469 Density (g/cm³) = 1.02627 Volume (L) = 1.04054 - Viscosity (mPa s) = 0.56025 + Viscosity (mPa s) = 0.59838 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 9.966e-01 @@ -9161,10 +9161,10 @@ Initial solution 1. pH = 2.934 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 579 + Specific Conductance (µS/cm, 50°C) = 478 Density (g/cm³) = 1.02787 Volume (L) = 1.04380 - Viscosity (mPa s) = 0.56112 + Viscosity (mPa s) = 0.60010 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.231e-03 Mass of water (kg) = 1.000e+00 @@ -9246,10 +9246,10 @@ CO2(g) 2.23 0.16 -2.07 1.000e+01 1.173e+01 1.726e+00 pH = 2.940 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 573 + Specific Conductance (µS/cm, 50°C) = 474 Density (g/cm³) = 1.02713 Volume (L) = 1.04008 - Viscosity (mPa s) = 0.56075 + Viscosity (mPa s) = 0.59917 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.216e-03 Mass of water (kg) = 9.966e-01 @@ -9327,10 +9327,10 @@ Initial solution 1. pH = 2.930 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 586 + Specific Conductance (µS/cm, 50°C) = 483 Density (g/cm³) = 1.02872 Volume (L) = 1.04337 - Viscosity (mPa s) = 0.56163 + Viscosity (mPa s) = 0.60088 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.245e-03 Mass of water (kg) = 1.000e+00 @@ -9412,10 +9412,10 @@ CO2(g) 2.24 0.16 -2.08 1.000e+01 1.170e+01 1.699e+00 pH = 2.935 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 579 + Specific Conductance (µS/cm, 50°C) = 479 Density (g/cm³) = 1.02797 Volume (L) = 1.03962 - Viscosity (mPa s) = 0.56125 + Viscosity (mPa s) = 0.59995 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.230e-03 Mass of water (kg) = 9.966e-01 @@ -9493,10 +9493,10 @@ Initial solution 1. pH = 2.925 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 592 + Specific Conductance (µS/cm, 50°C) = 488 Density (g/cm³) = 1.02956 Volume (L) = 1.04292 - Viscosity (mPa s) = 0.56213 + Viscosity (mPa s) = 0.60165 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.259e-03 Mass of water (kg) = 1.000e+00 @@ -9578,10 +9578,10 @@ CO2(g) 2.25 0.16 -2.09 1.000e+01 1.167e+01 1.671e+00 pH = 2.930 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 586 + Specific Conductance (µS/cm, 50°C) = 484 Density (g/cm³) = 1.02882 Volume (L) = 1.03915 - Viscosity (mPa s) = 0.56175 + Viscosity (mPa s) = 0.60073 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.244e-03 Mass of water (kg) = 9.966e-01 @@ -9659,10 +9659,10 @@ Initial solution 1. pH = 2.920 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 599 + Specific Conductance (µS/cm, 50°C) = 493 Density (g/cm³) = 1.03039 Volume (L) = 1.04247 - Viscosity (mPa s) = 0.56264 + Viscosity (mPa s) = 0.60243 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.274e-03 Mass of water (kg) = 1.000e+00 @@ -9744,10 +9744,10 @@ CO2(g) 2.27 0.16 -2.10 1.000e+01 1.165e+01 1.645e+00 pH = 2.925 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 592 + Specific Conductance (µS/cm, 50°C) = 489 Density (g/cm³) = 1.02965 Volume (L) = 1.03868 - Viscosity (mPa s) = 0.56226 + Viscosity (mPa s) = 0.60150 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.258e-03 Mass of water (kg) = 9.965e-01 @@ -9825,10 +9825,10 @@ Initial solution 1. pH = 2.915 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 606 + Specific Conductance (µS/cm, 50°C) = 498 Density (g/cm³) = 1.03122 Volume (L) = 1.04201 - Viscosity (mPa s) = 0.56315 + Viscosity (mPa s) = 0.60321 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.288e-03 Mass of water (kg) = 1.000e+00 @@ -9910,10 +9910,10 @@ CO2(g) 2.28 0.17 -2.11 1.000e+01 1.162e+01 1.620e+00 pH = 2.920 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 599 + Specific Conductance (µS/cm, 50°C) = 494 Density (g/cm³) = 1.03049 Volume (L) = 1.03821 - Viscosity (mPa s) = 0.56277 + Viscosity (mPa s) = 0.60228 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.272e-03 Mass of water (kg) = 9.965e-01 @@ -9991,10 +9991,10 @@ Initial solution 1. pH = 2.911 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 612 + Specific Conductance (µS/cm, 50°C) = 503 Density (g/cm³) = 1.03204 Volume (L) = 1.04155 - Viscosity (mPa s) = 0.56367 + Viscosity (mPa s) = 0.60398 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.302e-03 Mass of water (kg) = 1.000e+00 @@ -10076,10 +10076,10 @@ CO2(g) 2.29 0.17 -2.13 1.000e+01 1.160e+01 1.597e+00 pH = 2.916 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 606 + Specific Conductance (µS/cm, 50°C) = 499 Density (g/cm³) = 1.03131 Volume (L) = 1.03774 - Viscosity (mPa s) = 0.56328 + Viscosity (mPa s) = 0.60305 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.287e-03 Mass of water (kg) = 9.965e-01 @@ -10157,10 +10157,10 @@ Initial solution 1. pH = 2.906 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 619 + Specific Conductance (µS/cm, 50°C) = 508 Density (g/cm³) = 1.03286 Volume (L) = 1.04108 - Viscosity (mPa s) = 0.56419 + Viscosity (mPa s) = 0.60474 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.316e-03 Mass of water (kg) = 1.000e+00 @@ -10242,10 +10242,10 @@ CO2(g) 2.31 0.17 -2.14 1.000e+01 1.157e+01 1.574e+00 pH = 2.911 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 612 + Specific Conductance (µS/cm, 50°C) = 504 Density (g/cm³) = 1.03214 Volume (L) = 1.03726 - Viscosity (mPa s) = 0.56380 + Viscosity (mPa s) = 0.60382 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.301e-03 Mass of water (kg) = 9.965e-01 @@ -10323,10 +10323,10 @@ Initial solution 1. pH = 2.901 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 626 + Specific Conductance (µS/cm, 50°C) = 513 Density (g/cm³) = 1.03367 Volume (L) = 1.04061 - Viscosity (mPa s) = 0.56471 + Viscosity (mPa s) = 0.60552 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.331e-03 Mass of water (kg) = 1.000e+00 @@ -10408,10 +10408,10 @@ CO2(g) 2.32 0.17 -2.15 1.000e+01 1.155e+01 1.553e+00 pH = 2.906 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 619 + Specific Conductance (µS/cm, 50°C) = 509 Density (g/cm³) = 1.03295 Volume (L) = 1.03678 - Viscosity (mPa s) = 0.56432 + Viscosity (mPa s) = 0.60458 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.315e-03 Mass of water (kg) = 9.965e-01 @@ -10489,10 +10489,10 @@ Initial solution 1. pH = 2.897 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 632 + Specific Conductance (µS/cm, 50°C) = 518 Density (g/cm³) = 1.03448 Volume (L) = 1.04014 - Viscosity (mPa s) = 0.56523 + Viscosity (mPa s) = 0.60629 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.345e-03 Mass of water (kg) = 1.000e+00 @@ -10574,10 +10574,10 @@ CO2(g) 2.33 0.17 -2.16 1.000e+01 1.153e+01 1.532e+00 pH = 2.902 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 626 + Specific Conductance (µS/cm, 50°C) = 514 Density (g/cm³) = 1.03377 Volume (L) = 1.03630 - Viscosity (mPa s) = 0.56484 + Viscosity (mPa s) = 0.60535 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.329e-03 Mass of water (kg) = 9.965e-01 @@ -10655,10 +10655,10 @@ Initial solution 1. pH = 2.892 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 639 + Specific Conductance (µS/cm, 50°C) = 523 Density (g/cm³) = 1.03529 Volume (L) = 1.03967 - Viscosity (mPa s) = 0.56576 + Viscosity (mPa s) = 0.60705 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.359e-03 Mass of water (kg) = 1.000e+00 @@ -10740,10 +10740,10 @@ CO2(g) 2.35 0.18 -2.17 1.000e+01 1.151e+01 1.511e+00 pH = 2.897 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 632 + Specific Conductance (µS/cm, 50°C) = 519 Density (g/cm³) = 1.03458 Volume (L) = 1.03581 - Viscosity (mPa s) = 0.56537 + Viscosity (mPa s) = 0.60612 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.343e-03 Mass of water (kg) = 9.965e-01 @@ -10821,10 +10821,10 @@ Initial solution 1. pH = 2.888 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 646 + Specific Conductance (µS/cm, 50°C) = 528 Density (g/cm³) = 1.03609 Volume (L) = 1.03917 - Viscosity (mPa s) = 0.56629 + Viscosity (mPa s) = 0.60781 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.373e-03 Mass of water (kg) = 1.000e+00 @@ -10906,10 +10906,10 @@ CO2(g) 2.36 0.18 -2.18 1.000e+01 1.149e+01 1.492e+00 pH = 2.893 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 639 + Specific Conductance (µS/cm, 50°C) = 524 Density (g/cm³) = 1.03538 Volume (L) = 1.03533 - Viscosity (mPa s) = 0.56590 + Viscosity (mPa s) = 0.60689 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.358e-03 Mass of water (kg) = 9.965e-01 @@ -10987,10 +10987,10 @@ Initial solution 1. pH = 2.884 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 652 + Specific Conductance (µS/cm, 50°C) = 533 Density (g/cm³) = 1.03689 Volume (L) = 1.03871 - Viscosity (mPa s) = 0.56683 + Viscosity (mPa s) = 0.60859 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.388e-03 Mass of water (kg) = 1.000e+00 @@ -11072,10 +11072,10 @@ CO2(g) 2.37 0.18 -2.19 1.000e+01 1.147e+01 1.474e+00 pH = 2.888 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 646 + Specific Conductance (µS/cm, 50°C) = 529 Density (g/cm³) = 1.03618 Volume (L) = 1.03484 - Viscosity (mPa s) = 0.56643 + Viscosity (mPa s) = 0.60765 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.372e-03 Mass of water (kg) = 9.964e-01 @@ -11153,10 +11153,10 @@ Initial solution 1. pH = 2.879 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 659 + Specific Conductance (µS/cm, 50°C) = 538 Density (g/cm³) = 1.03768 Volume (L) = 1.03821 - Viscosity (mPa s) = 0.56737 + Viscosity (mPa s) = 0.60935 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.402e-03 Mass of water (kg) = 1.000e+00 @@ -11238,10 +11238,10 @@ CO2(g) 2.38 0.18 -2.20 1.000e+01 1.146e+01 1.455e+00 pH = 2.884 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 652 + Specific Conductance (µS/cm, 50°C) = 534 Density (g/cm³) = 1.03698 Volume (L) = 1.03434 - Viscosity (mPa s) = 0.56697 + Viscosity (mPa s) = 0.60842 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.386e-03 Mass of water (kg) = 9.964e-01 @@ -11319,10 +11319,10 @@ Initial solution 1. pH = 2.875 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 666 + Specific Conductance (µS/cm, 50°C) = 543 Density (g/cm³) = 1.03847 Volume (L) = 1.03773 - Viscosity (mPa s) = 0.56791 + Viscosity (mPa s) = 0.61012 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.416e-03 Mass of water (kg) = 1.000e+00 @@ -11404,10 +11404,10 @@ CO2(g) 2.40 0.18 -2.22 1.000e+01 1.144e+01 1.439e+00 pH = 2.880 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 659 + Specific Conductance (µS/cm, 50°C) = 539 Density (g/cm³) = 1.03777 Volume (L) = 1.03385 - Viscosity (mPa s) = 0.56751 + Viscosity (mPa s) = 0.60918 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.400e-03 Mass of water (kg) = 9.964e-01 @@ -11485,10 +11485,10 @@ Initial solution 1. pH = 2.871 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 672 + Specific Conductance (µS/cm, 50°C) = 548 Density (g/cm³) = 1.03926 Volume (L) = 1.03723 - Viscosity (mPa s) = 0.56846 + Viscosity (mPa s) = 0.61089 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.431e-03 Mass of water (kg) = 1.000e+00 @@ -11570,10 +11570,10 @@ CO2(g) 2.41 0.18 -2.23 1.000e+01 1.142e+01 1.421e+00 pH = 2.875 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 666 + Specific Conductance (µS/cm, 50°C) = 544 Density (g/cm³) = 1.03856 Volume (L) = 1.03335 - Viscosity (mPa s) = 0.56805 + Viscosity (mPa s) = 0.60995 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.415e-03 Mass of water (kg) = 9.964e-01 @@ -11651,10 +11651,10 @@ Initial solution 1. pH = 2.867 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 679 + Specific Conductance (µS/cm, 50°C) = 553 Density (g/cm³) = 1.04004 Volume (L) = 1.03673 - Viscosity (mPa s) = 0.56900 + Viscosity (mPa s) = 0.61165 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.445e-03 Mass of water (kg) = 1.000e+00 @@ -11736,10 +11736,10 @@ CO2(g) 2.42 0.18 -2.24 1.000e+01 1.141e+01 1.405e+00 pH = 2.871 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 672 + Specific Conductance (µS/cm, 50°C) = 549 Density (g/cm³) = 1.03934 Volume (L) = 1.03286 - Viscosity (mPa s) = 0.56860 + Viscosity (mPa s) = 0.61072 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.429e-03 Mass of water (kg) = 9.964e-01 @@ -11817,10 +11817,10 @@ Initial solution 1. pH = 2.862 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 686 + Specific Conductance (µS/cm, 50°C) = 558 Density (g/cm³) = 1.04082 Volume (L) = 1.03625 - Viscosity (mPa s) = 0.56956 + Viscosity (mPa s) = 0.61242 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.459e-03 Mass of water (kg) = 1.000e+00 @@ -11902,10 +11902,10 @@ CO2(g) 2.44 0.19 -2.25 1.000e+01 1.139e+01 1.390e+00 pH = 2.867 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 679 + Specific Conductance (µS/cm, 50°C) = 554 Density (g/cm³) = 1.04012 Volume (L) = 1.03236 - Viscosity (mPa s) = 0.56915 + Viscosity (mPa s) = 0.61148 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.443e-03 Mass of water (kg) = 9.964e-01 @@ -11983,10 +11983,10 @@ Initial solution 1. pH = 2.858 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 693 + Specific Conductance (µS/cm, 50°C) = 563 Density (g/cm³) = 1.04159 Volume (L) = 1.03574 - Viscosity (mPa s) = 0.57011 + Viscosity (mPa s) = 0.61318 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.474e-03 Mass of water (kg) = 1.000e+00 @@ -12068,10 +12068,10 @@ CO2(g) 2.45 0.19 -2.26 1.000e+01 1.137e+01 1.374e+00 pH = 2.863 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 686 + Specific Conductance (µS/cm, 50°C) = 559 Density (g/cm³) = 1.04090 Volume (L) = 1.03186 - Viscosity (mPa s) = 0.56970 + Viscosity (mPa s) = 0.61225 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.458e-03 Mass of water (kg) = 9.964e-01 @@ -12246,7 +12246,7 @@ Initial solution 1. Specific Conductance (µS/cm, 75°C) = 53 Density (g/cm³) = 0.97496 Volume (L) = 1.02635 - Viscosity (mPa s) = 0.37744 + Viscosity (mPa s) = 0.37759 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.560e-05 Mass of water (kg) = 1.000e+00 @@ -12324,10 +12324,10 @@ Initial solution 1. pH = 3.449 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 224 + Specific Conductance (µS/cm, 75°C) = 220 Density (g/cm³) = 0.97776 Volume (L) = 1.03463 - Viscosity (mPa s) = 0.37801 + Viscosity (mPa s) = 0.38067 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.651e-04 Mass of water (kg) = 1.000e+00 @@ -12412,7 +12412,7 @@ CO2(g) 0.04 -1.83 -1.87 1.000e+01 1.026e+01 2.557e-01 Specific Conductance (µS/cm, 75°C) = 53 Density (g/cm³) = 0.97497 Volume (L) = 1.02617 - Viscosity (mPa s) = 0.37745 + Viscosity (mPa s) = 0.37760 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.560e-05 Mass of water (kg) = 9.998e-01 @@ -12490,10 +12490,10 @@ Initial solution 1. pH = 3.322 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 297 + Specific Conductance (µS/cm, 75°C) = 287 Density (g/cm³) = 0.98027 Volume (L) = 1.04162 - Viscosity (mPa s) = 0.37856 + Viscosity (mPa s) = 0.38337 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.918e-04 Mass of water (kg) = 1.000e+00 @@ -12575,10 +12575,10 @@ CO2(g) 1.29 -0.59 -1.89 1.000e+01 1.040e+01 4.011e-01 pH = 3.449 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 224 + Specific Conductance (µS/cm, 75°C) = 220 Density (g/cm³) = 0.97778 Volume (L) = 1.03439 - Viscosity (mPa s) = 0.37802 + Viscosity (mPa s) = 0.38068 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.651e-04 Mass of water (kg) = 9.998e-01 @@ -12656,10 +12656,10 @@ Initial solution 1. pH = 3.254 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 344 + Specific Conductance (µS/cm, 75°C) = 328 Density (g/cm³) = 0.98250 Volume (L) = 1.04735 - Viscosity (mPa s) = 0.37911 + Viscosity (mPa s) = 0.38574 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.778e-04 Mass of water (kg) = 1.000e+00 @@ -12741,10 +12741,10 @@ CO2(g) 1.55 -0.34 -1.90 1.000e+01 1.079e+01 7.862e-01 pH = 3.322 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 297 + Specific Conductance (µS/cm, 75°C) = 287 Density (g/cm³) = 0.98029 Volume (L) = 1.04129 - Viscosity (mPa s) = 0.37858 + Viscosity (mPa s) = 0.38339 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.918e-04 Mass of water (kg) = 9.997e-01 @@ -12822,10 +12822,10 @@ Initial solution 1. pH = 3.211 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 378 + Specific Conductance (µS/cm, 75°C) = 356 Density (g/cm³) = 0.98448 Volume (L) = 1.05185 - Viscosity (mPa s) = 0.37965 + Viscosity (mPa s) = 0.38777 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.407e-04 Mass of water (kg) = 1.000e+00 @@ -12907,10 +12907,10 @@ CO2(g) 1.69 -0.21 -1.91 1.000e+01 1.227e+01 2.269e+00 pH = 3.254 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 344 + Specific Conductance (µS/cm, 75°C) = 328 Density (g/cm³) = 0.98253 Volume (L) = 1.04693 - Viscosity (mPa s) = 0.37913 + Viscosity (mPa s) = 0.38575 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.777e-04 Mass of water (kg) = 9.997e-01 @@ -12988,10 +12988,10 @@ Initial solution 1. pH = 3.181 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 403 + Specific Conductance (µS/cm, 75°C) = 376 Density (g/cm³) = 0.98622 Volume (L) = 1.05522 - Viscosity (mPa s) = 0.38019 + Viscosity (mPa s) = 0.38950 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.882e-04 Mass of water (kg) = 1.000e+00 @@ -13073,10 +13073,10 @@ CO2(g) 1.79 -0.13 -1.92 1.000e+01 2.265e+01 1.265e+01 pH = 3.211 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 378 + Specific Conductance (µS/cm, 75°C) = 356 Density (g/cm³) = 0.98451 Volume (L) = 1.05146 - Viscosity (mPa s) = 0.37968 + Viscosity (mPa s) = 0.38779 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.406e-04 Mass of water (kg) = 9.997e-01 @@ -13154,10 +13154,10 @@ Initial solution 1. pH = 3.159 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 421 + Specific Conductance (µS/cm, 75°C) = 391 Density (g/cm³) = 0.98775 Volume (L) = 1.05758 - Viscosity (mPa s) = 0.38073 + Viscosity (mPa s) = 0.39096 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.245e-04 Mass of water (kg) = 1.000e+00 @@ -13239,10 +13239,10 @@ CO2(g) 1.85 -0.08 -1.93 1.000e+01 2.226e+01 1.226e+01 pH = 3.181 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 403 + Specific Conductance (µS/cm, 75°C) = 376 Density (g/cm³) = 0.98626 Volume (L) = 1.05446 - Viscosity (mPa s) = 0.38023 + Viscosity (mPa s) = 0.38952 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.880e-04 Mass of water (kg) = 9.994e-01 @@ -13320,10 +13320,10 @@ Initial solution 1. pH = 3.143 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 436 + Specific Conductance (µS/cm, 75°C) = 403 Density (g/cm³) = 0.98912 Volume (L) = 1.05917 - Viscosity (mPa s) = 0.38127 + Viscosity (mPa s) = 0.39221 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.534e-04 Mass of water (kg) = 1.000e+00 @@ -13405,10 +13405,10 @@ CO2(g) 1.90 -0.05 -1.94 1.000e+01 2.118e+01 1.118e+01 pH = 3.159 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 421 + Specific Conductance (µS/cm, 75°C) = 391 Density (g/cm³) = 0.98781 Volume (L) = 1.05633 - Viscosity (mPa s) = 0.38079 + Viscosity (mPa s) = 0.39099 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.244e-04 Mass of water (kg) = 9.990e-01 @@ -13486,10 +13486,10 @@ Initial solution 1. pH = 3.129 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 448 + Specific Conductance (µS/cm, 75°C) = 412 Density (g/cm³) = 0.99039 Volume (L) = 1.06023 - Viscosity (mPa s) = 0.38181 + Viscosity (mPa s) = 0.39332 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.774e-04 Mass of water (kg) = 1.000e+00 @@ -13571,10 +13571,10 @@ CO2(g) 1.93 -0.02 -1.95 1.000e+01 1.984e+01 9.842e+00 pH = 3.143 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 436 + Specific Conductance (µS/cm, 75°C) = 403 Density (g/cm³) = 0.98921 Volume (L) = 1.05730 - Viscosity (mPa s) = 0.38134 + Viscosity (mPa s) = 0.39224 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.531e-04 Mass of water (kg) = 9.985e-01 @@ -13652,10 +13652,10 @@ Initial solution 1. pH = 3.118 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 459 + Specific Conductance (µS/cm, 75°C) = 421 Density (g/cm³) = 0.99158 Volume (L) = 1.06094 - Viscosity (mPa s) = 0.38235 + Viscosity (mPa s) = 0.39433 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.985e-04 Mass of water (kg) = 1.000e+00 @@ -13737,10 +13737,10 @@ CO2(g) 1.96 -0.00 -1.96 1.000e+01 1.867e+01 8.668e+00 pH = 3.130 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 448 + Specific Conductance (µS/cm, 75°C) = 413 Density (g/cm³) = 0.99049 Volume (L) = 1.05774 - Viscosity (mPa s) = 0.38190 + Viscosity (mPa s) = 0.39336 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.770e-04 Mass of water (kg) = 9.980e-01 @@ -13818,10 +13818,10 @@ Initial solution 1. pH = 3.108 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 469 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99272 Volume (L) = 1.06143 - Viscosity (mPa s) = 0.38288 + Viscosity (mPa s) = 0.39529 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.177e-04 Mass of water (kg) = 1.000e+00 @@ -13903,10 +13903,10 @@ CO2(g) 1.99 0.01 -1.98 1.000e+01 1.777e+01 7.770e+00 pH = 3.118 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 459 + Specific Conductance (µS/cm, 75°C) = 421 Density (g/cm³) = 0.99170 Volume (L) = 1.05790 - Viscosity (mPa s) = 0.38245 + Viscosity (mPa s) = 0.39437 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.980e-04 Mass of water (kg) = 9.976e-01 @@ -13984,10 +13984,10 @@ Initial solution 1. pH = 3.099 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 478 + Specific Conductance (µS/cm, 75°C) = 436 Density (g/cm³) = 0.99383 Volume (L) = 1.06178 - Viscosity (mPa s) = 0.38342 + Viscosity (mPa s) = 0.39620 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.357e-04 Mass of water (kg) = 1.000e+00 @@ -14069,10 +14069,10 @@ CO2(g) 2.01 0.02 -1.99 1.000e+01 1.709e+01 7.090e+00 pH = 3.108 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 469 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99286 Volume (L) = 1.05793 - Viscosity (mPa s) = 0.38300 + Viscosity (mPa s) = 0.39533 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.172e-04 Mass of water (kg) = 9.972e-01 @@ -14150,10 +14150,10 @@ Initial solution 1. pH = 3.091 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 487 + Specific Conductance (µS/cm, 75°C) = 443 Density (g/cm³) = 0.99491 Volume (L) = 1.06200 - Viscosity (mPa s) = 0.38396 + Viscosity (mPa s) = 0.39708 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.528e-04 Mass of water (kg) = 1.000e+00 @@ -14235,10 +14235,10 @@ CO2(g) 2.03 0.03 -2.00 1.000e+01 1.656e+01 6.560e+00 pH = 3.099 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 478 + Specific Conductance (µS/cm, 75°C) = 437 Density (g/cm³) = 0.99398 Volume (L) = 1.05786 - Viscosity (mPa s) = 0.38355 + Viscosity (mPa s) = 0.39624 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.351e-04 Mass of water (kg) = 9.969e-01 @@ -14316,10 +14316,10 @@ Initial solution 1. pH = 3.082 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 496 + Specific Conductance (µS/cm, 75°C) = 450 Density (g/cm³) = 0.99597 Volume (L) = 1.06214 - Viscosity (mPa s) = 0.38449 + Viscosity (mPa s) = 0.39793 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.692e-04 Mass of water (kg) = 1.000e+00 @@ -14401,10 +14401,10 @@ CO2(g) 2.05 0.04 -2.01 1.000e+01 1.614e+01 6.138e+00 pH = 3.091 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 487 + Specific Conductance (µS/cm, 75°C) = 444 Density (g/cm³) = 0.99507 Volume (L) = 1.05774 - Viscosity (mPa s) = 0.38410 + Viscosity (mPa s) = 0.39713 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.521e-04 Mass of water (kg) = 9.966e-01 @@ -14482,10 +14482,10 @@ Initial solution 1. pH = 3.075 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 504 + Specific Conductance (µS/cm, 75°C) = 457 Density (g/cm³) = 0.99701 Volume (L) = 1.06222 - Viscosity (mPa s) = 0.38503 + Viscosity (mPa s) = 0.39877 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.852e-04 Mass of water (kg) = 1.000e+00 @@ -14567,10 +14567,10 @@ CO2(g) 2.07 0.05 -2.02 1.000e+01 1.579e+01 5.791e+00 pH = 3.083 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 496 + Specific Conductance (µS/cm, 75°C) = 451 Density (g/cm³) = 0.99614 Volume (L) = 1.05757 - Viscosity (mPa s) = 0.38465 + Viscosity (mPa s) = 0.39798 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.685e-04 Mass of water (kg) = 9.963e-01 @@ -14648,10 +14648,10 @@ Initial solution 1. pH = 3.068 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 512 + Specific Conductance (µS/cm, 75°C) = 463 Density (g/cm³) = 0.99804 Volume (L) = 1.06223 - Viscosity (mPa s) = 0.38556 + Viscosity (mPa s) = 0.39959 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.007e-04 Mass of water (kg) = 1.000e+00 @@ -14733,10 +14733,10 @@ CO2(g) 2.09 0.06 -2.03 1.000e+01 1.550e+01 5.498e+00 pH = 3.075 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 504 + Specific Conductance (µS/cm, 75°C) = 457 Density (g/cm³) = 0.99719 Volume (L) = 1.05737 - Viscosity (mPa s) = 0.38519 + Viscosity (mPa s) = 0.39882 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.844e-04 Mass of water (kg) = 9.961e-01 @@ -14814,10 +14814,10 @@ Initial solution 1. pH = 3.060 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 520 + Specific Conductance (µS/cm, 75°C) = 470 Density (g/cm³) = 0.99905 Volume (L) = 1.06220 - Viscosity (mPa s) = 0.38610 + Viscosity (mPa s) = 0.40040 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.158e-04 Mass of water (kg) = 1.000e+00 @@ -14899,10 +14899,10 @@ CO2(g) 2.11 0.06 -2.04 1.000e+01 1.525e+01 5.250e+00 pH = 3.068 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 512 + Specific Conductance (µS/cm, 75°C) = 464 Density (g/cm³) = 0.99821 Volume (L) = 1.05714 - Viscosity (mPa s) = 0.38573 + Viscosity (mPa s) = 0.39964 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.998e-04 Mass of water (kg) = 9.959e-01 @@ -14980,10 +14980,10 @@ Initial solution 1. pH = 3.054 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 528 + Specific Conductance (µS/cm, 75°C) = 476 Density (g/cm³) = 1.00005 Volume (L) = 1.06213 - Viscosity (mPa s) = 0.38664 + Viscosity (mPa s) = 0.40120 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.308e-04 Mass of water (kg) = 1.000e+00 @@ -15065,10 +15065,10 @@ CO2(g) 2.13 0.07 -2.05 1.000e+01 1.503e+01 5.034e+00 pH = 3.061 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 520 + Specific Conductance (µS/cm, 75°C) = 470 Density (g/cm³) = 0.99923 Volume (L) = 1.05689 - Viscosity (mPa s) = 0.38628 + Viscosity (mPa s) = 0.40045 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.149e-04 Mass of water (kg) = 9.957e-01 @@ -15146,10 +15146,10 @@ Initial solution 1. pH = 3.047 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 535 + Specific Conductance (µS/cm, 75°C) = 482 Density (g/cm³) = 1.00103 Volume (L) = 1.06202 - Viscosity (mPa s) = 0.38717 + Viscosity (mPa s) = 0.40198 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.454e-04 Mass of water (kg) = 1.000e+00 @@ -15231,10 +15231,10 @@ CO2(g) 2.14 0.08 -2.07 1.000e+01 1.484e+01 4.843e+00 pH = 3.054 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 528 + Specific Conductance (µS/cm, 75°C) = 476 Density (g/cm³) = 1.00023 Volume (L) = 1.05661 - Viscosity (mPa s) = 0.38682 + Viscosity (mPa s) = 0.40124 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.298e-04 Mass of water (kg) = 9.956e-01 @@ -15312,10 +15312,10 @@ Initial solution 1. pH = 3.041 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 543 + Specific Conductance (µS/cm, 75°C) = 488 Density (g/cm³) = 1.00201 Volume (L) = 1.06188 - Viscosity (mPa s) = 0.38771 + Viscosity (mPa s) = 0.40276 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.598e-04 Mass of water (kg) = 1.000e+00 @@ -15397,10 +15397,10 @@ CO2(g) 2.16 0.08 -2.08 1.000e+01 1.467e+01 4.675e+00 pH = 3.047 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 535 + Specific Conductance (µS/cm, 75°C) = 482 Density (g/cm³) = 1.00122 Volume (L) = 1.05633 - Viscosity (mPa s) = 0.38736 + Viscosity (mPa s) = 0.40203 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.443e-04 Mass of water (kg) = 9.954e-01 @@ -15478,10 +15478,10 @@ Initial solution 1. pH = 3.034 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 550 + Specific Conductance (µS/cm, 75°C) = 494 Density (g/cm³) = 1.00298 Volume (L) = 1.06173 - Viscosity (mPa s) = 0.38825 + Viscosity (mPa s) = 0.40353 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.742e-04 Mass of water (kg) = 1.000e+00 @@ -15563,10 +15563,10 @@ CO2(g) 2.17 0.09 -2.09 1.000e+01 1.452e+01 4.524e+00 pH = 3.041 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 543 + Specific Conductance (µS/cm, 75°C) = 488 Density (g/cm³) = 1.00220 Volume (L) = 1.05602 - Viscosity (mPa s) = 0.38790 + Viscosity (mPa s) = 0.40280 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.587e-04 Mass of water (kg) = 9.953e-01 @@ -15644,10 +15644,10 @@ Initial solution 1. pH = 3.028 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 558 + Specific Conductance (µS/cm, 75°C) = 500 Density (g/cm³) = 1.00393 Volume (L) = 1.06154 - Viscosity (mPa s) = 0.38878 + Viscosity (mPa s) = 0.40429 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.883e-04 Mass of water (kg) = 1.000e+00 @@ -15729,10 +15729,10 @@ CO2(g) 2.19 0.09 -2.10 1.000e+01 1.439e+01 4.386e+00 pH = 3.035 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 550 + Specific Conductance (µS/cm, 75°C) = 494 Density (g/cm³) = 1.00317 Volume (L) = 1.05571 - Viscosity (mPa s) = 0.38845 + Viscosity (mPa s) = 0.40357 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.730e-04 Mass of water (kg) = 9.952e-01 @@ -15810,10 +15810,10 @@ Initial solution 1. pH = 3.022 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 565 + Specific Conductance (µS/cm, 75°C) = 506 Density (g/cm³) = 1.00488 Volume (L) = 1.06132 - Viscosity (mPa s) = 0.38932 + Viscosity (mPa s) = 0.40505 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.002e-03 Mass of water (kg) = 1.000e+00 @@ -15895,10 +15895,10 @@ CO2(g) 2.21 0.10 -2.11 1.000e+01 1.426e+01 4.262e+00 pH = 3.029 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 558 + Specific Conductance (µS/cm, 75°C) = 500 Density (g/cm³) = 1.00413 Volume (L) = 1.05538 - Viscosity (mPa s) = 0.38899 + Viscosity (mPa s) = 0.40433 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.871e-04 Mass of water (kg) = 9.951e-01 @@ -15976,10 +15976,10 @@ Initial solution 1. pH = 3.017 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 572 + Specific Conductance (µS/cm, 75°C) = 511 Density (g/cm³) = 1.00582 Volume (L) = 1.06110 - Viscosity (mPa s) = 0.38986 + Viscosity (mPa s) = 0.40580 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.016e-03 Mass of water (kg) = 1.000e+00 @@ -16061,10 +16061,10 @@ CO2(g) 2.22 0.10 -2.12 1.000e+01 1.415e+01 4.149e+00 pH = 3.023 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 565 + Specific Conductance (µS/cm, 75°C) = 506 Density (g/cm³) = 1.00508 Volume (L) = 1.05505 - Viscosity (mPa s) = 0.38953 + Viscosity (mPa s) = 0.40509 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.001e-03 Mass of water (kg) = 9.950e-01 @@ -16142,10 +16142,10 @@ Initial solution 1. pH = 3.011 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 580 + Specific Conductance (µS/cm, 75°C) = 517 Density (g/cm³) = 1.00676 Volume (L) = 1.06085 - Viscosity (mPa s) = 0.39040 + Viscosity (mPa s) = 0.40655 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 1.000e+00 @@ -16227,10 +16227,10 @@ CO2(g) 2.24 0.10 -2.13 1.000e+01 1.404e+01 4.044e+00 pH = 3.017 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 572 + Specific Conductance (µS/cm, 75°C) = 512 Density (g/cm³) = 1.00602 Volume (L) = 1.05470 - Viscosity (mPa s) = 0.39007 + Viscosity (mPa s) = 0.40584 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.015e-03 Mass of water (kg) = 9.949e-01 @@ -16308,10 +16308,10 @@ Initial solution 1. pH = 3.005 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 587 + Specific Conductance (µS/cm, 75°C) = 523 Density (g/cm³) = 1.00768 Volume (L) = 1.06059 - Viscosity (mPa s) = 0.39094 + Viscosity (mPa s) = 0.40729 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.044e-03 Mass of water (kg) = 1.000e+00 @@ -16393,10 +16393,10 @@ CO2(g) 2.25 0.11 -2.14 1.000e+01 1.395e+01 3.948e+00 pH = 3.011 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 580 + Specific Conductance (µS/cm, 75°C) = 518 Density (g/cm³) = 1.00695 Volume (L) = 1.05435 - Viscosity (mPa s) = 0.39061 + Viscosity (mPa s) = 0.40658 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.029e-03 Mass of water (kg) = 9.948e-01 @@ -16474,10 +16474,10 @@ Initial solution 1. pH = 3.000 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 594 + Specific Conductance (µS/cm, 75°C) = 529 Density (g/cm³) = 1.00860 Volume (L) = 1.06031 - Viscosity (mPa s) = 0.39148 + Viscosity (mPa s) = 0.40803 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.057e-03 Mass of water (kg) = 1.000e+00 @@ -16559,10 +16559,10 @@ CO2(g) 2.27 0.11 -2.15 1.000e+01 1.386e+01 3.858e+00 pH = 3.006 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 587 + Specific Conductance (µS/cm, 75°C) = 524 Density (g/cm³) = 1.00788 Volume (L) = 1.05399 - Viscosity (mPa s) = 0.39115 + Viscosity (mPa s) = 0.40732 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.042e-03 Mass of water (kg) = 9.947e-01 @@ -16640,10 +16640,10 @@ Initial solution 1. pH = 2.994 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 601 + Specific Conductance (µS/cm, 75°C) = 534 Density (g/cm³) = 1.00951 Volume (L) = 1.06003 - Viscosity (mPa s) = 0.39202 + Viscosity (mPa s) = 0.40876 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.071e-03 Mass of water (kg) = 1.000e+00 @@ -16725,10 +16725,10 @@ CO2(g) 2.28 0.12 -2.16 1.000e+01 1.377e+01 3.775e+00 pH = 3.000 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 594 + Specific Conductance (µS/cm, 75°C) = 529 Density (g/cm³) = 1.00880 Volume (L) = 1.05362 - Viscosity (mPa s) = 0.39170 + Viscosity (mPa s) = 0.40806 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.056e-03 Mass of water (kg) = 9.947e-01 @@ -16806,10 +16806,10 @@ Initial solution 1. pH = 2.989 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 608 + Specific Conductance (µS/cm, 75°C) = 540 Density (g/cm³) = 1.01042 Volume (L) = 1.05971 - Viscosity (mPa s) = 0.39256 + Viscosity (mPa s) = 0.40949 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.084e-03 Mass of water (kg) = 1.000e+00 @@ -16891,10 +16891,10 @@ CO2(g) 2.29 0.12 -2.18 1.000e+01 1.370e+01 3.696e+00 pH = 2.995 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 601 + Specific Conductance (µS/cm, 75°C) = 535 Density (g/cm³) = 1.00971 Volume (L) = 1.05324 - Viscosity (mPa s) = 0.39224 + Viscosity (mPa s) = 0.40879 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.069e-03 Mass of water (kg) = 9.946e-01 @@ -16972,10 +16972,10 @@ Initial solution 1. pH = 2.984 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 615 + Specific Conductance (µS/cm, 75°C) = 546 Density (g/cm³) = 1.01132 Volume (L) = 1.05941 - Viscosity (mPa s) = 0.39310 + Viscosity (mPa s) = 0.41022 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.098e-03 Mass of water (kg) = 1.000e+00 @@ -17057,10 +17057,10 @@ CO2(g) 2.31 0.12 -2.19 1.000e+01 1.362e+01 3.623e+00 pH = 2.990 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 608 + Specific Conductance (µS/cm, 75°C) = 541 Density (g/cm³) = 1.01061 Volume (L) = 1.05286 - Viscosity (mPa s) = 0.39278 + Viscosity (mPa s) = 0.40952 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.083e-03 Mass of water (kg) = 9.945e-01 @@ -17138,10 +17138,10 @@ Initial solution 1. pH = 2.979 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 622 + Specific Conductance (µS/cm, 75°C) = 551 Density (g/cm³) = 1.01221 Volume (L) = 1.05908 - Viscosity (mPa s) = 0.39364 + Viscosity (mPa s) = 0.41094 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.111e-03 Mass of water (kg) = 1.000e+00 @@ -17223,10 +17223,10 @@ CO2(g) 2.32 0.13 -2.20 1.000e+01 1.355e+01 3.553e+00 pH = 2.985 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 615 + Specific Conductance (µS/cm, 75°C) = 546 Density (g/cm³) = 1.01151 Volume (L) = 1.05247 - Viscosity (mPa s) = 0.39333 + Viscosity (mPa s) = 0.41025 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.096e-03 Mass of water (kg) = 9.945e-01 @@ -17304,10 +17304,10 @@ Initial solution 1. pH = 2.974 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 629 + Specific Conductance (µS/cm, 75°C) = 557 Density (g/cm³) = 1.01310 Volume (L) = 1.05876 - Viscosity (mPa s) = 0.39418 + Viscosity (mPa s) = 0.41166 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.125e-03 Mass of water (kg) = 1.000e+00 @@ -17389,10 +17389,10 @@ CO2(g) 2.34 0.13 -2.21 1.000e+01 1.349e+01 3.489e+00 pH = 2.979 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 622 + Specific Conductance (µS/cm, 75°C) = 552 Density (g/cm³) = 1.01240 Volume (L) = 1.05209 - Viscosity (mPa s) = 0.39387 + Viscosity (mPa s) = 0.41096 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.109e-03 Mass of water (kg) = 9.944e-01 @@ -17470,10 +17470,10 @@ Initial solution 1. pH = 2.969 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 636 + Specific Conductance (µS/cm, 75°C) = 562 Density (g/cm³) = 1.01398 Volume (L) = 1.05840 - Viscosity (mPa s) = 0.39472 + Viscosity (mPa s) = 0.41238 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.138e-03 Mass of water (kg) = 1.000e+00 @@ -17555,10 +17555,10 @@ CO2(g) 2.35 0.13 -2.22 1.000e+01 1.343e+01 3.426e+00 pH = 2.974 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 629 + Specific Conductance (µS/cm, 75°C) = 558 Density (g/cm³) = 1.01329 Volume (L) = 1.05169 - Viscosity (mPa s) = 0.39442 + Viscosity (mPa s) = 0.41169 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.123e-03 Mass of water (kg) = 9.944e-01 @@ -17636,10 +17636,10 @@ Initial solution 1. pH = 2.964 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 643 + Specific Conductance (µS/cm, 75°C) = 568 Density (g/cm³) = 1.01485 Volume (L) = 1.05806 - Viscosity (mPa s) = 0.39527 + Viscosity (mPa s) = 0.41310 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.151e-03 Mass of water (kg) = 1.000e+00 @@ -17721,10 +17721,10 @@ CO2(g) 2.36 0.13 -2.23 1.000e+01 1.337e+01 3.369e+00 pH = 2.969 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 636 + Specific Conductance (µS/cm, 75°C) = 563 Density (g/cm³) = 1.01417 Volume (L) = 1.05129 - Viscosity (mPa s) = 0.39496 + Viscosity (mPa s) = 0.41240 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.136e-03 Mass of water (kg) = 9.944e-01 @@ -17802,10 +17802,10 @@ Initial solution 1. pH = 2.959 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 650 + Specific Conductance (µS/cm, 75°C) = 573 Density (g/cm³) = 1.01572 Volume (L) = 1.05769 - Viscosity (mPa s) = 0.39581 + Viscosity (mPa s) = 0.41381 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.164e-03 Mass of water (kg) = 1.000e+00 @@ -17887,10 +17887,10 @@ CO2(g) 2.38 0.14 -2.24 1.000e+01 1.331e+01 3.313e+00 pH = 2.965 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 643 + Specific Conductance (µS/cm, 75°C) = 569 Density (g/cm³) = 1.01504 Volume (L) = 1.05088 - Viscosity (mPa s) = 0.39551 + Viscosity (mPa s) = 0.41312 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.149e-03 Mass of water (kg) = 9.943e-01 @@ -17968,10 +17968,10 @@ Initial solution 1. pH = 2.954 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 657 + Specific Conductance (µS/cm, 75°C) = 579 Density (g/cm³) = 1.01659 Volume (L) = 1.05733 - Viscosity (mPa s) = 0.39636 + Viscosity (mPa s) = 0.41452 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.178e-03 Mass of water (kg) = 1.000e+00 @@ -18053,10 +18053,10 @@ CO2(g) 2.39 0.14 -2.25 1.000e+01 1.326e+01 3.261e+00 pH = 2.960 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 650 + Specific Conductance (µS/cm, 75°C) = 574 Density (g/cm³) = 1.01591 Volume (L) = 1.05048 - Viscosity (mPa s) = 0.39605 + Viscosity (mPa s) = 0.41382 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.162e-03 Mass of water (kg) = 9.943e-01 @@ -18134,10 +18134,10 @@ Initial solution 1. pH = 2.950 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 663 + Specific Conductance (µS/cm, 75°C) = 584 Density (g/cm³) = 1.01745 Volume (L) = 1.05696 - Viscosity (mPa s) = 0.39690 + Viscosity (mPa s) = 0.41523 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.191e-03 Mass of water (kg) = 1.000e+00 @@ -18219,10 +18219,10 @@ CO2(g) 2.40 0.14 -2.26 1.000e+01 1.321e+01 3.210e+00 pH = 2.955 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 656 + Specific Conductance (µS/cm, 75°C) = 580 Density (g/cm³) = 1.01677 Volume (L) = 1.05007 - Viscosity (mPa s) = 0.39660 + Viscosity (mPa s) = 0.41453 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.176e-03 Mass of water (kg) = 9.942e-01 @@ -18300,10 +18300,10 @@ Initial solution 1. pH = 2.945 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 670 + Specific Conductance (µS/cm, 75°C) = 590 Density (g/cm³) = 1.01830 Volume (L) = 1.05658 - Viscosity (mPa s) = 0.39745 + Viscosity (mPa s) = 0.41593 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.204e-03 Mass of water (kg) = 1.000e+00 @@ -18385,10 +18385,10 @@ CO2(g) 2.42 0.14 -2.27 1.000e+01 1.316e+01 3.162e+00 pH = 2.950 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 663 + Specific Conductance (µS/cm, 75°C) = 585 Density (g/cm³) = 1.01763 Volume (L) = 1.04965 - Viscosity (mPa s) = 0.39714 + Viscosity (mPa s) = 0.41524 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.189e-03 Mass of water (kg) = 9.942e-01 @@ -18466,10 +18466,10 @@ Initial solution 1. pH = 2.940 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 677 + Specific Conductance (µS/cm, 75°C) = 595 Density (g/cm³) = 1.01915 Volume (L) = 1.05618 - Viscosity (mPa s) = 0.39799 + Viscosity (mPa s) = 0.41664 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.217e-03 Mass of water (kg) = 1.000e+00 @@ -18551,10 +18551,10 @@ CO2(g) 2.43 0.15 -2.28 1.000e+01 1.312e+01 3.115e+00 pH = 2.946 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 670 + Specific Conductance (µS/cm, 75°C) = 591 Density (g/cm³) = 1.01848 Volume (L) = 1.04923 - Viscosity (mPa s) = 0.39769 + Viscosity (mPa s) = 0.41595 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.202e-03 Mass of water (kg) = 9.942e-01 @@ -18632,10 +18632,10 @@ Initial solution 1. pH = 2.936 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 684 + Specific Conductance (µS/cm, 75°C) = 601 Density (g/cm³) = 1.01999 Volume (L) = 1.05580 - Viscosity (mPa s) = 0.39854 + Viscosity (mPa s) = 0.41734 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.230e-03 Mass of water (kg) = 1.000e+00 @@ -18717,10 +18717,10 @@ CO2(g) 2.44 0.15 -2.29 1.000e+01 1.307e+01 3.073e+00 pH = 2.941 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 677 + Specific Conductance (µS/cm, 75°C) = 596 Density (g/cm³) = 1.01933 Volume (L) = 1.04882 - Viscosity (mPa s) = 0.39824 + Viscosity (mPa s) = 0.41665 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.215e-03 Mass of water (kg) = 9.942e-01 @@ -18798,10 +18798,10 @@ Initial solution 1. pH = 2.931 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 691 + Specific Conductance (µS/cm, 75°C) = 606 Density (g/cm³) = 1.02083 Volume (L) = 1.05541 - Viscosity (mPa s) = 0.39909 + Viscosity (mPa s) = 0.41804 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.243e-03 Mass of water (kg) = 1.000e+00 @@ -18883,10 +18883,10 @@ CO2(g) 2.46 0.15 -2.30 1.000e+01 1.303e+01 3.030e+00 pH = 2.937 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 684 + Specific Conductance (µS/cm, 75°C) = 602 Density (g/cm³) = 1.02017 Volume (L) = 1.04839 - Viscosity (mPa s) = 0.39879 + Viscosity (mPa s) = 0.41735 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.228e-03 Mass of water (kg) = 9.941e-01 @@ -18964,10 +18964,10 @@ Initial solution 1. pH = 2.927 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 698 + Specific Conductance (µS/cm, 75°C) = 612 Density (g/cm³) = 1.02166 Volume (L) = 1.05500 - Viscosity (mPa s) = 0.39964 + Viscosity (mPa s) = 0.41874 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.256e-03 Mass of water (kg) = 1.000e+00 @@ -19049,10 +19049,10 @@ CO2(g) 2.47 0.15 -2.31 1.000e+01 1.299e+01 2.989e+00 pH = 2.932 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 691 + Specific Conductance (µS/cm, 75°C) = 607 Density (g/cm³) = 1.02101 Volume (L) = 1.04797 - Viscosity (mPa s) = 0.39934 + Viscosity (mPa s) = 0.41805 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.241e-03 Mass of water (kg) = 9.941e-01 @@ -19130,10 +19130,10 @@ Initial solution 1. pH = 2.923 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 704 + Specific Conductance (µS/cm, 75°C) = 617 Density (g/cm³) = 1.02249 Volume (L) = 1.05459 - Viscosity (mPa s) = 0.40018 + Viscosity (mPa s) = 0.41944 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.269e-03 Mass of water (kg) = 1.000e+00 @@ -19215,10 +19215,10 @@ CO2(g) 2.48 0.16 -2.32 1.000e+01 1.295e+01 2.950e+00 pH = 2.928 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 697 + Specific Conductance (µS/cm, 75°C) = 613 Density (g/cm³) = 1.02184 Volume (L) = 1.04754 - Viscosity (mPa s) = 0.39989 + Viscosity (mPa s) = 0.41875 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.254e-03 Mass of water (kg) = 9.941e-01 @@ -19296,10 +19296,10 @@ Initial solution 1. pH = 2.918 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 711 + Specific Conductance (µS/cm, 75°C) = 623 Density (g/cm³) = 1.02332 Volume (L) = 1.05420 - Viscosity (mPa s) = 0.40073 + Viscosity (mPa s) = 0.42014 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.283e-03 Mass of water (kg) = 1.000e+00 @@ -19381,10 +19381,10 @@ CO2(g) 2.49 0.16 -2.34 1.000e+01 1.291e+01 2.914e+00 pH = 2.923 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 704 + Specific Conductance (µS/cm, 75°C) = 618 Density (g/cm³) = 1.02266 Volume (L) = 1.04711 - Viscosity (mPa s) = 0.40043 + Viscosity (mPa s) = 0.41944 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.267e-03 Mass of water (kg) = 9.941e-01 @@ -19462,10 +19462,10 @@ Initial solution 1. pH = 2.914 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 718 + Specific Conductance (µS/cm, 75°C) = 628 Density (g/cm³) = 1.02414 Volume (L) = 1.05377 - Viscosity (mPa s) = 0.40128 + Viscosity (mPa s) = 0.42083 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.296e-03 Mass of water (kg) = 1.000e+00 @@ -19547,10 +19547,10 @@ CO2(g) 2.51 0.16 -2.35 1.000e+01 1.288e+01 2.876e+00 pH = 2.919 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 711 + Specific Conductance (µS/cm, 75°C) = 624 Density (g/cm³) = 1.02349 Volume (L) = 1.04668 - Viscosity (mPa s) = 0.40099 + Viscosity (mPa s) = 0.42014 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.280e-03 Mass of water (kg) = 9.940e-01 @@ -19628,10 +19628,10 @@ Initial solution 1. pH = 2.910 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 725 + Specific Conductance (µS/cm, 75°C) = 634 Density (g/cm³) = 1.02495 Volume (L) = 1.05336 - Viscosity (mPa s) = 0.40183 + Viscosity (mPa s) = 0.42153 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.309e-03 Mass of water (kg) = 1.000e+00 @@ -19713,10 +19713,10 @@ CO2(g) 2.52 0.16 -2.36 1.000e+01 1.284e+01 2.842e+00 pH = 2.915 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 718 + Specific Conductance (µS/cm, 75°C) = 629 Density (g/cm³) = 1.02430 Volume (L) = 1.04625 - Viscosity (mPa s) = 0.40154 + Viscosity (mPa s) = 0.42083 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.293e-03 Mass of water (kg) = 9.940e-01 @@ -19794,10 +19794,10 @@ Initial solution 1. pH = 2.906 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 731 + Specific Conductance (µS/cm, 75°C) = 639 Density (g/cm³) = 1.02576 Volume (L) = 1.05294 - Viscosity (mPa s) = 0.40239 + Viscosity (mPa s) = 0.42222 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.322e-03 Mass of water (kg) = 1.000e+00 @@ -19879,10 +19879,10 @@ CO2(g) 2.53 0.16 -2.37 1.000e+01 1.281e+01 2.807e+00 pH = 2.910 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 725 + Specific Conductance (µS/cm, 75°C) = 635 Density (g/cm³) = 1.02512 Volume (L) = 1.04582 - Viscosity (mPa s) = 0.40209 + Viscosity (mPa s) = 0.42153 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.306e-03 Mass of water (kg) = 9.940e-01 @@ -19960,10 +19960,10 @@ Initial solution 1. pH = 2.901 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 738 + Specific Conductance (µS/cm, 75°C) = 644 Density (g/cm³) = 1.02656 Volume (L) = 1.05250 - Viscosity (mPa s) = 0.40294 + Viscosity (mPa s) = 0.42291 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.335e-03 Mass of water (kg) = 1.000e+00 @@ -20045,10 +20045,10 @@ CO2(g) 2.54 0.17 -2.38 1.000e+01 1.277e+01 2.775e+00 pH = 2.906 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 731 + Specific Conductance (µS/cm, 75°C) = 640 Density (g/cm³) = 1.02592 Volume (L) = 1.04538 - Viscosity (mPa s) = 0.40264 + Viscosity (mPa s) = 0.42222 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.319e-03 Mass of water (kg) = 9.940e-01 @@ -20126,10 +20126,10 @@ Initial solution 1. pH = 2.897 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 745 + Specific Conductance (µS/cm, 75°C) = 650 Density (g/cm³) = 1.02737 Volume (L) = 1.05210 - Viscosity (mPa s) = 0.40349 + Viscosity (mPa s) = 0.42360 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.348e-03 Mass of water (kg) = 1.000e+00 @@ -20211,10 +20211,10 @@ CO2(g) 2.56 0.17 -2.39 1.000e+01 1.274e+01 2.744e+00 pH = 2.902 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 738 + Specific Conductance (µS/cm, 75°C) = 646 Density (g/cm³) = 1.02672 Volume (L) = 1.04495 - Viscosity (mPa s) = 0.40319 + Viscosity (mPa s) = 0.42290 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.332e-03 Mass of water (kg) = 9.940e-01 @@ -20292,10 +20292,10 @@ Initial solution 1. pH = 2.893 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 752 + Specific Conductance (µS/cm, 75°C) = 655 Density (g/cm³) = 1.02816 Volume (L) = 1.05165 - Viscosity (mPa s) = 0.40404 + Viscosity (mPa s) = 0.42429 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.361e-03 Mass of water (kg) = 1.000e+00 @@ -20377,10 +20377,10 @@ CO2(g) 2.57 0.17 -2.40 1.000e+01 1.271e+01 2.712e+00 pH = 2.898 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 745 + Specific Conductance (µS/cm, 75°C) = 651 Density (g/cm³) = 1.02753 Volume (L) = 1.04451 - Viscosity (mPa s) = 0.40375 + Viscosity (mPa s) = 0.42360 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.345e-03 Mass of water (kg) = 9.940e-01 @@ -20555,7 +20555,7 @@ Initial solution 1. Specific Conductance (µS/cm, 100°C) = 48 Density (g/cm³) = 0.95843 Volume (L) = 1.04391 - Viscosity (mPa s) = 0.28160 + Viscosity (mPa s) = 0.28167 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.717e-05 Mass of water (kg) = 1.000e+00 @@ -20633,10 +20633,10 @@ Initial solution 1. pH = 3.550 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 203 + Specific Conductance (µS/cm, 100°C) = 200 Density (g/cm³) = 0.96068 Volume (L) = 1.05056 - Viscosity (mPa s) = 0.28218 + Viscosity (mPa s) = 0.28335 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.887e-04 Mass of water (kg) = 1.000e+00 @@ -20721,7 +20721,7 @@ CO2(g) 0.04 -1.94 -1.98 1.000e+01 1.021e+01 2.080e-01 Specific Conductance (µS/cm, 100°C) = 48 Density (g/cm³) = 0.95848 Volume (L) = 1.04402 - Viscosity (mPa s) = 0.28163 + Viscosity (mPa s) = 0.28170 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.717e-05 Mass of water (kg) = 1.000e+00 @@ -20799,10 +20799,10 @@ Initial solution 1. pH = 3.420 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 272 + Specific Conductance (µS/cm, 100°C) = 266 Density (g/cm³) = 0.96277 Volume (L) = 1.05637 - Viscosity (mPa s) = 0.28274 + Viscosity (mPa s) = 0.28490 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.924e-04 Mass of water (kg) = 1.000e+00 @@ -20884,10 +20884,10 @@ CO2(g) 1.30 -0.69 -1.99 1.000e+01 1.044e+01 4.385e-01 pH = 3.550 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 203 + Specific Conductance (µS/cm, 100°C) = 200 Density (g/cm³) = 0.96073 Volume (L) = 1.05064 - Viscosity (mPa s) = 0.28221 + Viscosity (mPa s) = 0.28338 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.887e-04 Mass of water (kg) = 1.000e+00 @@ -20965,10 +20965,10 @@ Initial solution 1. pH = 3.347 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 318 + Specific Conductance (µS/cm, 100°C) = 309 Density (g/cm³) = 0.96471 Volume (L) = 1.06135 - Viscosity (mPa s) = 0.28330 + Viscosity (mPa s) = 0.28633 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.652e-04 Mass of water (kg) = 1.000e+00 @@ -21050,10 +21050,10 @@ CO2(g) 1.57 -0.44 -2.00 1.000e+01 1.097e+01 9.731e-01 pH = 3.420 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 272 + Specific Conductance (µS/cm, 100°C) = 266 Density (g/cm³) = 0.96283 Volume (L) = 1.05645 - Viscosity (mPa s) = 0.28278 + Viscosity (mPa s) = 0.28493 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.923e-04 Mass of water (kg) = 1.000e+00 @@ -21131,10 +21131,10 @@ Initial solution 1. pH = 3.299 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 353 + Specific Conductance (µS/cm, 100°C) = 340 Density (g/cm³) = 0.96652 Volume (L) = 1.06554 - Viscosity (mPa s) = 0.28385 + Viscosity (mPa s) = 0.28765 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.211e-04 Mass of water (kg) = 1.000e+00 @@ -21216,10 +21216,10 @@ CO2(g) 1.71 -0.30 -2.01 1.000e+01 1.306e+01 3.061e+00 pH = 3.347 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 318 + Specific Conductance (µS/cm, 100°C) = 309 Density (g/cm³) = 0.96479 Volume (L) = 1.06178 - Viscosity (mPa s) = 0.28334 + Viscosity (mPa s) = 0.28637 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.652e-04 Mass of water (kg) = 1.001e+00 @@ -21297,10 +21297,10 @@ Initial solution 1. pH = 3.265 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 380 + Specific Conductance (µS/cm, 100°C) = 364 Density (g/cm³) = 0.96820 Volume (L) = 1.06900 - Viscosity (mPa s) = 0.28440 + Viscosity (mPa s) = 0.28886 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.657e-04 Mass of water (kg) = 1.000e+00 @@ -21382,10 +21382,10 @@ CO2(g) 1.81 -0.21 -2.02 1.000e+01 2.366e+01 1.366e+01 pH = 3.299 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 353 + Specific Conductance (µS/cm, 100°C) = 340 Density (g/cm³) = 0.96661 Volume (L) = 1.06802 - Viscosity (mPa s) = 0.28391 + Viscosity (mPa s) = 0.28770 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.210e-04 Mass of water (kg) = 1.002e+00 @@ -21463,10 +21463,10 @@ Initial solution 1. pH = 3.238 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 401 + Specific Conductance (µS/cm, 100°C) = 382 Density (g/cm³) = 0.96976 Volume (L) = 1.07177 - Viscosity (mPa s) = 0.28495 + Viscosity (mPa s) = 0.28998 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.021e-04 Mass of water (kg) = 1.000e+00 @@ -21548,10 +21548,10 @@ CO2(g) 1.89 -0.15 -2.04 1.000e+01 2.358e+01 1.358e+01 pH = 3.265 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 380 + Specific Conductance (µS/cm, 100°C) = 364 Density (g/cm³) = 0.96831 Volume (L) = 1.07050 - Viscosity (mPa s) = 0.28447 + Viscosity (mPa s) = 0.28892 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.655e-04 Mass of water (kg) = 1.002e+00 @@ -21629,10 +21629,10 @@ Initial solution 1. pH = 3.218 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 419 + Specific Conductance (µS/cm, 100°C) = 397 Density (g/cm³) = 0.97122 Volume (L) = 1.07396 - Viscosity (mPa s) = 0.28550 + Viscosity (mPa s) = 0.29101 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.327e-04 Mass of water (kg) = 1.000e+00 @@ -21714,10 +21714,10 @@ CO2(g) 1.94 -0.10 -2.05 1.000e+01 2.311e+01 1.311e+01 pH = 3.239 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 401 + Specific Conductance (µS/cm, 100°C) = 382 Density (g/cm³) = 0.96989 Volume (L) = 1.07234 - Viscosity (mPa s) = 0.28504 + Viscosity (mPa s) = 0.29005 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.019e-04 Mass of water (kg) = 1.001e+00 @@ -21795,10 +21795,10 @@ Initial solution 1. pH = 3.201 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 434 + Specific Conductance (µS/cm, 100°C) = 410 Density (g/cm³) = 0.97260 Volume (L) = 1.07568 - Viscosity (mPa s) = 0.28604 + Viscosity (mPa s) = 0.29198 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.590e-04 Mass of water (kg) = 1.000e+00 @@ -21880,10 +21880,10 @@ CO2(g) 1.99 -0.07 -2.06 1.000e+01 2.240e+01 1.240e+01 pH = 3.218 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 419 + Specific Conductance (µS/cm, 100°C) = 398 Density (g/cm³) = 0.97138 Volume (L) = 1.07360 - Viscosity (mPa s) = 0.28560 + Viscosity (mPa s) = 0.29109 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.324e-04 Mass of water (kg) = 1.000e+00 @@ -21961,10 +21961,10 @@ Initial solution 1. pH = 3.186 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 447 + Specific Conductance (µS/cm, 100°C) = 421 Density (g/cm³) = 0.97391 Volume (L) = 1.07701 - Viscosity (mPa s) = 0.28658 + Viscosity (mPa s) = 0.29289 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.820e-04 Mass of water (kg) = 1.000e+00 @@ -22046,10 +22046,10 @@ CO2(g) 2.03 -0.04 -2.07 1.000e+01 2.159e+01 1.159e+01 pH = 3.201 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 434 + Specific Conductance (µS/cm, 100°C) = 410 Density (g/cm³) = 0.97278 Volume (L) = 1.07437 - Viscosity (mPa s) = 0.28617 + Viscosity (mPa s) = 0.29207 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.586e-04 Mass of water (kg) = 9.993e-01 @@ -22127,10 +22127,10 @@ Initial solution 1. pH = 3.174 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 459 + Specific Conductance (µS/cm, 100°C) = 431 Density (g/cm³) = 0.97517 Volume (L) = 1.07804 - Viscosity (mPa s) = 0.28712 + Viscosity (mPa s) = 0.29375 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.027e-04 Mass of water (kg) = 1.000e+00 @@ -22212,10 +22212,10 @@ CO2(g) 2.06 -0.02 -2.08 1.000e+01 2.079e+01 1.079e+01 pH = 3.186 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 447 + Specific Conductance (µS/cm, 100°C) = 421 Density (g/cm³) = 0.97412 Volume (L) = 1.07478 - Viscosity (mPa s) = 0.28674 + Viscosity (mPa s) = 0.29300 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.816e-04 Mass of water (kg) = 9.985e-01 @@ -22293,10 +22293,10 @@ Initial solution 1. pH = 3.162 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 470 + Specific Conductance (µS/cm, 100°C) = 440 Density (g/cm³) = 0.97639 Volume (L) = 1.07886 - Viscosity (mPa s) = 0.28766 + Viscosity (mPa s) = 0.29459 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.218e-04 Mass of water (kg) = 1.000e+00 @@ -22378,10 +22378,10 @@ CO2(g) 2.09 -0.01 -2.09 1.000e+01 2.007e+01 1.007e+01 pH = 3.174 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 459 + Specific Conductance (µS/cm, 100°C) = 431 Density (g/cm³) = 0.97541 Volume (L) = 1.07495 - Viscosity (mPa s) = 0.28730 + Viscosity (mPa s) = 0.29387 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.022e-04 Mass of water (kg) = 9.978e-01 @@ -22459,10 +22459,10 @@ Initial solution 1. pH = 3.152 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 480 + Specific Conductance (µS/cm, 100°C) = 448 Density (g/cm³) = 0.97757 Volume (L) = 1.07950 - Viscosity (mPa s) = 0.28820 + Viscosity (mPa s) = 0.29539 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.396e-04 Mass of water (kg) = 1.000e+00 @@ -22544,10 +22544,10 @@ CO2(g) 2.11 0.01 -2.10 1.000e+01 1.944e+01 9.441e+00 pH = 3.163 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 470 + Specific Conductance (µS/cm, 100°C) = 440 Density (g/cm³) = 0.97665 Volume (L) = 1.07498 - Viscosity (mPa s) = 0.28786 + Viscosity (mPa s) = 0.29472 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.212e-04 Mass of water (kg) = 9.972e-01 @@ -22625,10 +22625,10 @@ Initial solution 1. pH = 3.143 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 490 + Specific Conductance (µS/cm, 100°C) = 456 Density (g/cm³) = 0.97873 Volume (L) = 1.08000 - Viscosity (mPa s) = 0.28874 + Viscosity (mPa s) = 0.29618 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.565e-04 Mass of water (kg) = 1.000e+00 @@ -22710,10 +22710,10 @@ CO2(g) 2.13 0.02 -2.11 1.000e+01 1.890e+01 8.903e+00 pH = 3.152 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 480 + Specific Conductance (µS/cm, 100°C) = 449 Density (g/cm³) = 0.97785 Volume (L) = 1.07490 - Viscosity (mPa s) = 0.28842 + Viscosity (mPa s) = 0.29553 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.389e-04 Mass of water (kg) = 9.966e-01 @@ -22791,10 +22791,10 @@ Initial solution 1. pH = 3.134 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 499 + Specific Conductance (µS/cm, 100°C) = 464 Density (g/cm³) = 0.97986 Volume (L) = 1.08040 - Viscosity (mPa s) = 0.28927 + Viscosity (mPa s) = 0.29695 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.726e-04 Mass of water (kg) = 1.000e+00 @@ -22876,10 +22876,10 @@ CO2(g) 2.16 0.03 -2.12 1.000e+01 1.844e+01 8.441e+00 pH = 3.143 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 490 + Specific Conductance (µS/cm, 100°C) = 457 Density (g/cm³) = 0.97902 Volume (L) = 1.07476 - Viscosity (mPa s) = 0.28897 + Viscosity (mPa s) = 0.29633 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.557e-04 Mass of water (kg) = 9.961e-01 @@ -22957,10 +22957,10 @@ Initial solution 1. pH = 3.125 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 507 + Specific Conductance (µS/cm, 100°C) = 471 Density (g/cm³) = 0.98098 Volume (L) = 1.08070 - Viscosity (mPa s) = 0.28981 + Viscosity (mPa s) = 0.29770 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.881e-04 Mass of water (kg) = 1.000e+00 @@ -23042,10 +23042,10 @@ CO2(g) 2.18 0.04 -2.14 1.000e+01 1.804e+01 8.042e+00 pH = 3.134 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 499 + Specific Conductance (µS/cm, 100°C) = 464 Density (g/cm³) = 0.98017 Volume (L) = 1.07457 - Viscosity (mPa s) = 0.28952 + Viscosity (mPa s) = 0.29710 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.717e-04 Mass of water (kg) = 9.957e-01 @@ -23123,10 +23123,10 @@ Initial solution 1. pH = 3.117 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 516 + Specific Conductance (µS/cm, 100°C) = 478 Density (g/cm³) = 0.98207 Volume (L) = 1.08093 - Viscosity (mPa s) = 0.29034 + Viscosity (mPa s) = 0.29845 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.031e-04 Mass of water (kg) = 1.000e+00 @@ -23208,10 +23208,10 @@ CO2(g) 2.20 0.05 -2.15 1.000e+01 1.770e+01 7.697e+00 pH = 3.126 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 507 + Specific Conductance (µS/cm, 100°C) = 472 Density (g/cm³) = 0.98129 Volume (L) = 1.07435 - Viscosity (mPa s) = 0.29007 + Viscosity (mPa s) = 0.29786 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.871e-04 Mass of water (kg) = 9.953e-01 @@ -23289,10 +23289,10 @@ Initial solution 1. pH = 3.110 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 524 + Specific Conductance (µS/cm, 100°C) = 485 Density (g/cm³) = 0.98316 Volume (L) = 1.08110 - Viscosity (mPa s) = 0.29087 + Viscosity (mPa s) = 0.29918 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.178e-04 Mass of water (kg) = 1.000e+00 @@ -23374,10 +23374,10 @@ CO2(g) 2.21 0.06 -2.16 1.000e+01 1.739e+01 7.394e+00 pH = 3.118 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 516 + Specific Conductance (µS/cm, 100°C) = 479 Density (g/cm³) = 0.98240 Volume (L) = 1.07411 - Viscosity (mPa s) = 0.29061 + Viscosity (mPa s) = 0.29861 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.020e-04 Mass of water (kg) = 9.949e-01 @@ -23455,10 +23455,10 @@ Initial solution 1. pH = 3.103 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 532 + Specific Conductance (µS/cm, 100°C) = 491 Density (g/cm³) = 0.98422 Volume (L) = 1.08121 - Viscosity (mPa s) = 0.29141 + Viscosity (mPa s) = 0.29990 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.320e-04 Mass of water (kg) = 1.000e+00 @@ -23540,10 +23540,10 @@ CO2(g) 2.23 0.06 -2.17 1.000e+01 1.712e+01 7.123e+00 pH = 3.110 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 524 + Specific Conductance (µS/cm, 100°C) = 485 Density (g/cm³) = 0.98349 Volume (L) = 1.07384 - Viscosity (mPa s) = 0.29116 + Viscosity (mPa s) = 0.29935 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.166e-04 Mass of water (kg) = 9.946e-01 @@ -23621,10 +23621,10 @@ Initial solution 1. pH = 3.096 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 540 + Specific Conductance (µS/cm, 100°C) = 498 Density (g/cm³) = 0.98528 Volume (L) = 1.08128 - Viscosity (mPa s) = 0.29194 + Viscosity (mPa s) = 0.30062 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.461e-04 Mass of water (kg) = 1.000e+00 @@ -23706,10 +23706,10 @@ CO2(g) 2.25 0.07 -2.18 1.000e+01 1.688e+01 6.883e+00 pH = 3.103 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532 + Specific Conductance (µS/cm, 100°C) = 492 Density (g/cm³) = 0.98456 Volume (L) = 1.07357 - Viscosity (mPa s) = 0.29170 + Viscosity (mPa s) = 0.30007 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.308e-04 Mass of water (kg) = 9.943e-01 @@ -23787,10 +23787,10 @@ Initial solution 1. pH = 3.089 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 548 + Specific Conductance (µS/cm, 100°C) = 504 Density (g/cm³) = 0.98632 Volume (L) = 1.08132 - Viscosity (mPa s) = 0.29247 + Viscosity (mPa s) = 0.30133 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.599e-04 Mass of water (kg) = 1.000e+00 @@ -23872,10 +23872,10 @@ CO2(g) 2.27 0.08 -2.19 1.000e+01 1.667e+01 6.667e+00 pH = 3.096 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 540 + Specific Conductance (µS/cm, 100°C) = 499 Density (g/cm³) = 0.98562 Volume (L) = 1.07327 - Viscosity (mPa s) = 0.29224 + Viscosity (mPa s) = 0.30079 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.447e-04 Mass of water (kg) = 9.940e-01 @@ -23953,10 +23953,10 @@ Initial solution 1. pH = 3.082 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 555 + Specific Conductance (µS/cm, 100°C) = 510 Density (g/cm³) = 0.98735 Volume (L) = 1.08131 - Viscosity (mPa s) = 0.29300 + Viscosity (mPa s) = 0.30204 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.734e-04 Mass of water (kg) = 1.000e+00 @@ -24038,10 +24038,10 @@ CO2(g) 2.28 0.08 -2.20 1.000e+01 1.647e+01 6.470e+00 pH = 3.089 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 548 + Specific Conductance (µS/cm, 100°C) = 505 Density (g/cm³) = 0.98667 Volume (L) = 1.07297 - Viscosity (mPa s) = 0.29278 + Viscosity (mPa s) = 0.30150 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.585e-04 Mass of water (kg) = 9.937e-01 @@ -24119,10 +24119,10 @@ Initial solution 1. pH = 3.076 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 563 + Specific Conductance (µS/cm, 100°C) = 517 Density (g/cm³) = 0.98837 Volume (L) = 1.08127 - Viscosity (mPa s) = 0.29352 + Viscosity (mPa s) = 0.30273 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.867e-04 Mass of water (kg) = 1.000e+00 @@ -24204,10 +24204,10 @@ CO2(g) 2.30 0.09 -2.21 1.000e+01 1.629e+01 6.292e+00 pH = 3.083 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 555 + Specific Conductance (µS/cm, 100°C) = 511 Density (g/cm³) = 0.98771 Volume (L) = 1.07266 - Viscosity (mPa s) = 0.29332 + Viscosity (mPa s) = 0.30221 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.719e-04 Mass of water (kg) = 9.935e-01 @@ -24285,10 +24285,10 @@ Initial solution 1. pH = 3.070 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 570 + Specific Conductance (µS/cm, 100°C) = 523 Density (g/cm³) = 0.98939 Volume (L) = 1.08121 - Viscosity (mPa s) = 0.29405 + Viscosity (mPa s) = 0.30343 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.000e-04 Mass of water (kg) = 1.000e+00 @@ -24370,10 +24370,10 @@ CO2(g) 2.32 0.09 -2.22 1.000e+01 1.613e+01 6.129e+00 pH = 3.076 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 563 + Specific Conductance (µS/cm, 100°C) = 518 Density (g/cm³) = 0.98873 Volume (L) = 1.07235 - Viscosity (mPa s) = 0.29385 + Viscosity (mPa s) = 0.30290 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.852e-04 Mass of water (kg) = 9.933e-01 @@ -24451,10 +24451,10 @@ Initial solution 1. pH = 3.064 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 577 + Specific Conductance (µS/cm, 100°C) = 529 Density (g/cm³) = 0.99039 Volume (L) = 1.08111 - Viscosity (mPa s) = 0.29458 + Viscosity (mPa s) = 0.30411 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.130e-04 Mass of water (kg) = 1.000e+00 @@ -24536,10 +24536,10 @@ CO2(g) 2.33 0.10 -2.23 1.000e+01 1.598e+01 5.977e+00 pH = 3.070 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 570 + Specific Conductance (µS/cm, 100°C) = 524 Density (g/cm³) = 0.98975 Volume (L) = 1.07202 - Viscosity (mPa s) = 0.29439 + Viscosity (mPa s) = 0.30360 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.983e-04 Mass of water (kg) = 9.931e-01 @@ -24617,10 +24617,10 @@ Initial solution 1. pH = 3.058 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 585 + Specific Conductance (µS/cm, 100°C) = 535 Density (g/cm³) = 0.99139 Volume (L) = 1.08100 - Viscosity (mPa s) = 0.29511 + Viscosity (mPa s) = 0.30480 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.259e-04 Mass of water (kg) = 1.000e+00 @@ -24702,10 +24702,10 @@ CO2(g) 2.35 0.10 -2.24 1.000e+01 1.584e+01 5.839e+00 pH = 3.064 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 578 + Specific Conductance (µS/cm, 100°C) = 530 Density (g/cm³) = 0.99075 Volume (L) = 1.07169 - Viscosity (mPa s) = 0.29492 + Viscosity (mPa s) = 0.30429 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.112e-04 Mass of water (kg) = 9.929e-01 @@ -24783,10 +24783,10 @@ Initial solution 1. pH = 3.052 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 592 + Specific Conductance (µS/cm, 100°C) = 540 Density (g/cm³) = 0.99237 Volume (L) = 1.08086 - Viscosity (mPa s) = 0.29563 + Viscosity (mPa s) = 0.30548 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.387e-04 Mass of water (kg) = 1.000e+00 @@ -24868,10 +24868,10 @@ CO2(g) 2.36 0.11 -2.25 1.000e+01 1.571e+01 5.709e+00 pH = 3.058 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 585 + Specific Conductance (µS/cm, 100°C) = 536 Density (g/cm³) = 0.99175 Volume (L) = 1.07135 - Viscosity (mPa s) = 0.29545 + Viscosity (mPa s) = 0.30497 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.241e-04 Mass of water (kg) = 9.927e-01 @@ -24949,10 +24949,10 @@ Initial solution 1. pH = 3.046 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 599 + Specific Conductance (µS/cm, 100°C) = 546 Density (g/cm³) = 0.99335 Volume (L) = 1.08071 - Viscosity (mPa s) = 0.29616 + Viscosity (mPa s) = 0.30616 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.515e-04 Mass of water (kg) = 1.000e+00 @@ -25034,10 +25034,10 @@ CO2(g) 2.38 0.11 -2.26 1.000e+01 1.559e+01 5.588e+00 pH = 3.053 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 592 + Specific Conductance (µS/cm, 100°C) = 542 Density (g/cm³) = 0.99273 Volume (L) = 1.07101 - Viscosity (mPa s) = 0.29598 + Viscosity (mPa s) = 0.30565 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.368e-04 Mass of water (kg) = 9.926e-01 @@ -25115,10 +25115,10 @@ Initial solution 1. pH = 3.041 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 606 + Specific Conductance (µS/cm, 100°C) = 552 Density (g/cm³) = 0.99432 Volume (L) = 1.08053 - Viscosity (mPa s) = 0.29669 + Viscosity (mPa s) = 0.30683 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.640e-04 Mass of water (kg) = 1.000e+00 @@ -25200,10 +25200,10 @@ CO2(g) 2.39 0.12 -2.27 1.000e+01 1.547e+01 5.474e+00 pH = 3.047 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 599 + Specific Conductance (µS/cm, 100°C) = 547 Density (g/cm³) = 0.99371 Volume (L) = 1.07067 - Viscosity (mPa s) = 0.29651 + Viscosity (mPa s) = 0.30633 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.495e-04 Mass of water (kg) = 9.924e-01 @@ -25281,10 +25281,10 @@ Initial solution 1. pH = 3.035 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 613 + Specific Conductance (µS/cm, 100°C) = 558 Density (g/cm³) = 0.99529 Volume (L) = 1.08036 - Viscosity (mPa s) = 0.29721 + Viscosity (mPa s) = 0.30750 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.766e-04 Mass of water (kg) = 1.000e+00 @@ -25366,10 +25366,10 @@ CO2(g) 2.41 0.12 -2.28 1.000e+01 1.537e+01 5.370e+00 pH = 3.041 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 606 + Specific Conductance (µS/cm, 100°C) = 553 Density (g/cm³) = 0.99468 Volume (L) = 1.07032 - Viscosity (mPa s) = 0.29704 + Viscosity (mPa s) = 0.30700 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.620e-04 Mass of water (kg) = 9.923e-01 @@ -25447,10 +25447,10 @@ Initial solution 1. pH = 3.030 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 620 + Specific Conductance (µS/cm, 100°C) = 563 Density (g/cm³) = 0.99625 Volume (L) = 1.08014 - Viscosity (mPa s) = 0.29774 + Viscosity (mPa s) = 0.30817 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.890e-04 Mass of water (kg) = 1.000e+00 @@ -25532,10 +25532,10 @@ CO2(g) 2.42 0.12 -2.29 1.000e+01 1.527e+01 5.268e+00 pH = 3.036 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 613 + Specific Conductance (µS/cm, 100°C) = 559 Density (g/cm³) = 0.99565 Volume (L) = 1.06996 - Viscosity (mPa s) = 0.29758 + Viscosity (mPa s) = 0.30767 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.745e-04 Mass of water (kg) = 9.922e-01 @@ -25613,10 +25613,10 @@ Initial solution 1. pH = 3.025 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 627 + Specific Conductance (µS/cm, 100°C) = 569 Density (g/cm³) = 0.99720 Volume (L) = 1.07994 - Viscosity (mPa s) = 0.29826 + Viscosity (mPa s) = 0.30884 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.001e-03 Mass of water (kg) = 1.000e+00 @@ -25698,10 +25698,10 @@ CO2(g) 2.43 0.13 -2.30 1.000e+01 1.518e+01 5.176e+00 pH = 3.031 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 620 + Specific Conductance (µS/cm, 100°C) = 565 Density (g/cm³) = 0.99660 Volume (L) = 1.06961 - Viscosity (mPa s) = 0.29810 + Viscosity (mPa s) = 0.30833 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.868e-04 Mass of water (kg) = 9.921e-01 @@ -25779,10 +25779,10 @@ Initial solution 1. pH = 3.020 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 633 + Specific Conductance (µS/cm, 100°C) = 575 Density (g/cm³) = 0.99814 Volume (L) = 1.07969 - Viscosity (mPa s) = 0.29879 + Viscosity (mPa s) = 0.30950 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.014e-03 Mass of water (kg) = 1.000e+00 @@ -25864,10 +25864,10 @@ CO2(g) 2.45 0.13 -2.32 1.000e+01 1.509e+01 5.085e+00 pH = 3.025 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 627 + Specific Conductance (µS/cm, 100°C) = 570 Density (g/cm³) = 0.99755 Volume (L) = 1.06925 - Viscosity (mPa s) = 0.29863 + Viscosity (mPa s) = 0.30900 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.991e-04 Mass of water (kg) = 9.920e-01 @@ -25945,10 +25945,10 @@ Initial solution 1. pH = 3.014 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 640 + Specific Conductance (µS/cm, 100°C) = 580 Density (g/cm³) = 0.99908 Volume (L) = 1.07947 - Viscosity (mPa s) = 0.29931 + Viscosity (mPa s) = 0.31016 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.026e-03 Mass of water (kg) = 1.000e+00 @@ -26030,10 +26030,10 @@ CO2(g) 2.46 0.14 -2.33 1.000e+01 1.500e+01 5.002e+00 pH = 3.020 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 634 + Specific Conductance (µS/cm, 100°C) = 576 Density (g/cm³) = 0.99849 Volume (L) = 1.06889 - Viscosity (mPa s) = 0.29916 + Viscosity (mPa s) = 0.30966 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.011e-03 Mass of water (kg) = 9.919e-01 @@ -26111,10 +26111,10 @@ Initial solution 1. pH = 3.010 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 647 + Specific Conductance (µS/cm, 100°C) = 586 Density (g/cm³) = 1.00002 Volume (L) = 1.07920 - Viscosity (mPa s) = 0.29983 + Viscosity (mPa s) = 0.31082 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.038e-03 Mass of water (kg) = 1.000e+00 @@ -26196,10 +26196,10 @@ CO2(g) 2.47 0.14 -2.34 1.000e+01 1.492e+01 4.921e+00 pH = 3.015 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 640 + Specific Conductance (µS/cm, 100°C) = 581 Density (g/cm³) = 0.99943 Volume (L) = 1.06852 - Viscosity (mPa s) = 0.29969 + Viscosity (mPa s) = 0.31032 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.024e-03 Mass of water (kg) = 9.918e-01 @@ -26277,10 +26277,10 @@ Initial solution 1. pH = 3.005 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 654 + Specific Conductance (µS/cm, 100°C) = 591 Density (g/cm³) = 1.00094 Volume (L) = 1.07895 - Viscosity (mPa s) = 0.30036 + Viscosity (mPa s) = 0.31147 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.050e-03 Mass of water (kg) = 1.000e+00 @@ -26362,10 +26362,10 @@ CO2(g) 2.49 0.14 -2.35 1.000e+01 1.485e+01 4.845e+00 pH = 3.010 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 647 + Specific Conductance (µS/cm, 100°C) = 587 Density (g/cm³) = 1.00036 Volume (L) = 1.06816 - Viscosity (mPa s) = 0.30021 + Viscosity (mPa s) = 0.31097 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.036e-03 Mass of water (kg) = 9.917e-01 @@ -26443,10 +26443,10 @@ Initial solution 1. pH = 3.000 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 660 + Specific Conductance (µS/cm, 100°C) = 597 Density (g/cm³) = 1.00186 Volume (L) = 1.07867 - Viscosity (mPa s) = 0.30088 + Viscosity (mPa s) = 0.31213 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.062e-03 Mass of water (kg) = 1.000e+00 @@ -26528,10 +26528,10 @@ CO2(g) 2.50 0.14 -2.36 1.000e+01 1.477e+01 4.772e+00 pH = 3.005 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 654 + Specific Conductance (µS/cm, 100°C) = 592 Density (g/cm³) = 1.00128 Volume (L) = 1.06779 - Viscosity (mPa s) = 0.30074 + Viscosity (mPa s) = 0.31163 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.048e-03 Mass of water (kg) = 9.916e-01 @@ -26609,10 +26609,10 @@ Initial solution 1. pH = 2.995 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 667 + Specific Conductance (µS/cm, 100°C) = 602 Density (g/cm³) = 1.00278 Volume (L) = 1.07840 - Viscosity (mPa s) = 0.30140 + Viscosity (mPa s) = 0.31278 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.074e-03 Mass of water (kg) = 1.000e+00 @@ -26694,10 +26694,10 @@ CO2(g) 2.51 0.15 -2.37 1.000e+01 1.470e+01 4.703e+00 pH = 3.001 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 660 + Specific Conductance (µS/cm, 100°C) = 598 Density (g/cm³) = 1.00220 Volume (L) = 1.06742 - Viscosity (mPa s) = 0.30126 + Viscosity (mPa s) = 0.31228 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.060e-03 Mass of water (kg) = 9.916e-01 @@ -26775,10 +26775,10 @@ Initial solution 1. pH = 2.990 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 673 + Specific Conductance (µS/cm, 100°C) = 607 Density (g/cm³) = 1.00368 Volume (L) = 1.07809 - Viscosity (mPa s) = 0.30193 + Viscosity (mPa s) = 0.31342 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.086e-03 Mass of water (kg) = 1.000e+00 @@ -26860,10 +26860,10 @@ CO2(g) 2.53 0.15 -2.38 1.000e+01 1.464e+01 4.635e+00 pH = 2.996 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 667 + Specific Conductance (µS/cm, 100°C) = 603 Density (g/cm³) = 1.00311 Volume (L) = 1.06705 - Viscosity (mPa s) = 0.30179 + Viscosity (mPa s) = 0.31293 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.072e-03 Mass of water (kg) = 9.915e-01 @@ -26941,10 +26941,10 @@ Initial solution 1. pH = 2.986 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 680 + Specific Conductance (µS/cm, 100°C) = 613 Density (g/cm³) = 1.00459 Volume (L) = 1.07781 - Viscosity (mPa s) = 0.30245 + Viscosity (mPa s) = 0.31407 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.098e-03 Mass of water (kg) = 1.000e+00 @@ -27026,10 +27026,10 @@ CO2(g) 2.54 0.15 -2.39 1.000e+01 1.457e+01 4.573e+00 pH = 2.991 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 674 + Specific Conductance (µS/cm, 100°C) = 609 Density (g/cm³) = 1.00401 Volume (L) = 1.06668 - Viscosity (mPa s) = 0.30231 + Viscosity (mPa s) = 0.31357 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.084e-03 Mass of water (kg) = 9.914e-01 @@ -27107,10 +27107,10 @@ Initial solution 1. pH = 2.981 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 687 + Specific Conductance (µS/cm, 100°C) = 618 Density (g/cm³) = 1.00548 Volume (L) = 1.07751 - Viscosity (mPa s) = 0.30297 + Viscosity (mPa s) = 0.31472 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.110e-03 Mass of water (kg) = 1.000e+00 @@ -27192,10 +27192,10 @@ CO2(g) 2.55 0.16 -2.40 1.000e+01 1.451e+01 4.511e+00 pH = 2.987 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 680 + Specific Conductance (µS/cm, 100°C) = 614 Density (g/cm³) = 1.00491 Volume (L) = 1.06630 - Viscosity (mPa s) = 0.30283 + Viscosity (mPa s) = 0.31422 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.096e-03 Mass of water (kg) = 9.914e-01 @@ -27273,10 +27273,10 @@ Initial solution 1. pH = 2.977 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 693 + Specific Conductance (µS/cm, 100°C) = 623 Density (g/cm³) = 1.00637 Volume (L) = 1.07720 - Viscosity (mPa s) = 0.30349 + Viscosity (mPa s) = 0.31536 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.122e-03 Mass of water (kg) = 1.000e+00 @@ -27358,10 +27358,10 @@ CO2(g) 2.57 0.16 -2.41 1.000e+01 1.445e+01 4.452e+00 pH = 2.982 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 687 + Specific Conductance (µS/cm, 100°C) = 620 Density (g/cm³) = 1.00581 Volume (L) = 1.06593 - Viscosity (mPa s) = 0.30336 + Viscosity (mPa s) = 0.31486 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.107e-03 Mass of water (kg) = 9.913e-01 @@ -27439,10 +27439,10 @@ Initial solution 1. pH = 2.972 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 700 + Specific Conductance (µS/cm, 100°C) = 629 Density (g/cm³) = 1.00726 Volume (L) = 1.07687 - Viscosity (mPa s) = 0.30401 + Viscosity (mPa s) = 0.31600 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.134e-03 Mass of water (kg) = 1.000e+00 @@ -27524,10 +27524,10 @@ CO2(g) 2.58 0.16 -2.42 1.000e+01 1.440e+01 4.395e+00 pH = 2.978 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 693 + Specific Conductance (µS/cm, 100°C) = 625 Density (g/cm³) = 1.00669 Volume (L) = 1.06555 - Viscosity (mPa s) = 0.30388 + Viscosity (mPa s) = 0.31550 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.119e-03 Mass of water (kg) = 9.913e-01 @@ -27605,10 +27605,10 @@ Initial solution 1. pH = 2.968 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 706 + Specific Conductance (µS/cm, 100°C) = 634 Density (g/cm³) = 1.00814 Volume (L) = 1.07658 - Viscosity (mPa s) = 0.30453 + Viscosity (mPa s) = 0.31665 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.146e-03 Mass of water (kg) = 1.000e+00 @@ -27690,10 +27690,10 @@ CO2(g) 2.59 0.16 -2.43 1.000e+01 1.434e+01 4.342e+00 pH = 2.973 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 700 + Specific Conductance (µS/cm, 100°C) = 630 Density (g/cm³) = 1.00757 Volume (L) = 1.06517 - Viscosity (mPa s) = 0.30440 + Viscosity (mPa s) = 0.31614 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.131e-03 Mass of water (kg) = 9.912e-01 @@ -27771,10 +27771,10 @@ Initial solution 1. pH = 2.964 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 713 + Specific Conductance (µS/cm, 100°C) = 639 Density (g/cm³) = 1.00901 Volume (L) = 1.07623 - Viscosity (mPa s) = 0.30505 + Viscosity (mPa s) = 0.31728 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.158e-03 Mass of water (kg) = 1.000e+00 @@ -27856,10 +27856,10 @@ CO2(g) 2.60 0.17 -2.44 1.000e+01 1.429e+01 4.288e+00 pH = 2.969 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 706 + Specific Conductance (µS/cm, 100°C) = 636 Density (g/cm³) = 1.00845 Volume (L) = 1.06479 - Viscosity (mPa s) = 0.30493 + Viscosity (mPa s) = 0.31678 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.143e-03 Mass of water (kg) = 9.912e-01 @@ -27937,10 +27937,10 @@ Initial solution 1. pH = 2.959 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 719 + Specific Conductance (µS/cm, 100°C) = 644 Density (g/cm³) = 1.00988 Volume (L) = 1.07592 - Viscosity (mPa s) = 0.30557 + Viscosity (mPa s) = 0.31792 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.170e-03 Mass of water (kg) = 1.000e+00 @@ -28022,10 +28022,10 @@ CO2(g) 2.61 0.17 -2.45 1.000e+01 1.424e+01 4.239e+00 pH = 2.965 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 713 + Specific Conductance (µS/cm, 100°C) = 641 Density (g/cm³) = 1.00931 Volume (L) = 1.06442 - Viscosity (mPa s) = 0.30544 + Viscosity (mPa s) = 0.31741 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.155e-03 Mass of water (kg) = 9.911e-01 @@ -28103,10 +28103,10 @@ Initial solution 1. pH = 2.955 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 725 + Specific Conductance (µS/cm, 100°C) = 650 Density (g/cm³) = 1.01075 Volume (L) = 1.07557 - Viscosity (mPa s) = 0.30609 + Viscosity (mPa s) = 0.31855 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.181e-03 Mass of water (kg) = 1.000e+00 @@ -28188,10 +28188,10 @@ CO2(g) 2.63 0.17 -2.46 1.000e+01 1.419e+01 4.189e+00 pH = 2.960 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 719 + Specific Conductance (µS/cm, 100°C) = 646 Density (g/cm³) = 1.01018 Volume (L) = 1.06404 - Viscosity (mPa s) = 0.30597 + Viscosity (mPa s) = 0.31805 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.166e-03 Mass of water (kg) = 9.911e-01 @@ -28269,10 +28269,10 @@ Initial solution 1. pH = 2.951 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 732 + Specific Conductance (µS/cm, 100°C) = 655 Density (g/cm³) = 1.01160 Volume (L) = 1.07523 - Viscosity (mPa s) = 0.30661 + Viscosity (mPa s) = 0.31919 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.193e-03 Mass of water (kg) = 1.000e+00 @@ -28354,10 +28354,10 @@ CO2(g) 2.64 0.17 -2.47 1.000e+01 1.414e+01 4.142e+00 pH = 2.956 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 726 + Specific Conductance (µS/cm, 100°C) = 651 Density (g/cm³) = 1.01104 Volume (L) = 1.06366 - Viscosity (mPa s) = 0.30648 + Viscosity (mPa s) = 0.31868 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.178e-03 Mass of water (kg) = 9.911e-01 @@ -28435,10 +28435,10 @@ Initial solution 1. pH = 2.947 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 738 + Specific Conductance (µS/cm, 100°C) = 660 Density (g/cm³) = 1.01246 Volume (L) = 1.07491 - Viscosity (mPa s) = 0.30712 + Viscosity (mPa s) = 0.31982 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.205e-03 Mass of water (kg) = 1.000e+00 @@ -28520,10 +28520,10 @@ CO2(g) 2.65 0.17 -2.48 1.000e+01 1.410e+01 4.097e+00 pH = 2.952 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 732 + Specific Conductance (µS/cm, 100°C) = 657 Density (g/cm³) = 1.01189 Volume (L) = 1.06329 - Viscosity (mPa s) = 0.30700 + Viscosity (mPa s) = 0.31931 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.190e-03 Mass of water (kg) = 9.911e-01 @@ -28601,10 +28601,10 @@ Initial solution 1. pH = 2.943 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 745 + Specific Conductance (µS/cm, 100°C) = 665 Density (g/cm³) = 1.01330 Volume (L) = 1.07455 - Viscosity (mPa s) = 0.30764 + Viscosity (mPa s) = 0.32045 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.217e-03 Mass of water (kg) = 1.000e+00 @@ -28686,10 +28686,10 @@ CO2(g) 2.66 0.18 -2.49 1.000e+01 1.405e+01 4.051e+00 pH = 2.948 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 738 + Specific Conductance (µS/cm, 100°C) = 662 Density (g/cm³) = 1.01274 Volume (L) = 1.06291 - Viscosity (mPa s) = 0.30752 + Viscosity (mPa s) = 0.31994 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 9.910e-01 @@ -28864,7 +28864,7 @@ Initial solution 1. Specific Conductance (µS/cm, 150°C) = 33 Density (g/cm³) = 0.91704 Volume (L) = 1.09092 - Viscosity (mPa s) = 0.18262 + Viscosity (mPa s) = 0.18264 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.066e-05 Mass of water (kg) = 1.000e+00 @@ -28942,10 +28942,10 @@ Initial solution 1. pH = 3.763 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 144 + Specific Conductance (µS/cm, 150°C) = 143 Density (g/cm³) = 0.91844 Volume (L) = 1.09708 - Viscosity (mPa s) = 0.18305 + Viscosity (mPa s) = 0.18339 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.766e-04 Mass of water (kg) = 1.000e+00 @@ -29030,7 +29030,7 @@ CO2(g) 0.04 -2.03 -2.08 1.000e+01 1.019e+01 1.859e-01 Specific Conductance (µS/cm, 150°C) = 33 Density (g/cm³) = 0.91710 Volume (L) = 1.09794 - Viscosity (mPa s) = 0.18265 + Viscosity (mPa s) = 0.18267 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.066e-05 Mass of water (kg) = 1.007e+00 @@ -29108,10 +29108,10 @@ Initial solution 1. pH = 3.626 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 195 + Specific Conductance (µS/cm, 150°C) = 194 Density (g/cm³) = 0.92003 Volume (L) = 1.10245 - Viscosity (mPa s) = 0.18357 + Viscosity (mPa s) = 0.18422 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.430e-04 Mass of water (kg) = 1.000e+00 @@ -29193,10 +29193,10 @@ CO2(g) 1.31 -0.78 -2.09 1.000e+01 1.073e+01 7.285e-01 pH = 3.763 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 144 + Specific Conductance (µS/cm, 150°C) = 143 Density (g/cm³) = 0.91875 Volume (L) = 1.10499 - Viscosity (mPa s) = 0.18319 + Viscosity (mPa s) = 0.18353 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.766e-04 Mass of water (kg) = 1.008e+00 @@ -29274,10 +29274,10 @@ Initial solution 1. pH = 3.549 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 232 + Specific Conductance (µS/cm, 150°C) = 229 Density (g/cm³) = 0.92159 Volume (L) = 1.10731 - Viscosity (mPa s) = 0.18409 + Viscosity (mPa s) = 0.18503 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.917e-04 Mass of water (kg) = 1.000e+00 @@ -29359,10 +29359,10 @@ CO2(g) 1.58 -0.51 -2.10 1.000e+01 2.782e+01 1.782e+01 pH = 3.626 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 195 + Specific Conductance (µS/cm, 150°C) = 194 Density (g/cm³) = 0.92037 Volume (L) = 1.19016 - Viscosity (mPa s) = 0.18373 + Viscosity (mPa s) = 0.18437 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.430e-04 Mass of water (kg) = 1.080e+00 @@ -29440,10 +29440,10 @@ Initial solution 1. pH = 3.495 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 260 + Specific Conductance (µS/cm, 150°C) = 256 Density (g/cm³) = 0.92312 Volume (L) = 1.11167 - Viscosity (mPa s) = 0.18461 + Viscosity (mPa s) = 0.18583 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.310e-04 Mass of water (kg) = 1.000e+00 @@ -29525,10 +29525,10 @@ CO2(g) 1.74 -0.37 -2.11 1.000e+01 2.700e+01 1.700e+01 pH = 3.549 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 232 + Specific Conductance (µS/cm, 150°C) = 229 Density (g/cm³) = 0.92197 Volume (L) = 1.16426 - Viscosity (mPa s) = 0.18427 + Viscosity (mPa s) = 0.18520 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.917e-04 Mass of water (kg) = 1.052e+00 @@ -29606,10 +29606,10 @@ Initial solution 1. pH = 3.455 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 283 + Specific Conductance (µS/cm, 150°C) = 277 Density (g/cm³) = 0.92463 Volume (L) = 1.11557 - Viscosity (mPa s) = 0.18512 + Viscosity (mPa s) = 0.18661 Activity of water = 0.988 Ionic strength (mol/kgw) = 3.640e-04 Mass of water (kg) = 1.000e+00 @@ -29691,10 +29691,10 @@ CO2(g) 1.85 -0.27 -2.12 1.000e+01 2.639e+01 1.639e+01 pH = 3.495 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 260 + Specific Conductance (µS/cm, 150°C) = 256 Density (g/cm³) = 0.92355 Volume (L) = 1.15323 - Viscosity (mPa s) = 0.18480 + Viscosity (mPa s) = 0.18602 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.309e-04 Mass of water (kg) = 1.038e+00 @@ -29772,10 +29772,10 @@ Initial solution 1. pH = 3.423 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 302 + Specific Conductance (µS/cm, 150°C) = 295 Density (g/cm³) = 0.92612 Volume (L) = 1.11902 - Viscosity (mPa s) = 0.18563 + Viscosity (mPa s) = 0.18738 Activity of water = 0.986 Ionic strength (mol/kgw) = 3.924e-04 Mass of water (kg) = 1.000e+00 @@ -29857,10 +29857,10 @@ CO2(g) 1.93 -0.20 -2.13 1.000e+01 2.588e+01 1.588e+01 pH = 3.455 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 283 + Specific Conductance (µS/cm, 150°C) = 277 Density (g/cm³) = 0.92511 Volume (L) = 1.14773 - Viscosity (mPa s) = 0.18534 + Viscosity (mPa s) = 0.18683 Activity of water = 0.988 Ionic strength (mol/kgw) = 3.639e-04 Mass of water (kg) = 1.030e+00 @@ -29938,10 +29938,10 @@ Initial solution 1. pH = 3.397 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 319 + Specific Conductance (µS/cm, 150°C) = 310 Density (g/cm³) = 0.92758 Volume (L) = 1.12208 - Viscosity (mPa s) = 0.18614 + Viscosity (mPa s) = 0.18813 Activity of water = 0.985 Ionic strength (mol/kgw) = 4.175e-04 Mass of water (kg) = 1.000e+00 @@ -30023,10 +30023,10 @@ CO2(g) 2.00 -0.14 -2.14 1.000e+01 2.541e+01 1.541e+01 pH = 3.423 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 303 + Specific Conductance (µS/cm, 150°C) = 295 Density (g/cm³) = 0.92665 Volume (L) = 1.14460 - Viscosity (mPa s) = 0.18588 + Viscosity (mPa s) = 0.18762 Activity of water = 0.986 Ionic strength (mol/kgw) = 3.923e-04 Mass of water (kg) = 1.024e+00 @@ -30104,10 +30104,10 @@ Initial solution 1. pH = 3.375 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 334 + Specific Conductance (µS/cm, 150°C) = 323 Density (g/cm³) = 0.92902 Volume (L) = 1.12478 - Viscosity (mPa s) = 0.18664 + Viscosity (mPa s) = 0.18887 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.401e-04 Mass of water (kg) = 1.000e+00 @@ -30189,10 +30189,10 @@ CO2(g) 2.05 -0.10 -2.16 1.000e+01 2.493e+01 1.493e+01 pH = 3.397 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 319 + Specific Conductance (µS/cm, 150°C) = 310 Density (g/cm³) = 0.92817 Volume (L) = 1.14259 - Viscosity (mPa s) = 0.18641 + Viscosity (mPa s) = 0.18840 Activity of water = 0.985 Ionic strength (mol/kgw) = 4.174e-04 Mass of water (kg) = 1.020e+00 @@ -30270,10 +30270,10 @@ Initial solution 1. pH = 3.356 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 347 + Specific Conductance (µS/cm, 150°C) = 335 Density (g/cm³) = 0.93044 Volume (L) = 1.12714 - Viscosity (mPa s) = 0.18714 + Viscosity (mPa s) = 0.18960 Activity of water = 0.982 Ionic strength (mol/kgw) = 4.605e-04 Mass of water (kg) = 1.000e+00 @@ -30355,10 +30355,10 @@ CO2(g) 2.10 -0.07 -2.17 1.000e+01 2.443e+01 1.443e+01 pH = 3.375 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 334 + Specific Conductance (µS/cm, 150°C) = 324 Density (g/cm³) = 0.92967 Volume (L) = 1.14112 - Viscosity (mPa s) = 0.18695 + Viscosity (mPa s) = 0.18916 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.399e-04 Mass of water (kg) = 1.016e+00 @@ -30436,10 +30436,10 @@ Initial solution 1. pH = 3.339 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 359 + Specific Conductance (µS/cm, 150°C) = 345 Density (g/cm³) = 0.93183 Volume (L) = 1.12922 - Viscosity (mPa s) = 0.18765 + Viscosity (mPa s) = 0.19032 Activity of water = 0.981 Ionic strength (mol/kgw) = 4.792e-04 Mass of water (kg) = 1.000e+00 @@ -30521,10 +30521,10 @@ CO2(g) 2.14 -0.04 -2.18 1.000e+01 2.393e+01 1.393e+01 pH = 3.356 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 347 + Specific Conductance (µS/cm, 150°C) = 335 Density (g/cm³) = 0.93115 Volume (L) = 1.13992 - Viscosity (mPa s) = 0.18749 + Viscosity (mPa s) = 0.18992 Activity of water = 0.982 Ionic strength (mol/kgw) = 4.602e-04 Mass of water (kg) = 1.013e+00 @@ -30602,10 +30602,10 @@ Initial solution 1. pH = 3.324 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 369 + Specific Conductance (µS/cm, 150°C) = 355 Density (g/cm³) = 0.93321 Volume (L) = 1.13106 - Viscosity (mPa s) = 0.18815 + Viscosity (mPa s) = 0.19102 Activity of water = 0.980 Ionic strength (mol/kgw) = 4.966e-04 Mass of water (kg) = 1.000e+00 @@ -30687,10 +30687,10 @@ CO2(g) 2.18 -0.01 -2.19 1.000e+01 2.343e+01 1.343e+01 pH = 3.339 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 359 + Specific Conductance (µS/cm, 150°C) = 346 Density (g/cm³) = 0.93261 Volume (L) = 1.13886 - Viscosity (mPa s) = 0.18802 + Viscosity (mPa s) = 0.19066 Activity of water = 0.981 Ionic strength (mol/kgw) = 4.789e-04 Mass of water (kg) = 1.010e+00 @@ -30768,10 +30768,10 @@ Initial solution 1. pH = 3.311 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 379 + Specific Conductance (µS/cm, 150°C) = 363 Density (g/cm³) = 0.93457 Volume (L) = 1.13267 - Viscosity (mPa s) = 0.18864 + Viscosity (mPa s) = 0.19172 Activity of water = 0.979 Ionic strength (mol/kgw) = 5.129e-04 Mass of water (kg) = 1.000e+00 @@ -30853,10 +30853,10 @@ CO2(g) 2.21 0.01 -2.20 1.000e+01 2.294e+01 1.294e+01 pH = 3.324 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 370 + Specific Conductance (µS/cm, 150°C) = 355 Density (g/cm³) = 0.93404 Volume (L) = 1.13788 - Viscosity (mPa s) = 0.18855 + Viscosity (mPa s) = 0.19139 Activity of water = 0.980 Ionic strength (mol/kgw) = 4.963e-04 Mass of water (kg) = 1.008e+00 @@ -30934,10 +30934,10 @@ Initial solution 1. pH = 3.298 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 389 + Specific Conductance (µS/cm, 150°C) = 371 Density (g/cm³) = 0.93591 Volume (L) = 1.13410 - Viscosity (mPa s) = 0.18914 + Viscosity (mPa s) = 0.19240 Activity of water = 0.978 Ionic strength (mol/kgw) = 5.283e-04 Mass of water (kg) = 1.000e+00 @@ -31019,10 +31019,10 @@ CO2(g) 2.24 0.03 -2.21 1.000e+01 2.248e+01 1.248e+01 pH = 3.311 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 380 + Specific Conductance (µS/cm, 150°C) = 364 Density (g/cm³) = 0.93545 Volume (L) = 1.13695 - Viscosity (mPa s) = 0.18908 + Viscosity (mPa s) = 0.19211 Activity of water = 0.979 Ionic strength (mol/kgw) = 5.125e-04 Mass of water (kg) = 1.006e+00 @@ -31100,10 +31100,10 @@ Initial solution 1. pH = 3.287 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 397 + Specific Conductance (µS/cm, 150°C) = 379 Density (g/cm³) = 0.93724 Volume (L) = 1.13537 - Viscosity (mPa s) = 0.18963 + Viscosity (mPa s) = 0.19308 Activity of water = 0.977 Ionic strength (mol/kgw) = 5.430e-04 Mass of water (kg) = 1.000e+00 @@ -31185,10 +31185,10 @@ CO2(g) 2.26 0.04 -2.22 1.000e+01 2.206e+01 1.206e+01 pH = 3.299 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 389 + Specific Conductance (µS/cm, 150°C) = 372 Density (g/cm³) = 0.93685 Volume (L) = 1.13606 - Viscosity (mPa s) = 0.18961 + Viscosity (mPa s) = 0.19281 Activity of water = 0.978 Ionic strength (mol/kgw) = 5.278e-04 Mass of water (kg) = 1.004e+00 @@ -31266,10 +31266,10 @@ Initial solution 1. pH = 3.276 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 406 + Specific Conductance (µS/cm, 150°C) = 386 Density (g/cm³) = 0.93855 Volume (L) = 1.13648 - Viscosity (mPa s) = 0.19013 + Viscosity (mPa s) = 0.19375 Activity of water = 0.976 Ionic strength (mol/kgw) = 5.570e-04 Mass of water (kg) = 1.000e+00 @@ -31351,10 +31351,10 @@ CO2(g) 2.29 0.06 -2.23 1.000e+01 2.166e+01 1.166e+01 pH = 3.287 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 398 + Specific Conductance (µS/cm, 150°C) = 380 Density (g/cm³) = 0.93822 Volume (L) = 1.13521 - Viscosity (mPa s) = 0.19013 + Viscosity (mPa s) = 0.19351 Activity of water = 0.978 Ionic strength (mol/kgw) = 5.424e-04 Mass of water (kg) = 1.003e+00 @@ -31432,10 +31432,10 @@ Initial solution 1. pH = 3.266 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 414 + Specific Conductance (µS/cm, 150°C) = 392 Density (g/cm³) = 0.93985 Volume (L) = 1.13748 - Viscosity (mPa s) = 0.19062 + Viscosity (mPa s) = 0.19442 Activity of water = 0.975 Ionic strength (mol/kgw) = 5.705e-04 Mass of water (kg) = 1.000e+00 @@ -31517,10 +31517,10 @@ CO2(g) 2.31 0.07 -2.24 1.000e+01 2.129e+01 1.129e+01 pH = 3.277 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 407 + Specific Conductance (µS/cm, 150°C) = 387 Density (g/cm³) = 0.93957 Volume (L) = 1.13440 - Viscosity (mPa s) = 0.19065 + Viscosity (mPa s) = 0.19420 Activity of water = 0.977 Ionic strength (mol/kgw) = 5.563e-04 Mass of water (kg) = 1.001e+00 @@ -31598,10 +31598,10 @@ Initial solution 1. pH = 3.257 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 421 + Specific Conductance (µS/cm, 150°C) = 399 Density (g/cm³) = 0.94114 Volume (L) = 1.13838 - Viscosity (mPa s) = 0.19110 + Viscosity (mPa s) = 0.19508 Activity of water = 0.975 Ionic strength (mol/kgw) = 5.836e-04 Mass of water (kg) = 1.000e+00 @@ -31683,10 +31683,10 @@ CO2(g) 2.33 0.08 -2.26 1.000e+01 2.096e+01 1.096e+01 pH = 3.267 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 415 + Specific Conductance (µS/cm, 150°C) = 394 Density (g/cm³) = 0.94091 Volume (L) = 1.13362 - Viscosity (mPa s) = 0.19116 + Viscosity (mPa s) = 0.19488 Activity of water = 0.976 Ionic strength (mol/kgw) = 5.697e-04 Mass of water (kg) = 9.999e-01 @@ -31764,10 +31764,10 @@ Initial solution 1. pH = 3.248 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 429 + Specific Conductance (µS/cm, 150°C) = 405 Density (g/cm³) = 0.94242 Volume (L) = 1.13917 - Viscosity (mPa s) = 0.19159 + Viscosity (mPa s) = 0.19573 Activity of water = 0.974 Ionic strength (mol/kgw) = 5.962e-04 Mass of water (kg) = 1.000e+00 @@ -31849,10 +31849,10 @@ CO2(g) 2.36 0.09 -2.27 1.000e+01 2.065e+01 1.065e+01 pH = 3.257 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 423 + Specific Conductance (µS/cm, 150°C) = 400 Density (g/cm³) = 0.94223 Volume (L) = 1.13288 - Viscosity (mPa s) = 0.19168 + Viscosity (mPa s) = 0.19555 Activity of water = 0.976 Ionic strength (mol/kgw) = 5.827e-04 Mass of water (kg) = 9.987e-01 @@ -31930,10 +31930,10 @@ Initial solution 1. pH = 3.239 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 436 + Specific Conductance (µS/cm, 150°C) = 411 Density (g/cm³) = 0.94368 Volume (L) = 1.13988 - Viscosity (mPa s) = 0.19208 + Viscosity (mPa s) = 0.19638 Activity of water = 0.973 Ionic strength (mol/kgw) = 6.085e-04 Mass of water (kg) = 1.000e+00 @@ -32015,10 +32015,10 @@ CO2(g) 2.38 0.10 -2.28 1.000e+01 2.036e+01 1.036e+01 pH = 3.248 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 430 + Specific Conductance (µS/cm, 150°C) = 407 Density (g/cm³) = 0.94353 Volume (L) = 1.13217 - Viscosity (mPa s) = 0.19218 + Viscosity (mPa s) = 0.19622 Activity of water = 0.975 Ionic strength (mol/kgw) = 5.952e-04 Mass of water (kg) = 9.976e-01 @@ -32096,10 +32096,10 @@ Initial solution 1. pH = 3.231 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 443 + Specific Conductance (µS/cm, 150°C) = 417 Density (g/cm³) = 0.94494 Volume (L) = 1.14054 - Viscosity (mPa s) = 0.19256 + Viscosity (mPa s) = 0.19702 Activity of water = 0.973 Ionic strength (mol/kgw) = 6.206e-04 Mass of water (kg) = 1.000e+00 @@ -32181,10 +32181,10 @@ CO2(g) 2.39 0.11 -2.29 1.000e+01 2.010e+01 1.010e+01 pH = 3.240 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 437 + Specific Conductance (µS/cm, 150°C) = 413 Density (g/cm³) = 0.94482 Volume (L) = 1.13150 - Viscosity (mPa s) = 0.19269 + Viscosity (mPa s) = 0.19688 Activity of water = 0.974 Ionic strength (mol/kgw) = 6.074e-04 Mass of water (kg) = 9.966e-01 @@ -32262,10 +32262,10 @@ Initial solution 1. pH = 3.223 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 450 + Specific Conductance (µS/cm, 150°C) = 422 Density (g/cm³) = 0.94618 Volume (L) = 1.14111 - Viscosity (mPa s) = 0.19305 + Viscosity (mPa s) = 0.19766 Activity of water = 0.972 Ionic strength (mol/kgw) = 6.323e-04 Mass of water (kg) = 1.000e+00 @@ -32347,10 +32347,10 @@ CO2(g) 2.41 0.12 -2.30 1.000e+01 1.986e+01 9.861e+00 pH = 3.232 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 444 + Specific Conductance (µS/cm, 150°C) = 419 Density (g/cm³) = 0.94610 Volume (L) = 1.13085 - Viscosity (mPa s) = 0.19319 + Viscosity (mPa s) = 0.19753 Activity of water = 0.974 Ionic strength (mol/kgw) = 6.193e-04 Mass of water (kg) = 9.956e-01 @@ -32428,10 +32428,10 @@ Initial solution 1. pH = 3.216 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 456 + Specific Conductance (µS/cm, 150°C) = 427 Density (g/cm³) = 0.94742 Volume (L) = 1.14162 - Viscosity (mPa s) = 0.19353 + Viscosity (mPa s) = 0.19830 Activity of water = 0.972 Ionic strength (mol/kgw) = 6.438e-04 Mass of water (kg) = 1.000e+00 @@ -32513,10 +32513,10 @@ CO2(g) 2.43 0.12 -2.31 1.000e+01 1.964e+01 9.638e+00 pH = 3.224 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 451 + Specific Conductance (µS/cm, 150°C) = 424 Density (g/cm³) = 0.94736 Volume (L) = 1.13024 - Viscosity (mPa s) = 0.19369 + Viscosity (mPa s) = 0.19818 Activity of water = 0.973 Ionic strength (mol/kgw) = 6.309e-04 Mass of water (kg) = 9.947e-01 @@ -32594,10 +32594,10 @@ Initial solution 1. pH = 3.208 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 463 + Specific Conductance (µS/cm, 150°C) = 433 Density (g/cm³) = 0.94865 Volume (L) = 1.14209 - Viscosity (mPa s) = 0.19401 + Viscosity (mPa s) = 0.19893 Activity of water = 0.971 Ionic strength (mol/kgw) = 6.552e-04 Mass of water (kg) = 1.000e+00 @@ -32679,10 +32679,10 @@ CO2(g) 2.45 0.13 -2.32 1.000e+01 1.943e+01 9.432e+00 pH = 3.216 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 458 + Specific Conductance (µS/cm, 150°C) = 430 Density (g/cm³) = 0.94860 Volume (L) = 1.12965 - Viscosity (mPa s) = 0.19419 + Viscosity (mPa s) = 0.19882 Activity of water = 0.973 Ionic strength (mol/kgw) = 6.423e-04 Mass of water (kg) = 9.940e-01 @@ -32760,10 +32760,10 @@ Initial solution 1. pH = 3.201 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 469 + Specific Conductance (µS/cm, 150°C) = 438 Density (g/cm³) = 0.94986 Volume (L) = 1.14251 - Viscosity (mPa s) = 0.19449 + Viscosity (mPa s) = 0.19956 Activity of water = 0.971 Ionic strength (mol/kgw) = 6.663e-04 Mass of water (kg) = 1.000e+00 @@ -32845,10 +32845,10 @@ CO2(g) 2.47 0.14 -2.33 1.000e+01 1.924e+01 9.238e+00 pH = 3.209 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 464 + Specific Conductance (µS/cm, 150°C) = 435 Density (g/cm³) = 0.94984 Volume (L) = 1.12909 - Viscosity (mPa s) = 0.19468 + Viscosity (mPa s) = 0.19945 Activity of water = 0.972 Ionic strength (mol/kgw) = 6.536e-04 Mass of water (kg) = 9.932e-01 @@ -32926,10 +32926,10 @@ Initial solution 1. pH = 3.195 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 475 + Specific Conductance (µS/cm, 150°C) = 443 Density (g/cm³) = 0.95107 Volume (L) = 1.14289 - Viscosity (mPa s) = 0.19496 + Viscosity (mPa s) = 0.20019 Activity of water = 0.970 Ionic strength (mol/kgw) = 6.773e-04 Mass of water (kg) = 1.000e+00 @@ -33011,10 +33011,10 @@ CO2(g) 2.48 0.14 -2.34 1.000e+01 1.906e+01 9.059e+00 pH = 3.202 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 471 + Specific Conductance (µS/cm, 150°C) = 440 Density (g/cm³) = 0.95106 Volume (L) = 1.12855 - Viscosity (mPa s) = 0.19517 + Viscosity (mPa s) = 0.20008 Activity of water = 0.972 Ionic strength (mol/kgw) = 6.645e-04 Mass of water (kg) = 9.925e-01 @@ -33092,10 +33092,10 @@ Initial solution 1. pH = 3.188 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 481 + Specific Conductance (µS/cm, 150°C) = 448 Density (g/cm³) = 0.95227 Volume (L) = 1.14323 - Viscosity (mPa s) = 0.19544 + Viscosity (mPa s) = 0.20082 Activity of water = 0.970 Ionic strength (mol/kgw) = 6.881e-04 Mass of water (kg) = 1.000e+00 @@ -33177,10 +33177,10 @@ CO2(g) 2.50 0.15 -2.35 1.000e+01 1.889e+01 8.890e+00 pH = 3.195 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 477 + Specific Conductance (µS/cm, 150°C) = 445 Density (g/cm³) = 0.95227 Volume (L) = 1.12803 - Viscosity (mPa s) = 0.19566 + Viscosity (mPa s) = 0.20071 Activity of water = 0.971 Ionic strength (mol/kgw) = 6.754e-04 Mass of water (kg) = 9.919e-01 @@ -33258,10 +33258,10 @@ Initial solution 1. pH = 3.182 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 487 + Specific Conductance (µS/cm, 150°C) = 452 Density (g/cm³) = 0.95347 Volume (L) = 1.14355 - Viscosity (mPa s) = 0.19592 + Viscosity (mPa s) = 0.20144 Activity of water = 0.969 Ionic strength (mol/kgw) = 6.988e-04 Mass of water (kg) = 1.000e+00 @@ -33343,10 +33343,10 @@ CO2(g) 2.51 0.15 -2.36 1.000e+01 1.873e+01 8.732e+00 pH = 3.189 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 483 + Specific Conductance (µS/cm, 150°C) = 450 Density (g/cm³) = 0.95348 Volume (L) = 1.12754 - Viscosity (mPa s) = 0.19615 + Viscosity (mPa s) = 0.20134 Activity of water = 0.971 Ionic strength (mol/kgw) = 6.861e-04 Mass of water (kg) = 9.913e-01 @@ -33424,10 +33424,10 @@ Initial solution 1. pH = 3.175 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 493 + Specific Conductance (µS/cm, 150°C) = 457 Density (g/cm³) = 0.95465 Volume (L) = 1.14381 - Viscosity (mPa s) = 0.19639 + Viscosity (mPa s) = 0.20206 Activity of water = 0.969 Ionic strength (mol/kgw) = 7.093e-04 Mass of water (kg) = 1.000e+00 @@ -33509,10 +33509,10 @@ CO2(g) 2.53 0.16 -2.37 1.000e+01 1.858e+01 8.582e+00 pH = 3.182 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 489 + Specific Conductance (µS/cm, 150°C) = 455 Density (g/cm³) = 0.95467 Volume (L) = 1.12707 - Viscosity (mPa s) = 0.19664 + Viscosity (mPa s) = 0.20196 Activity of water = 0.971 Ionic strength (mol/kgw) = 6.967e-04 Mass of water (kg) = 9.908e-01 @@ -33590,10 +33590,10 @@ Initial solution 1. pH = 3.169 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 499 + Specific Conductance (µS/cm, 150°C) = 462 Density (g/cm³) = 0.95583 Volume (L) = 1.14409 - Viscosity (mPa s) = 0.19686 + Viscosity (mPa s) = 0.20267 Activity of water = 0.968 Ionic strength (mol/kgw) = 7.199e-04 Mass of water (kg) = 1.000e+00 @@ -33675,10 +33675,10 @@ CO2(g) 2.54 0.17 -2.38 1.000e+01 1.844e+01 8.444e+00 pH = 3.176 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 495 + Specific Conductance (µS/cm, 150°C) = 460 Density (g/cm³) = 0.95585 Volume (L) = 1.12661 - Viscosity (mPa s) = 0.19712 + Viscosity (mPa s) = 0.20257 Activity of water = 0.970 Ionic strength (mol/kgw) = 7.071e-04 Mass of water (kg) = 9.903e-01 @@ -33756,10 +33756,10 @@ Initial solution 1. pH = 3.163 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 505 + Specific Conductance (µS/cm, 150°C) = 466 Density (g/cm³) = 0.95700 Volume (L) = 1.14429 - Viscosity (mPa s) = 0.19733 + Viscosity (mPa s) = 0.20329 Activity of water = 0.968 Ionic strength (mol/kgw) = 7.301e-04 Mass of water (kg) = 1.000e+00 @@ -33841,10 +33841,10 @@ CO2(g) 2.56 0.17 -2.39 1.000e+01 1.831e+01 8.308e+00 pH = 3.170 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 501 + Specific Conductance (µS/cm, 150°C) = 465 Density (g/cm³) = 0.95703 Volume (L) = 1.12617 - Viscosity (mPa s) = 0.19760 + Viscosity (mPa s) = 0.20319 Activity of water = 0.970 Ionic strength (mol/kgw) = 7.175e-04 Mass of water (kg) = 9.898e-01 @@ -33922,10 +33922,10 @@ Initial solution 1. pH = 3.157 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 510 + Specific Conductance (µS/cm, 150°C) = 471 Density (g/cm³) = 0.95817 Volume (L) = 1.14452 - Viscosity (mPa s) = 0.19781 + Viscosity (mPa s) = 0.20390 Activity of water = 0.968 Ionic strength (mol/kgw) = 7.404e-04 Mass of water (kg) = 1.000e+00 @@ -34007,10 +34007,10 @@ CO2(g) 2.57 0.17 -2.40 1.000e+01 1.819e+01 8.185e+00 pH = 3.164 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 507 + Specific Conductance (µS/cm, 150°C) = 470 Density (g/cm³) = 0.95819 Volume (L) = 1.12575 - Viscosity (mPa s) = 0.19808 + Viscosity (mPa s) = 0.20380 Activity of water = 0.969 Ionic strength (mol/kgw) = 7.276e-04 Mass of water (kg) = 9.894e-01 @@ -34088,10 +34088,10 @@ Initial solution 1. pH = 3.152 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 516 + Specific Conductance (µS/cm, 150°C) = 475 Density (g/cm³) = 0.95932 Volume (L) = 1.14468 - Viscosity (mPa s) = 0.19827 + Viscosity (mPa s) = 0.20451 Activity of water = 0.967 Ionic strength (mol/kgw) = 7.506e-04 Mass of water (kg) = 1.000e+00 @@ -34173,10 +34173,10 @@ CO2(g) 2.59 0.18 -2.41 1.000e+01 1.806e+01 8.064e+00 pH = 3.158 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 513 + Specific Conductance (µS/cm, 150°C) = 474 Density (g/cm³) = 0.95935 Volume (L) = 1.12535 - Viscosity (mPa s) = 0.19856 + Viscosity (mPa s) = 0.20441 Activity of water = 0.969 Ionic strength (mol/kgw) = 7.378e-04 Mass of water (kg) = 9.890e-01 @@ -34254,10 +34254,10 @@ Initial solution 1. pH = 3.146 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 522 + Specific Conductance (µS/cm, 150°C) = 479 Density (g/cm³) = 0.96047 Volume (L) = 1.14487 - Viscosity (mPa s) = 0.19874 + Viscosity (mPa s) = 0.20512 Activity of water = 0.967 Ionic strength (mol/kgw) = 7.607e-04 Mass of water (kg) = 1.000e+00 @@ -34339,10 +34339,10 @@ CO2(g) 2.60 0.18 -2.42 1.000e+01 1.795e+01 7.952e+00 pH = 3.153 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 518 + Specific Conductance (µS/cm, 150°C) = 479 Density (g/cm³) = 0.96049 Volume (L) = 1.12496 - Viscosity (mPa s) = 0.19903 + Viscosity (mPa s) = 0.20501 Activity of water = 0.969 Ionic strength (mol/kgw) = 7.478e-04 Mass of water (kg) = 9.886e-01 @@ -34420,10 +34420,10 @@ Initial solution 1. pH = 3.141 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 527 + Specific Conductance (µS/cm, 150°C) = 483 Density (g/cm³) = 0.96161 Volume (L) = 1.14500 - Viscosity (mPa s) = 0.19921 + Viscosity (mPa s) = 0.20572 Activity of water = 0.967 Ionic strength (mol/kgw) = 7.706e-04 Mass of water (kg) = 1.000e+00 @@ -34505,10 +34505,10 @@ CO2(g) 2.61 0.19 -2.43 1.000e+01 1.784e+01 7.842e+00 pH = 3.147 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 524 + Specific Conductance (µS/cm, 150°C) = 483 Density (g/cm³) = 0.96164 Volume (L) = 1.12458 - Viscosity (mPa s) = 0.19951 + Viscosity (mPa s) = 0.20562 Activity of water = 0.968 Ionic strength (mol/kgw) = 7.578e-04 Mass of water (kg) = 9.882e-01 @@ -34586,10 +34586,10 @@ Initial solution 1. pH = 3.135 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 532 + Specific Conductance (µS/cm, 150°C) = 488 Density (g/cm³) = 0.96275 Volume (L) = 1.14514 - Viscosity (mPa s) = 0.19968 + Viscosity (mPa s) = 0.20633 Activity of water = 0.966 Ionic strength (mol/kgw) = 7.806e-04 Mass of water (kg) = 1.000e+00 @@ -34671,10 +34671,10 @@ CO2(g) 2.63 0.19 -2.44 1.000e+01 1.774e+01 7.740e+00 pH = 3.142 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 529 + Specific Conductance (µS/cm, 150°C) = 487 Density (g/cm³) = 0.96276 Volume (L) = 1.12422 - Viscosity (mPa s) = 0.19998 + Viscosity (mPa s) = 0.20622 Activity of water = 0.968 Ionic strength (mol/kgw) = 7.676e-04 Mass of water (kg) = 9.879e-01 @@ -34752,10 +34752,10 @@ Initial solution 1. pH = 3.130 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 538 + Specific Conductance (µS/cm, 150°C) = 492 Density (g/cm³) = 0.96388 Volume (L) = 1.14525 - Viscosity (mPa s) = 0.20014 + Viscosity (mPa s) = 0.20693 Activity of water = 0.966 Ionic strength (mol/kgw) = 7.904e-04 Mass of water (kg) = 1.000e+00 @@ -34837,10 +34837,10 @@ CO2(g) 2.64 0.20 -2.45 1.000e+01 1.764e+01 7.641e+00 pH = 3.137 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 535 + Specific Conductance (µS/cm, 150°C) = 492 Density (g/cm³) = 0.96389 Volume (L) = 1.12387 - Viscosity (mPa s) = 0.20045 + Viscosity (mPa s) = 0.20682 Activity of water = 0.968 Ionic strength (mol/kgw) = 7.774e-04 Mass of water (kg) = 9.876e-01 @@ -34918,10 +34918,10 @@ Initial solution 1. pH = 3.125 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 543 + Specific Conductance (µS/cm, 150°C) = 496 Density (g/cm³) = 0.96500 Volume (L) = 1.14537 - Viscosity (mPa s) = 0.20061 + Viscosity (mPa s) = 0.20753 Activity of water = 0.965 Ionic strength (mol/kgw) = 8.002e-04 Mass of water (kg) = 1.000e+00 @@ -35003,10 +35003,10 @@ CO2(g) 2.66 0.20 -2.46 1.000e+01 1.755e+01 7.547e+00 pH = 3.131 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 540 + Specific Conductance (µS/cm, 150°C) = 496 Density (g/cm³) = 0.96501 Volume (L) = 1.12353 - Viscosity (mPa s) = 0.20092 + Viscosity (mPa s) = 0.20741 Activity of water = 0.967 Ionic strength (mol/kgw) = 7.872e-04 Mass of water (kg) = 9.873e-01 @@ -35084,10 +35084,10 @@ Initial solution 1. pH = 3.120 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 548 + Specific Conductance (µS/cm, 150°C) = 500 Density (g/cm³) = 0.96612 Volume (L) = 1.14544 - Viscosity (mPa s) = 0.20107 + Viscosity (mPa s) = 0.20813 Activity of water = 0.965 Ionic strength (mol/kgw) = 8.099e-04 Mass of water (kg) = 1.000e+00 @@ -35169,10 +35169,10 @@ CO2(g) 2.67 0.20 -2.47 1.000e+01 1.746e+01 7.455e+00 pH = 3.126 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 546 + Specific Conductance (µS/cm, 150°C) = 500 Density (g/cm³) = 0.96612 Volume (L) = 1.12321 - Viscosity (mPa s) = 0.20139 + Viscosity (mPa s) = 0.20801 Activity of water = 0.967 Ionic strength (mol/kgw) = 7.968e-04 Mass of water (kg) = 9.870e-01 @@ -35250,10 +35250,10 @@ Initial solution 1. pH = 3.115 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 553 + Specific Conductance (µS/cm, 150°C) = 504 Density (g/cm³) = 0.96723 Volume (L) = 1.14553 - Viscosity (mPa s) = 0.20153 + Viscosity (mPa s) = 0.20873 Activity of water = 0.965 Ionic strength (mol/kgw) = 8.196e-04 Mass of water (kg) = 1.000e+00 @@ -35335,10 +35335,10 @@ CO2(g) 2.68 0.21 -2.48 1.000e+01 1.737e+01 7.370e+00 pH = 3.121 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 551 + Specific Conductance (µS/cm, 150°C) = 504 Density (g/cm³) = 0.96721 Volume (L) = 1.12290 - Viscosity (mPa s) = 0.20185 + Viscosity (mPa s) = 0.20859 Activity of water = 0.967 Ionic strength (mol/kgw) = 8.064e-04 Mass of water (kg) = 9.867e-01 @@ -35416,10 +35416,10 @@ Initial solution 1. pH = 3.110 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 558 + Specific Conductance (µS/cm, 150°C) = 507 Density (g/cm³) = 0.96834 Volume (L) = 1.14562 - Viscosity (mPa s) = 0.20199 + Viscosity (mPa s) = 0.20933 Activity of water = 0.964 Ionic strength (mol/kgw) = 8.292e-04 Mass of water (kg) = 1.000e+00 @@ -35501,10 +35501,10 @@ CO2(g) 2.69 0.21 -2.48 1.000e+01 1.729e+01 7.286e+00 pH = 3.116 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 556 + Specific Conductance (µS/cm, 150°C) = 508 Density (g/cm³) = 0.96831 Volume (L) = 1.12259 - Viscosity (mPa s) = 0.20232 + Viscosity (mPa s) = 0.20919 Activity of water = 0.966 Ionic strength (mol/kgw) = 8.160e-04 Mass of water (kg) = 9.865e-01 @@ -35582,10 +35582,10 @@ Initial solution 1. pH = 3.105 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 563 + Specific Conductance (µS/cm, 150°C) = 511 Density (g/cm³) = 0.96943 Volume (L) = 1.14568 - Viscosity (mPa s) = 0.20245 + Viscosity (mPa s) = 0.20992 Activity of water = 0.964 Ionic strength (mol/kgw) = 8.388e-04 Mass of water (kg) = 1.000e+00 @@ -35667,10 +35667,10 @@ CO2(g) 2.71 0.21 -2.49 1.000e+01 1.720e+01 7.205e+00 pH = 3.112 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 561 + Specific Conductance (µS/cm, 150°C) = 512 Density (g/cm³) = 0.96940 Volume (L) = 1.12230 - Viscosity (mPa s) = 0.20278 + Viscosity (mPa s) = 0.20977 Activity of water = 0.966 Ionic strength (mol/kgw) = 8.255e-04 Mass of water (kg) = 9.863e-01 @@ -35748,10 +35748,10 @@ Initial solution 1. pH = 3.101 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 568 + Specific Conductance (µS/cm, 150°C) = 515 Density (g/cm³) = 0.97052 Volume (L) = 1.14571 - Viscosity (mPa s) = 0.20291 + Viscosity (mPa s) = 0.21051 Activity of water = 0.964 Ionic strength (mol/kgw) = 8.483e-04 Mass of water (kg) = 1.000e+00 @@ -35833,10 +35833,10 @@ CO2(g) 2.72 0.22 -2.50 1.000e+01 1.713e+01 7.127e+00 pH = 3.107 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 566 + Specific Conductance (µS/cm, 150°C) = 516 Density (g/cm³) = 0.97048 Volume (L) = 1.12202 - Viscosity (mPa s) = 0.20325 + Viscosity (mPa s) = 0.21036 Activity of water = 0.966 Ionic strength (mol/kgw) = 8.349e-04 Mass of water (kg) = 9.861e-01 @@ -35914,10 +35914,10 @@ Initial solution 1. pH = 3.096 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 573 + Specific Conductance (µS/cm, 150°C) = 519 Density (g/cm³) = 0.97162 Volume (L) = 1.14581 - Viscosity (mPa s) = 0.20337 + Viscosity (mPa s) = 0.21111 Activity of water = 0.963 Ionic strength (mol/kgw) = 8.578e-04 Mass of water (kg) = 1.000e+00 @@ -35999,10 +35999,10 @@ CO2(g) 2.73 0.22 -2.51 1.000e+01 1.705e+01 7.054e+00 pH = 3.102 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 571 + Specific Conductance (µS/cm, 150°C) = 520 Density (g/cm³) = 0.97155 Volume (L) = 1.12175 - Viscosity (mPa s) = 0.20371 + Viscosity (mPa s) = 0.21094 Activity of water = 0.965 Ionic strength (mol/kgw) = 8.442e-04 Mass of water (kg) = 9.859e-01 @@ -36080,10 +36080,10 @@ Initial solution 1. pH = 3.092 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 578 + Specific Conductance (µS/cm, 150°C) = 522 Density (g/cm³) = 0.97269 Volume (L) = 1.14582 - Viscosity (mPa s) = 0.20383 + Viscosity (mPa s) = 0.21170 Activity of water = 0.963 Ionic strength (mol/kgw) = 8.672e-04 Mass of water (kg) = 1.000e+00 @@ -36165,10 +36165,10 @@ CO2(g) 2.74 0.22 -2.52 1.000e+01 1.698e+01 6.979e+00 pH = 3.097 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 577 + Specific Conductance (µS/cm, 150°C) = 524 Density (g/cm³) = 0.97263 Volume (L) = 1.12149 - Viscosity (mPa s) = 0.20417 + Viscosity (mPa s) = 0.21153 Activity of water = 0.965 Ionic strength (mol/kgw) = 8.537e-04 Mass of water (kg) = 9.857e-01 @@ -36246,10 +36246,10 @@ Initial solution 1. pH = 3.087 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 583 + Specific Conductance (µS/cm, 150°C) = 526 Density (g/cm³) = 0.97377 Volume (L) = 1.14589 - Viscosity (mPa s) = 0.20429 + Viscosity (mPa s) = 0.21229 Activity of water = 0.963 Ionic strength (mol/kgw) = 8.766e-04 Mass of water (kg) = 1.000e+00 @@ -36331,10 +36331,10 @@ CO2(g) 2.76 0.22 -2.53 1.000e+01 1.691e+01 6.911e+00 pH = 3.093 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 581 + Specific Conductance (µS/cm, 150°C) = 528 Density (g/cm³) = 0.97368 Volume (L) = 1.12124 - Viscosity (mPa s) = 0.20463 + Viscosity (mPa s) = 0.21211 Activity of water = 0.965 Ionic strength (mol/kgw) = 8.629e-04 Mass of water (kg) = 9.855e-01 @@ -36412,10 +36412,10 @@ Initial solution 1. pH = 3.083 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 588 + Specific Conductance (µS/cm, 150°C) = 530 Density (g/cm³) = 0.97484 Volume (L) = 1.14590 - Viscosity (mPa s) = 0.20474 + Viscosity (mPa s) = 0.21288 Activity of water = 0.963 Ionic strength (mol/kgw) = 8.859e-04 Mass of water (kg) = 1.000e+00 @@ -36497,10 +36497,10 @@ CO2(g) 2.77 0.23 -2.54 1.000e+01 1.684e+01 6.842e+00 pH = 3.089 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 586 + Specific Conductance (µS/cm, 150°C) = 532 Density (g/cm³) = 0.97474 Volume (L) = 1.12100 - Viscosity (mPa s) = 0.20509 + Viscosity (mPa s) = 0.21269 Activity of water = 0.965 Ionic strength (mol/kgw) = 8.722e-04 Mass of water (kg) = 9.853e-01 @@ -36578,10 +36578,10 @@ Initial solution 1. pH = 3.078 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 593 + Specific Conductance (µS/cm, 150°C) = 533 Density (g/cm³) = 0.97590 Volume (L) = 1.14592 - Viscosity (mPa s) = 0.20520 + Viscosity (mPa s) = 0.21346 Activity of water = 0.962 Ionic strength (mol/kgw) = 8.952e-04 Mass of water (kg) = 1.000e+00 @@ -36663,10 +36663,10 @@ CO2(g) 2.78 0.23 -2.55 1.000e+01 1.678e+01 6.777e+00 pH = 3.084 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 591 + Specific Conductance (µS/cm, 150°C) = 536 Density (g/cm³) = 0.97579 Volume (L) = 1.12077 - Viscosity (mPa s) = 0.20554 + Viscosity (mPa s) = 0.21327 Activity of water = 0.964 Ionic strength (mol/kgw) = 8.814e-04 Mass of water (kg) = 9.852e-01 @@ -36744,10 +36744,10 @@ Initial solution 1. pH = 3.074 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 598 + Specific Conductance (µS/cm, 150°C) = 537 Density (g/cm³) = 0.97697 Volume (L) = 1.14598 - Viscosity (mPa s) = 0.20565 + Viscosity (mPa s) = 0.21405 Activity of water = 0.962 Ionic strength (mol/kgw) = 9.046e-04 Mass of water (kg) = 1.000e+00 @@ -36829,10 +36829,10 @@ CO2(g) 2.79 0.23 -2.56 1.000e+01 1.672e+01 6.715e+00 pH = 3.080 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 596 + Specific Conductance (µS/cm, 150°C) = 539 Density (g/cm³) = 0.97683 Volume (L) = 1.12054 - Viscosity (mPa s) = 0.20600 + Viscosity (mPa s) = 0.21384 Activity of water = 0.964 Ionic strength (mol/kgw) = 8.906e-04 Mass of water (kg) = 9.850e-01 @@ -36910,10 +36910,10 @@ Initial solution 1. pH = 3.070 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 602 + Specific Conductance (µS/cm, 150°C) = 540 Density (g/cm³) = 0.97802 Volume (L) = 1.14598 - Viscosity (mPa s) = 0.20611 + Viscosity (mPa s) = 0.21464 Activity of water = 0.962 Ionic strength (mol/kgw) = 9.137e-04 Mass of water (kg) = 1.000e+00 @@ -36995,10 +36995,10 @@ CO2(g) 2.80 0.24 -2.57 1.000e+01 1.665e+01 6.652e+00 pH = 3.076 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 601 + Specific Conductance (µS/cm, 150°C) = 543 Density (g/cm³) = 0.97788 Volume (L) = 1.12033 - Viscosity (mPa s) = 0.20645 + Viscosity (mPa s) = 0.21442 Activity of water = 0.964 Ionic strength (mol/kgw) = 8.998e-04 Mass of water (kg) = 9.849e-01 diff --git a/mytest/CO2_sp_IS_101.sel b/mytest/CO2_sp_IS_101.sel index 89b7769a6..05f302166 100644 --- a/mytest/CO2_sp_IS_101.sel +++ b/mytest/CO2_sp_IS_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 diff --git a/mytest/CaCl2_P_T_101.sel b/mytest/CaCl2_P_T_101.sel index 03b1d2e07..c692122d6 100644 --- a/mytest/CaCl2_P_T_101.sel +++ b/mytest/CaCl2_P_T_101.sel @@ -1,385 +1,385 @@ Mu SC Viscosity - 0.000000100644 0.0547821166 0.8900243335 - 0.012000038486 511.2752739420 1.7954124786 - 0.597000060806 19230.0810477226 1.8791350238 - 1.539000073059 44241.5339899925 2.0051805280 - 2.127000077892 58008.8638669409 2.0872437137 - 3.063000083521 77278.5784776640 2.2306816802 - 4.638000090105 102176.6699560635 2.5334757375 - 6.252000095429 117404.0881629061 2.9719948641 - 8.028000101328 122748.4939902197 3.6783570858 - 9.843000108583 118678.8230818334 4.7330526918 - 11.616000117811 109182.5495143339 6.1852507475 - 12.870000126115 100966.1940092307 7.5190983793 - 13.449000130560 97028.8272361179 8.2326024353 - 14.406000138893 90525.0006275185 9.5602232553 - 15.756000153090 81651.9111417888 11.7765792282 - 16.425000161366 77471.0529160726 13.0372469518 - 17.349000174378 71983.7175167104 14.9700096271 - 0.012000114587 976.0437168895 0.8923541755 - 0.066000132535 4861.4164793775 0.8988999994 - 0.072000133853 5269.2041438192 0.8995708843 - 0.135000144961 9390.4207758784 0.9063776919 - 0.141000145845 9770.7448648886 0.9070104708 - 0.150000147132 10337.9873142317 0.9079560551 - 0.177000150750 12018.2369792404 0.9107703443 - 0.177000150750 12018.2369792404 0.9107703443 - 0.207000154421 13851.5785651215 0.9138648670 - 0.216000155463 14395.3785378427 0.9147876718 - 0.246000158772 16189.2640224455 0.9178480416 - 0.252000159407 16544.7650368236 0.9184575048 - 0.294000163629 19005.2762640312 0.9227029937 - 0.300000164204 19352.9944844329 0.9233068203 - 0.300000164204 19352.9944844329 0.9233068203 - 0.396000172657 24803.0538210909 0.9328969596 - 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b/mytest/CalPortDiff.out index c6bf82825..79b78068c 100644 --- a/mytest/CalPortDiff.out +++ b/mytest/CalPortDiff.out @@ -137,7 +137,7 @@ Initial solution 0. Specific Conductance (µS/cm, 16°C) = 574 Density (g/cm³) = 0.99937 Volume (L) = 1.00119 - Viscosity (mPa s) = 1.11252 + Viscosity (mPa s) = 1.11291 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.568e-03 Mass of water (kg) = 1.000e+00 @@ -196,7 +196,6 @@ Na 4.352e-03 Na+ 4.320e-03 3.934e-03 -2.364 -2.405 -0.041 -1.93 NaSO4- 2.019e-05 1.841e-05 -4.695 -4.735 -0.040 -17.47 NaHCO3 1.162e-05 1.167e-05 -4.935 -4.933 0.002 31.81 - NaOH 5.985e-20 5.997e-20 -19.223 -19.222 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.196 -43.195 0.001 29.61 S(6) 5.208e-04 @@ -257,7 +256,7 @@ Initial solution 1. Specific Conductance (µS/cm, 16°C) = 1108 Density (g/cm³) = 0.99989 Volume (L) = 1.00138 - Viscosity (mPa s) = 1.11563 + Viscosity (mPa s) = 1.11578 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.581e-02 Mass of water (kg) = 1.000e+00 @@ -316,7 +315,6 @@ Na 1.562e-02 Na+ 1.551e-02 1.373e-02 -1.810 -1.862 -0.053 -1.88 NaHCO3 1.117e-04 1.125e-04 -3.952 -3.949 0.003 31.81 NaSO4- 2.477e-06 2.200e-06 -5.606 -5.658 -0.052 -15.35 - NaOH 2.133e-18 2.141e-18 -17.671 -17.669 0.002 (0) O(0) 1.393e-39 O2 6.963e-40 6.988e-40 -39.157 -39.156 0.002 29.61 S(6) 2.003e-05 @@ -385,10 +383,10 @@ Initial solution 2. pH = 13.570 pe = 4.000 - Specific Conductance (µS/cm, 16°C) = 60268 + Specific Conductance (µS/cm, 16°C) = 60266 Density (g/cm³) = 1.02047 Volume (L) = 1.00347 - Viscosity (mPa s) = 1.14175 + Viscosity (mPa s) = 1.14208 Activity of water = 0.986 Ionic strength (mol/kgw) = 4.130e-01 Mass of water (kg) = 1.000e+00 @@ -453,7 +451,6 @@ Na 1.405e-01 Na+ 1.388e-01 1.006e-01 -0.858 -0.998 -0.140 -1.19 NaSO4- 1.710e-03 1.211e-03 -2.767 -2.917 -0.150 2.81 NaHCO3 3.711e-09 4.488e-09 -8.431 -8.348 0.083 31.81 - NaOH 1.653e-12 1.818e-12 -11.782 -11.740 0.041 (0) O(0) 2.358e-19 O2 1.179e-19 1.297e-19 -18.928 -18.887 0.041 29.61 S(6) 8.847e-03 @@ -548,11 +545,11 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 7.490 Charge balance - pe = 11.313 Adjusted to redox equilibrium + pe = 11.307 Adjusted to redox equilibrium Specific Conductance (µS/cm, 16°C) = 574 Density (g/cm³) = 0.99937 Volume (L) = 1.00119 - Viscosity (mPa s) = 1.11252 + Viscosity (mPa s) = 1.11291 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.568e-03 Mass of water (kg) = 1.000e+00 @@ -574,7 +571,7 @@ Kinetics 1. H+ 3.520e-08 3.236e-08 -7.453 -7.490 -0.037 0.00 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.04 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -128.221 -128.220 0.001 34.63 + CH4 0.000e+00 0.000e+00 -128.177 -128.176 0.001 34.63 C(4) 5.275e-03 HCO3- 4.861e-03 4.434e-03 -2.313 -2.353 -0.040 23.75 CO2 3.691e-04 3.695e-04 -3.433 -3.432 0.001 33.98 @@ -597,7 +594,7 @@ Cl 1.270e-03 Cl- 1.270e-03 1.154e-03 -2.896 -2.938 -0.042 17.78 HCl 1.348e-11 1.360e-11 -10.870 -10.867 0.004 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.717 -40.716 0.001 28.62 + H2 0.000e+00 0.000e+00 -40.706 -40.705 0.001 28.62 K 1.024e-04 K+ 1.017e-04 9.237e-05 -3.993 -4.034 -0.042 8.73 KSO4- 4.677e-07 4.281e-07 -6.330 -6.368 -0.038 13.26 @@ -613,14 +610,13 @@ Na 4.352e-03 Na+ 4.320e-03 3.934e-03 -2.364 -2.405 -0.041 -1.93 NaSO4- 2.019e-05 1.841e-05 -4.695 -4.735 -0.040 -17.47 NaHCO3 1.162e-05 1.167e-05 -4.935 -4.933 0.002 31.81 - NaOH 5.985e-20 5.997e-20 -19.223 -19.222 0.001 (0) -O(0) 2.272e-14 - O2 1.136e-14 1.138e-14 -13.945 -13.944 0.001 29.61 +O(0) 2.160e-14 + O2 1.080e-14 1.082e-14 -13.967 -13.966 0.001 29.61 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -126.353 -126.395 -0.042 20.15 - H2S 0.000e+00 0.000e+00 -126.817 -126.816 0.001 33.76 - S-2 0.000e+00 0.000e+00 -131.937 -132.099 -0.162 (0) - (H2S)2 0.000e+00 0.000e+00 -255.016 -255.015 0.001 30.44 + HS- 0.000e+00 0.000e+00 -126.309 -126.351 -0.042 20.15 + H2S 0.000e+00 0.000e+00 -126.773 -126.772 0.001 33.76 + S-2 0.000e+00 0.000e+00 -131.894 -132.055 -0.162 (0) + (H2S)2 0.000e+00 0.000e+00 -254.928 -254.927 0.001 30.44 S(6) 5.208e-04 SO4-2 4.549e-04 3.133e-04 -3.342 -3.504 -0.162 16.24 CaSO4 2.985e-05 2.991e-05 -4.525 -4.524 0.001 7.11 @@ -639,21 +635,21 @@ S(6) 5.208e-04 Aragonite -0.24 -8.52 -8.28 CaCO3 Arcanite -9.56 -11.57 -2.01 K2SO4 Calcite -0.09 -8.52 -8.43 CaCO3 - CH4(g) -125.51 -128.22 -2.71 CH4 + CH4(g) -125.47 -128.18 -2.71 CH4 CO2(g) -2.08 -3.43 -1.35 CO2 Dolomite -0.48 -17.43 -16.95 CaMg(CO3)2 Epsomite -5.34 -7.13 -1.79 MgSO4:7H2O Gypsum -2.16 -6.74 -4.59 CaSO4:2H2O - H2(g) -37.64 -40.72 -3.08 H2 + H2(g) -37.63 -40.70 -3.08 H2 H2O(g) -1.74 -0.00 1.74 H2O - H2S(g) -125.93 -133.88 -7.96 H2S + H2S(g) -125.88 -133.84 -7.96 H2S Halite -6.91 -5.34 1.56 NaCl Hexahydrite -5.55 -7.13 -1.58 MgSO4:6H2O Kieserite -5.89 -7.13 -1.24 MgSO4:H2O Mirabilite -6.66 -8.32 -1.66 Na2SO4:10H2O - O2(g) -11.12 -13.94 -2.82 O2 + O2(g) -11.14 -13.97 -2.82 O2 Portlandite -11.77 11.74 23.51 Ca(OH)2 - Sulfur -94.31 -89.21 5.10 S + Sulfur -94.28 -89.18 5.10 S Sylvite -7.83 -6.97 0.85 KCl Thenardite -8.06 -8.31 -0.26 Na2SO4 @@ -710,7 +706,7 @@ Using solution 0. Specific Conductance (µS/cm, 16°C) = 574 Density (g/cm³) = 0.99937 Volume (L) = 1.00119 - Viscosity (mPa s) = 1.11252 + Viscosity (mPa s) = 1.11291 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.568e-03 Mass of water (kg) = 1.000e+00 @@ -771,9 +767,8 @@ Na 4.352e-03 Na+ 4.320e-03 3.934e-03 -2.364 -2.405 -0.041 -1.93 NaSO4- 2.019e-05 1.841e-05 -4.695 -4.735 -0.040 -17.47 NaHCO3 1.162e-05 1.167e-05 -4.935 -4.933 0.002 31.81 - NaOH 5.985e-20 5.997e-20 -19.223 -19.222 0.001 (0) O(0) 1.845e-14 - O2 9.224e-15 9.242e-15 -14.035 -14.034 0.001 29.61 + O2 9.225e-15 9.243e-15 -14.035 -14.034 0.001 29.61 S(-2) 0.000e+00 HS- 0.000e+00 0.000e+00 -126.172 -126.214 -0.042 20.15 H2S 0.000e+00 0.000e+00 -126.636 -126.635 0.001 33.76 @@ -851,7 +846,7 @@ Kinetics 1. Specific Conductance (µS/cm, 16°C) = 1108 Density (g/cm³) = 0.99989 Volume (L) = 1.00138 - Viscosity (mPa s) = 1.11563 + Viscosity (mPa s) = 1.11578 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.581e-02 Mass of water (kg) = 1.000e+00 @@ -873,7 +868,7 @@ Kinetics 1. H+ 3.517e-09 3.162e-09 -8.454 -8.500 -0.046 0.00 H2O 5.551e+01 9.995e-01 1.744 -0.000 0.000 18.04 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -128.501 -128.500 0.002 34.63 + CH4 0.000e+00 0.000e+00 -128.502 -128.500 0.002 34.63 C(4) 1.426e-02 HCO3- 1.380e-02 1.225e-02 -1.860 -1.912 -0.052 23.79 CO3-2 2.385e-04 1.482e-04 -3.622 -3.829 -0.207 -4.74 @@ -912,14 +907,13 @@ Na 1.562e-02 Na+ 1.551e-02 1.373e-02 -1.810 -1.862 -0.053 -1.88 NaHCO3 1.117e-04 1.125e-04 -3.952 -3.949 0.003 31.81 NaSO4- 2.477e-06 2.200e-06 -5.606 -5.658 -0.052 -15.35 - NaOH 2.133e-18 2.141e-18 -17.671 -17.669 0.002 (0) -O(0) 1.626e-14 - O2 8.130e-15 8.160e-15 -14.090 -14.088 0.002 29.61 +O(0) 1.627e-14 + O2 8.133e-15 8.163e-15 -14.090 -14.088 0.002 29.61 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -128.526 -128.581 -0.055 20.18 + HS- 0.000e+00 0.000e+00 -128.526 -128.582 -0.055 20.18 H2S 0.000e+00 0.000e+00 -130.014 -130.012 0.002 33.76 - S-2 0.000e+00 0.000e+00 -133.066 -133.275 -0.210 (0) - (H2S)2 0.000e+00 0.000e+00 -261.409 -261.408 0.002 30.44 + S-2 0.000e+00 0.000e+00 -133.066 -133.276 -0.210 (0) + (H2S)2 0.000e+00 0.000e+00 -261.410 -261.408 0.002 30.44 S(6) 2.003e-05 SO4-2 1.740e-05 1.072e-05 -4.759 -4.970 -0.210 17.30 NaSO4- 2.477e-06 2.200e-06 -5.606 -5.658 -0.052 -15.35 @@ -1000,10 +994,10 @@ Kinetics 2. pH = 13.570 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 16°C) = 60268 + Specific Conductance (µS/cm, 16°C) = 60266 Density (g/cm³) = 1.02047 Volume (L) = 1.00347 - Viscosity (mPa s) = 1.14175 + Viscosity (mPa s) = 1.14208 Activity of water = 0.986 Ionic strength (mol/kgw) = 4.130e-01 Mass of water (kg) = 1.000e+00 @@ -1070,7 +1064,6 @@ Na 1.405e-01 Na+ 1.388e-01 1.006e-01 -0.858 -0.998 -0.140 -1.19 NaSO4- 1.710e-03 1.211e-03 -2.767 -2.917 -0.150 2.81 NaHCO3 3.711e-09 4.488e-09 -8.431 -8.348 0.083 31.81 - NaOH 1.653e-12 1.818e-12 -11.782 -11.740 0.041 (0) O(0) 2.358e-19 O2 1.179e-19 1.297e-19 -18.928 -18.887 0.041 29.61 S(-2) 0.000e+00 diff --git a/mytest/CalPortDiff_101.sel b/mytest/CalPortDiff_101.sel index eb1255dae..8f56c71a7 100644 --- a/mytest/CalPortDiff_101.sel +++ b/mytest/CalPortDiff_101.sel @@ -1,23 +1,23 @@ Mu SC - 0.008568488296 574.5327304635 - 0.015809661090 1108.6090158693 - 0.412990892353 60268.9128362952 - 0.008568488339 574.5327326230 - 0.008568488296 574.5327305664 - 0.015809661090 1108.6090158678 - 0.412990892343 60268.9128363981 - 0.008568488297 574.5327305634 - 0.099623571166 12667.9502840450 - 0.318807491832 43356.0712245283 - 0.008568488297 574.5327305634 - 0.102554933257 13251.6652718785 - 0.312443266289 42296.1843037271 - 0.008568488297 574.5327305634 - 0.102520204878 13305.9904356648 - 0.311802092994 42271.1696055186 - 0.008568488297 574.5327305634 - 0.102345700371 13333.1717944409 - 0.311459267865 42296.8609365669 - 0.008568488297 574.5327305634 - 0.102183357120 13360.2909291914 - 0.311135406616 42321.9195728695 + 0.008568488296 574.4282317698 + 0.015809661090 1108.5475918474 + 0.412990892354 60266.9731232164 + 0.008568488339 574.4282339381 + 0.008568488296 574.4282318746 + 0.015809661090 1108.5475918460 + 0.412990892344 60266.9731233209 + 0.008568488297 574.4282318715 + 0.099623571166 12667.9224006807 + 0.318807491833 43350.3259442563 + 0.008568488297 574.4282318715 + 0.102554933257 13251.6845442799 + 0.312443266289 42290.3919364999 + 0.008568488297 574.4282318715 + 0.102520204878 13306.0235748781 + 0.311802092994 42265.4359009762 + 0.008568488297 574.4282318715 + 0.102345700371 13333.2165716402 + 0.311459267865 42291.1883015474 + 0.008568488297 574.4282318715 + 0.102183357120 13360.3469051065 + 0.311135406616 42316.3050116488 diff --git a/mytest/Carnallite.out b/mytest/Carnallite.out index 8794b716e..3be41b612 100644 --- a/mytest/Carnallite.out +++ b/mytest/Carnallite.out @@ -1080,7 +1080,7 @@ Carnallite 0.00 4.25 4.25 1.000e+01 1.220e+01 2.201e+00 Specific Conductance (µS/cm, 0°C) = 38602 Density (g/cm³) = 1.34566 Volume (L) = 0.90585 - Viscosity (mPa s) = 32.56524 + Viscosity (mPa s) = 32.56525 Activity of water = 0.236 Ionic strength (mol/kgw) = 1.889e+01 Mass of water (kg) = 7.620e-01 @@ -2250,7 +2250,7 @@ Carnallite 0.00 4.25 4.25 1.000e+01 1.477e+01 4.772e+00 Specific Conductance (µS/cm, 0°C) = 61067 Density (g/cm³) = 1.28398 Volume (L) = 0.54407 - Viscosity (mPa s) = 14.17203 + Viscosity (mPa s) = 14.17204 Activity of water = 0.460 Ionic strength (mol/kgw) = 1.386e+01 Mass of water (kg) = 4.842e-01 @@ -2430,7 +2430,7 @@ Carnallite 0.00 4.25 4.25 1.000e+01 1.512e+01 5.122e+00 Specific Conductance (µS/cm, 0°C) = 68085 Density (g/cm³) = 1.26893 Volume (L) = 0.49732 - Viscosity (mPa s) = 11.61702 + Viscosity (mPa s) = 11.61703 Activity of water = 0.515 Ionic strength (mol/kgw) = 1.279e+01 Mass of water (kg) = 4.463e-01 @@ -2700,7 +2700,7 @@ Carnallite 0.00 4.25 4.25 1.000e+01 1.552e+01 5.520e+00 Specific Conductance (µS/cm, 0°C) = 80982 Density (g/cm³) = 1.25558 Volume (L) = 0.45020 - Viscosity (mPa s) = 9.03978 + Viscosity (mPa s) = 9.03979 Activity of water = 0.577 Ionic strength (mol/kgw) = 1.170e+01 Mass of water (kg) = 4.033e-01 @@ -2790,7 +2790,7 @@ Carnallite 0.00 4.25 4.25 1.000e+01 1.562e+01 5.618e+00 Specific Conductance (µS/cm, 0°C) = 85890 Density (g/cm³) = 1.25479 Volume (L) = 0.44055 - Viscosity (mPa s) = 8.49142 + Viscosity (mPa s) = 8.49143 Activity of water = 0.589 Ionic strength (mol/kgw) = 1.152e+01 Mass of water (kg) = 3.927e-01 diff --git a/mytest/Carnallite_101.sel b/mytest/Carnallite_101.sel index 4a574557c..3882b83b0 100644 --- a/mytest/Carnallite_101.sel +++ b/mytest/Carnallite_101.sel @@ -1,92 +1,92 @@ Mu SC - 20.997696001322 61827.3284588888 - 20.845003389747 32416.4421240833 - 20.688919197878 32866.4861284606 - 20.525624646891 33344.8908710158 - 20.354609516949 33854.3408633234 - 20.175314615001 34397.8592175161 - 19.987125864366 34978.8607025443 - 19.789367561646 35601.2145951862 - 19.581294679630 36269.3193634224 - 19.362084110232 36988.1915676159 - 19.130824669516 37763.5720653949 - 18.886505857015 38602.0526589138 - 18.628005253281 39511.2280439254 - 18.354074747496 40499.8764101355 - 18.063325963482 41578.1746721568 - 17.754216074953 42757.9518487026 - 17.425036333854 44052.9831304520 - 17.073908404932 45479.3202614299 - 16.698798976366 47055.6447642602 - 16.297574358581 48803.5983391161 - 15.868140330269 50747.9997360458 - 15.408761719271 52916.7438614223 - 14.918755832842 55340.0047679024 - 14.399929989687 58048.0846398307 - 13.859327871393 61067.1098288819 - 13.313504848535 64412.6980031188 - 12.791997555680 68085.4054294020 - 12.332709209043 72075.5192205514 - 11.965427767556 76375.4614804959 - 11.698254051821 80982.7326052257 - 11.521309417128 85890.6943387626 - 20.852636823428 77151.5733056739 - 20.697198082563 78189.5016258934 - 20.534647318045 79292.2221767536 - 20.364494925271 80465.7820206886 - 20.186207728725 81716.9734425952 - 19.999204946608 83053.4459568121 - 19.802853828117 84483.8372402719 - 19.596465506528 86017.9262544735 - 19.379290856074 87666.8120173781 - 19.150517684728 89443.1213907435 - 18.909269602828 91361.2496126343 - 18.654608230698 93437.6312282601 - 18.385541894342 95691.0517391677 - 18.101045122699 98142.9713159216 - 17.800096061005 100817.8607703591 - 17.481745716307 103743.4903189954 - 17.145238938873 106951.0941588913 - 16.790220935724 110475.2469602072 - 16.417078776373 114353.1953257289 - 16.027479755634 118623.2407233469 - 15.625152803765 123321.6818215797 - 15.216840295605 128478.0296304830 - 14.813052717547 134109.1049594381 - 14.427800449871 140214.4601943362 - 14.076437635421 146776.8228988483 - 13.771946039205 153768.8770240276 - 13.521778041710 161162.0876467492 - 13.327268502028 168931.4305217007 - 13.185363309387 177054.6716583246 - 13.090958145293 185509.1461821848 - 20.923061498664 151734.0499496082 - 20.772524957615 153640.6429455645 - 20.615533250088 155661.9978675555 - 20.451717358720 157808.1927166048 - 20.280692590245 160090.4145644172 - 20.102061745918 162521.0903427404 - 19.915420887529 165114.0276761621 - 19.720367748937 167884.5630903071 - 19.516514694962 170849.7110622585 - 19.303507616622 174028.3049197472 - 19.081053254942 177441.1100745223 - 18.848957899245 181110.8865949795 - 18.607181453673 185062.3568446344 - 18.355910545773 189322.0250824210 - 18.095655510676 193917.7690012385 - 17.827371296465 198878.1139058360 - 17.552602120302 204231.0846141404 - 17.273624009162 210002.6136674388 - 16.993565692684 216214.5043028424 - 16.716439893829 222882.2332287274 - 16.447025364038 230013.0408461779 - 16.190553666178 237604.9210358905 - 15.952221038827 245646.9788353016 - 15.736629999897 254121.1749943148 - 15.547343123618 263004.7101098398 - 15.386655665736 272272.3068520923 - 15.255652379920 281897.4088422593 - 15.154445770678 291852.3374107304 - 15.082498340819 302107.5295279745 - 15.038926397589 312630.3384117004 + 20.997696001322 61827.3284040575 + 20.845003389747 32416.4421125592 + 20.688919197878 32866.4861154536 + 20.525624646891 33344.8908562564 + 20.354609516949 33854.3408464793 + 20.175314615001 34397.8591981739 + 19.987125864366 34978.8606801859 + 19.789367561646 35601.2145691557 + 19.581294679630 36269.3193328819 + 19.362084110232 36988.1915314831 + 19.130824669516 37763.5720222566 + 18.886505857015 38602.0526069016 + 18.628005253281 39511.2279805372 + 18.354074747496 40499.8763319727 + 18.063325963482 41578.1745745325 + 17.754216074953 42757.9517250474 + 17.425036333854 44052.9829713937 + 17.073908404932 45479.3200533437 + 16.698798976366 47055.6444869386 + 16.297574358581 48803.5979619558 + 15.868140330269 50747.9992117095 + 15.408761719271 52916.7431152203 + 14.918755832842 55340.0036801468 + 14.399929989687 58048.0830177953 + 13.859327871393 61067.1073678988 + 13.313504848535 64412.6942519291 + 12.791997555680 68085.3998130103 + 12.332709209043 72075.5111939750 + 11.965427767556 76375.4507707355 + 11.698254051821 80982.7193366983 + 11.521309417128 85890.6789519685 + 20.852636823428 77151.5731961629 + 20.697198082563 78189.5015044214 + 20.534647318045 79292.2220413967 + 20.364494925271 80465.7818691189 + 20.186207728725 81716.9732719757 + 19.999204946608 83053.4457636598 + 19.802853828117 84483.8370202766 + 19.596465506528 86017.9260022563 + 19.379290856074 87666.8117261665 + 19.150517684728 89443.1210519297 + 18.909269602828 91361.2492151692 + 18.654608230698 93437.6307578118 + 18.385541894342 95691.0511769451 + 18.101045122699 98142.9706370117 + 17.800096061005 100817.8599413636 + 17.481745716307 103743.4892946587 + 17.145238938873 106951.0928773018 + 16.790220935724 110475.2453360531 + 16.417078776373 114353.1932411214 + 16.027479755634 118623.2380161629 + 15.625152803765 123321.6782727696 + 15.216840295605 128478.0249552346 + 14.813052717547 134109.0988126587 + 14.427800449871 140214.4522047687 + 14.076437635421 146776.8127381654 + 13.771946039205 153768.8644920149 + 13.521778041710 161162.0727317889 + 13.327268502028 168931.4134076923 + 13.185363309387 177054.6526845860 + 13.090958145293 185509.1257836399 + 20.923061498664 151734.0491208175 + 20.772524957615 153640.6420449847 + 20.615533250088 155661.9968855830 + 20.451717358720 157808.1916419509 + 20.280692590245 160090.4133837498 + 20.102061745918 162521.0890402403 + 19.915420887529 165114.0262329691 + 19.720367748937 167884.5614838323 + 19.516514694962 170849.7092653276 + 19.303507616622 174028.3028995388 + 19.081053254942 177441.1077912608 + 18.848957899245 181110.8840003475 + 18.607181453673 185062.3538798843 + 18.355910545773 189322.0216762093 + 18.095655510676 193917.7650672897 + 17.827371296465 198878.1093406961 + 17.552602120302 204231.0792955337 + 17.273624009162 210002.6074540659 + 16.993565692684 216214.4970368599 + 16.716439893829 222882.2247423416 + 16.447025364038 230013.0309734961 + 16.190553666178 237604.9096300237 + 15.952221038827 245646.9657887312 + 15.736629999897 254121.1602584884 + 15.547343123618 263004.6937093081 + 15.386655665736 272272.2888896089 + 15.255652379920 281897.3894942191 + 15.154445770678 291852.3169147387 + 15.082498340819 302107.5081658104 + 15.038926397589 312630.3164908527 diff --git a/mytest/DonnanBug.out b/mytest/DonnanBug.out index 95d4bfa14..8ca10f161 100644 --- a/mytest/DonnanBug.out +++ b/mytest/DonnanBug.out @@ -203,7 +203,7 @@ Su_ ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = -0.883 Adjusted to redox equilibrium + pe = -0.879 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 59616 Density (g/cm³) = 1.02346 Volume (L) = 1.01515 @@ -230,22 +230,21 @@ Su_ Cl 6.667e-01 Cl- 6.667e-01 4.210e-01 -0.176 -0.376 -0.200 18.79 HCl 8.090e-09 1.555e-08 -8.092 -7.808 0.284 (0) -H(0) 8.136e-16 - H2 4.068e-16 4.743e-16 -15.391 -15.324 0.067 28.61 +H(0) 7.984e-16 + H2 3.992e-16 4.654e-16 -15.399 -15.332 0.067 28.61 Na 6.667e-01 Na+ 6.667e-01 4.783e-01 -0.176 -0.320 -0.144 -0.51 - NaOH 3.785e-18 4.413e-18 -17.422 -17.355 0.067 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.819 -61.752 0.067 30.40 + O2 0.000e+00 0.000e+00 -61.802 -61.736 0.067 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.22 -15.32 -3.10 H2 + H2(g) -12.23 -15.33 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -1.01 -1.01 0.00 NaCl:32H2O - O2(g) -58.86 -61.75 -2.89 O2 + O2(g) -58.84 -61.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -313,7 +312,7 @@ Su_ ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.893 Adjusted to redox equilibrium + pe = -0.892 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 106701 Density (g/cm³) = 1.04834 Volume (L) = 1.02822 @@ -340,22 +339,21 @@ Su_ Cl 1.333e+00 Cl- 1.333e+00 7.940e-01 0.125 -0.100 -0.225 19.08 HCl 8.104e-09 2.993e-08 -8.091 -7.524 0.567 (0) -H(0) 7.619e-16 - H2 3.810e-16 5.179e-16 -15.419 -15.286 0.133 28.61 +H(0) 7.598e-16 + H2 3.799e-16 5.164e-16 -15.420 -15.287 0.133 28.61 Na 1.333e+00 Na+ 1.333e+00 1.007e+00 0.125 0.003 -0.122 -0.14 - NaOH 6.542e-18 8.893e-18 -17.184 -17.051 0.133 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.982 -61.849 0.133 30.40 + O2 0.000e+00 0.000e+00 -61.980 -61.846 0.133 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.18 -15.29 -3.10 H2 + H2(g) -12.19 -15.29 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -0.74 -0.74 0.00 NaCl:32H2O - O2(g) -58.96 -61.85 -2.89 O2 + O2(g) -58.95 -61.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -423,7 +421,7 @@ Su_ ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = -0.978 Adjusted to redox equilibrium + pe = -0.899 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -450,22 +448,21 @@ Su_ Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.269e-09 4.450e-08 -8.203 -7.352 0.851 (0) -H(0) 9.913e-16 - H2 4.957e-16 7.856e-16 -15.305 -15.105 0.200 28.61 +H(0) 6.900e-16 + H2 3.450e-16 5.468e-16 -15.462 -15.262 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.829e-18 1.399e-17 -17.054 -16.854 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.432 -62.232 0.200 30.40 + O2 0.000e+00 0.000e+00 -62.117 -61.917 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.00 -15.10 -3.10 H2 + H2(g) -12.16 -15.26 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -0.70 -0.70 0.00 NaCl:32H2O - O2(g) -59.34 -62.23 -2.89 O2 + O2(g) -59.02 -61.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/DonnanBug_101.sel b/mytest/DonnanBug_101.sel index 0d6903e14..56adf930b 100644 --- a/mytest/DonnanBug_101.sel +++ b/mytest/DonnanBug_101.sel @@ -1,6 +1,6 @@ Mu SC 0.000000100645 0.0546914008 0.000000100645 0.0546914008 - 0.666666809863 59616.3266156774 - 1.333333484100 106701.2747793852 - 2.000000155450 145262.4673015859 + 0.666666809863 59616.3262380188 + 1.333333484100 106701.2739029749 + 2.000000155450 145262.4659793576 diff --git a/mytest/Equiv_Conduct.out b/mytest/Equiv_Conduct.out index 7c96da2f2..e3b193712 100644 --- a/mytest/Equiv_Conduct.out +++ b/mytest/Equiv_Conduct.out @@ -7577,10 +7577,10 @@ Initial solution 34. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 184682 + Specific Conductance (µS/cm, 25°C) = 184681 Density (g/cm³) = 1.28785 Volume (L) = 1.12121 - Viscosity (mPa s) = 3.33627 + Viscosity (mPa s) = 3.33628 Activity of water = 0.625 Ionic strength (mol/kgw) = 1.200e+01 Mass of water (kg) = 1.000e+00 @@ -7632,10 +7632,10 @@ Initial solution 35. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 124075 + Specific Conductance (µS/cm, 25°C) = 124074 Density (g/cm³) = 1.38921 Volume (L) = 1.19919 - Viscosity (mPa s) = 7.61336 + Viscosity (mPa s) = 7.61343 Activity of water = 0.379 Ionic strength (mol/kgw) = 1.800e+01 Mass of water (kg) = 1.000e+00 @@ -7732,10 +7732,10 @@ Initial solution 1. pH = 8.147 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 4318 + Specific Conductance (µS/cm, 20°C) = 4316 Density (g/cm³) = 1.00187 Volume (L) = 1.00317 - Viscosity (mPa s) = 1.02359 + Viscosity (mPa s) = 1.02414 Activity of water = 0.998 Ionic strength (mol/kgw) = 6.109e-02 Mass of water (kg) = 1.000e+00 @@ -7793,10 +7793,10 @@ Initial solution 2. pH = 8.073 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 8165 + Specific Conductance (µS/cm, 20°C) = 8155 Density (g/cm³) = 1.00548 Volume (L) = 1.00459 - Viscosity (mPa s) = 1.04400 + Viscosity (mPa s) = 1.04522 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.226e-01 Mass of water (kg) = 1.000e+00 @@ -7854,10 +7854,10 @@ Initial solution 3. pH = 8.024 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 11723 + Specific Conductance (µS/cm, 20°C) = 11701 Density (g/cm³) = 1.00906 Volume (L) = 1.00604 - Viscosity (mPa s) = 1.06384 + Viscosity (mPa s) = 1.06576 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.842e-01 Mass of water (kg) = 1.000e+00 @@ -7915,10 +7915,10 @@ Initial solution 4. pH = 7.987 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 15116 + Specific Conductance (µS/cm, 20°C) = 15078 Density (g/cm³) = 1.01267 Volume (L) = 1.00755 - Viscosity (mPa s) = 1.08359 + Viscosity (mPa s) = 1.08625 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.471e-01 Mass of water (kg) = 1.000e+00 @@ -7976,10 +7976,10 @@ Initial solution 5. pH = 7.955 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 18324 + Specific Conductance (µS/cm, 20°C) = 18265 Density (g/cm³) = 1.01626 Volume (L) = 1.00910 - Viscosity (mPa s) = 1.10304 + Viscosity (mPa s) = 1.10644 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.102e-01 Mass of water (kg) = 1.000e+00 @@ -8037,10 +8037,10 @@ Initial solution 6. pH = 7.928 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 21408 + Specific Conductance (µS/cm, 20°C) = 21326 Density (g/cm³) = 1.01988 Volume (L) = 1.01070 - Viscosity (mPa s) = 1.12245 + Viscosity (mPa s) = 1.12661 Activity of water = 0.989 Ionic strength (mol/kgw) = 3.745e-01 Mass of water (kg) = 1.000e+00 @@ -8098,10 +8098,10 @@ Initial solution 7. pH = 7.903 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 24345 + Specific Conductance (µS/cm, 20°C) = 24237 Density (g/cm³) = 1.02348 Volume (L) = 1.01232 - Viscosity (mPa s) = 1.14159 + Viscosity (mPa s) = 1.14654 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.391e-01 Mass of water (kg) = 1.000e+00 @@ -8159,10 +8159,10 @@ Initial solution 8. pH = 7.880 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 27189 + Specific Conductance (µS/cm, 20°C) = 27050 Density (g/cm³) = 1.02711 Volume (L) = 1.01400 - Viscosity (mPa s) = 1.16076 + Viscosity (mPa s) = 1.16652 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.049e-01 Mass of water (kg) = 1.000e+00 @@ -8220,10 +8220,10 @@ Initial solution 9. pH = 7.858 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 29904 + Specific Conductance (µS/cm, 20°C) = 29733 Density (g/cm³) = 1.03072 Volume (L) = 1.01571 - Viscosity (mPa s) = 1.17967 + Viscosity (mPa s) = 1.18624 Activity of water = 0.983 Ionic strength (mol/kgw) = 5.709e-01 Mass of water (kg) = 1.000e+00 @@ -8281,10 +8281,10 @@ Initial solution 10. pH = 7.838 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 32505 + Specific Conductance (µS/cm, 20°C) = 32300 Density (g/cm³) = 1.03432 Volume (L) = 1.01745 - Viscosity (mPa s) = 1.19835 + Viscosity (mPa s) = 1.20574 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.372e-01 Mass of water (kg) = 1.000e+00 @@ -8342,10 +8342,10 @@ Initial solution 11. pH = 7.819 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 35040 + Specific Conductance (µS/cm, 20°C) = 34797 Density (g/cm³) = 1.03795 Volume (L) = 1.01924 - Viscosity (mPa s) = 1.21710 + Viscosity (mPa s) = 1.22534 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.048e-01 Mass of water (kg) = 1.000e+00 @@ -8403,10 +8403,10 @@ Initial solution 12. pH = 7.800 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 37470 + Specific Conductance (µS/cm, 20°C) = 37188 Density (g/cm³) = 1.04156 Volume (L) = 1.02106 - Viscosity (mPa s) = 1.23560 + Viscosity (mPa s) = 1.24470 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.726e-01 Mass of water (kg) = 1.000e+00 @@ -8517,10 +8517,10 @@ Initial solution 1. pH = 11.336 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 7355 + Specific Conductance (µS/cm, 20°C) = 7354 Density (g/cm³) = 1.00344 Volume (L) = 1.00158 - Viscosity (mPa s) = 1.03024 + Viscosity (mPa s) = 1.03033 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.393e-01 Mass of water (kg) = 1.000e+00 @@ -8578,10 +8578,10 @@ Initial solution 2. pH = 11.421 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 13321 + Specific Conductance (µS/cm, 20°C) = 13320 Density (g/cm³) = 1.00868 Volume (L) = 1.00143 - Viscosity (mPa s) = 1.05858 + Viscosity (mPa s) = 1.05875 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.824e-01 Mass of water (kg) = 1.000e+00 @@ -8639,10 +8639,10 @@ Initial solution 3. pH = 11.496 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 18650 + Specific Conductance (µS/cm, 20°C) = 18648 Density (g/cm³) = 1.01385 Volume (L) = 1.00134 - Viscosity (mPa s) = 1.08818 + Viscosity (mPa s) = 1.08844 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.259e-01 Mass of water (kg) = 1.000e+00 @@ -8700,10 +8700,10 @@ Initial solution 4. pH = 11.600 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 23697 + Specific Conductance (µS/cm, 20°C) = 23693 Density (g/cm³) = 1.01912 Volume (L) = 1.00130 - Viscosity (mPa s) = 1.12000 + Viscosity (mPa s) = 1.12038 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.740e-01 Mass of water (kg) = 1.000e+00 @@ -8761,10 +8761,10 @@ Initial solution 5. pH = 11.629 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 28380 + Specific Conductance (µS/cm, 20°C) = 28374 Density (g/cm³) = 1.02439 Volume (L) = 1.00133 - Viscosity (mPa s) = 1.15397 + Viscosity (mPa s) = 1.15444 Activity of water = 0.990 Ionic strength (mol/kgw) = 7.236e-01 Mass of water (kg) = 1.000e+00 @@ -8822,10 +8822,10 @@ Initial solution 6. pH = 11.652 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 32656 + Specific Conductance (µS/cm, 20°C) = 32647 Density (g/cm³) = 1.02951 Volume (L) = 1.00140 - Viscosity (mPa s) = 1.18881 + Viscosity (mPa s) = 1.18936 Activity of water = 0.988 Ionic strength (mol/kgw) = 8.704e-01 Mass of water (kg) = 1.000e+00 @@ -8883,10 +8883,10 @@ Initial solution 7. pH = 11.573 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 36758 + Specific Conductance (µS/cm, 20°C) = 36750 Density (g/cm³) = 1.03480 Volume (L) = 1.00155 - Viscosity (mPa s) = 1.22729 + Viscosity (mPa s) = 1.22779 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.023e+00 Mass of water (kg) = 1.000e+00 @@ -8944,10 +8944,10 @@ Initial solution 8. pH = 11.644 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 40649 + Specific Conductance (µS/cm, 20°C) = 40638 Density (g/cm³) = 1.03997 Volume (L) = 1.00170 - Viscosity (mPa s) = 1.26618 + Viscosity (mPa s) = 1.26681 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.174e+00 Mass of water (kg) = 1.000e+00 @@ -9005,10 +9005,10 @@ Initial solution 9. pH = 11.664 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 44381 + Specific Conductance (µS/cm, 20°C) = 44367 Density (g/cm³) = 1.04525 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.30826 + Viscosity (mPa s) = 1.30897 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.330e+00 Mass of water (kg) = 1.000e+00 @@ -9066,10 +9066,10 @@ Initial solution 10. pH = 11.725 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 47883 + Specific Conductance (µS/cm, 20°C) = 47866 Density (g/cm³) = 1.05043 Volume (L) = 1.00215 - Viscosity (mPa s) = 1.35140 + Viscosity (mPa s) = 1.35227 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.485e+00 Mass of water (kg) = 1.000e+00 @@ -9127,10 +9127,10 @@ Initial solution 11. pH = 11.698 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 51236 + Specific Conductance (µS/cm, 20°C) = 51218 Density (g/cm³) = 1.05578 Volume (L) = 1.00247 - Viscosity (mPa s) = 1.39867 + Viscosity (mPa s) = 1.39953 Activity of water = 0.979 Ionic strength (mol/kgw) = 1.645e+00 Mass of water (kg) = 1.000e+00 @@ -9188,10 +9188,10 @@ Initial solution 12. pH = 11.548 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 54103 + Specific Conductance (µS/cm, 20°C) = 54090 Density (g/cm³) = 1.06075 Volume (L) = 1.00286 - Viscosity (mPa s) = 1.44554 + Viscosity (mPa s) = 1.44618 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.794e+00 Mass of water (kg) = 1.000e+00 @@ -9249,10 +9249,10 @@ Initial solution 13. pH = 11.646 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 57224 + Specific Conductance (µS/cm, 20°C) = 57207 Density (g/cm³) = 1.06614 Volume (L) = 1.00321 - Viscosity (mPa s) = 1.49706 + Viscosity (mPa s) = 1.49790 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.960e+00 Mass of water (kg) = 1.000e+00 @@ -9310,10 +9310,10 @@ Initial solution 14. pH = 11.742 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 60160 + Specific Conductance (µS/cm, 20°C) = 60137 Density (g/cm³) = 1.07148 Volume (L) = 1.00361 - Viscosity (mPa s) = 1.55070 + Viscosity (mPa s) = 1.55178 Activity of water = 0.974 Ionic strength (mol/kgw) = 2.125e+00 Mass of water (kg) = 1.000e+00 @@ -9371,10 +9371,10 @@ Initial solution 15. pH = 11.678 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 62797 + Specific Conductance (µS/cm, 20°C) = 62776 Density (g/cm³) = 1.07679 Volume (L) = 1.00412 - Viscosity (mPa s) = 1.60763 + Viscosity (mPa s) = 1.60859 Activity of water = 0.972 Ionic strength (mol/kgw) = 2.289e+00 Mass of water (kg) = 1.000e+00 @@ -9432,10 +9432,10 @@ Initial solution 16. pH = 11.769 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 65378 + Specific Conductance (µS/cm, 20°C) = 65351 Density (g/cm³) = 1.08204 Volume (L) = 1.00460 - Viscosity (mPa s) = 1.66550 + Viscosity (mPa s) = 1.66672 Activity of water = 0.970 Ionic strength (mol/kgw) = 2.454e+00 Mass of water (kg) = 1.000e+00 @@ -9493,10 +9493,10 @@ Initial solution 17. pH = 11.633 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 67632 + Specific Conductance (µS/cm, 20°C) = 67612 Density (g/cm³) = 1.08727 Volume (L) = 1.00521 - Viscosity (mPa s) = 1.72730 + Viscosity (mPa s) = 1.72822 Activity of water = 0.968 Ionic strength (mol/kgw) = 2.619e+00 Mass of water (kg) = 1.000e+00 @@ -9554,10 +9554,10 @@ Initial solution 18. pH = 11.940 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 70277 + Specific Conductance (µS/cm, 20°C) = 70236 Density (g/cm³) = 1.09286 Volume (L) = 1.00573 - Viscosity (mPa s) = 1.79366 + Viscosity (mPa s) = 1.79555 Activity of water = 0.966 Ionic strength (mol/kgw) = 2.799e+00 Mass of water (kg) = 1.000e+00 @@ -9615,10 +9615,10 @@ Initial solution 19. pH = 11.733 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 72136 + Specific Conductance (µS/cm, 20°C) = 72110 Density (g/cm³) = 1.09801 Volume (L) = 1.00644 - Viscosity (mPa s) = 1.86052 + Viscosity (mPa s) = 1.86174 Activity of water = 0.965 Ionic strength (mol/kgw) = 2.964e+00 Mass of water (kg) = 1.000e+00 @@ -9676,10 +9676,10 @@ Initial solution 20. pH = 11.819 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 74277 + Specific Conductance (µS/cm, 20°C) = 74245 Density (g/cm³) = 1.10353 Volume (L) = 1.00713 - Viscosity (mPa s) = 1.93366 + Viscosity (mPa s) = 1.93517 Activity of water = 0.963 Ionic strength (mol/kgw) = 3.144e+00 Mass of water (kg) = 1.000e+00 @@ -9737,10 +9737,10 @@ Initial solution 21. pH = 11.517 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 77636 + Specific Conductance (µS/cm, 20°C) = 77620 Density (g/cm³) = 1.11403 Volume (L) = 1.00881 - Viscosity (mPa s) = 2.08522 + Viscosity (mPa s) = 2.08602 Activity of water = 0.959 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 @@ -9798,10 +9798,10 @@ Initial solution 22. pH = 11.545 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 80850 + Specific Conductance (µS/cm, 20°C) = 80833 Density (g/cm³) = 1.12474 Volume (L) = 1.01051 - Viscosity (mPa s) = 2.25125 + Viscosity (mPa s) = 2.25213 Activity of water = 0.955 Ionic strength (mol/kgw) = 3.847e+00 Mass of water (kg) = 1.000e+00 @@ -9859,10 +9859,10 @@ Initial solution 23. pH = 11.887 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 83906 + Specific Conductance (µS/cm, 20°C) = 83870 Density (g/cm³) = 1.13563 Volume (L) = 1.01226 - Viscosity (mPa s) = 2.43396 + Viscosity (mPa s) = 2.43588 Activity of water = 0.951 Ionic strength (mol/kgw) = 4.224e+00 Mass of water (kg) = 1.000e+00 @@ -9920,10 +9920,10 @@ Initial solution 24. pH = 11.909 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 86379 + Specific Conductance (µS/cm, 20°C) = 86342 Density (g/cm³) = 1.14677 Volume (L) = 1.01445 - Viscosity (mPa s) = 2.64010 + Viscosity (mPa s) = 2.64216 Activity of water = 0.947 Ionic strength (mol/kgw) = 4.614e+00 Mass of water (kg) = 1.000e+00 @@ -9981,10 +9981,10 @@ Initial solution 25. pH = 11.931 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 88422 + Specific Conductance (µS/cm, 20°C) = 88385 Density (g/cm³) = 1.15767 Volume (L) = 1.01680 - Viscosity (mPa s) = 2.86036 + Viscosity (mPa s) = 2.86255 Activity of water = 0.942 Ionic strength (mol/kgw) = 5.003e+00 Mass of water (kg) = 1.000e+00 @@ -10089,10 +10089,10 @@ Initial solution 1. pH = 8.195 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 4703 + Specific Conductance (µS/cm, 20°C) = 4702 Density (g/cm³) = 1.00154 Volume (L) = 1.00347 - Viscosity (mPa s) = 1.01712 + Viscosity (mPa s) = 1.01743 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.077e-02 Mass of water (kg) = 1.000e+00 @@ -10148,10 +10148,10 @@ Initial solution 2. pH = 8.141 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 9046 + Specific Conductance (µS/cm, 20°C) = 9042 Density (g/cm³) = 1.00485 Volume (L) = 1.00517 - Viscosity (mPa s) = 1.03150 + Viscosity (mPa s) = 1.03216 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.018e-01 Mass of water (kg) = 1.000e+00 @@ -10207,10 +10207,10 @@ Initial solution 3. pH = 8.075 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 17345 + Specific Conductance (µS/cm, 20°C) = 17329 Density (g/cm³) = 1.01153 Volume (L) = 1.00872 - Viscosity (mPa s) = 1.05984 + Viscosity (mPa s) = 1.06129 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.065e-01 Mass of water (kg) = 1.000e+00 @@ -10266,10 +10266,10 @@ Initial solution 4. pH = 8.031 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 25172 + Specific Conductance (µS/cm, 20°C) = 25138 Density (g/cm³) = 1.01821 Volume (L) = 1.01241 - Viscosity (mPa s) = 1.08752 + Viscosity (mPa s) = 1.08983 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.131e-01 Mass of water (kg) = 1.000e+00 @@ -10325,10 +10325,10 @@ Initial solution 5. pH = 7.997 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 32650 + Specific Conductance (µS/cm, 20°C) = 32591 Density (g/cm³) = 1.02488 Volume (L) = 1.01622 - Viscosity (mPa s) = 1.11474 + Viscosity (mPa s) = 1.11799 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.217e-01 Mass of water (kg) = 1.000e+00 @@ -10384,10 +10384,10 @@ Initial solution 6. pH = 7.968 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 39893 + Specific Conductance (µS/cm, 20°C) = 39801 Density (g/cm³) = 1.03162 Volume (L) = 1.02020 - Viscosity (mPa s) = 1.14181 + Viscosity (mPa s) = 1.14604 Activity of water = 0.983 Ionic strength (mol/kgw) = 5.331e-01 Mass of water (kg) = 1.000e+00 @@ -10443,10 +10443,10 @@ Initial solution 7. pH = 7.943 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 46885 + Specific Conductance (µS/cm, 20°C) = 46756 Density (g/cm³) = 1.03837 Volume (L) = 1.02432 - Viscosity (mPa s) = 1.16857 + Viscosity (mPa s) = 1.17384 Activity of water = 0.980 Ionic strength (mol/kgw) = 6.467e-01 Mass of water (kg) = 1.000e+00 @@ -10502,10 +10502,10 @@ Initial solution 8. pH = 7.921 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 53647 + Specific Conductance (µS/cm, 20°C) = 53474 Density (g/cm³) = 1.04512 Volume (L) = 1.02857 - Viscosity (mPa s) = 1.19500 + Viscosity (mPa s) = 1.20137 Activity of water = 0.976 Ionic strength (mol/kgw) = 7.624e-01 Mass of water (kg) = 1.000e+00 @@ -10561,10 +10561,10 @@ Initial solution 9. pH = 7.900 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 60264 + Specific Conductance (µS/cm, 20°C) = 60043 Density (g/cm³) = 1.05195 Volume (L) = 1.03300 - Viscosity (mPa s) = 1.22139 + Viscosity (mPa s) = 1.22892 Activity of water = 0.973 Ionic strength (mol/kgw) = 8.813e-01 Mass of water (kg) = 1.000e+00 @@ -10620,10 +10620,10 @@ Initial solution 10. pH = 7.880 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 66680 + Specific Conductance (µS/cm, 20°C) = 66406 Density (g/cm³) = 1.05877 Volume (L) = 1.03756 - Viscosity (mPa s) = 1.24745 + Viscosity (mPa s) = 1.25618 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.002e+00 Mass of water (kg) = 1.000e+00 @@ -10679,10 +10679,10 @@ Initial solution 11. pH = 7.862 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 73009 + Specific Conductance (µS/cm, 20°C) = 72676 Density (g/cm³) = 1.06570 Volume (L) = 1.04233 - Viscosity (mPa s) = 1.27359 + Viscosity (mPa s) = 1.28358 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.127e+00 Mass of water (kg) = 1.000e+00 @@ -10738,10 +10738,10 @@ Initial solution 12. pH = 7.828 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 85123 + Specific Conductance (µS/cm, 20°C) = 84661 Density (g/cm³) = 1.07951 Volume (L) = 1.05230 - Viscosity (mPa s) = 1.32474 + Viscosity (mPa s) = 1.33738 Activity of water = 0.959 Ionic strength (mol/kgw) = 1.384e+00 Mass of water (kg) = 1.000e+00 @@ -10797,10 +10797,10 @@ Initial solution 13. pH = 7.797 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 96743 + Specific Conductance (µS/cm, 20°C) = 96136 Density (g/cm³) = 1.09344 Volume (L) = 1.06299 - Viscosity (mPa s) = 1.37503 + Viscosity (mPa s) = 1.39050 Activity of water = 0.951 Ionic strength (mol/kgw) = 1.652e+00 Mass of water (kg) = 1.000e+00 @@ -10856,10 +10856,10 @@ Initial solution 14. pH = 7.768 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 108001 + Specific Conductance (µS/cm, 20°C) = 107236 Density (g/cm³) = 1.10759 Volume (L) = 1.07456 - Viscosity (mPa s) = 1.42466 + Viscosity (mPa s) = 1.44315 Activity of water = 0.944 Ionic strength (mol/kgw) = 1.935e+00 Mass of water (kg) = 1.000e+00 @@ -10915,10 +10915,10 @@ Initial solution 15. pH = 7.741 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 118847 + Specific Conductance (µS/cm, 20°C) = 117912 Density (g/cm³) = 1.12183 Volume (L) = 1.08700 - Viscosity (mPa s) = 1.47303 + Viscosity (mPa s) = 1.49468 Activity of water = 0.936 Ionic strength (mol/kgw) = 2.233e+00 Mass of water (kg) = 1.000e+00 @@ -10974,10 +10974,10 @@ Initial solution 16. pH = 7.715 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 129407 + Specific Conductance (µS/cm, 20°C) = 128290 Density (g/cm³) = 1.13628 Volume (L) = 1.10050 - Viscosity (mPa s) = 1.52028 + Viscosity (mPa s) = 1.54524 Activity of water = 0.928 Ionic strength (mol/kgw) = 2.549e+00 Mass of water (kg) = 1.000e+00 @@ -11033,10 +11033,10 @@ Initial solution 17. pH = 7.691 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 139648 + Specific Conductance (µS/cm, 20°C) = 138340 Density (g/cm³) = 1.15084 Volume (L) = 1.11513 - Viscosity (mPa s) = 1.56575 + Viscosity (mPa s) = 1.59410 Activity of water = 0.920 Ionic strength (mol/kgw) = 2.882e+00 Mass of water (kg) = 1.000e+00 @@ -11092,10 +11092,10 @@ Initial solution 18. pH = 7.667 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 149596 + Specific Conductance (µS/cm, 20°C) = 148092 Density (g/cm³) = 1.16550 Volume (L) = 1.13101 - Viscosity (mPa s) = 1.60897 + Viscosity (mPa s) = 1.64076 Activity of water = 0.912 Ionic strength (mol/kgw) = 3.236e+00 Mass of water (kg) = 1.000e+00 @@ -11200,7 +11200,7 @@ Initial solution 1. Specific Conductance (µS/cm, 20°C) = 7361 Density (g/cm³) = 1.00264 Volume (L) = 1.00238 - Viscosity (mPa s) = 1.01204 + Viscosity (mPa s) = 1.01210 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.064e-01 Mass of water (kg) = 1.000e+00 @@ -11256,10 +11256,10 @@ Initial solution 2. pH = 11.408 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 13767 + Specific Conductance (µS/cm, 20°C) = 13766 Density (g/cm³) = 1.00711 Volume (L) = 1.00301 - Viscosity (mPa s) = 1.02074 + Viscosity (mPa s) = 1.02086 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.165e-01 Mass of water (kg) = 1.000e+00 @@ -11315,10 +11315,10 @@ Initial solution 3. pH = 11.489 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 25499 + Specific Conductance (µS/cm, 20°C) = 25497 Density (g/cm³) = 1.01601 Volume (L) = 1.00439 - Viscosity (mPa s) = 1.03841 + Viscosity (mPa s) = 1.03863 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.392e-01 Mass of water (kg) = 1.000e+00 @@ -11374,10 +11374,10 @@ Initial solution 4. pH = 11.683 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 36757 + Specific Conductance (µS/cm, 20°C) = 36753 Density (g/cm³) = 1.02501 Volume (L) = 1.00591 - Viscosity (mPa s) = 1.05663 + Viscosity (mPa s) = 1.05706 Activity of water = 0.990 Ionic strength (mol/kgw) = 6.696e-01 Mass of water (kg) = 1.000e+00 @@ -11433,10 +11433,10 @@ Initial solution 5. pH = 11.681 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 47231 + Specific Conductance (µS/cm, 20°C) = 47225 Density (g/cm³) = 1.03383 Volume (L) = 1.00759 - Viscosity (mPa s) = 1.07719 + Viscosity (mPa s) = 1.07769 Activity of water = 0.987 Ionic strength (mol/kgw) = 8.987e-01 Mass of water (kg) = 1.000e+00 @@ -11492,10 +11492,10 @@ Initial solution 6. pH = 11.775 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 57803 + Specific Conductance (µS/cm, 20°C) = 57792 Density (g/cm³) = 1.04294 Volume (L) = 1.00944 - Viscosity (mPa s) = 1.09947 + Viscosity (mPa s) = 1.10016 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.140e+00 Mass of water (kg) = 1.000e+00 @@ -11551,10 +11551,10 @@ Initial solution 7. pH = 11.771 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 67862 + Specific Conductance (µS/cm, 20°C) = 67850 Density (g/cm³) = 1.05191 Volume (L) = 1.01144 - Viscosity (mPa s) = 1.12412 + Viscosity (mPa s) = 1.12486 Activity of water = 0.980 Ionic strength (mol/kgw) = 1.381e+00 Mass of water (kg) = 1.000e+00 @@ -11610,10 +11610,10 @@ Initial solution 8. pH = 11.810 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 77854 + Specific Conductance (µS/cm, 20°C) = 77838 Density (g/cm³) = 1.06099 Volume (L) = 1.01359 - Viscosity (mPa s) = 1.15078 + Viscosity (mPa s) = 1.15164 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.630e+00 Mass of water (kg) = 1.000e+00 @@ -11669,10 +11669,10 @@ Initial solution 9. pH = 11.848 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 87686 + Specific Conductance (µS/cm, 20°C) = 87666 Density (g/cm³) = 1.07014 Volume (L) = 1.01592 - Viscosity (mPa s) = 1.17987 + Viscosity (mPa s) = 1.18086 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.885e+00 Mass of water (kg) = 1.000e+00 @@ -11728,10 +11728,10 @@ Initial solution 10. pH = 11.731 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 97010 + Specific Conductance (µS/cm, 20°C) = 96993 Density (g/cm³) = 1.07914 Volume (L) = 1.01842 - Viscosity (mPa s) = 1.21287 + Viscosity (mPa s) = 1.21366 Activity of water = 0.970 Ionic strength (mol/kgw) = 2.139e+00 Mass of water (kg) = 1.000e+00 @@ -11787,10 +11787,10 @@ Initial solution 11. pH = 11.920 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 106750 + Specific Conductance (µS/cm, 20°C) = 106721 Density (g/cm³) = 1.08845 Volume (L) = 1.02105 - Viscosity (mPa s) = 1.24563 + Viscosity (mPa s) = 1.24686 Activity of water = 0.966 Ionic strength (mol/kgw) = 2.409e+00 Mass of water (kg) = 1.000e+00 @@ -11846,10 +11846,10 @@ Initial solution 12. pH = 12.131 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 125455 + Specific Conductance (µS/cm, 20°C) = 125404 Density (g/cm³) = 1.10706 Volume (L) = 1.02691 - Viscosity (mPa s) = 1.32233 + Viscosity (mPa s) = 1.32434 Activity of water = 0.958 Ionic strength (mol/kgw) = 2.964e+00 Mass of water (kg) = 1.000e+00 @@ -11905,10 +11905,10 @@ Initial solution 13. pH = 12.061 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 142726 + Specific Conductance (µS/cm, 20°C) = 142679 Density (g/cm³) = 1.12545 Volume (L) = 1.03354 - Viscosity (mPa s) = 1.41432 + Viscosity (mPa s) = 1.41605 Activity of water = 0.949 Ionic strength (mol/kgw) = 3.534e+00 Mass of water (kg) = 1.000e+00 @@ -11964,10 +11964,10 @@ Initial solution 14. pH = 12.441 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 160222 + Specific Conductance (µS/cm, 20°C) = 160114 Density (g/cm³) = 1.14434 Volume (L) = 1.04108 - Viscosity (mPa s) = 1.51977 + Viscosity (mPa s) = 1.52363 Activity of water = 0.939 Ionic strength (mol/kgw) = 4.147e+00 Mass of water (kg) = 1.000e+00 @@ -12023,10 +12023,10 @@ Initial solution 15. pH = 12.209 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 175851 + Specific Conductance (µS/cm, 20°C) = 175789 Density (g/cm³) = 1.16332 Volume (L) = 1.04980 - Viscosity (mPa s) = 1.65148 + Viscosity (mPa s) = 1.65369 Activity of water = 0.928 Ionic strength (mol/kgw) = 4.793e+00 Mass of water (kg) = 1.000e+00 @@ -12082,10 +12082,10 @@ Initial solution 16. pH = 12.581 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 191171 + Specific Conductance (µS/cm, 20°C) = 191038 Density (g/cm³) = 1.18202 Volume (L) = 1.05934 - Viscosity (mPa s) = 1.79710 + Viscosity (mPa s) = 1.80185 Activity of water = 0.916 Ionic strength (mol/kgw) = 5.467e+00 Mass of water (kg) = 1.000e+00 @@ -12141,10 +12141,10 @@ Initial solution 17. pH = 12.163 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 216716 + Specific Conductance (µS/cm, 20°C) = 216676 Density (g/cm³) = 1.21937 Volume (L) = 1.08279 - Viscosity (mPa s) = 2.19112 + Viscosity (mPa s) = 2.19268 Activity of water = 0.888 Ionic strength (mol/kgw) = 6.936e+00 Mass of water (kg) = 1.000e+00 @@ -13230,10 +13230,10 @@ Initial solution 18. pH = 10.049 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 66565 + Specific Conductance (µS/cm, 25°C) = 66564 Density (g/cm³) = 1.07009 Volume (L) = 1.01600 - Viscosity (mPa s) = 1.17139 + Viscosity (mPa s) = 1.17142 Activity of water = 0.978 Ionic strength (mol/kgw) = 1.842e+00 Mass of water (kg) = 1.000e+00 @@ -13287,10 +13287,10 @@ Initial solution 19. pH = 10.049 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 66686 + Specific Conductance (µS/cm, 25°C) = 66685 Density (g/cm³) = 1.07026 Volume (L) = 1.01604 - Viscosity (mPa s) = 1.17216 + Viscosity (mPa s) = 1.17218 Activity of water = 0.978 Ionic strength (mol/kgw) = 1.846e+00 Mass of water (kg) = 1.000e+00 @@ -14250,7 +14250,7 @@ Initial solution 7. Specific Conductance (µS/cm, 20°C) = 34993 Density (g/cm³) = 1.02656 Volume (L) = 1.00942 - Viscosity (mPa s) = 1.02890 + Viscosity (mPa s) = 1.02891 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.238e-01 Mass of water (kg) = 1.000e+00 @@ -14421,7 +14421,7 @@ Initial solution 10. Specific Conductance (µS/cm, 20°C) = 48866 Density (g/cm³) = 1.03889 Volume (L) = 1.01321 - Viscosity (mPa s) = 1.04082 + Viscosity (mPa s) = 1.04083 Activity of water = 0.988 Ionic strength (mol/kgw) = 9.058e-01 Mass of water (kg) = 1.000e+00 @@ -14589,10 +14589,10 @@ Initial solution 13. pH = 10.002 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 62860 + Specific Conductance (µS/cm, 20°C) = 62859 Density (g/cm³) = 1.05131 Volume (L) = 1.01728 - Viscosity (mPa s) = 1.05388 + Viscosity (mPa s) = 1.05389 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.196e+00 Mass of water (kg) = 1.000e+00 @@ -14763,7 +14763,7 @@ Initial solution 16. Specific Conductance (µS/cm, 20°C) = 77028 Density (g/cm³) = 1.06386 Volume (L) = 1.02163 - Viscosity (mPa s) = 1.06832 + Viscosity (mPa s) = 1.06833 Activity of water = 0.982 Ionic strength (mol/kgw) = 1.496e+00 Mass of water (kg) = 1.000e+00 @@ -14931,10 +14931,10 @@ Initial solution 19. pH = 10.311 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 91492 + Specific Conductance (µS/cm, 20°C) = 91490 Density (g/cm³) = 1.07664 Volume (L) = 1.02632 - Viscosity (mPa s) = 1.08455 + Viscosity (mPa s) = 1.08458 Activity of water = 0.979 Ionic strength (mol/kgw) = 1.807e+00 Mass of water (kg) = 1.000e+00 @@ -14988,10 +14988,10 @@ Initial solution 20. pH = 10.614 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 96293 + Specific Conductance (µS/cm, 20°C) = 96290 Density (g/cm³) = 1.08088 Volume (L) = 1.02793 - Viscosity (mPa s) = 1.09032 + Viscosity (mPa s) = 1.09038 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.912e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/Equiv_Conduct_101.sel b/mytest/Equiv_Conduct_101.sel index 08cf7aad0..41c19e962 100644 --- a/mytest/Equiv_Conduct_101.sel +++ b/mytest/Equiv_Conduct_101.sel @@ -1,294 +1,294 @@ Mu SC - 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0.452999899013 21826.3095710252 - 0.596699879676 27275.4072793245 - 0.609599878172 27750.6874445750 - 0.756458841545 33036.6748251206 - 0.916199849705 38529.8912005771 - 1.221454323447 48466.3480019162 - 1.224599829899 48558.5542309457 - 1.499699816379 56910.3514840113 + 0.452999899013 21826.3090791058 + 0.596699879676 27275.4065580974 + 0.609599878172 27750.6867018998 + 0.756458841545 33036.6748218019 + 0.916199849705 38529.8899208254 + 1.221454323447 48466.3479950603 + 1.224599829899 48558.5523865049 + 1.499699816379 56910.3491408870 1.530010085310 57820.6059695118 - 1.534499814863 57928.4727424743 - 1.841899999603 66565.4789698618 - 1.846399999603 66686.7974854744 + 1.534499814863 57928.4703375141 + 1.841899999603 66564.0583463867 + 1.846399999603 66685.3738222060 2.153999594004 74640.7907252201 - 2.456999783917 81824.3261978496 - 2.468999783592 82096.0150087793 + 2.456999783917 81824.3223509918 + 2.468999783592 82096.0111462935 2.785494831285 88908.5203553059 - 3.086999768275 94741.1757128085 + 3.086999768275 94741.1711716122 3.100462385422 95022.7315720374 3.403450806415 100239.1666441526 - 3.725999754380 105090.3637252539 - 4.376999741354 112908.8819931237 - 5.045999728727 118261.9391706314 + 3.725999754380 105090.3587444690 + 4.376999741354 112908.8768192778 + 5.045999728727 118261.9340261858 0.174615058306 11435.5577129757 0.262211365621 16328.3234217716 - 0.350099941397 21023.9050611272 - 0.441099999837 25760.2055681653 + 0.350099941397 21023.9048653789 + 0.441099999837 25760.0873383843 0.532365233958 30407.6527373912 - 0.623799999769 34993.8165167172 - 0.718499898101 39683.6646232358 + 0.623799999769 34993.6323513553 + 0.718499898101 39683.6640383919 0.810458594505 44213.7978949488 - 0.905799999680 48866.5817784158 - 1.001399875239 53493.6015092364 - 1.100099868193 58249.4377013265 - 1.196199999598 62860.3793731837 - 1.295699855054 67590.5782130949 - 1.395599848636 72318.6000622739 - 1.495599999519 77028.9587581932 - 1.598999835938 81851.2694266817 + 0.905799999680 48866.2844729632 + 1.001399875239 53493.6005421672 + 1.100099868193 58249.4365869055 + 1.196199999598 62859.9539914136 + 1.295699855054 67590.5767882054 + 1.395599848636 72318.5984703018 + 1.495599999519 77028.3921710972 + 1.598999835938 81851.2674790804 1.702482747889 86674.7628681309 - 1.807399999719 91492.0803888433 - 1.912299999853 96293.0727135194 + 1.807399999719 91490.6496144560 + 1.912299999853 96290.0283822412 0.000000100644 0.0547821166 - 0.001047695736 65.5171165600 - 0.002074889606 126.7424650797 - 0.003077283768 184.7314804241 - 0.004116077916 243.3936844103 - 0.005172072167 301.7741757448 - 0.006268066393 361.2067510207 - 0.007524059995 428.0324993566 - 0.008704054174 489.6943108191 - 0.009916048367 552.0025492926 - 0.012552036261 684.3118140324 - 0.028447973287 1413.3786791820 - 0.101799764948 4008.7778917559 - 0.215119529484 6925.9421667399 - 0.374319267145 10091.9783758408 - 0.753998780903 16067.3112765483 - 1.534798057047 26324.9522356322 - 2.417197468192 36540.0575124302 - 3.651996859628 48484.4657192271 - 4.967996348854 57363.7936398491 - 7.123995602182 61892.0173269206 - 9.195994826246 56311.5984383941 - 0.168279714599 5190.0076525328 - 0.336479488740 8398.5259326327 - 0.676799140341 13391.6863797994 - 1.025598857016 17781.9333247911 - 1.382398613799 21940.5389024203 - 1.747598399706 25964.9859717101 - 2.117598210161 29833.8585208382 - 2.500398036686 33614.4830504631 - 2.887597879666 37192.0880914363 - 3.284397733914 40576.5401443138 - 3.689997597334 43712.8643122613 - 4.527997343156 49042.3001325422 - 5.403997101518 52797.9454180640 - 6.323996857925 54666.4704618753 - 7.291996599059 54466.0546207906 - 8.307996312055 52257.1314954744 - 9.387995977334 48309.8315468808 - 10.519995580379 43187.3488079662 - 11.719995092313 37429.6948723722 + 0.001047695736 65.5171164459 + 0.002074889606 126.7424648205 + 0.003077283768 184.7314800059 + 0.004116077916 243.3936838139 + 0.005172072167 301.7741749560 + 0.006268066393 361.2067500222 + 0.007524059995 428.0324981070 + 0.008704054174 489.6943093245 + 0.009916048367 552.0025475383 + 0.012552036261 684.3118116887 + 0.028447973287 1413.3786728070 + 0.101799764948 4008.7778626743 + 0.215119529484 6925.9420990108 + 0.374319267145 10091.9782528097 + 0.753998780903 16067.3110235851 + 1.534798057047 26324.9517326666 + 2.417197468192 36540.0567729013 + 3.651996859628 48484.4647644100 + 4.967996348854 57363.7926241975 + 7.123995602182 61892.0165144042 + 9.195994826246 56311.5979457965 + 0.168279714599 5190.0076146600 + 0.336479488740 8398.5258522602 + 0.676799140341 13391.6862144894 + 1.025598857016 17781.9330753980 + 1.382398613799 21940.5385712654 + 1.747598399706 25964.9855626044 + 2.117598210161 29833.8580398818 + 2.500398036686 33614.4825038218 + 2.887597879666 37192.0874882451 + 3.284397733914 40576.5394942344 + 3.689997597334 43712.8636263215 + 4.527997343156 49042.2994114974 + 5.403997101518 52797.9447128193 + 6.323996857925 54666.4698196079 + 7.291996599059 54466.0540771284 + 8.307996312055 52257.1310679888 + 9.387995977334 48309.8312356549 + 10.519995580379 43187.3485967504 + 11.719995092313 37429.6947387455 diff --git a/mytest/ExchMixRelatedKin.out b/mytest/ExchMixRelatedKin.out index dabc971fd..85d13b759 100644 --- a/mytest/ExchMixRelatedKin.out +++ b/mytest/ExchMixRelatedKin.out @@ -82,7 +82,6 @@ H(0) 1.071e-17 H2 5.353e-18 5.354e-18 -17.271 -17.271 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.652e-05 -4.000 -4.015 -0.015 -1.48 - NaOH 1.123e-25 1.123e-25 -24.950 -24.950 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.838 -57.837 0.000 30.40 @@ -306,7 +305,7 @@ X 1.646e-03 mol [1 (mol Ca0.5X)/(mol kinetic reactant Calcite)] Specific Conductance (µS/cm, 25°C) = 162 Density (g/cm³) = 0.99709 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89043 + Viscosity (mPa s) = 0.89047 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.356e-03 Mass of water (kg) = 1.000e+00 @@ -350,7 +349,6 @@ H(0) 1.296e-39 Na 9.664e-05 Na+ 9.664e-05 9.277e-05 -4.015 -4.033 -0.018 -1.47 NaHCO3 6.832e-11 6.837e-11 -10.165 -10.165 0.000 31.73 - NaOH 5.057e-25 5.059e-25 -24.296 -24.296 0.000 (0) O(0) 1.985e-14 O2 9.924e-15 9.927e-15 -14.003 -14.003 0.000 30.40 diff --git a/mytest/ExchMixRelatedKin_101.sel b/mytest/ExchMixRelatedKin_101.sel index ed4edfbf4..7b39bfb44 100644 --- a/mytest/ExchMixRelatedKin_101.sel +++ b/mytest/ExchMixRelatedKin_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000999711309 389.5324644655 0.000999711312 389.5324644763 - 0.001356408212 162.1962897897 + 0.001356408212 162.1882088135 diff --git a/mytest/ExchMixRelatedMin.out b/mytest/ExchMixRelatedMin.out index 5ffe2f641..9debdc06c 100644 --- a/mytest/ExchMixRelatedMin.out +++ b/mytest/ExchMixRelatedMin.out @@ -82,7 +82,6 @@ H(0) 1.071e-17 H2 5.353e-18 5.354e-18 -17.271 -17.271 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.652e-05 -4.000 -4.015 -0.015 -1.48 - NaOH 1.123e-25 1.123e-25 -24.950 -24.950 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.838 -57.837 0.000 30.40 @@ -302,7 +301,7 @@ X 1.102e-03 mol [1 (mol Ca0.5X)/(mol Calcite)] Specific Conductance (µS/cm, 25°C) = 213 Density (g/cm³) = 0.99715 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89149 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.778e-03 Mass of water (kg) = 1.000e+00 @@ -324,7 +323,7 @@ X 1.102e-03 mol [1 (mol Ca0.5X)/(mol Calcite)] H+ 8.701e-09 8.247e-09 -8.060 -8.084 -0.023 0.00 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 C(-4) 1.672e-27 - CH4 1.672e-27 1.673e-27 -26.777 -26.777 0.000 35.46 + CH4 1.672e-27 1.673e-27 -26.777 -26.776 0.000 35.46 C(4) 8.975e-04 HCO3- 8.684e-04 8.207e-04 -3.061 -3.086 -0.025 24.60 CO2 1.521e-05 1.522e-05 -4.818 -4.818 0.000 34.43 @@ -346,7 +345,6 @@ H(0) 3.660e-15 Na 9.855e-05 Na+ 9.849e-05 9.300e-05 -4.007 -4.032 -0.025 -1.45 NaHCO3 6.639e-08 6.647e-08 -7.178 -7.177 0.001 31.73 - NaOH 1.141e-20 1.141e-20 -19.943 -19.943 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.906 -62.905 0.000 30.40 diff --git a/mytest/ExchMixRelatedMin_101.sel b/mytest/ExchMixRelatedMin_101.sel index b2ba45169..93c474ac8 100644 --- a/mytest/ExchMixRelatedMin_101.sel +++ b/mytest/ExchMixRelatedMin_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000999711309 389.5324644655 0.000999711312 389.5324644763 - 0.002777581466 213.8992915169 + 0.002777581466 213.8974607055 diff --git a/mytest/ExchangeGamma.out b/mytest/ExchangeGamma.out index 7b42b6bfa..ba1a8a22d 100644 --- a/mytest/ExchangeGamma.out +++ b/mytest/ExchangeGamma.out @@ -102,7 +102,6 @@ K 2.000e-03 K+ 2.000e-03 1.883e-03 -2.699 -2.725 -0.026 9.03 Na 1.000e-03 Na+ 1.000e-03 9.424e-04 -3.000 -3.026 -0.026 -1.44 - NaOH 9.531e-21 9.537e-21 -20.021 -20.021 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -208,7 +207,6 @@ K 2.000e-03 K+ 2.000e-03 1.883e-03 -2.699 -2.725 -0.026 9.03 Na 1.000e-03 Na+ 1.000e-03 9.424e-04 -3.000 -3.026 -0.026 -1.44 - NaOH 9.531e-21 9.537e-21 -20.021 -20.021 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/ExchangeGamma_101.sel b/mytest/ExchangeGamma_101.sel index 66c1917f5..c5642c265 100644 --- a/mytest/ExchangeGamma_101.sel +++ b/mytest/ExchangeGamma_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.003000105692 409.7056097960 - 0.003000105692 409.7056097960 - 0.003000105692 409.7056097960 + 0.003000105692 409.7056097994 + 0.003000105692 409.7056097994 + 0.003000105692 409.7056097994 diff --git a/mytest/Fe+2.out b/mytest/Fe+2.out index b0385fe08..03d30280c 100644 --- a/mytest/Fe+2.out +++ b/mytest/Fe+2.out @@ -140,7 +140,6 @@ N(5) 7.161e-05 NO3- 7.161e-05 6.887e-05 -4.145 -4.162 -0.017 29.49 Na 1.003e-03 Na+ 1.003e-03 9.657e-04 -2.999 -3.015 -0.017 -1.47 - NaOH 9.772e-21 9.775e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 [Fe+2] 1.796e-05 @@ -228,7 +227,6 @@ N(5) 7.161e-05 NO3- 7.161e-05 6.887e-05 -4.145 -4.162 -0.017 29.49 Na 1.003e-03 Na+ 1.003e-03 9.657e-04 -2.999 -3.015 -0.017 -1.47 - NaOH 9.869e-21 9.872e-21 -20.006 -20.006 0.000 (0) O(0) 5.175e-09 O2 2.587e-09 2.588e-09 -8.587 -8.587 0.000 30.40 [Fe+2] 1.796e-05 diff --git a/mytest/Fe+2_101.sel b/mytest/Fe+2_101.sel index dca2269c5..679e47c16 100644 --- a/mytest/Fe+2_101.sel +++ b/mytest/Fe+2_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.001175819408 140.8192409823 - 0.001175818386 140.8189681726 + 0.001175819408 140.8192409612 + 0.001175818386 140.8189681513 diff --git a/mytest/Gas_FixVolume_101.sel b/mytest/Gas_FixVolume_101.sel index 94b9d5c34..e66a38f3b 100644 --- a/mytest/Gas_FixVolume_101.sel +++ b/mytest/Gas_FixVolume_101.sel @@ -1,3 +1,3 @@ Mu SC 0.000000100661 0.0546997340 - 0.000000100644 0.0546865425 + 0.000000100644 0.0546865426 diff --git a/mytest/Goldsack.out b/mytest/Goldsack.out index 2be3ecc55..842dbe587 100644 --- a/mytest/Goldsack.out +++ b/mytest/Goldsack.out @@ -123,7 +123,7 @@ Initial solution 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.556e-17 + Total alkalinity (eq/kg) = -9.782e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 9.988e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -148,7 +148,6 @@ K 5.000e-01 K+ 5.000e-01 2.997e-01 -0.301 -0.523 -0.222 9.84 Na 5.000e-01 Na+ 5.000e-01 3.656e-01 -0.301 -0.437 -0.136 -0.31 - NaOH 2.608e-18 3.283e-18 -17.584 -17.484 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.358 -42.258 0.100 30.40 @@ -186,7 +185,7 @@ Initial solution 2. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.681e-13 + Total alkalinity (eq/kg) = -4.679e-13 Temperature (°C) = 25.00 Electrical balance (eq) = 8.613e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -211,7 +210,6 @@ K 1.000e+00 K+ 1.000e+00 5.693e-01 0.000 -0.245 -0.245 10.33 Na 1.000e+00 Na+ 1.000e+00 8.220e-01 0.000 -0.085 -0.085 0.14 - NaOH 4.398e-18 6.970e-18 -17.357 -17.157 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.526 -42.326 0.200 30.40 @@ -274,7 +272,6 @@ K 1.500e+00 K+ 1.500e+00 8.429e-01 0.176 -0.074 -0.250 10.80 Na 1.500e+00 Na+ 1.500e+00 1.433e+00 0.176 0.156 -0.020 0.48 - NaOH 5.818e-18 1.161e-17 -17.235 -16.935 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.673 -42.373 0.300 30.40 @@ -312,9 +309,9 @@ Initial solution 4. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.191e-17 + Total alkalinity (eq/kg) = -2.913e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.929e-16 + Electrical balance (eq) = 8.930e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (14 overall) Total H = 1.110124e+02 @@ -337,7 +334,6 @@ K 2.000e+00 K+ 2.000e+00 1.127e+00 0.301 0.052 -0.249 11.24 Na 2.000e+00 Na+ 2.000e+00 2.248e+00 0.301 0.352 0.051 0.77 - NaOH 6.989e-18 1.756e-17 -17.156 -16.756 0.400 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.804 -42.404 0.400 30.40 @@ -375,7 +371,7 @@ Initial solution 5. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.916e-16 + Total alkalinity (eq/kg) = -9.999e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.548e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -400,7 +396,6 @@ K 2.500e+00 K+ 2.500e+00 1.424e+00 0.398 0.154 -0.244 11.69 Na 2.500e+00 Na+ 2.500e+00 3.331e+00 0.398 0.523 0.125 1.02 - NaOH 7.965e-18 2.519e-17 -17.099 -16.599 0.500 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.925 -42.425 0.500 30.40 @@ -463,7 +458,6 @@ K 2.500e+00 K+ 2.500e+00 1.405e+00 0.398 0.148 -0.250 10.80 Na 5.000e-01 Na+ 5.000e-01 4.775e-01 -0.301 -0.321 -0.020 0.48 - NaOH 1.939e-18 3.869e-18 -17.712 -17.412 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.673 -42.373 0.300 30.40 @@ -502,7 +496,7 @@ Initial solution 7. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.805e-18 + Total alkalinity (eq/kg) = 1.140e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.032e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -529,7 +523,6 @@ K 5.000e-01 K+ 5.000e-01 2.997e-01 -0.301 -0.523 -0.222 9.84 Na 5.000e-01 Na+ 5.000e-01 3.656e-01 -0.301 -0.437 -0.136 -0.31 - NaOH 2.572e-18 3.238e-18 -17.590 -17.490 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.382 -42.282 0.100 30.40 @@ -595,7 +588,6 @@ K 1.000e+00 K+ 1.000e+00 5.693e-01 0.000 -0.245 -0.245 10.33 Na 1.000e+00 Na+ 1.000e+00 8.220e-01 0.000 -0.085 -0.085 0.14 - NaOH 4.354e-18 6.901e-18 -17.361 -17.161 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.544 -42.344 0.200 30.40 @@ -661,7 +653,6 @@ K 1.500e+00 K+ 1.500e+00 8.429e-01 0.176 -0.074 -0.250 10.80 Na 1.500e+00 Na+ 1.500e+00 1.433e+00 0.176 0.156 -0.020 0.48 - NaOH 5.785e-18 1.154e-17 -17.238 -16.938 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.683 -42.383 0.300 30.40 @@ -700,7 +691,7 @@ Initial solution 10. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.148e-16 + Total alkalinity (eq/kg) = -5.220e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 2.678e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -727,7 +718,6 @@ K 2.000e+00 K+ 2.000e+00 1.127e+00 0.301 0.052 -0.249 11.24 Na 2.000e+00 Na+ 2.000e+00 2.248e+00 0.301 0.352 0.051 0.77 - NaOH 6.969e-18 1.751e-17 -17.157 -16.757 0.400 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.809 -42.409 0.400 30.40 @@ -793,7 +783,6 @@ K 5.000e-01 K+ 5.000e-01 2.810e-01 -0.301 -0.551 -0.250 10.80 Na 2.500e+00 Na+ 2.500e+00 2.388e+00 0.398 0.378 -0.020 0.48 - NaOH 9.678e-18 1.931e-17 -17.014 -16.714 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.676 -42.376 0.300 30.40 @@ -859,7 +848,6 @@ K 2.500e+00 K+ 2.500e+00 1.405e+00 0.398 0.148 -0.250 10.80 Na 5.000e-01 Na+ 5.000e-01 4.775e-01 -0.301 -0.321 -0.020 0.48 - NaOH 1.921e-18 3.833e-18 -17.716 -17.416 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.689 -42.389 0.300 30.40 @@ -922,7 +910,6 @@ H(0) 2.545e-22 Na 1.000e+00 Na+ 5.861e-01 4.548e-01 -0.232 -0.342 -0.110 -0.04 NaSO4- 4.139e-01 2.638e-01 -0.383 -0.579 -0.196 16.33 - NaOH 6.082e-20 8.717e-20 -19.216 -19.060 0.156 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.093 -48.936 0.156 30.40 S(6) 1.000e+00 @@ -966,7 +953,7 @@ Initial solution 14. Activity of water = 0.943 Ionic strength (mol/kgw) = 2.222e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.397e-17 + Total alkalinity (eq/kg) = 2.199e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.122e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -991,7 +978,6 @@ H(0) 3.601e-22 Na 1.000e+00 Na+ 5.386e-01 4.569e-01 -0.269 -0.340 -0.071 0.22 NaSO4- 4.614e-01 2.872e-01 -0.336 -0.542 -0.206 20.19 - NaOH 4.014e-20 6.695e-20 -19.396 -19.174 0.222 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.609 -49.386 0.222 30.40 S(6) 1.500e+00 @@ -1035,7 +1021,7 @@ Initial solution 15. Activity of water = 0.916 Ionic strength (mol/kgw) = 3.094e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.733e-17 + Total alkalinity (eq/kg) = -3.405e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -4.350e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1060,7 +1046,6 @@ H(0) 3.975e-22 Na 1.500e+00 Na+ 7.571e-01 7.339e-01 -0.121 -0.134 -0.013 0.51 NaSO4- 7.429e-01 4.531e-01 -0.129 -0.344 -0.215 24.12 - NaOH 4.412e-20 8.997e-20 -19.355 -19.046 0.309 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.981 -49.671 0.309 30.40 S(6) 2.250e+00 @@ -1104,7 +1089,7 @@ Initial solution 16. Activity of water = 0.890 Ionic strength (mol/kgw) = 3.916e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.232e-16 + Total alkalinity (eq/kg) = -4.318e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -2.292e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1129,7 +1114,6 @@ H(0) 4.125e-22 Na 2.000e+00 NaSO4- 1.036e+00 6.233e-01 0.015 -0.205 -0.221 27.10 Na+ 9.642e-01 1.069e+00 -0.016 0.029 0.045 0.75 - NaOH 4.615e-20 1.137e-19 -19.336 -18.944 0.392 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.284 -49.893 0.392 30.40 S(6) 3.000e+00 @@ -1173,7 +1157,7 @@ Initial solution 17. Activity of water = 0.890 Ionic strength (mol/kgw) = 3.986e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.004e-15 + Total alkalinity (eq/kg) = -1.182e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.638e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1198,7 +1182,6 @@ H(0) 4.724e-22 Na 1.000e+00 NaSO4- 5.368e-01 3.227e-01 -0.270 -0.491 -0.221 27.34 Na+ 4.632e-01 5.196e-01 -0.334 -0.284 0.050 0.76 - NaOH 2.044e-20 5.119e-20 -19.689 -19.291 0.399 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.424 -50.025 0.399 30.40 S(6) 3.000e+00 @@ -1242,7 +1225,7 @@ Initial solution 18. Activity of water = 0.907 Ionic strength (mol/kgw) = 3.423e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.213e-13 + Total alkalinity (eq/kg) = -6.210e-13 Temperature (°C) = 25.00 Electrical balance (eq) = -5.430e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1267,7 +1250,6 @@ H(0) 4.545e-22 Na 1.000e+00 NaSO4- 5.179e-01 3.140e-01 -0.286 -0.503 -0.217 25.38 Na+ 4.821e-01 4.928e-01 -0.317 -0.307 0.010 0.61 - NaOH 2.448e-20 5.385e-20 -19.611 -19.269 0.342 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.205 -49.862 0.342 30.40 S(6) 2.500e+00 @@ -1716,7 +1698,7 @@ Initial solution 25. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.788e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.460e-17 + Total alkalinity (eq/kg) = 9.422e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -9.992e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1749,7 +1731,6 @@ K 5.000e-01 Na 5.000e-01 Na+ 3.699e-01 2.954e-01 -0.432 -0.530 -0.098 0.06 NaSO4- 1.301e-01 8.218e-02 -0.886 -1.085 -0.200 17.76 - NaOH 2.733e-20 4.125e-20 -19.563 -19.385 0.179 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.652 -49.473 0.179 30.40 S(6) 5.000e-01 @@ -1800,7 +1781,7 @@ Initial solution 26. Activity of water = 0.895 Ionic strength (mol/kgw) = 3.405e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.729e-17 + Total alkalinity (eq/kg) = -4.868e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.015e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1833,7 +1814,6 @@ K 1.000e+00 Na 1.000e+00 Na+ 6.795e-01 6.925e-01 -0.168 -0.160 0.008 0.60 NaSO4- 3.205e-01 1.944e-01 -0.494 -0.711 -0.217 25.31 - NaOH 3.431e-20 7.515e-20 -19.465 -19.124 0.341 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.203 -49.862 0.341 30.40 S(6) 1.000e+00 @@ -1884,7 +1864,7 @@ Initial solution 27. Activity of water = 0.843 Ionic strength (mol/kgw) = 4.957e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.746e-16 + Total alkalinity (eq/kg) = -1.793e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -6.711e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1917,7 +1897,6 @@ K 1.500e+00 Na 1.500e+00 Na+ 9.648e-01 1.276e+00 -0.016 0.106 0.121 1.01 NaSO4- 5.352e-01 3.180e-01 -0.271 -0.498 -0.226 30.26 - NaOH 3.813e-20 1.194e-19 -19.419 -18.923 0.496 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.564 -50.068 0.496 30.40 S(6) 1.500e+00 @@ -1968,7 +1947,7 @@ Initial solution 28. Activity of water = 0.922 Ionic strength (mol/kgw) = 2.478e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.731e-17 + Total alkalinity (eq/kg) = -1.854e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 2.210e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2001,7 +1980,6 @@ K 7.500e-01 Na 1.000e+00 Na+ 7.891e-01 6.952e-01 -0.103 -0.158 -0.055 0.31 NaSO4- 2.109e-01 1.304e-01 -0.676 -0.885 -0.209 21.45 - NaOH 5.057e-20 8.946e-20 -19.296 -19.048 0.248 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.840 -49.592 0.248 30.40 S(6) 5.000e-01 @@ -2052,7 +2030,7 @@ Initial solution 29. Activity of water = 0.930 Ionic strength (mol/kgw) = 2.280e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.423e-17 + Total alkalinity (eq/kg) = 6.383e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -5.551e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2085,7 +2063,6 @@ K 1.000e+00 Na 5.000e-01 Na+ 3.756e-01 3.214e-01 -0.425 -0.493 -0.068 0.24 NaSO4- 1.244e-01 7.732e-02 -0.905 -1.112 -0.207 20.48 - NaOH 2.602e-20 4.398e-20 -19.585 -19.357 0.228 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.721 -49.493 0.228 30.40 S(6) 5.000e-01 @@ -2136,7 +2113,7 @@ Initial solution 30. Activity of water = 0.893 Ionic strength (mol/kgw) = 3.642e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.408e-16 + Total alkalinity (eq/kg) = -4.415e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -1.352e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2169,7 +2146,6 @@ K 1.000e+00 Na 5.000e-01 Na+ 2.859e-01 3.028e-01 -0.544 -0.519 0.025 0.67 NaSO4- 2.141e-01 1.294e-01 -0.669 -0.888 -0.219 26.17 - NaOH 1.376e-20 3.182e-20 -19.861 -19.497 0.364 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.280 -49.916 0.364 30.40 S(6) 1.500e+00 diff --git a/mytest/Goldsack_101.sel b/mytest/Goldsack_101.sel index ea317502d..007844b68 100644 --- a/mytest/Goldsack_101.sel +++ b/mytest/Goldsack_101.sel @@ -1,31 +1,31 @@ Mu SC Viscosity - 1.000000146505 97172.0846859914 0.9280920455 - 2.000000153301 173903.2836319239 0.9761521565 - 3.000000156391 235671.0585898113 1.0375251629 - 4.000000157320 284005.1716973122 1.1130169572 - 5.000000156894 320419.4674023482 1.2031207784 - 3.000000156391 262783.4549636915 0.9493124851 - 1.000000148572 98245.9434792946 0.9159432130 - 2.000000154834 175963.3835199137 0.9518178867 - 3.000000157266 238755.5338913075 1.0009668557 - 4.000000157764 288120.1062741245 1.0642413678 - 3.000000156681 207220.1936713207 1.1292887983 - 3.000000157857 264557.4470803356 0.8973480402 - 1.563224081892 127099.6357694251 1.2149573400 - 2.222017027728 187207.0669577063 1.3433203564 - 3.094258770377 254456.2641834438 1.6691524140 - 3.915507695684 318892.8498841393 2.0727059410 - 3.985848388425 337302.5882652944 1.7502361940 - 3.422991626001 291183.0459431470 1.6188777422 - 1.794778033675 152591.7448587659 1.1049917511 - 2.611188227098 213997.7704486150 1.1799548775 - 3.417021882613 269175.1333004005 1.1656425305 - 2.152855659898 183442.1569761938 1.1444092896 - 2.262837484641 184938.9651877409 1.1549496771 - 2.490497934628 211742.7466706206 1.1783331163 - 1.787582727362 161855.3373382548 1.0157752749 - 3.405353359221 266528.2354445464 1.2328106491 - 4.956719314079 334020.1056707833 1.5862270470 - 2.477685760903 207111.8149712472 1.0658610002 - 2.279946190134 201390.6563645338 1.0159248928 - 3.641777952830 292631.6789339752 1.3094351185 + 1.000000146505 97172.0840967784 0.9280920551 + 2.000000153301 173903.2822482166 0.9761521697 + 3.000000156391 235671.0565032407 1.0375251787 + 4.000000157320 284005.1690782324 1.1130169750 + 5.000000156894 320419.4644303606 1.2031207979 + 3.000000156391 262783.4527262045 0.9493125009 + 1.000000148572 98245.9429621998 0.9159432219 + 2.000000154834 175963.3822716338 0.9518178992 + 3.000000157266 238755.5319642359 1.0009668708 + 4.000000157764 288120.1038089117 1.0642413849 + 3.000000156681 207220.1918126512 1.1292888138 + 3.000000157857 264557.4451840336 0.8973480549 + 1.563224081892 127099.6357675080 1.2149573403 + 2.222017027728 187207.0669600464 1.3433203566 + 3.094258770377 254456.2641889502 1.6691524143 + 3.915507695684 318892.8498922151 2.0727059412 + 3.985848388425 337302.5882721393 1.7502361941 + 3.422991626001 291183.0459495255 1.6188777424 + 1.794778033675 152591.7448578523 1.1049917515 + 2.611188227098 213997.7704490251 1.1799548777 + 3.417021882613 269175.1333009069 1.1656425306 + 2.152855659898 183442.1569771403 1.1444092898 + 2.262837484641 184938.9651860554 1.1549496774 + 2.490497934628 211742.7466726785 1.1783331165 + 1.787582727362 161855.3373302777 1.0157752751 + 3.405353359221 266528.2354356344 1.2328106493 + 4.956719314079 334020.1056650415 1.5862270473 + 2.477685760903 207111.8149561532 1.0658610004 + 2.279946190134 201390.6563524692 1.0159248930 + 3.641777952830 292631.6789329059 1.3094351187 diff --git a/mytest/H2S_71C_101.sel b/mytest/H2S_71C_101.sel index 9e13ab401..4d4c24d40 100644 --- a/mytest/H2S_71C_101.sel +++ b/mytest/H2S_71C_101.sel @@ -1,7 +1,7 @@ Mu SC 0.000000100644 0.0547821292 0.000000100644 0.0547765045 - 0.000000412220 0.3518614401 + 0.000000412220 0.3518614368 0.000498448871 298.4150572592 0.000635543644 362.3884103762 0.000693143650 385.9203058146 diff --git a/mytest/H2S_Amm.out b/mytest/H2S_Amm.out index 2e898ad97..6cb65a1d1 100644 --- a/mytest/H2S_Amm.out +++ b/mytest/H2S_Amm.out @@ -1789,7 +1789,7 @@ H2Sg(g) 1.27 1.882e+01 0.938 0.000e+00 8.504e+00 8.504e+00 Specific Conductance (µS/cm, 180°C) = 230 Density (g/cm³) = 0.88466 Volume (L) = 1.05030 - Viscosity (mPa s) = 0.15087 + Viscosity (mPa s) = 0.15088 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.634e-04 Mass of water (kg) = 9.123e-01 @@ -2337,7 +2337,7 @@ H2Sg(g) 1.58 3.766e+01 0.892 0.000e+00 7.934e+00 7.934e+00 Specific Conductance (µS/cm, 180°C) = 306 Density (g/cm³) = 0.88597 Volume (L) = 1.11983 - Viscosity (mPa s) = 0.15136 + Viscosity (mPa s) = 0.15137 Activity of water = 0.983 Ionic strength (mol/kgw) = 3.639e-04 Mass of water (kg) = 9.558e-01 @@ -2412,7 +2412,7 @@ H2Sg(g) 1.45 2.816e+01 0.923 0.000e+00 8.216e+00 8.216e+00 Specific Conductance (µS/cm, 210°C) = 212 Density (g/cm³) = 0.85023 Volume (L) = 1.07691 - Viscosity (mPa s) = 0.12871 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12870 (solute contributions limited to 200 °C) Activity of water = 0.986 Ionic strength (mol/kgw) = 2.475e-04 Mass of water (kg) = 8.889e-01 @@ -2885,7 +2885,7 @@ H2Sg(g) 1.96 9.111e+01 0.736 0.000e+00 6.444e+00 6.444e+00 Specific Conductance (µS/cm, 150°C) = 476 Density (g/cm³) = 0.92781 Volume (L) = 1.16128 - Viscosity (mPa s) = 0.18506 + Viscosity (mPa s) = 0.18507 Activity of water = 0.964 Ionic strength (mol/kgw) = 6.355e-04 Mass of water (kg) = 9.903e-01 @@ -2960,7 +2960,7 @@ H2Sg(g) 1.93 8.431e+01 0.789 0.000e+00 6.534e+00 6.534e+00 Specific Conductance (µS/cm, 180°C) = 399 Density (g/cm³) = 0.89758 Volume (L) = 1.18537 - Viscosity (mPa s) = 0.15259 + Viscosity (mPa s) = 0.15260 Activity of water = 0.965 Ionic strength (mol/kgw) = 5.111e-04 Mass of water (kg) = 9.799e-01 @@ -3035,7 +3035,7 @@ H2Sg(g) 1.87 7.349e+01 0.836 0.000e+00 6.722e+00 6.722e+00 Specific Conductance (µS/cm, 210°C) = 301 Density (g/cm³) = 0.86139 Volume (L) = 1.20283 - Viscosity (mPa s) = 0.13000 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12998 (solute contributions limited to 200 °C) Activity of water = 0.966 Ionic strength (mol/kgw) = 3.819e-04 Mass of water (kg) = 9.585e-01 @@ -3583,7 +3583,7 @@ H2Sg(g) 2.15 1.405e+02 0.523 0.000e+00 5.975e+00 5.975e+00 Specific Conductance (µS/cm, 120°C) = 529 Density (g/cm³) = 0.95924 Volume (L) = 1.14394 - Viscosity (mPa s) = 0.23601 + Viscosity (mPa s) = 0.23602 Activity of water = 0.959 Ionic strength (mol/kgw) = 7.773e-04 Mass of water (kg) = 9.942e-01 @@ -3733,7 +3733,7 @@ H2Sg(g) 2.11 1.294e+02 0.702 0.000e+00 5.369e+00 5.369e+00 Specific Conductance (µS/cm, 180°C) = 442 Density (g/cm³) = 0.91227 Volume (L) = 1.21659 - Viscosity (mPa s) = 0.15380 + Viscosity (mPa s) = 0.15382 Activity of water = 0.951 Ionic strength (mol/kgw) = 5.937e-04 Mass of water (kg) = 9.861e-01 @@ -3808,7 +3808,7 @@ H2Sg(g) 2.07 1.173e+02 0.764 0.000e+00 5.318e+00 5.318e+00 Specific Conductance (µS/cm, 210°C) = 345 Density (g/cm³) = 0.88004 Volume (L) = 1.25042 - Viscosity (mPa s) = 0.13126 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13124 (solute contributions limited to 200 °C) Activity of water = 0.949 Ionic strength (mol/kgw) = 4.611e-04 Mass of water (kg) = 9.749e-01 @@ -3958,7 +3958,7 @@ H2Sg(g) 1.88 7.652e+01 0.885 0.000e+00 6.049e+00 6.049e+00 Specific Conductance (µS/cm, 270°C) = 164 Density (g/cm³) = 0.78835 Volume (L) = 1.26692 - Viscosity (mPa s) = 0.10064 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.10063 (solute contributions limited to 200 °C) Activity of water = 0.952 Ionic strength (mol/kgw) = 2.288e-04 Mass of water (kg) = 8.982e-01 @@ -4356,7 +4356,7 @@ H2Sg(g) 2.27 1.867e+02 0.434 0.000e+00 5.727e+00 5.727e+00 Specific Conductance (µS/cm, 120°C) = 542 Density (g/cm³) = 0.96403 Volume (L) = 1.14688 - Viscosity (mPa s) = 0.23731 + Viscosity (mPa s) = 0.23732 Activity of water = 0.957 Ionic strength (mol/kgw) = 8.050e-04 Mass of water (kg) = 9.941e-01 @@ -4506,7 +4506,7 @@ H2Sg(g) 2.24 1.725e+02 0.630 0.000e+00 4.498e+00 4.498e+00 Specific Conductance (µS/cm, 180°C) = 465 Density (g/cm³) = 0.92526 Volume (L) = 1.23394 - Viscosity (mPa s) = 0.15501 + Viscosity (mPa s) = 0.15502 Activity of water = 0.941 Ionic strength (mol/kgw) = 6.451e-04 Mass of water (kg) = 9.883e-01 @@ -4581,7 +4581,7 @@ H2Sg(g) 2.20 1.592e+02 0.705 0.000e+00 4.097e+00 4.097e+00 Specific Conductance (µS/cm, 210°C) = 370 Density (g/cm³) = 0.89948 Volume (L) = 1.27783 - Viscosity (mPa s) = 0.13252 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13249 (solute contributions limited to 200 °C) Activity of water = 0.935 Ionic strength (mol/kgw) = 5.148e-04 Mass of water (kg) = 9.823e-01 @@ -4656,7 +4656,7 @@ H2Sg(g) 2.15 1.401e+02 0.773 0.000e+00 3.930e+00 3.930e+00 Specific Conductance (µS/cm, 240°C) = 275 Density (g/cm³) = 0.86764 Volume (L) = 1.31832 - Viscosity (mPa s) = 0.11557 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11556 (solute contributions limited to 200 °C) Activity of water = 0.931 Ionic strength (mol/kgw) = 3.872e-04 Mass of water (kg) = 9.710e-01 @@ -5129,7 +5129,7 @@ H2Sg(g) 2.37 2.330e+02 0.380 0.000e+00 5.509e+00 5.509e+00 Specific Conductance (µS/cm, 120°C) = 552 Density (g/cm³) = 0.96831 Volume (L) = 1.14958 - Viscosity (mPa s) = 0.23860 + Viscosity (mPa s) = 0.23861 Activity of water = 0.954 Ionic strength (mol/kgw) = 8.292e-04 Mass of water (kg) = 9.942e-01 @@ -5279,7 +5279,7 @@ H2Sg(g) 2.33 2.146e+02 0.575 0.000e+00 3.816e+00 3.816e+00 Specific Conductance (µS/cm, 180°C) = 479 Density (g/cm³) = 0.93615 Volume (L) = 1.24595 - Viscosity (mPa s) = 0.15620 + Viscosity (mPa s) = 0.15621 Activity of water = 0.934 Ionic strength (mol/kgw) = 6.818e-04 Mass of water (kg) = 9.897e-01 @@ -5351,10 +5351,10 @@ H2Sg(g) 2.30 1.994e+02 0.658 0.000e+00 3.046e+00 3.046e+00 pH = 3.274 Charge balance pe = 5.132 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 210°C) = 386 + Specific Conductance (µS/cm, 210°C) = 387 Density (g/cm³) = 0.91728 Volume (L) = 1.29719 - Viscosity (mPa s) = 0.13379 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13375 (solute contributions limited to 200 °C) Activity of water = 0.924 Ionic strength (mol/kgw) = 5.545e-04 Mass of water (kg) = 9.870e-01 @@ -6052,7 +6052,7 @@ H2Sg(g) 2.41 2.569e+02 0.534 0.000e+00 3.214e+00 3.214e+00 Specific Conductance (µS/cm, 180°C) = 490 Density (g/cm³) = 0.94562 Volume (L) = 1.25670 - Viscosity (mPa s) = 0.15738 + Viscosity (mPa s) = 0.15739 Activity of water = 0.928 Ionic strength (mol/kgw) = 7.123e-04 Mass of water (kg) = 9.912e-01 @@ -6124,10 +6124,10 @@ H2Sg(g) 2.38 2.393e+02 0.621 0.000e+00 2.093e+00 2.093e+00 pH = 3.249 Charge balance pe = 5.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 210°C) = 397 + Specific Conductance (µS/cm, 210°C) = 398 Density (g/cm³) = 0.93325 Volume (L) = 1.31415 - Viscosity (mPa s) = 0.13519 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13510 (solute contributions limited to 200 °C) Activity of water = 0.914 Ionic strength (mol/kgw) = 5.869e-04 Mass of water (kg) = 9.910e-01 @@ -6525,7 +6525,7 @@ H2Sg(g) 2.50 3.148e+02 0.411 0.000e+00 3.985e+00 3.985e+00 Specific Conductance (µS/cm, 150°C) = 562 Density (g/cm³) = 0.96382 Volume (L) = 1.20764 - Viscosity (mPa s) = 0.19121 + Viscosity (mPa s) = 0.19122 Activity of water = 0.938 Ionic strength (mol/kgw) = 8.346e-04 Mass of water (kg) = 9.930e-01 @@ -6600,7 +6600,7 @@ H2Sg(g) 2.48 2.995e+02 0.502 0.000e+00 2.655e+00 2.655e+00 Specific Conductance (µS/cm, 180°C) = 498 Density (g/cm³) = 0.95394 Volume (L) = 1.26727 - Viscosity (mPa s) = 0.15854 + Viscosity (mPa s) = 0.15855 Activity of water = 0.922 Ionic strength (mol/kgw) = 7.394e-04 Mass of water (kg) = 9.927e-01 @@ -6998,7 +6998,7 @@ H2Sg(g) 2.56 3.599e+02 0.389 0.000e+00 3.672e+00 3.672e+00 Specific Conductance (µS/cm, 150°C) = 569 Density (g/cm³) = 0.96830 Volume (L) = 1.21362 - Viscosity (mPa s) = 0.19241 + Viscosity (mPa s) = 0.19242 Activity of water = 0.934 Ionic strength (mol/kgw) = 8.578e-04 Mass of water (kg) = 9.936e-01 @@ -7073,7 +7073,7 @@ H2Sg(g) 2.53 3.426e+02 0.479 0.000e+00 2.124e+00 2.124e+00 Specific Conductance (µS/cm, 180°C) = 504 Density (g/cm³) = 0.96124 Volume (L) = 1.27805 - Viscosity (mPa s) = 0.15970 + Viscosity (mPa s) = 0.15971 Activity of water = 0.917 Ionic strength (mol/kgw) = 7.645e-04 Mass of water (kg) = 9.942e-01 @@ -7396,7 +7396,7 @@ H2Sg(g) 2.62 4.194e+02 0.287 0.000e+00 4.777e+00 4.777e+00 Specific Conductance (µS/cm, 120°C) = 585 Density (g/cm³) = 0.98143 Volume (L) = 1.16039 - Viscosity (mPa s) = 0.24368 + Viscosity (mPa s) = 0.24369 Activity of water = 0.947 Ionic strength (mol/kgw) = 9.128e-04 Mass of water (kg) = 9.949e-01 @@ -7471,7 +7471,7 @@ H2Sg(g) 2.61 4.051e+02 0.373 0.000e+00 3.378e+00 3.378e+00 Specific Conductance (µS/cm, 150°C) = 575 Density (g/cm³) = 0.97218 Volume (L) = 1.21965 - Viscosity (mPa s) = 0.19360 + Viscosity (mPa s) = 0.19361 Activity of water = 0.932 Ionic strength (mol/kgw) = 8.800e-04 Mass of water (kg) = 9.941e-01 @@ -7546,7 +7546,7 @@ H2Sg(g) 2.59 3.859e+02 0.461 0.000e+00 1.617e+00 1.617e+00 Specific Conductance (µS/cm, 180°C) = 508 Density (g/cm³) = 0.96754 Volume (L) = 1.28905 - Viscosity (mPa s) = 0.16084 + Viscosity (mPa s) = 0.16085 Activity of water = 0.912 Ionic strength (mol/kgw) = 7.882e-04 Mass of water (kg) = 9.956e-01 @@ -8016,10 +8016,10 @@ H2Sg(g) 2.63 4.296e+02 0.447 0.000e+00 1.132e+00 1.132e+00 pH = 3.110 Charge balance pe = 6.342 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 180°C) = 512 + Specific Conductance (µS/cm, 180°C) = 511 Density (g/cm³) = 0.97292 Volume (L) = 1.30030 - Viscosity (mPa s) = 0.16197 + Viscosity (mPa s) = 0.16198 Activity of water = 0.907 Ionic strength (mol/kgw) = 8.107e-04 Mass of water (kg) = 9.970e-01 @@ -8342,7 +8342,7 @@ H2Sg(g) 2.71 5.130e+02 0.270 0.000e+00 4.486e+00 4.486e+00 Specific Conductance (µS/cm, 120°C) = 598 Density (g/cm³) = 0.98590 Volume (L) = 1.16560 - Viscosity (mPa s) = 0.24618 + Viscosity (mPa s) = 0.24619 Activity of water = 0.944 Ionic strength (mol/kgw) = 9.505e-04 Mass of water (kg) = 9.953e-01 @@ -8417,7 +8417,7 @@ H2Sg(g) 2.70 4.960e+02 0.352 0.000e+00 2.845e+00 2.845e+00 Specific Conductance (µS/cm, 150°C) = 585 Density (g/cm³) = 0.97829 Volume (L) = 1.23167 - Viscosity (mPa s) = 0.19596 + Viscosity (mPa s) = 0.19597 Activity of water = 0.926 Ionic strength (mol/kgw) = 9.220e-04 Mass of water (kg) = 9.952e-01 @@ -8492,7 +8492,7 @@ H2Sg(g) 2.68 4.735e+02 0.437 0.000e+00 6.733e-01 6.733e-01 Specific Conductance (µS/cm, 180°C) = 514 Density (g/cm³) = 0.97740 Volume (L) = 1.31165 - Viscosity (mPa s) = 0.16309 + Viscosity (mPa s) = 0.16310 Activity of water = 0.903 Ionic strength (mol/kgw) = 8.324e-04 Mass of water (kg) = 9.982e-01 @@ -8965,7 +8965,7 @@ H2Sg(g) 2.71 5.176e+02 0.429 0.000e+00 2.401e-01 2.401e-01 Specific Conductance (µS/cm, 180°C) = 515 Density (g/cm³) = 0.98103 Volume (L) = 1.32302 - Viscosity (mPa s) = 0.16420 + Viscosity (mPa s) = 0.16421 Activity of water = 0.899 Ionic strength (mol/kgw) = 8.533e-04 Mass of water (kg) = 9.994e-01 @@ -9288,7 +9288,7 @@ H2Sg(g) 2.78 6.070e+02 0.261 0.000e+00 4.245e+00 4.245e+00 Specific Conductance (µS/cm, 120°C) = 610 Density (g/cm³) = 0.98929 Volume (L) = 1.17023 - Viscosity (mPa s) = 0.24866 + Viscosity (mPa s) = 0.24867 Activity of water = 0.941 Ionic strength (mol/kgw) = 9.868e-04 Mass of water (kg) = 9.957e-01 @@ -9761,7 +9761,7 @@ H2Sg(g) 2.80 6.334e+02 0.337 0.000e+00 2.191e+00 2.191e+00 Specific Conductance (µS/cm, 150°C) = 596 Density (g/cm³) = 0.98395 Volume (L) = 1.24849 - Viscosity (mPa s) = 0.19944 + Viscosity (mPa s) = 0.19945 Activity of water = 0.919 Ionic strength (mol/kgw) = 9.811e-04 Mass of water (kg) = 9.964e-01 @@ -10084,7 +10084,7 @@ H2Sg(g) 2.85 7.013e+02 0.258 0.000e+00 4.057e+00 4.057e+00 Specific Conductance (µS/cm, 120°C) = 622 Density (g/cm³) = 0.99186 Volume (L) = 1.17396 - Viscosity (mPa s) = 0.25113 + Viscosity (mPa s) = 0.25114 Activity of water = 0.939 Ionic strength (mol/kgw) = 1.022e-03 Mass of water (kg) = 9.959e-01 @@ -10159,7 +10159,7 @@ H2Sg(g) 2.83 6.795e+02 0.336 0.000e+00 2.015e+00 2.015e+00 Specific Conductance (µS/cm, 150°C) = 600 Density (g/cm³) = 0.98510 Volume (L) = 1.25350 - Viscosity (mPa s) = 0.20059 + Viscosity (mPa s) = 0.20060 Activity of water = 0.918 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 9.968e-01 @@ -10482,7 +10482,7 @@ H2Sg(g) 2.87 7.485e+02 0.258 0.000e+00 3.982e+00 3.982e+00 Specific Conductance (µS/cm, 120°C) = 628 Density (g/cm³) = 0.99292 Volume (L) = 1.17540 - Viscosity (mPa s) = 0.25235 + Viscosity (mPa s) = 0.25236 Activity of water = 0.938 Ionic strength (mol/kgw) = 1.039e-03 Mass of water (kg) = 9.961e-01 @@ -10557,7 +10557,7 @@ H2Sg(g) 2.86 7.257e+02 0.335 0.000e+00 1.859e+00 1.859e+00 Specific Conductance (µS/cm, 150°C) = 603 Density (g/cm³) = 0.98595 Volume (L) = 1.25809 - Viscosity (mPa s) = 0.20173 + Viscosity (mPa s) = 0.20174 Activity of water = 0.916 Ionic strength (mol/kgw) = 1.019e-03 Mass of water (kg) = 9.971e-01 @@ -10880,7 +10880,7 @@ H2Sg(g) 2.93 8.432e+02 0.259 0.000e+00 3.869e+00 3.869e+00 Specific Conductance (µS/cm, 120°C) = 640 Density (g/cm³) = 0.99473 Volume (L) = 1.17734 - Viscosity (mPa s) = 0.25479 + Viscosity (mPa s) = 0.25480 Activity of water = 0.936 Ionic strength (mol/kgw) = 1.073e-03 Mass of water (kg) = 9.963e-01 @@ -10955,7 +10955,7 @@ H2Sg(g) 2.91 8.184e+02 0.337 0.000e+00 1.610e+00 1.610e+00 Specific Conductance (µS/cm, 150°C) = 611 Density (g/cm³) = 0.98697 Volume (L) = 1.26586 - Viscosity (mPa s) = 0.20399 + Viscosity (mPa s) = 0.20400 Activity of water = 0.913 Ionic strength (mol/kgw) = 1.055e-03 Mass of water (kg) = 9.975e-01 @@ -11353,7 +11353,7 @@ H2Sg(g) 2.96 9.115e+02 0.341 0.000e+00 1.440e+00 1.440e+00 Specific Conductance (µS/cm, 150°C) = 619 Density (g/cm³) = 0.98740 Volume (L) = 1.27150 - Viscosity (mPa s) = 0.20624 + Viscosity (mPa s) = 0.20625 Activity of water = 0.910 Ionic strength (mol/kgw) = 1.090e-03 Mass of water (kg) = 9.979e-01 @@ -11859,7 +11859,7 @@ Reaction 1. Specific Conductance (µS/cm, 200°C) = 149 Density (g/cm³) = 0.87573 Volume (L) = 1.15179 - Viscosity (mPa s) = 0.13876 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13880 (solute contributions limited to 200 °C) Activity of water = 0.996 Ionic strength (mol/kgw) = 1.655e-04 Mass of water (kg) = 1.000e+00 @@ -12236,7 +12236,7 @@ Reaction 1. pH = 3.532 Charge balance pe = 3.611 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 224 + Specific Conductance (µS/cm, 100°C) = 223 Density (g/cm³) = 0.97303 Volume (L) = 1.03647 Viscosity (mPa s) = 0.29094 @@ -12391,7 +12391,7 @@ Reaction 1. Specific Conductance (µS/cm, 200°C) = 157 Density (g/cm³) = 0.88601 Volume (L) = 1.13839 - Viscosity (mPa s) = 0.14240 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14241 (solute contributions limited to 200 °C) Activity of water = 0.996 Ionic strength (mol/kgw) = 1.748e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/H2S_Amm_101.sel b/mytest/H2S_Amm_101.sel index e0c306792..42e8e605d 100644 --- a/mytest/H2S_Amm_101.sel +++ b/mytest/H2S_Amm_101.sel @@ -12,150 +12,150 @@ 0.000106863590 52.6822271154 0.000104383103 56.9973776588 0.000099329904 59.1969538416 - 0.000090998752 58.4815092424 - 0.000078148161 53.6179284595 - 0.000057814592 41.9937717496 - 0.000045586030 33.8087626192 + 0.000090998752 58.4814296904 + 0.000078148161 53.6178562162 + 0.000057814592 41.9937227291 + 0.000045586030 33.8087293330 0.000529141609 198.9408091309 0.000551578732 296.3882521926 0.000525406736 351.2332189282 - 0.000460419257 353.0254521349 - 0.000369144215 307.8696510277 - 0.000263434742 230.6329539366 - 0.000149211997 134.1165787226 + 0.000460419257 353.0196930991 + 0.000369144215 307.8613545269 + 0.000263434742 230.6159547184 + 0.000149211997 134.1221549981 0.000479356259 186.1732871319 0.000659607946 338.8260633025 0.000644303985 413.6931029351 - 0.000577741083 426.5322290602 - 0.000478517744 384.3568260886 - 0.000363936738 306.2086203306 - 0.000247460388 212.3974341291 - 0.000134548583 116.5962915802 + 0.000577741083 426.5234441593 + 0.000478517744 384.3435093900 + 0.000363936738 306.1792826106 + 0.000247460388 212.4131600094 + 0.000134548583 116.5981274380 0.000489175561 190.5376884187 0.000645658452 335.8993509341 0.000738698112 457.7674105327 - 0.000731273374 507.6892782097 - 0.000635521635 476.8283572873 - 0.000511141031 399.4401073308 - 0.000381944367 301.7553356385 - 0.000262742167 205.9045637469 - 0.000160093236 122.8915033167 - 0.000083650926 63.6693086512 + 0.000731273374 507.6758304289 + 0.000635521635 476.8067972562 + 0.000511141031 399.3929162915 + 0.000381944367 301.7971628383 + 0.000262742167 205.9113298583 + 0.000160093236 122.8931572149 + 0.000083650926 63.6696785269 0.000498746639 194.7790042693 0.000660111704 343.0269158806 0.000760367567 468.5452635218 - 0.000777332145 529.4608177231 - 0.000711612240 513.8621148346 - 0.000593728168 442.1369010684 - 0.000461142848 345.0233946890 - 0.000335732748 248.0451410587 - 0.000228830447 164.1244678677 - 0.000143884205 99.1704809764 + 0.000777332145 529.4456756006 + 0.000711612240 513.8364844776 + 0.000593728168 442.0824551992 + 0.000461142848 345.0960999410 + 0.000335732748 248.0563025858 + 0.000228830447 164.1277521138 + 0.000143884205 99.1714703488 0.000508158209 198.9319159528 0.000674017438 349.8124305654 0.000780062224 478.1455064936 - 0.000805026008 542.2865838447 - 0.000752394518 531.9005006245 - 0.000645093085 465.1799459214 - 0.000514814143 370.5569320824 - 0.000387224340 275.3794514451 - 0.000277314158 193.2684841569 - 0.000192195155 133.2736776716 + 0.000805026008 542.2702845214 + 0.000752394518 531.8728201328 + 0.000645093085 465.1232367422 + 0.000514814143 370.6736388222 + 0.000387224340 275.3948436741 + 0.000277314158 193.2733692578 + 0.000192195155 133.2755018167 0.000517407236 202.9936535779 0.000687473289 356.3032421501 0.000798546266 486.9354164137 - 0.000829226477 552.9749346441 - 0.000783053612 544.4022392844 - 0.000681821307 479.7694273317 - 0.000554489813 386.9847817493 - 0.000426631113 294.8683047994 - 0.000315193278 217.1775193521 - 0.000229849711 169.4568576992 + 0.000829226477 552.9575775074 + 0.000783053612 544.3731045784 + 0.000681821307 479.7124169227 + 0.000554489813 387.1806091914 + 0.000426631113 294.8879681017 + 0.000315193278 217.1840377001 + 0.000229849711 169.4597104271 0.000526557259 206.9927249172 0.000700630939 362.5802100334 0.000816264977 495.1513050298 - 0.000851644002 562.3676700552 - 0.000809920814 554.3663077965 - 0.000712298405 490.3048601518 - 0.000586896984 397.7315599726 + 0.000851644002 562.3493050965 + 0.000809920814 554.3359544276 + 0.000712298405 490.2481972502 + 0.000586896984 398.1413465700 0.000535591140 210.9235199366 0.000713503327 368.6614443511 0.000833353503 502.8907357812 - 0.000872813264 570.7799376874 - 0.000834573349 562.6063722236 - 0.000739421662 498.2385513373 + 0.000872813264 570.7606016570 + 0.000834573349 562.5749427510 + 0.000739421662 498.1824599139 0.000544561274 214.8114614668 0.000726190711 374.6085004946 0.000850012970 510.2842612943 - 0.000893149701 578.4675127519 - 0.000857831700 569.5799876012 - 0.000764537127 504.2661575356 + 0.000893149701 578.4472288607 + 0.000857831700 569.5475763427 + 0.000764537127 504.2107156496 0.000553444017 218.6492449321 0.000738677841 380.4292754246 0.000866266265 517.3829296338 - 0.000912771181 585.5635070516 - 0.000879986613 575.5377083688 - 0.000788154928 508.7607064721 + 0.000912771181 585.5422958051 + 0.000879986613 575.5043880466 + 0.000788154928 508.7059282159 0.000562285849 222.4599097388 0.000751043546 386.1755546048 0.000882245062 524.2849345217 - 0.000931891198 592.2309395784 - 0.000901363894 580.7192555762 - 0.000810722541 512.0357206408 + 0.000931891198 592.2088125533 + 0.000901363894 580.6850774861 + 0.000810722541 511.9815930023 0.000571059671 226.2344821467 0.000763260172 391.8487460655 0.000897934195 531.0226722708 - 0.000950527112 598.5573286921 - 0.000922033770 585.2837480938 - 0.000832370777 514.3233570408 + 0.000950527112 598.5342967347 + 0.000922033770 585.2487533303 + 0.000832370777 514.2698476691 0.000579790788 229.9861354442 0.000775371104 397.4819968394 0.000913404834 537.6631335956 - 0.000968788417 604.6565922829 - 0.000942151167 589.3992063465 - 0.000853297420 515.8472317558 + 0.000968788417 604.6326603561 + 0.000942151167 589.3634228970 + 0.000853297420 515.7942988225 0.000588503098 233.7268171364 0.000787415723 403.1050430981 0.000928718600 544.2658404684 - 0.000986765298 610.6288940237 - 0.000961837796 593.2121077814 + 0.000986765298 610.6040615293 + 0.000961837796 593.1755522879 0.000597166786 237.4447364058 0.000799357958 408.7105161065 0.000943838645 550.8440890459 - 0.001004427843 616.5277473306 - 0.000981077376 596.8307490727 + 0.001004427843 616.5020138003 + 0.000981077376 596.7934326192 0.000605821778 241.1572981659 0.000811257084 414.3336669465 0.000958847229 557.4587521069 - 0.001021882513 622.4450833824 - 0.000999998343 600.3795472226 + 0.001021882513 622.4184413808 + 0.000999998343 600.3414700176 0.000614437231 244.8507737956 0.000823074213 419.9613822879 0.000973701147 564.1114602916 - 0.001039087284 628.4154091515 - 0.001018564891 603.9400271248 + 0.001039087284 628.3878518360 + 0.001018564891 603.9011854898 0.000631634040 252.2108734977 0.000846589891 431.3013525703 0.001003123852 577.6716258599 - 0.001072980215 640.7531968268 - 0.001054916763 611.4447342102 + 0.001072980215 640.7237697733 + 0.001054916763 611.4043222192 0.000648804040 259.5224861787 0.000869958586 442.7563050210 0.001032204003 591.6484922265 - 0.001106260266 653.8394084440 - 0.001090347172 619.8659133877 + 0.001106260266 653.8080458220 + 0.001090347172 619.8238439569 0.000163736376 66.1569861391 0.000177232288 72.9488399379 0.000238898076 129.5857394088 - 0.000289631863 215.7004510809 - 0.000245694398 211.9254808229 - 0.000165472630 149.6760766133 - 0.000098546926 86.5518677664 - 0.000055641408 44.5046510079 + 0.000289631863 215.6987792499 + 0.000245694398 211.9218596475 + 0.000165472630 149.6099031522 + 0.000098546926 86.5528761534 + 0.000055641408 44.5048250755 0.000182179467 76.0502701510 0.000247406781 135.1340312034 - 0.000300643810 224.0000655057 - 0.000256967093 221.1961121622 - 0.000174846815 157.6417982394 - 0.000106838710 94.0500085590 - 0.000061965146 50.3817157120 + 0.000300643810 223.9981405385 + 0.000256967093 221.1922875804 + 0.000174846815 157.6271843488 + 0.000106838710 94.0514608267 + 0.000061965146 50.3819553167 diff --git a/mytest/H2S_NaCl_Na2SO4.out b/mytest/H2S_NaCl_Na2SO4.out index 62f2f7300..8e440d4aa 100644 --- a/mytest/H2S_NaCl_Na2SO4.out +++ b/mytest/H2S_NaCl_Na2SO4.out @@ -9240,7 +9240,7 @@ H2Sg(g) 1.69 4.908e+01 0.819 0.000e+00 1.940e-02 1.940e-02 Specific Conductance (µS/cm, 120°C) = 437 Density (g/cm³) = 0.94161 Volume (L) = 1.11714 - Viscosity (mPa s) = 0.23207 + Viscosity (mPa s) = 0.23208 Activity of water = 0.977 Ionic strength (mol/kgw) = 5.895e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/H2S_NaCl_Na2SO4_101.sel b/mytest/H2S_NaCl_Na2SO4_101.sel index 6f8078507..15f1cb639 100644 --- a/mytest/H2S_NaCl_Na2SO4_101.sel +++ b/mytest/H2S_NaCl_Na2SO4_101.sel @@ -27,29 +27,29 @@ 5.953841839639 309809.6293315983 5.953743238300 306584.6911498753 5.953711200263 304921.4424560677 - 0.000587592205 436.1010115595 - 0.000560024111 419.6890632670 - 0.000529934103 401.1654838350 - 0.000496729002 380.0100294920 - 0.000459556823 355.4763234208 - 0.000417119146 326.4288509532 - 0.000367259063 290.9873997181 - 0.000305868143 245.5910204085 - 0.000222797857 181.5280633453 - 0.000053132803 44.1004453734 - 4.053793722708 620638.2723890358 - 4.018186881098 606790.6468125533 - 4.018134134080 606723.5108439175 - 4.011862641592 591344.4337325168 - 4.009833680908 577491.0232641796 - 4.009226167164 570712.3572431736 - 4.008916710582 566411.4880114446 - 6.253330354816 734784.3028024192 - 5.982397223119 718279.4955381510 - 5.965706777162 708095.5885032498 - 5.965694103773 708079.6161508739 - 5.960849068926 699062.6386215404 - 5.958938742789 692554.9767339132 + 0.000587592205 436.0965728701 + 0.000560024111 419.6849992948 + 0.000529934103 401.1618142785 + 0.000496729002 380.0067766747 + 0.000459556823 355.4735128315 + 0.000417119146 326.4265119671 + 0.000367259063 290.9855665742 + 0.000305868143 245.5897335419 + 0.000222797857 181.5273711456 + 0.000053132803 44.1004051954 + 4.053793722708 620638.2722176585 + 4.018186881098 606790.6467254016 + 4.018134134080 606723.5107569543 + 4.011862641592 591344.4336720449 + 4.009833680908 577491.0232149776 + 4.009226167164 570712.3571976889 + 4.008916710582 566411.4879678848 + 6.253330354816 734784.3025231451 + 5.982397223119 718279.4954443149 + 5.965706777162 708095.5884396350 + 5.965694103773 708079.6160872878 + 5.960849068926 699062.6385700736 + 5.958938742789 692554.9766881003 5.956562994174 678213.2179519890 5.955861637482 670683.7524856128 0.000470627507 167.4861590338 @@ -81,26 +81,26 @@ 2.848357604300 115601.3130494859 2.848088811951 114806.7327299141 2.847832145840 113933.0842996386 - 0.000651640736 472.0914537541 - 0.000621958408 455.7893521017 - 0.000589465909 437.1966893005 - 0.000553496181 415.7238994270 - 0.000513078904 390.5186390669 - 0.000466723312 360.2740728772 - 0.000411936554 322.8091332351 - 0.000343940102 273.9602099333 - 0.000250851027 203.4648286933 - 0.000053132803 44.1004453364 - 1.487916313766 196392.3801704408 - 1.477719953406 192163.5942361018 - 1.471542782598 185649.4363434269 - 1.468533287607 179998.9471236799 - 1.465592273849 172000.1650085385 - 2.880015976018 333942.5374622968 - 2.853639614339 326093.3822508391 - 2.853073718841 325718.2357396994 - 2.844239317761 315763.7954921953 - 2.840868414334 308206.4092490051 - 2.840665366734 307626.9642148637 - 2.838365986716 299258.3656544993 - 2.838027558809 297514.5323770238 + 0.000651640736 472.0860975420 + 0.000621958408 455.7844291234 + 0.000589465909 437.1922246918 + 0.000553496181 415.7199223360 + 0.000513078904 390.5151835377 + 0.000466723312 360.2711790937 + 0.000411936554 322.8068493081 + 0.000343940102 273.9585945350 + 0.000250851027 203.4639549671 + 0.000053132803 44.1004051584 + 1.487916313766 196392.3789365449 + 1.477719953406 192163.5933778436 + 1.471542782598 185649.4357175267 + 1.468533287607 179998.9465933291 + 1.465592273849 172000.1645571801 + 2.880015976018 333942.5352061007 + 2.853639614339 326093.3809192901 + 2.853073718841 325718.2344309873 + 2.844239317761 315763.7945401847 + 2.840868414334 308206.4084277842 + 2.840665366734 307626.9634014613 + 2.838365986716 299258.3649317633 + 2.838027558809 297514.5316688234 diff --git a/mytest/H2S_numerical.out b/mytest/H2S_numerical.out index a6d02c438..fbeb21cb1 100644 --- a/mytest/H2S_numerical.out +++ b/mytest/H2S_numerical.out @@ -1827,7 +1827,7 @@ H2Sg(g) 1.27 1.882e+01 0.938 0.000e+00 8.504e+00 8.504e+00 Specific Conductance (µS/cm, 180°C) = 230 Density (g/cm³) = 0.88466 Volume (L) = 1.05030 - Viscosity (mPa s) = 0.15087 + Viscosity (mPa s) = 0.15088 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.634e-04 Mass of water (kg) = 9.123e-01 @@ -2387,7 +2387,7 @@ H2Sg(g) 1.58 3.766e+01 0.892 0.000e+00 7.934e+00 7.934e+00 Specific Conductance (µS/cm, 180°C) = 306 Density (g/cm³) = 0.88597 Volume (L) = 1.11983 - Viscosity (mPa s) = 0.15136 + Viscosity (mPa s) = 0.15137 Activity of water = 0.983 Ionic strength (mol/kgw) = 3.639e-04 Mass of water (kg) = 9.558e-01 @@ -2462,7 +2462,7 @@ H2Sg(g) 1.45 2.816e+01 0.923 0.000e+00 8.216e+00 8.216e+00 Specific Conductance (µS/cm, 210°C) = 212 Density (g/cm³) = 0.85023 Volume (L) = 1.07691 - Viscosity (mPa s) = 0.12871 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12870 (solute contributions limited to 200 °C) Activity of water = 0.986 Ionic strength (mol/kgw) = 2.475e-04 Mass of water (kg) = 8.889e-01 @@ -2941,7 +2941,7 @@ H2Sg(g) 1.96 9.111e+01 0.736 0.000e+00 6.444e+00 6.444e+00 Specific Conductance (µS/cm, 150°C) = 476 Density (g/cm³) = 0.92781 Volume (L) = 1.16128 - Viscosity (mPa s) = 0.18506 + Viscosity (mPa s) = 0.18507 Activity of water = 0.964 Ionic strength (mol/kgw) = 6.355e-04 Mass of water (kg) = 9.903e-01 @@ -3016,7 +3016,7 @@ H2Sg(g) 1.93 8.431e+01 0.789 0.000e+00 6.534e+00 6.534e+00 Specific Conductance (µS/cm, 180°C) = 399 Density (g/cm³) = 0.89758 Volume (L) = 1.18537 - Viscosity (mPa s) = 0.15259 + Viscosity (mPa s) = 0.15260 Activity of water = 0.965 Ionic strength (mol/kgw) = 5.111e-04 Mass of water (kg) = 9.799e-01 @@ -3091,7 +3091,7 @@ H2Sg(g) 1.87 7.349e+01 0.836 0.000e+00 6.722e+00 6.722e+00 Specific Conductance (µS/cm, 210°C) = 301 Density (g/cm³) = 0.86139 Volume (L) = 1.20283 - Viscosity (mPa s) = 0.13000 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12998 (solute contributions limited to 200 °C) Activity of water = 0.966 Ionic strength (mol/kgw) = 3.819e-04 Mass of water (kg) = 9.585e-01 @@ -3645,7 +3645,7 @@ H2Sg(g) 2.15 1.405e+02 0.523 0.000e+00 5.975e+00 5.975e+00 Specific Conductance (µS/cm, 120°C) = 529 Density (g/cm³) = 0.95924 Volume (L) = 1.14394 - Viscosity (mPa s) = 0.23601 + Viscosity (mPa s) = 0.23602 Activity of water = 0.959 Ionic strength (mol/kgw) = 7.773e-04 Mass of water (kg) = 9.942e-01 @@ -3795,7 +3795,7 @@ H2Sg(g) 2.11 1.294e+02 0.702 0.000e+00 5.369e+00 5.369e+00 Specific Conductance (µS/cm, 180°C) = 442 Density (g/cm³) = 0.91227 Volume (L) = 1.21659 - Viscosity (mPa s) = 0.15380 + Viscosity (mPa s) = 0.15382 Activity of water = 0.951 Ionic strength (mol/kgw) = 5.937e-04 Mass of water (kg) = 9.861e-01 @@ -3870,7 +3870,7 @@ H2Sg(g) 2.07 1.173e+02 0.764 0.000e+00 5.318e+00 5.318e+00 Specific Conductance (µS/cm, 210°C) = 345 Density (g/cm³) = 0.88004 Volume (L) = 1.25042 - Viscosity (mPa s) = 0.13126 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13124 (solute contributions limited to 200 °C) Activity of water = 0.949 Ionic strength (mol/kgw) = 4.611e-04 Mass of water (kg) = 9.749e-01 @@ -4020,7 +4020,7 @@ H2Sg(g) 1.88 7.652e+01 0.885 0.000e+00 6.049e+00 6.049e+00 Specific Conductance (µS/cm, 270°C) = 164 Density (g/cm³) = 0.78835 Volume (L) = 1.26692 - Viscosity (mPa s) = 0.10064 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.10063 (solute contributions limited to 200 °C) Activity of water = 0.952 Ionic strength (mol/kgw) = 2.288e-04 Mass of water (kg) = 8.982e-01 @@ -4418,7 +4418,7 @@ H2Sg(g) 2.27 1.867e+02 0.434 0.000e+00 5.727e+00 5.727e+00 Specific Conductance (µS/cm, 120°C) = 542 Density (g/cm³) = 0.96403 Volume (L) = 1.14688 - Viscosity (mPa s) = 0.23731 + Viscosity (mPa s) = 0.23732 Activity of water = 0.957 Ionic strength (mol/kgw) = 8.050e-04 Mass of water (kg) = 9.941e-01 @@ -4568,7 +4568,7 @@ H2Sg(g) 2.24 1.725e+02 0.630 0.000e+00 4.498e+00 4.498e+00 Specific Conductance (µS/cm, 180°C) = 465 Density (g/cm³) = 0.92526 Volume (L) = 1.23394 - Viscosity (mPa s) = 0.15501 + Viscosity (mPa s) = 0.15502 Activity of water = 0.941 Ionic strength (mol/kgw) = 6.451e-04 Mass of water (kg) = 9.883e-01 @@ -4643,7 +4643,7 @@ H2Sg(g) 2.20 1.592e+02 0.705 0.000e+00 4.097e+00 4.097e+00 Specific Conductance (µS/cm, 210°C) = 370 Density (g/cm³) = 0.89948 Volume (L) = 1.27783 - Viscosity (mPa s) = 0.13252 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13249 (solute contributions limited to 200 °C) Activity of water = 0.935 Ionic strength (mol/kgw) = 5.148e-04 Mass of water (kg) = 9.823e-01 @@ -4718,7 +4718,7 @@ H2Sg(g) 2.15 1.401e+02 0.773 0.000e+00 3.930e+00 3.930e+00 Specific Conductance (µS/cm, 240°C) = 275 Density (g/cm³) = 0.86764 Volume (L) = 1.31832 - Viscosity (mPa s) = 0.11557 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11556 (solute contributions limited to 200 °C) Activity of water = 0.931 Ionic strength (mol/kgw) = 3.872e-04 Mass of water (kg) = 9.710e-01 @@ -5203,7 +5203,7 @@ H2Sg(g) 2.37 2.330e+02 0.380 0.000e+00 5.509e+00 5.509e+00 Specific Conductance (µS/cm, 120°C) = 552 Density (g/cm³) = 0.96831 Volume (L) = 1.14958 - Viscosity (mPa s) = 0.23860 + Viscosity (mPa s) = 0.23861 Activity of water = 0.954 Ionic strength (mol/kgw) = 8.292e-04 Mass of water (kg) = 9.942e-01 @@ -5353,7 +5353,7 @@ H2Sg(g) 2.33 2.146e+02 0.575 0.000e+00 3.816e+00 3.816e+00 Specific Conductance (µS/cm, 180°C) = 479 Density (g/cm³) = 0.93615 Volume (L) = 1.24595 - Viscosity (mPa s) = 0.15620 + Viscosity (mPa s) = 0.15621 Activity of water = 0.934 Ionic strength (mol/kgw) = 6.818e-04 Mass of water (kg) = 9.897e-01 @@ -5425,10 +5425,10 @@ H2Sg(g) 2.30 1.994e+02 0.658 0.000e+00 3.046e+00 3.046e+00 pH = 3.274 Charge balance pe = 1.608 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 210°C) = 386 + Specific Conductance (µS/cm, 210°C) = 387 Density (g/cm³) = 0.91728 Volume (L) = 1.29719 - Viscosity (mPa s) = 0.13379 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13375 (solute contributions limited to 200 °C) Activity of water = 0.924 Ionic strength (mol/kgw) = 5.545e-04 Mass of water (kg) = 9.870e-01 @@ -6144,7 +6144,7 @@ H2Sg(g) 2.41 2.569e+02 0.534 0.000e+00 3.214e+00 3.214e+00 Specific Conductance (µS/cm, 180°C) = 490 Density (g/cm³) = 0.94562 Volume (L) = 1.25670 - Viscosity (mPa s) = 0.15738 + Viscosity (mPa s) = 0.15739 Activity of water = 0.928 Ionic strength (mol/kgw) = 7.123e-04 Mass of water (kg) = 9.912e-01 @@ -6216,10 +6216,10 @@ H2Sg(g) 2.38 2.393e+02 0.621 0.000e+00 2.093e+00 2.093e+00 pH = 3.249 Charge balance pe = 1.472 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 210°C) = 397 + Specific Conductance (µS/cm, 210°C) = 398 Density (g/cm³) = 0.93325 Volume (L) = 1.31415 - Viscosity (mPa s) = 0.13519 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13510 (solute contributions limited to 200 °C) Activity of water = 0.914 Ionic strength (mol/kgw) = 5.869e-04 Mass of water (kg) = 9.910e-01 @@ -6623,7 +6623,7 @@ H2Sg(g) 2.50 3.148e+02 0.411 0.000e+00 3.985e+00 3.985e+00 Specific Conductance (µS/cm, 150°C) = 562 Density (g/cm³) = 0.96382 Volume (L) = 1.20764 - Viscosity (mPa s) = 0.19121 + Viscosity (mPa s) = 0.19122 Activity of water = 0.938 Ionic strength (mol/kgw) = 8.346e-04 Mass of water (kg) = 9.930e-01 @@ -6698,7 +6698,7 @@ H2Sg(g) 2.48 2.995e+02 0.502 0.000e+00 2.655e+00 2.655e+00 Specific Conductance (µS/cm, 180°C) = 498 Density (g/cm³) = 0.95394 Volume (L) = 1.26727 - Viscosity (mPa s) = 0.15854 + Viscosity (mPa s) = 0.15855 Activity of water = 0.922 Ionic strength (mol/kgw) = 7.394e-04 Mass of water (kg) = 9.927e-01 @@ -7096,7 +7096,7 @@ H2Sg(g) 2.56 3.599e+02 0.389 0.000e+00 3.672e+00 3.672e+00 Specific Conductance (µS/cm, 150°C) = 569 Density (g/cm³) = 0.96830 Volume (L) = 1.21362 - Viscosity (mPa s) = 0.19241 + Viscosity (mPa s) = 0.19242 Activity of water = 0.934 Ionic strength (mol/kgw) = 8.578e-04 Mass of water (kg) = 9.936e-01 @@ -7171,7 +7171,7 @@ H2Sg(g) 2.53 3.426e+02 0.479 0.000e+00 2.124e+00 2.124e+00 Specific Conductance (µS/cm, 180°C) = 504 Density (g/cm³) = 0.96124 Volume (L) = 1.27805 - Viscosity (mPa s) = 0.15970 + Viscosity (mPa s) = 0.15971 Activity of water = 0.917 Ionic strength (mol/kgw) = 7.645e-04 Mass of water (kg) = 9.942e-01 @@ -7494,7 +7494,7 @@ H2Sg(g) 2.62 4.194e+02 0.287 0.000e+00 4.777e+00 4.777e+00 Specific Conductance (µS/cm, 120°C) = 585 Density (g/cm³) = 0.98143 Volume (L) = 1.16039 - Viscosity (mPa s) = 0.24368 + Viscosity (mPa s) = 0.24369 Activity of water = 0.947 Ionic strength (mol/kgw) = 9.128e-04 Mass of water (kg) = 9.949e-01 @@ -7569,7 +7569,7 @@ H2Sg(g) 2.61 4.051e+02 0.373 0.000e+00 3.378e+00 3.378e+00 Specific Conductance (µS/cm, 150°C) = 575 Density (g/cm³) = 0.97218 Volume (L) = 1.21965 - Viscosity (mPa s) = 0.19360 + Viscosity (mPa s) = 0.19361 Activity of water = 0.932 Ionic strength (mol/kgw) = 8.800e-04 Mass of water (kg) = 9.941e-01 @@ -7644,7 +7644,7 @@ H2Sg(g) 2.59 3.859e+02 0.461 0.000e+00 1.617e+00 1.617e+00 Specific Conductance (µS/cm, 180°C) = 508 Density (g/cm³) = 0.96754 Volume (L) = 1.28905 - Viscosity (mPa s) = 0.16084 + Viscosity (mPa s) = 0.16085 Activity of water = 0.912 Ionic strength (mol/kgw) = 7.882e-04 Mass of water (kg) = 9.956e-01 @@ -8120,10 +8120,10 @@ H2Sg(g) 2.63 4.296e+02 0.447 0.000e+00 1.132e+00 1.132e+00 pH = 3.110 Charge balance pe = 7.263 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 180°C) = 512 + Specific Conductance (µS/cm, 180°C) = 511 Density (g/cm³) = 0.97292 Volume (L) = 1.30030 - Viscosity (mPa s) = 0.16197 + Viscosity (mPa s) = 0.16198 Activity of water = 0.907 Ionic strength (mol/kgw) = 8.107e-04 Mass of water (kg) = 9.970e-01 @@ -8446,7 +8446,7 @@ H2Sg(g) 2.71 5.130e+02 0.270 0.000e+00 4.486e+00 4.486e+00 Specific Conductance (µS/cm, 120°C) = 598 Density (g/cm³) = 0.98590 Volume (L) = 1.16560 - Viscosity (mPa s) = 0.24618 + Viscosity (mPa s) = 0.24619 Activity of water = 0.944 Ionic strength (mol/kgw) = 9.505e-04 Mass of water (kg) = 9.953e-01 @@ -8521,7 +8521,7 @@ H2Sg(g) 2.70 4.960e+02 0.352 0.000e+00 2.845e+00 2.845e+00 Specific Conductance (µS/cm, 150°C) = 585 Density (g/cm³) = 0.97829 Volume (L) = 1.23167 - Viscosity (mPa s) = 0.19596 + Viscosity (mPa s) = 0.19597 Activity of water = 0.926 Ionic strength (mol/kgw) = 9.220e-04 Mass of water (kg) = 9.952e-01 @@ -8596,7 +8596,7 @@ H2Sg(g) 2.68 4.735e+02 0.437 0.000e+00 6.733e-01 6.733e-01 Specific Conductance (µS/cm, 180°C) = 514 Density (g/cm³) = 0.97740 Volume (L) = 1.31165 - Viscosity (mPa s) = 0.16309 + Viscosity (mPa s) = 0.16310 Activity of water = 0.903 Ionic strength (mol/kgw) = 8.324e-04 Mass of water (kg) = 9.982e-01 @@ -9075,7 +9075,7 @@ H2Sg(g) 2.71 5.176e+02 0.429 0.000e+00 2.401e-01 2.401e-01 Specific Conductance (µS/cm, 180°C) = 515 Density (g/cm³) = 0.98103 Volume (L) = 1.32302 - Viscosity (mPa s) = 0.16420 + Viscosity (mPa s) = 0.16421 Activity of water = 0.899 Ionic strength (mol/kgw) = 8.533e-04 Mass of water (kg) = 9.994e-01 @@ -9398,7 +9398,7 @@ H2Sg(g) 2.78 6.070e+02 0.261 0.000e+00 4.245e+00 4.245e+00 Specific Conductance (µS/cm, 120°C) = 610 Density (g/cm³) = 0.98929 Volume (L) = 1.17023 - Viscosity (mPa s) = 0.24866 + Viscosity (mPa s) = 0.24867 Activity of water = 0.941 Ionic strength (mol/kgw) = 9.868e-04 Mass of water (kg) = 9.957e-01 @@ -9877,7 +9877,7 @@ H2Sg(g) 2.80 6.334e+02 0.337 0.000e+00 2.191e+00 2.191e+00 Specific Conductance (µS/cm, 150°C) = 596 Density (g/cm³) = 0.98395 Volume (L) = 1.24849 - Viscosity (mPa s) = 0.19944 + Viscosity (mPa s) = 0.19945 Activity of water = 0.919 Ionic strength (mol/kgw) = 9.811e-04 Mass of water (kg) = 9.964e-01 @@ -10206,7 +10206,7 @@ H2Sg(g) 2.85 7.013e+02 0.258 0.000e+00 4.057e+00 4.057e+00 Specific Conductance (µS/cm, 120°C) = 622 Density (g/cm³) = 0.99186 Volume (L) = 1.17396 - Viscosity (mPa s) = 0.25113 + Viscosity (mPa s) = 0.25114 Activity of water = 0.939 Ionic strength (mol/kgw) = 1.022e-03 Mass of water (kg) = 9.959e-01 @@ -10281,7 +10281,7 @@ H2Sg(g) 2.83 6.795e+02 0.336 0.000e+00 2.015e+00 2.015e+00 Specific Conductance (µS/cm, 150°C) = 600 Density (g/cm³) = 0.98510 Volume (L) = 1.25350 - Viscosity (mPa s) = 0.20059 + Viscosity (mPa s) = 0.20060 Activity of water = 0.918 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 9.968e-01 @@ -10604,7 +10604,7 @@ H2Sg(g) 2.87 7.485e+02 0.258 0.000e+00 3.982e+00 3.982e+00 Specific Conductance (µS/cm, 120°C) = 628 Density (g/cm³) = 0.99292 Volume (L) = 1.17540 - Viscosity (mPa s) = 0.25235 + Viscosity (mPa s) = 0.25236 Activity of water = 0.938 Ionic strength (mol/kgw) = 1.039e-03 Mass of water (kg) = 9.961e-01 @@ -10685,7 +10685,7 @@ H2Sg(g) 2.86 7.257e+02 0.335 0.000e+00 1.859e+00 1.859e+00 Specific Conductance (µS/cm, 150°C) = 603 Density (g/cm³) = 0.98595 Volume (L) = 1.25809 - Viscosity (mPa s) = 0.20173 + Viscosity (mPa s) = 0.20174 Activity of water = 0.916 Ionic strength (mol/kgw) = 1.019e-03 Mass of water (kg) = 9.971e-01 @@ -11008,7 +11008,7 @@ H2Sg(g) 2.93 8.432e+02 0.259 0.000e+00 3.869e+00 3.869e+00 Specific Conductance (µS/cm, 120°C) = 640 Density (g/cm³) = 0.99473 Volume (L) = 1.17734 - Viscosity (mPa s) = 0.25479 + Viscosity (mPa s) = 0.25480 Activity of water = 0.936 Ionic strength (mol/kgw) = 1.073e-03 Mass of water (kg) = 9.963e-01 @@ -11083,7 +11083,7 @@ H2Sg(g) 2.91 8.184e+02 0.337 0.000e+00 1.610e+00 1.610e+00 Specific Conductance (µS/cm, 150°C) = 611 Density (g/cm³) = 0.98697 Volume (L) = 1.26586 - Viscosity (mPa s) = 0.20399 + Viscosity (mPa s) = 0.20400 Activity of water = 0.913 Ionic strength (mol/kgw) = 1.055e-03 Mass of water (kg) = 9.975e-01 @@ -11493,7 +11493,7 @@ H2Sg(g) 2.96 9.115e+02 0.341 0.000e+00 1.440e+00 1.440e+00 Specific Conductance (µS/cm, 150°C) = 619 Density (g/cm³) = 0.98740 Volume (L) = 1.27150 - Viscosity (mPa s) = 0.20624 + Viscosity (mPa s) = 0.20625 Activity of water = 0.910 Ionic strength (mol/kgw) = 1.090e-03 Mass of water (kg) = 9.979e-01 @@ -11999,7 +11999,7 @@ Reaction 1. Specific Conductance (µS/cm, 200°C) = 149 Density (g/cm³) = 0.87573 Volume (L) = 1.15179 - Viscosity (mPa s) = 0.13876 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13880 (solute contributions limited to 200 °C) Activity of water = 0.996 Ionic strength (mol/kgw) = 1.655e-04 Mass of water (kg) = 1.000e+00 @@ -12376,7 +12376,7 @@ Reaction 1. pH = 3.532 Charge balance pe = 2.267 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 224 + Specific Conductance (µS/cm, 100°C) = 223 Density (g/cm³) = 0.97303 Volume (L) = 1.03647 Viscosity (mPa s) = 0.29094 @@ -12531,7 +12531,7 @@ Reaction 1. Specific Conductance (µS/cm, 200°C) = 157 Density (g/cm³) = 0.88601 Volume (L) = 1.13839 - Viscosity (mPa s) = 0.14240 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14241 (solute contributions limited to 200 °C) Activity of water = 0.996 Ionic strength (mol/kgw) = 1.748e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/H2S_numerical_101.sel b/mytest/H2S_numerical_101.sel index 884e2698d..7a79eccf1 100644 --- a/mytest/H2S_numerical_101.sel +++ b/mytest/H2S_numerical_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.000000100644 0.0547821291 + 0.000000100644 0.0547821292 0.000829520314 215.2925575635 0.000098770619 24.9972391472 0.000101013426 28.7877362787 @@ -12,150 +12,150 @@ 0.000106863590 52.6822264397 0.000104383103 56.9973768632 0.000099329904 59.1969530891 - 0.000090998752 58.4815083859 - 0.000078148161 53.6179274952 - 0.000057814592 41.9937702092 - 0.000045586030 33.8087596017 + 0.000090998752 58.4814288339 + 0.000078148161 53.6178552518 + 0.000057814592 41.9937211887 + 0.000045586030 33.8087263156 0.000529141609 198.9408084363 0.000551578732 296.3882513099 0.000525406736 351.2332179502 - 0.000460419257 353.0254511799 - 0.000369144215 307.8696500991 - 0.000263434742 230.6329530453 - 0.000149211997 134.1165777093 + 0.000460419257 353.0196921442 + 0.000369144215 307.8613535985 + 0.000263434742 230.6159538275 + 0.000149211997 134.1221539845 0.000479356259 186.1732864126 0.000659607946 338.8260624511 0.000644303985 413.6931020015 - 0.000577741083 426.5322281199 - 0.000478517744 384.3568251899 - 0.000363936738 306.2086195033 - 0.000247460388 212.3974333688 - 0.000134548583 116.5962906455 + 0.000577741083 426.5234432191 + 0.000478517744 384.3435084914 + 0.000363936738 306.1792817839 + 0.000247460388 212.4131592486 + 0.000134548583 116.5981265032 0.000489175561 190.5376876943 0.000645658452 335.8993500658 0.000738698112 457.7674096194 - 0.000731273374 507.6892773154 - 0.000635521635 476.8283564498 - 0.000511141031 399.4401065717 - 0.000381944367 301.7553349806 - 0.000262742167 205.9045631687 - 0.000160093236 122.8915027577 - 0.000083650926 63.6693057126 + 0.000731273374 507.6758295347 + 0.000635521635 476.8067964189 + 0.000511141031 399.3929155329 + 0.000381944367 301.7971621797 + 0.000262742167 205.9113292799 + 0.000160093236 122.8931566559 + 0.000083650926 63.6696755881 0.000498746639 194.7790035391 0.000660111704 343.0269150132 0.000760367567 468.5452626105 - 0.000777332145 529.4608168395 - 0.000711612240 513.8621140239 - 0.000593728168 442.1369003497 - 0.000461142848 345.0233940742 - 0.000335732748 248.0451405342 - 0.000228830447 164.1244674221 - 0.000143884205 99.1704805511 + 0.000777332145 529.4456747172 + 0.000711612240 513.8364836671 + 0.000593728168 442.0824544809 + 0.000461142848 345.0960993253 + 0.000335732748 248.0563020612 + 0.000228830447 164.1277516680 + 0.000143884205 99.1714699234 0.000508158209 198.9319152206 0.000674017438 349.8124296920 0.000780062224 478.1455055864 - 0.000805026008 542.2865829692 - 0.000752394518 531.9004998269 - 0.000645093085 465.1799452293 - 0.000514814143 370.5569314996 - 0.000387224340 275.3794509620 - 0.000277314158 193.2684837448 - 0.000192195155 133.2736773218 + 0.000805026008 542.2702836461 + 0.000752394518 531.8728193354 + 0.000645093085 465.1232360506 + 0.000514814143 370.6736382382 + 0.000387224340 275.3948431908 + 0.000277314158 193.2733688456 + 0.000192195155 133.2755014668 0.000517407236 202.9936528416 0.000687473289 356.3032412834 0.000798546266 486.9354155102 - 0.000829226477 552.9749337753 - 0.000783053612 544.4022385008 - 0.000681821307 479.7694266771 - 0.000554489813 386.9847811888 - 0.000426631113 294.8683043330 - 0.000315193278 217.1775190825 - 0.000229849711 169.4568574068 + 0.000829226477 552.9575766387 + 0.000783053612 544.3731037950 + 0.000681821307 479.7124162686 + 0.000554489813 387.1806086289 + 0.000426631113 294.8879676350 + 0.000315193278 217.1840374305 + 0.000229849711 169.4597101347 0.000526557259 206.9927241539 0.000700630939 362.5802091683 0.000816264977 495.1513041307 - 0.000851644002 562.3676691949 - 0.000809920814 554.3663070245 - 0.000712298405 490.3048594964 - 0.000586896984 397.7315594383 + 0.000851644002 562.3493042364 + 0.000809920814 554.3359536558 + 0.000712298405 490.2481965953 + 0.000586896984 398.1413460319 0.000535591140 210.9235191989 0.000713503327 368.6614434867 0.000833353503 502.8907348863 - 0.000872813264 570.7799368338 - 0.000834573349 562.6063713737 - 0.000739421662 498.2385506825 + 0.000872813264 570.7606008034 + 0.000834573349 562.5749419014 + 0.000739421662 498.1824592596 0.000544561274 214.8114607279 0.000726190711 374.6084996314 0.000850012970 510.2842604037 - 0.000893149701 578.4675119056 - 0.000857831700 569.5799868519 - 0.000764537127 504.2661568946 + 0.000893149701 578.4472280145 + 0.000857831700 569.5475755936 + 0.000764537127 504.2107150090 0.000553444017 218.6492441603 0.000738677841 380.4292745626 0.000866266265 517.3829287474 - 0.000912771181 585.5635062119 - 0.000879986613 575.5377076301 - 0.000788154928 508.7607058390 + 0.000912771181 585.5422949655 + 0.000879986613 575.5043873081 + 0.000788154928 508.7059275832 0.000562285849 222.4599089975 0.000751043546 386.1755537439 0.000882245062 524.2849336396 - 0.000931891198 592.2309387377 - 0.000901363894 580.7192548461 - 0.000810722541 512.0357200299 + 0.000931891198 592.2088117128 + 0.000901363894 580.6850767562 + 0.000810722541 511.9815923918 0.000571059671 226.2344813699 0.000763260172 391.8487452058 0.000897934195 531.0226713920 - 0.000950527112 598.5573278411 - 0.000922033770 585.2837473748 - 0.000832370777 514.3233564483 + 0.000950527112 598.5342958838 + 0.000922033770 585.2487526115 + 0.000832370777 514.2698470769 0.000579790788 229.9861346993 0.000775371104 397.4819959808 0.000913404834 537.6631327208 - 0.000968788417 604.6565913008 - 0.000942151167 589.3992056381 - 0.000853297420 515.8472311694 + 0.000968788417 604.6326593742 + 0.000942151167 589.3634221888 + 0.000853297420 515.7942982364 0.000588503098 233.7268163910 0.000787415723 403.1050422405 0.000928718600 544.2658395978 - 0.000986765298 610.6288932184 - 0.000961837796 593.2121070832 + 0.000986765298 610.6040607241 + 0.000961837796 593.1755515900 0.000597166786 237.4447356530 0.000799357958 408.7105152500 0.000943838645 550.8440881007 - 0.001004427843 616.5277464924 - 0.000981077376 596.8307483842 + 0.001004427843 616.5020129623 + 0.000981077376 596.7934319310 0.000605821778 241.1572973847 0.000811257084 414.3336660908 0.000958847229 557.4587512429 - 0.001021882513 622.4450825649 - 0.000999998343 600.3795465436 + 0.001021882513 622.4184405634 + 0.000999998343 600.3414693388 0.000614437231 244.8507730485 0.000823074213 419.9613814330 0.000973701147 564.1114594305 - 0.001039087284 628.4154083333 - 0.001018564891 603.9400264172 + 0.001039087284 628.3878510180 + 0.001018564891 603.9011847823 0.000631634040 252.2108727195 0.000846589891 431.3013517073 0.001003123852 577.6716250037 - 0.001072980215 640.7531960025 - 0.001054916763 611.4447335549 + 0.001072980215 640.7237689492 + 0.001054916763 611.4043215641 0.000648804040 259.5224854290 0.000869958586 442.7563041677 0.001032204003 591.6484913746 - 0.001106260266 653.8394075496 - 0.001090347172 619.8659126704 + 0.001106260266 653.8080449278 + 0.001090347172 619.8238432399 0.000163736376 66.1569859881 0.000177232288 72.9488397698 0.000238898076 129.5857391380 - 0.000289631863 215.7004505438 - 0.000245694398 211.9254805315 - 0.000165472630 149.6760764562 - 0.000098546926 86.5518677083 - 0.000055641408 44.5046510093 + 0.000289631863 215.6987787128 + 0.000245694398 211.9218593561 + 0.000165472630 149.6099029954 + 0.000098546926 86.5528760952 + 0.000055641408 44.5048250768 0.000182179467 76.0502699827 0.000247406781 135.1340309574 - 0.000300643810 224.0000649709 - 0.000256967093 221.1961118636 - 0.000174846814 157.6417980790 - 0.000106838710 94.0500084956 - 0.000061965146 50.3817157132 + 0.000300643810 223.9981400037 + 0.000256967093 221.1922872818 + 0.000174846814 157.6271841885 + 0.000106838710 94.0514607633 + 0.000061965146 50.3819553179 diff --git a/mytest/H2S_pz.out b/mytest/H2S_pz.out index 359fe719a..91f12b987 100644 --- a/mytest/H2S_pz.out +++ b/mytest/H2S_pz.out @@ -1724,7 +1724,7 @@ H2Sg(g) 1.27 1.883e+01 0.938 0.000e+00 8.504e+00 8.504e+00 Specific Conductance (µS/cm, 180°C) = 233 Density (g/cm³) = 0.88466 Volume (L) = 1.05039 - Viscosity (mPa s) = 0.15087 + Viscosity (mPa s) = 0.15088 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.636e-04 Mass of water (kg) = 9.123e-01 @@ -2934,7 +2934,7 @@ H2Sg(g) 1.87 7.353e+01 0.836 0.000e+00 6.720e+00 6.720e+00 Specific Conductance (µS/cm, 210°C) = 305 Density (g/cm³) = 0.86141 Volume (L) = 1.20301 - Viscosity (mPa s) = 0.12999 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12998 (solute contributions limited to 200 °C) Activity of water = 0.964 Ionic strength (mol/kgw) = 3.824e-04 Mass of water (kg) = 9.586e-01 @@ -3080,7 +3080,7 @@ H2Sg(g) 1.56 3.671e+01 0.940 0.000e+00 7.855e+00 7.855e+00 Specific Conductance (µS/cm, 270°C) = 124 Density (g/cm³) = 0.76435 Volume (L) = 1.04677 - Viscosity (mPa s) = 0.09910 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.09909 (solute contributions limited to 200 °C) Activity of water = 0.975 Ionic strength (mol/kgw) = 1.604e-04 Mass of water (kg) = 7.611e-01 @@ -3466,7 +3466,7 @@ H2Sg(g) 2.15 1.405e+02 0.523 0.000e+00 5.974e+00 5.974e+00 Specific Conductance (µS/cm, 120°C) = 534 Density (g/cm³) = 0.95924 Volume (L) = 1.14398 - Viscosity (mPa s) = 0.23601 + Viscosity (mPa s) = 0.23602 Activity of water = 0.958 Ionic strength (mol/kgw) = 7.785e-04 Mass of water (kg) = 9.942e-01 @@ -3612,7 +3612,7 @@ H2Sg(g) 2.11 1.294e+02 0.702 0.000e+00 5.367e+00 5.367e+00 Specific Conductance (µS/cm, 180°C) = 447 Density (g/cm³) = 0.91229 Volume (L) = 1.21668 - Viscosity (mPa s) = 0.15381 + Viscosity (mPa s) = 0.15382 Activity of water = 0.949 Ionic strength (mol/kgw) = 5.946e-04 Mass of water (kg) = 9.861e-01 @@ -3685,7 +3685,7 @@ H2Sg(g) 2.07 1.174e+02 0.764 0.000e+00 5.315e+00 5.315e+00 Specific Conductance (µS/cm, 210°C) = 349 Density (g/cm³) = 0.88007 Volume (L) = 1.25058 - Viscosity (mPa s) = 0.13125 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13124 (solute contributions limited to 200 °C) Activity of water = 0.947 Ionic strength (mol/kgw) = 4.618e-04 Mass of water (kg) = 9.750e-01 @@ -4436,7 +4436,7 @@ H2Sg(g) 2.20 1.593e+02 0.705 0.000e+00 4.093e+00 4.093e+00 Specific Conductance (µS/cm, 210°C) = 375 Density (g/cm³) = 0.89953 Volume (L) = 1.27799 - Viscosity (mPa s) = 0.13250 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13249 (solute contributions limited to 200 °C) Activity of water = 0.933 Ionic strength (mol/kgw) = 5.156e-04 Mass of water (kg) = 9.824e-01 @@ -5187,7 +5187,7 @@ H2Sg(g) 2.30 1.995e+02 0.658 0.000e+00 3.042e+00 3.042e+00 Specific Conductance (µS/cm, 210°C) = 391 Density (g/cm³) = 0.91732 Volume (L) = 1.29734 - Viscosity (mPa s) = 0.13376 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13375 (solute contributions limited to 200 °C) Activity of water = 0.922 Ionic strength (mol/kgw) = 5.554e-04 Mass of water (kg) = 9.870e-01 @@ -6251,7 +6251,7 @@ H2Sg(g) 2.80 6.335e+02 0.337 0.000e+00 2.188e+00 2.188e+00 Specific Conductance (µS/cm, 150°C) = 603 Density (g/cm³) = 0.98397 Volume (L) = 1.24859 - Viscosity (mPa s) = 0.19944 + Viscosity (mPa s) = 0.19945 Activity of water = 0.918 Ionic strength (mol/kgw) = 9.831e-04 Mass of water (kg) = 9.964e-01 @@ -6637,7 +6637,7 @@ H2Sg(g) 2.96 9.117e+02 0.341 0.000e+00 1.437e+00 1.437e+00 Specific Conductance (µS/cm, 150°C) = 626 Density (g/cm³) = 0.98741 Volume (L) = 1.27161 - Viscosity (mPa s) = 0.20624 + Viscosity (mPa s) = 0.20625 Activity of water = 0.909 Ionic strength (mol/kgw) = 1.093e-03 Mass of water (kg) = 9.979e-01 diff --git a/mytest/H2S_pz_101.sel b/mytest/H2S_pz_101.sel index 787669c48..39c7823df 100644 --- a/mytest/H2S_pz_101.sel +++ b/mytest/H2S_pz_101.sel @@ -12,78 +12,78 @@ 0.000106880868 52.7861407192 0.000104400169 57.1771355767 0.000099345979 59.4473711182 - 0.000091012877 58.7861134620 - 0.000078159193 53.9452306668 - 0.000057821171 42.2844628394 - 0.000045590374 34.0531678687 + 0.000091012877 58.7860746871 + 0.000078159193 53.9451954095 + 0.000057821171 42.2844388850 + 0.000045590374 34.0531515933 0.000529534540 199.0740491495 0.000552044329 297.6469261765 0.000525876690 353.6792516937 - 0.000460830655 356.2130157599 - 0.000369457801 311.1456974461 - 0.000263640358 233.3855256740 - 0.000149318146 135.8466036134 + 0.000460830655 356.2101915559 + 0.000369457801 311.1416177943 + 0.000263640358 233.3771464270 + 0.000149318146 135.8493576121 0.000479681934 186.2987096771 0.000660269093 340.2676972846 0.000645003972 416.5810690130 - 0.000578379654 430.3926105818 - 0.000479030986 388.4577254205 - 0.000364305667 309.8750891298 - 0.000247700811 215.1365037200 - 0.000134684803 118.2151944359 + 0.000578379654 430.3883018100 + 0.000479030986 388.4511760805 + 0.000364305667 309.8606252696 + 0.000247700811 215.1442720875 + 0.000134684803 118.2161031574 0.000489514316 190.6663473185 0.000646297081 337.3307786390 0.000739619780 460.9731951726 - 0.000732282291 512.2993771277 - 0.000636402698 481.9350600446 - 0.000511827722 404.2411920126 - 0.000382442267 305.6365236584 - 0.000263096260 208.7500158666 - 0.000160353186 124.7060613345 - 0.000083836372 64.6789282732 + 0.000732282291 512.2927798981 + 0.000636402698 481.9244539545 + 0.000511827722 404.2179204026 + 0.000382442267 305.6571889111 + 0.000263096260 208.7533659709 + 0.000160353186 124.7068820478 + 0.000083836372 64.6791121830 0.000499098372 194.9108292850 0.000660778214 344.4897672229 0.000761342751 471.8293148260 - 0.000778476415 534.2780406132 - 0.000712709280 519.3772503411 - 0.000594632934 447.4600555698 - 0.000461826270 349.4444129297 - 0.000336234191 251.4611533737 - 0.000229219248 166.5277729685 - 0.000144232052 100.7440566546 + 0.000778476415 534.2706115303 + 0.000712709280 519.3646403178 + 0.000594632934 447.4332027995 + 0.000461826270 349.4803348874 + 0.000336234191 251.4666799299 + 0.000229219248 166.5294026402 + 0.000144232052 100.7445489828 0.000508522925 199.0668620735 0.000674711230 351.3052562424 0.000781086703 481.4993027520 - 0.000806251730 547.2252409989 - 0.000753620276 537.6173496741 - 0.000646149877 470.7858645878 - 0.000515634666 375.2783817170 - 0.000387828790 279.1598666900 - 0.000277772787 196.0798475479 - 0.000192613748 135.3900369762 + 0.000806251730 547.2172437978 + 0.000753620276 537.6037299420 + 0.000646149877 470.7578931984 + 0.000515634666 375.3360410511 + 0.000387828790 279.1674877994 + 0.000277772787 196.0822711392 + 0.000192613748 135.3909445289 0.000517784925 203.1316734134 0.000688193925 357.8248003765 0.000799617754 490.3531611905 - 0.000830524023 558.0146558992 - 0.000784377420 550.2583535274 - 0.000682991987 485.5535535815 - 0.000555413373 391.8634882458 - 0.000427302005 298.9009262384 - 0.000315664415 220.3008272080 - 0.000230214079 172.0633164129 + 0.000830524023 558.0061393645 + 0.000784377420 550.2440175244 + 0.000682991987 485.5254320693 + 0.000555413373 391.9602213957 + 0.000427302005 298.9106612459 + 0.000315664415 220.3040599158 + 0.000230214079 172.0647341486 0.000553874293 218.7993276188 0.000739504740 382.0582288461 0.000867516927 521.0232461679 - 0.000914325644 590.9122313300 - 0.000881626556 581.7391189968 - 0.000789648105 514.8917088998 + 0.000914325644 590.9018224456 + 0.000881626556 581.7227211658 + 0.000789648105 514.8646858652 0.000597665235 237.6098219074 0.000800319469 410.4667735124 0.000945309022 554.7316306197 - 0.001006283861 622.1737053497 - 0.000983065195 603.2727699183 + 0.001006283861 622.1610756135 + 0.000983065195 603.2544030904 0.000649389001 259.7059775699 0.000871088928 444.6680770892 0.001033944661 595.8416355209 - 0.001108479395 659.8498368380 - 0.001092745335 626.5797302102 + 0.001108479395 659.8344420334 + 0.001092745335 626.5590207120 diff --git a/mytest/H2S_pz_appt.out b/mytest/H2S_pz_appt.out index 5e56d2b9a..a2d855029 100644 --- a/mytest/H2S_pz_appt.out +++ b/mytest/H2S_pz_appt.out @@ -4906,7 +4906,7 @@ H2Sg(g) 1.46 2.859e+01 0.872 7.954e+00 7.990e+00 3.624e-02 Specific Conductance (µS/cm, 95°C) = 358 Density (g/cm³) = 0.95973 Volume (L) = 1.07253 - Viscosity (mPa s) = 0.29645 + Viscosity (mPa s) = 0.29646 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.166e-04 Mass of water (kg) = 9.949e-01 @@ -5276,7 +5276,7 @@ H2Sg(g) 1.44 2.760e+01 0.891 8.110e+00 8.135e+00 2.544e-02 Specific Conductance (µS/cm, 116°C) = 358 Density (g/cm³) = 0.94446 Volume (L) = 1.07877 - Viscosity (mPa s) = 0.24160 + Viscosity (mPa s) = 0.24161 Activity of water = 0.986 Ionic strength (mol/kgw) = 4.715e-04 Mass of water (kg) = 9.894e-01 @@ -6238,7 +6238,7 @@ H2Sg(g) 1.33 2.118e+01 0.930 8.404e+00 8.429e+00 2.536e-02 Specific Conductance (µS/cm, 169°C) = 264 Density (g/cm³) = 0.89612 Volume (L) = 1.07022 - Viscosity (mPa s) = 0.16125 + Viscosity (mPa s) = 0.16126 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.032e-04 Mass of water (kg) = 9.396e-01 @@ -6386,7 +6386,7 @@ H2Sg(g) 1.29 1.946e+01 0.936 8.456e+00 8.484e+00 2.826e-02 Specific Conductance (µS/cm, 177°C) = 241 Density (g/cm³) = 0.88757 Volume (L) = 1.05668 - Viscosity (mPa s) = 0.15334 + Viscosity (mPa s) = 0.15335 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.736e-04 Mass of water (kg) = 9.203e-01 @@ -6679,10 +6679,10 @@ H2Sg(g) 1.18 1.524e+01 0.950 8.580e+00 8.617e+00 3.662e-02 pH = 3.685 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 194°C) = 201 + Specific Conductance (µS/cm, 194°C) = 200 Density (g/cm³) = 0.86962 Volume (L) = 0.99676 - Viscosity (mPa s) = 0.13601 + Viscosity (mPa s) = 0.13633 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.129e-04 Mass of water (kg) = 8.537e-01 @@ -6756,7 +6756,7 @@ H2Sg(g) 1.15 1.402e+01 0.954 8.617e+00 8.656e+00 3.929e-02 Specific Conductance (µS/cm, 198°C) = 177 Density (g/cm³) = 0.86497 Volume (L) = 0.96917 - Viscosity (mPa s) = 0.13669 + Viscosity (mPa s) = 0.13668 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.974e-04 Mass of water (kg) = 8.266e-01 @@ -6830,7 +6830,7 @@ H2Sg(g) 1.10 1.272e+01 0.958 8.656e+00 8.699e+00 4.221e-02 Specific Conductance (µS/cm, 202°C) = 164 Density (g/cm³) = 0.86025 Volume (L) = 0.93254 - Viscosity (mPa s) = 0.13372 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13371 (solute contributions limited to 200 °C) Activity of water = 0.993 Ionic strength (mol/kgw) = 1.816e-04 Mass of water (kg) = 7.919e-01 @@ -8573,7 +8573,7 @@ H2Sg(g) 1.67 4.671e+01 0.828 7.526e+00 7.561e+00 3.519e-02 pH = 3.260 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 121°C) = 430 + Specific Conductance (µS/cm, 121°C) = 429 Density (g/cm³) = 0.94306 Volume (L) = 1.10436 Viscosity (mPa s) = 0.23196 @@ -8872,7 +8872,7 @@ H2Sg(g) 1.65 4.487e+01 0.851 7.655e+00 7.684e+00 2.869e-02 Specific Conductance (µS/cm, 140°C) = 407 Density (g/cm³) = 0.92653 Volume (L) = 1.11296 - Viscosity (mPa s) = 0.19822 + Viscosity (mPa s) = 0.19823 Activity of water = 0.979 Ionic strength (mol/kgw) = 5.154e-04 Mass of water (kg) = 9.863e-01 @@ -9242,7 +9242,7 @@ H2Sg(g) 1.62 4.125e+01 0.876 7.795e+00 7.824e+00 2.892e-02 Specific Conductance (µS/cm, 164°C) = 355 Density (g/cm³) = 0.90345 Volume (L) = 1.12076 - Viscosity (mPa s) = 0.16749 + Viscosity (mPa s) = 0.16750 Activity of water = 0.981 Ionic strength (mol/kgw) = 4.279e-04 Mass of water (kg) = 9.725e-01 @@ -9464,7 +9464,7 @@ H2Sg(g) 1.58 3.817e+01 0.890 7.886e+00 7.919e+00 3.318e-02 Specific Conductance (µS/cm, 178°C) = 315 Density (g/cm³) = 0.88823 Volume (L) = 1.12049 - Viscosity (mPa s) = 0.15321 + Viscosity (mPa s) = 0.15322 Activity of water = 0.982 Ionic strength (mol/kgw) = 3.723e-04 Mass of water (kg) = 9.584e-01 @@ -9612,7 +9612,7 @@ H2Sg(g) 1.55 3.567e+01 0.900 7.954e+00 7.992e+00 3.780e-02 Specific Conductance (µS/cm, 188°C) = 287 Density (g/cm³) = 0.87749 Volume (L) = 1.11610 - Viscosity (mPa s) = 0.14494 + Viscosity (mPa s) = 0.14495 Activity of water = 0.983 Ionic strength (mol/kgw) = 3.349e-04 Mass of water (kg) = 9.450e-01 @@ -9686,7 +9686,7 @@ H2Sg(g) 1.54 3.428e+01 0.904 7.992e+00 8.033e+00 4.068e-02 Specific Conductance (µS/cm, 192°C) = 272 Density (g/cm³) = 0.87193 Volume (L) = 1.11197 - Viscosity (mPa s) = 0.14101 + Viscosity (mPa s) = 0.14103 Activity of water = 0.983 Ionic strength (mol/kgw) = 3.163e-04 Mass of water (kg) = 9.366e-01 @@ -9760,7 +9760,7 @@ H2Sg(g) 1.52 3.278e+01 0.909 8.033e+00 8.077e+00 4.395e-02 Specific Conductance (µS/cm, 197°C) = 256 Density (g/cm³) = 0.86626 Volume (L) = 1.10610 - Viscosity (mPa s) = 0.13782 + Viscosity (mPa s) = 0.13780 Activity of water = 0.984 Ionic strength (mol/kgw) = 2.977e-04 Mass of water (kg) = 9.267e-01 @@ -9908,7 +9908,7 @@ H2Sg(g) 1.47 2.947e+01 0.919 8.124e+00 8.176e+00 5.174e-02 Specific Conductance (µS/cm, 207°C) = 226 Density (g/cm³) = 0.85453 Volume (L) = 1.08711 - Viscosity (mPa s) = 0.13096 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13095 (solute contributions limited to 200 °C) Activity of water = 0.985 Ionic strength (mol/kgw) = 2.608e-04 Mass of water (kg) = 9.009e-01 @@ -12024,7 +12024,7 @@ H2Sg(g) 1.98 9.446e+01 0.680 6.388e+00 6.395e+00 6.736e-03 Specific Conductance (µS/cm, 125°C) = 511 Density (g/cm³) = 0.94921 Volume (L) = 1.14160 - Viscosity (mPa s) = 0.22473 + Viscosity (mPa s) = 0.22474 Activity of water = 0.963 Ionic strength (mol/kgw) = 7.197e-04 Mass of water (kg) = 9.948e-01 @@ -12172,7 +12172,7 @@ H2Sg(g) 1.97 9.334e+01 0.704 6.403e+00 6.412e+00 9.133e-03 Specific Conductance (µS/cm, 135°C) = 504 Density (g/cm³) = 0.94104 Volume (L) = 1.14932 - Viscosity (mPa s) = 0.20704 + Viscosity (mPa s) = 0.20705 Activity of water = 0.963 Ionic strength (mol/kgw) = 6.899e-04 Mass of water (kg) = 9.934e-01 @@ -12320,7 +12320,7 @@ H2Sg(g) 1.96 9.194e+01 0.726 6.422e+00 6.432e+00 1.017e-02 Specific Conductance (µS/cm, 145°C) = 491 Density (g/cm³) = 0.93236 Volume (L) = 1.15727 - Viscosity (mPa s) = 0.19186 + Viscosity (mPa s) = 0.19187 Activity of water = 0.963 Ionic strength (mol/kgw) = 6.552e-04 Mass of water (kg) = 9.915e-01 @@ -12986,7 +12986,7 @@ H2Sg(g) 1.91 8.123e+01 0.805 6.555e+00 6.580e+00 2.513e-02 Specific Conductance (µS/cm, 190°C) = 372 Density (g/cm³) = 0.88626 Volume (L) = 1.19265 - Viscosity (mPa s) = 0.14413 + Viscosity (mPa s) = 0.14414 Activity of water = 0.963 Ionic strength (mol/kgw) = 4.683e-04 Mass of water (kg) = 9.745e-01 @@ -13060,7 +13060,7 @@ H2Sg(g) 1.90 7.950e+01 0.813 6.580e+00 6.608e+00 2.862e-02 Specific Conductance (µS/cm, 195°C) = 357 Density (g/cm³) = 0.88033 Volume (L) = 1.19586 - Viscosity (mPa s) = 0.14005 + Viscosity (mPa s) = 0.14008 Activity of water = 0.964 Ionic strength (mol/kgw) = 4.466e-04 Mass of water (kg) = 9.712e-01 @@ -13134,7 +13134,7 @@ H2Sg(g) 1.89 7.764e+01 0.821 6.608e+00 6.641e+00 3.256e-02 Specific Conductance (µS/cm, 200°C) = 338 Density (g/cm³) = 0.87422 Volume (L) = 1.19873 - Viscosity (mPa s) = 0.13697 + Viscosity (mPa s) = 0.13695 Activity of water = 0.964 Ionic strength (mol/kgw) = 4.250e-04 Mass of water (kg) = 9.676e-01 @@ -13208,7 +13208,7 @@ H2Sg(g) 1.88 7.566e+01 0.828 6.641e+00 6.678e+00 3.700e-02 Specific Conductance (µS/cm, 205°C) = 322 Density (g/cm³) = 0.86792 Volume (L) = 1.20115 - Viscosity (mPa s) = 0.13333 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13332 (solute contributions limited to 200 °C) Activity of water = 0.964 Ionic strength (mol/kgw) = 4.036e-04 Mass of water (kg) = 9.634e-01 @@ -13282,7 +13282,7 @@ H2Sg(g) 1.87 7.353e+01 0.836 6.678e+00 6.720e+00 4.195e-02 Specific Conductance (µS/cm, 210°C) = 305 Density (g/cm³) = 0.86141 Volume (L) = 1.20301 - Viscosity (mPa s) = 0.12999 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12998 (solute contributions limited to 200 °C) Activity of water = 0.964 Ionic strength (mol/kgw) = 3.824e-04 Mass of water (kg) = 9.586e-01 @@ -13430,7 +13430,7 @@ H2Sg(g) 1.84 6.887e+01 0.851 6.767e+00 6.821e+00 5.353e-02 Specific Conductance (µS/cm, 220°C) = 272 Density (g/cm³) = 0.84775 Volume (L) = 1.20443 - Viscosity (mPa s) = 0.12381 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12380 (solute contributions limited to 200 °C) Activity of water = 0.965 Ionic strength (mol/kgw) = 3.410e-04 Mass of water (kg) = 9.468e-01 @@ -15324,7 +15324,7 @@ H2Sg(g) 2.15 1.410e+02 0.502 6.137e+00 6.055e+00 -8.213e-02 Specific Conductance (µS/cm, 115°C) = 529 Density (g/cm³) = 0.96227 Volume (L) = 1.13785 - Viscosity (mPa s) = 0.24685 + Viscosity (mPa s) = 0.24686 Activity of water = 0.959 Ionic strength (mol/kgw) = 7.817e-04 Mass of water (kg) = 9.946e-01 @@ -15398,7 +15398,7 @@ H2Sg(g) 2.15 1.405e+02 0.523 6.055e+00 5.974e+00 -8.106e-02 Specific Conductance (µS/cm, 120°C) = 534 Density (g/cm³) = 0.95924 Volume (L) = 1.14398 - Viscosity (mPa s) = 0.23601 + Viscosity (mPa s) = 0.23602 Activity of water = 0.958 Ionic strength (mol/kgw) = 7.785e-04 Mass of water (kg) = 9.942e-01 @@ -15990,7 +15990,7 @@ H2Sg(g) 2.13 1.349e+02 0.654 5.531e+00 5.490e+00 -4.135e-02 Specific Conductance (µS/cm, 160°C) = 500 Density (g/cm³) = 0.93034 Volume (L) = 1.19311 - Viscosity (mPa s) = 0.17404 + Viscosity (mPa s) = 0.17405 Activity of water = 0.951 Ionic strength (mol/kgw) = 6.769e-04 Mass of water (kg) = 9.904e-01 @@ -16286,7 +16286,7 @@ H2Sg(g) 2.11 1.294e+02 0.702 5.391e+00 5.367e+00 -2.466e-02 Specific Conductance (µS/cm, 180°C) = 447 Density (g/cm³) = 0.91229 Volume (L) = 1.21668 - Viscosity (mPa s) = 0.15381 + Viscosity (mPa s) = 0.15382 Activity of water = 0.949 Ionic strength (mol/kgw) = 5.946e-04 Mass of water (kg) = 9.861e-01 @@ -16360,7 +16360,7 @@ H2Sg(g) 2.11 1.278e+02 0.713 5.367e+00 5.346e+00 -2.049e-02 Specific Conductance (µS/cm, 185°C) = 432 Density (g/cm³) = 0.90737 Volume (L) = 1.22251 - Viscosity (mPa s) = 0.14947 + Viscosity (mPa s) = 0.14948 Activity of water = 0.949 Ionic strength (mol/kgw) = 5.728e-04 Mass of water (kg) = 9.847e-01 @@ -16434,7 +16434,7 @@ H2Sg(g) 2.10 1.260e+02 0.723 5.346e+00 5.330e+00 -1.614e-02 Specific Conductance (µS/cm, 190°C) = 416 Density (g/cm³) = 0.90229 Volume (L) = 1.22830 - Viscosity (mPa s) = 0.14536 + Viscosity (mPa s) = 0.14537 Activity of water = 0.948 Ionic strength (mol/kgw) = 5.507e-04 Mass of water (kg) = 9.832e-01 @@ -16505,10 +16505,10 @@ H2Sg(g) 2.09 1.240e+02 0.734 5.330e+00 5.318e+00 -1.154e-02 pH = 3.308 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 195°C) = 401 + Specific Conductance (µS/cm, 195°C) = 400 Density (g/cm³) = 0.89702 Volume (L) = 1.23402 - Viscosity (mPa s) = 0.14140 + Viscosity (mPa s) = 0.14142 Activity of water = 0.948 Ionic strength (mol/kgw) = 5.284e-04 Mass of water (kg) = 9.815e-01 @@ -16579,10 +16579,10 @@ H2Sg(g) 2.09 1.220e+02 0.744 5.318e+00 5.312e+00 -6.628e-03 pH = 3.326 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 368 + Specific Conductance (µS/cm, 200°C) = 370 Density (g/cm³) = 0.89157 Volume (L) = 1.23967 - Viscosity (mPa s) = 0.14063 + Viscosity (mPa s) = 0.14040 Activity of water = 0.947 Ionic strength (mol/kgw) = 5.061e-04 Mass of water (kg) = 9.796e-01 @@ -16656,7 +16656,7 @@ H2Sg(g) 2.08 1.197e+02 0.754 5.312e+00 5.310e+00 -1.352e-03 Specific Conductance (µS/cm, 205°C) = 365 Density (g/cm³) = 0.88592 Volume (L) = 1.24520 - Viscosity (mPa s) = 0.13462 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13461 (solute contributions limited to 200 °C) Activity of water = 0.947 Ionic strength (mol/kgw) = 4.839e-04 Mass of water (kg) = 9.774e-01 @@ -16730,7 +16730,7 @@ H2Sg(g) 2.07 1.174e+02 0.764 5.310e+00 5.315e+00 4.338e-03 Specific Conductance (µS/cm, 210°C) = 349 Density (g/cm³) = 0.88007 Volume (L) = 1.25058 - Viscosity (mPa s) = 0.13125 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13124 (solute contributions limited to 200 °C) Activity of water = 0.947 Ionic strength (mol/kgw) = 4.618e-04 Mass of water (kg) = 9.750e-01 @@ -16952,7 +16952,7 @@ H2Sg(g) 2.04 1.094e+02 0.793 5.342e+00 5.367e+00 2.439e-02 Specific Conductance (µS/cm, 225°C) = 299 Density (g/cm³) = 0.86115 Volume (L) = 1.26536 - Viscosity (mPa s) = 0.12220 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12219 (solute contributions limited to 200 °C) Activity of water = 0.946 Ionic strength (mol/kgw) = 3.972e-04 Mass of water (kg) = 9.658e-01 @@ -17026,7 +17026,7 @@ H2Sg(g) 2.03 1.064e+02 0.802 5.367e+00 5.399e+00 3.225e-02 Specific Conductance (µS/cm, 230°C) = 283 Density (g/cm³) = 0.85434 Volume (L) = 1.26959 - Viscosity (mPa s) = 0.11945 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11944 (solute contributions limited to 200 °C) Activity of water = 0.946 Ionic strength (mol/kgw) = 3.764e-04 Mass of water (kg) = 9.619e-01 @@ -19882,7 +19882,7 @@ H2Sg(g) 2.23 1.687e+02 0.656 4.415e+00 4.340e+00 -7.536e-02 Specific Conductance (µS/cm, 190°C) = 441 Density (g/cm³) = 0.91728 Volume (L) = 1.24884 - Viscosity (mPa s) = 0.14657 + Viscosity (mPa s) = 0.14658 Activity of water = 0.937 Ionic strength (mol/kgw) = 6.037e-04 Mass of water (kg) = 9.867e-01 @@ -19956,7 +19956,7 @@ H2Sg(g) 2.22 1.666e+02 0.669 4.340e+00 4.270e+00 -7.016e-02 Specific Conductance (µS/cm, 195°C) = 425 Density (g/cm³) = 0.91307 Volume (L) = 1.25619 - Viscosity (mPa s) = 0.14265 + Viscosity (mPa s) = 0.14267 Activity of water = 0.936 Ionic strength (mol/kgw) = 5.819e-04 Mass of water (kg) = 9.858e-01 @@ -20030,7 +20030,7 @@ H2Sg(g) 2.22 1.643e+02 0.681 4.270e+00 4.205e+00 -6.473e-02 Specific Conductance (µS/cm, 200°C) = 411 Density (g/cm³) = 0.90871 Volume (L) = 1.26351 - Viscosity (mPa s) = 0.13869 + Viscosity (mPa s) = 0.13873 Activity of water = 0.935 Ionic strength (mol/kgw) = 5.599e-04 Mass of water (kg) = 9.847e-01 @@ -20104,7 +20104,7 @@ H2Sg(g) 2.21 1.619e+02 0.693 4.205e+00 4.146e+00 -5.902e-02 Specific Conductance (µS/cm, 205°C) = 390 Density (g/cm³) = 0.90420 Volume (L) = 1.27078 - Viscosity (mPa s) = 0.13601 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13598 (solute contributions limited to 200 °C) Activity of water = 0.934 Ionic strength (mol/kgw) = 5.378e-04 Mass of water (kg) = 9.836e-01 @@ -20178,7 +20178,7 @@ H2Sg(g) 2.20 1.593e+02 0.705 4.146e+00 4.093e+00 -5.301e-02 Specific Conductance (µS/cm, 210°C) = 375 Density (g/cm³) = 0.89953 Volume (L) = 1.27799 - Viscosity (mPa s) = 0.13250 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13249 (solute contributions limited to 200 °C) Activity of water = 0.933 Ionic strength (mol/kgw) = 5.156e-04 Mass of water (kg) = 9.824e-01 @@ -20252,7 +20252,7 @@ H2Sg(g) 2.19 1.565e+02 0.717 4.093e+00 4.046e+00 -4.665e-02 Specific Conductance (µS/cm, 215°C) = 359 Density (g/cm³) = 0.89469 Volume (L) = 1.28512 - Viscosity (mPa s) = 0.12932 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12931 (solute contributions limited to 200 °C) Activity of water = 0.932 Ionic strength (mol/kgw) = 4.936e-04 Mass of water (kg) = 9.810e-01 @@ -20400,7 +20400,7 @@ H2Sg(g) 2.18 1.505e+02 0.739 4.006e+00 3.974e+00 -3.272e-02 Specific Conductance (µS/cm, 225°C) = 326 Density (g/cm³) = 0.88448 Volume (L) = 1.29906 - Viscosity (mPa s) = 0.12345 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12344 (solute contributions limited to 200 °C) Activity of water = 0.931 Ionic strength (mol/kgw) = 4.502e-04 Mass of water (kg) = 9.777e-01 @@ -23108,7 +23108,7 @@ H2Sg(g) 2.34 2.167e+02 0.560 4.094e+00 3.952e+00 -1.417e-01 Specific Conductance (µS/cm, 175°C) = 499 Density (g/cm³) = 0.93910 Volume (L) = 1.23755 - Viscosity (mPa s) = 0.16081 + Viscosity (mPa s) = 0.16082 Activity of water = 0.934 Ionic strength (mol/kgw) = 7.025e-04 Mass of water (kg) = 9.901e-01 @@ -23256,7 +23256,7 @@ H2Sg(g) 2.33 2.125e+02 0.590 3.813e+00 3.675e+00 -1.371e-01 Specific Conductance (µS/cm, 185°C) = 471 Density (g/cm³) = 0.93319 Volume (L) = 1.25461 - Viscosity (mPa s) = 0.15186 + Viscosity (mPa s) = 0.15187 Activity of water = 0.931 Ionic strength (mol/kgw) = 6.628e-04 Mass of water (kg) = 9.893e-01 @@ -23330,7 +23330,7 @@ H2Sg(g) 2.32 2.102e+02 0.604 3.675e+00 3.541e+00 -1.341e-01 Specific Conductance (µS/cm, 190°C) = 456 Density (g/cm³) = 0.93015 Volume (L) = 1.26318 - Viscosity (mPa s) = 0.14776 + Viscosity (mPa s) = 0.14777 Activity of water = 0.929 Ionic strength (mol/kgw) = 6.420e-04 Mass of water (kg) = 9.889e-01 @@ -23404,7 +23404,7 @@ H2Sg(g) 2.32 2.077e+02 0.618 3.541e+00 3.411e+00 -1.308e-01 Specific Conductance (µS/cm, 195°C) = 441 Density (g/cm³) = 0.92704 Volume (L) = 1.27174 - Viscosity (mPa s) = 0.14386 + Viscosity (mPa s) = 0.14387 Activity of water = 0.927 Ionic strength (mol/kgw) = 6.207e-04 Mass of water (kg) = 9.885e-01 @@ -23478,7 +23478,7 @@ H2Sg(g) 2.31 2.051e+02 0.631 3.411e+00 3.284e+00 -1.270e-01 Specific Conductance (µS/cm, 200°C) = 426 Density (g/cm³) = 0.92387 Volume (L) = 1.28030 - Viscosity (mPa s) = 0.14009 + Viscosity (mPa s) = 0.14011 Activity of water = 0.925 Ionic strength (mol/kgw) = 5.991e-04 Mass of water (kg) = 9.880e-01 @@ -23549,10 +23549,10 @@ H2Sg(g) 2.31 2.024e+02 0.645 3.284e+00 3.161e+00 -1.229e-01 pH = 3.277 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 205°C) = 391 + Specific Conductance (µS/cm, 205°C) = 393 Density (g/cm³) = 0.92063 Volume (L) = 1.28884 - Viscosity (mPa s) = 0.13989 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13962 (solute contributions limited to 200 °C) Activity of water = 0.924 Ionic strength (mol/kgw) = 5.773e-04 Mass of water (kg) = 9.875e-01 @@ -23626,7 +23626,7 @@ H2Sg(g) 2.30 1.995e+02 0.658 3.161e+00 3.042e+00 -1.185e-01 Specific Conductance (µS/cm, 210°C) = 391 Density (g/cm³) = 0.91732 Volume (L) = 1.29734 - Viscosity (mPa s) = 0.13376 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13375 (solute contributions limited to 200 °C) Activity of water = 0.922 Ionic strength (mol/kgw) = 5.554e-04 Mass of water (kg) = 9.870e-01 @@ -23700,7 +23700,7 @@ H2Sg(g) 2.29 1.964e+02 0.671 3.042e+00 2.928e+00 -1.138e-01 Specific Conductance (µS/cm, 215°C) = 376 Density (g/cm³) = 0.91395 Volume (L) = 1.30579 - Viscosity (mPa s) = 0.13054 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13053 (solute contributions limited to 200 °C) Activity of water = 0.921 Ionic strength (mol/kgw) = 5.335e-04 Mass of water (kg) = 9.865e-01 @@ -23774,7 +23774,7 @@ H2Sg(g) 2.29 1.932e+02 0.684 2.928e+00 2.820e+00 -1.087e-01 Specific Conductance (µS/cm, 220°C) = 360 Density (g/cm³) = 0.91051 Volume (L) = 1.31417 - Viscosity (mPa s) = 0.12753 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12752 (solute contributions limited to 200 °C) Activity of water = 0.919 Ionic strength (mol/kgw) = 5.117e-04 Mass of water (kg) = 9.859e-01 @@ -23848,7 +23848,7 @@ H2Sg(g) 2.28 1.898e+02 0.697 2.820e+00 2.716e+00 -1.033e-01 Specific Conductance (µS/cm, 225°C) = 344 Density (g/cm³) = 0.90702 Volume (L) = 1.32246 - Viscosity (mPa s) = 0.12467 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12466 (solute contributions limited to 200 °C) Activity of water = 0.918 Ionic strength (mol/kgw) = 4.901e-04 Mass of water (kg) = 9.853e-01 @@ -23922,7 +23922,7 @@ H2Sg(g) 2.27 1.863e+02 0.709 2.716e+00 2.619e+00 -9.769e-02 Specific Conductance (µS/cm, 230°C) = 329 Density (g/cm³) = 0.90347 Volume (L) = 1.33063 - Viscosity (mPa s) = 0.12194 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12193 (solute contributions limited to 200 °C) Activity of water = 0.916 Ionic strength (mol/kgw) = 4.688e-04 Mass of water (kg) = 9.847e-01 @@ -23996,7 +23996,7 @@ H2Sg(g) 2.26 1.826e+02 0.722 2.619e+00 2.527e+00 -9.174e-02 Specific Conductance (µS/cm, 235°C) = 313 Density (g/cm³) = 0.89987 Volume (L) = 1.33864 - Viscosity (mPa s) = 0.11933 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11932 (solute contributions limited to 200 °C) Activity of water = 0.915 Ionic strength (mol/kgw) = 4.479e-04 Mass of water (kg) = 9.840e-01 @@ -26334,7 +26334,7 @@ H2Sg(g) 2.43 2.662e+02 0.472 4.135e+00 3.954e+00 -1.815e-01 Specific Conductance (µS/cm, 160°C) = 543 Density (g/cm³) = 0.95432 Volume (L) = 1.21967 - Viscosity (mPa s) = 0.17768 + Viscosity (mPa s) = 0.17769 Activity of water = 0.935 Ionic strength (mol/kgw) = 7.836e-04 Mass of water (kg) = 9.920e-01 @@ -26408,7 +26408,7 @@ H2Sg(g) 2.42 2.640e+02 0.488 3.954e+00 3.770e+00 -1.837e-01 Specific Conductance (µS/cm, 165°C) = 533 Density (g/cm³) = 0.95214 Volume (L) = 1.22880 - Viscosity (mPa s) = 0.17211 + Viscosity (mPa s) = 0.17212 Activity of water = 0.933 Ionic strength (mol/kgw) = 7.677e-04 Mass of water (kg) = 9.918e-01 @@ -26556,7 +26556,7 @@ H2Sg(g) 2.41 2.595e+02 0.518 3.585e+00 3.398e+00 -1.867e-01 Specific Conductance (µS/cm, 175°C) = 509 Density (g/cm³) = 0.94780 Volume (L) = 1.24739 - Viscosity (mPa s) = 0.16199 + Viscosity (mPa s) = 0.16200 Activity of water = 0.929 Ionic strength (mol/kgw) = 7.326e-04 Mass of water (kg) = 9.914e-01 @@ -26704,7 +26704,7 @@ H2Sg(g) 2.41 2.544e+02 0.549 3.211e+00 3.023e+00 -1.880e-01 Specific Conductance (µS/cm, 185°C) = 482 Density (g/cm³) = 0.94352 Volume (L) = 1.26631 - Viscosity (mPa s) = 0.15304 + Viscosity (mPa s) = 0.15305 Activity of water = 0.924 Ionic strength (mol/kgw) = 6.938e-04 Mass of water (kg) = 9.911e-01 @@ -26778,7 +26778,7 @@ H2Sg(g) 2.40 2.517e+02 0.563 3.023e+00 2.835e+00 -1.880e-01 Specific Conductance (µS/cm, 190°C) = 467 Density (g/cm³) = 0.94141 Volume (L) = 1.27586 - Viscosity (mPa s) = 0.14894 + Viscosity (mPa s) = 0.14895 Activity of water = 0.922 Ionic strength (mol/kgw) = 6.734e-04 Mass of water (kg) = 9.910e-01 @@ -26852,7 +26852,7 @@ H2Sg(g) 2.40 2.488e+02 0.578 2.835e+00 2.647e+00 -1.877e-01 Specific Conductance (µS/cm, 195°C) = 452 Density (g/cm³) = 0.93933 Volume (L) = 1.28545 - Viscosity (mPa s) = 0.14505 + Viscosity (mPa s) = 0.14506 Activity of water = 0.920 Ionic strength (mol/kgw) = 6.525e-04 Mass of water (kg) = 9.909e-01 @@ -26926,7 +26926,7 @@ H2Sg(g) 2.39 2.458e+02 0.592 2.647e+00 2.460e+00 -1.870e-01 Specific Conductance (µS/cm, 200°C) = 437 Density (g/cm³) = 0.93728 Volume (L) = 1.29506 - Viscosity (mPa s) = 0.14133 + Viscosity (mPa s) = 0.14135 Activity of water = 0.917 Ionic strength (mol/kgw) = 6.312e-04 Mass of water (kg) = 9.909e-01 @@ -27000,7 +27000,7 @@ H2Sg(g) 2.39 2.427e+02 0.607 2.460e+00 2.274e+00 -1.861e-01 Specific Conductance (µS/cm, 205°C) = 423 Density (g/cm³) = 0.93526 Volume (L) = 1.30468 - Viscosity (mPa s) = 0.13751 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13756 (solute contributions limited to 200 °C) Activity of water = 0.915 Ionic strength (mol/kgw) = 6.096e-04 Mass of water (kg) = 9.910e-01 @@ -27074,7 +27074,7 @@ H2Sg(g) 2.38 2.394e+02 0.621 2.274e+00 2.089e+00 -1.849e-01 Specific Conductance (µS/cm, 210°C) = 402 Density (g/cm³) = 0.93330 Volume (L) = 1.31428 - Viscosity (mPa s) = 0.13513 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13510 (solute contributions limited to 200 °C) Activity of water = 0.913 Ionic strength (mol/kgw) = 5.879e-04 Mass of water (kg) = 9.911e-01 @@ -27148,7 +27148,7 @@ H2Sg(g) 2.37 2.360e+02 0.635 2.089e+00 1.905e+00 -1.836e-01 Specific Conductance (µS/cm, 215°C) = 388 Density (g/cm³) = 0.93140 Volume (L) = 1.32385 - Viscosity (mPa s) = 0.13176 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13175 (solute contributions limited to 200 °C) Activity of water = 0.911 Ionic strength (mol/kgw) = 5.661e-04 Mass of water (kg) = 9.913e-01 @@ -27222,7 +27222,7 @@ H2Sg(g) 2.37 2.324e+02 0.648 1.905e+00 1.723e+00 -1.821e-01 Specific Conductance (µS/cm, 220°C) = 373 Density (g/cm³) = 0.92959 Volume (L) = 1.33337 - Viscosity (mPa s) = 0.12873 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12872 (solute contributions limited to 200 °C) Activity of water = 0.908 Ionic strength (mol/kgw) = 5.444e-04 Mass of water (kg) = 9.915e-01 @@ -27296,7 +27296,7 @@ H2Sg(g) 2.36 2.286e+02 0.662 1.723e+00 1.542e+00 -1.806e-01 Specific Conductance (µS/cm, 225°C) = 357 Density (g/cm³) = 0.92787 Volume (L) = 1.34280 - Viscosity (mPa s) = 0.12587 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12586 (solute contributions limited to 200 °C) Activity of water = 0.906 Ionic strength (mol/kgw) = 5.228e-04 Mass of water (kg) = 9.918e-01 @@ -29116,7 +29116,7 @@ H2Sg(g) 2.52 3.276e+02 0.303 5.440e+00 5.282e+00 -1.579e-01 Specific Conductance (µS/cm, 115°C) = 569 Density (g/cm³) = 0.97772 Volume (L) = 1.14708 - Viscosity (mPa s) = 0.25204 + Viscosity (mPa s) = 0.25205 Activity of water = 0.951 Ionic strength (mol/kgw) = 8.734e-04 Mass of water (kg) = 9.948e-01 @@ -29486,7 +29486,7 @@ H2Sg(g) 2.50 3.190e+02 0.380 4.579e+00 4.386e+00 -1.927e-01 Specific Conductance (µS/cm, 140°C) = 578 Density (g/cm³) = 0.96760 Volume (L) = 1.18925 - Viscosity (mPa s) = 0.20542 + Viscosity (mPa s) = 0.20543 Activity of water = 0.941 Ionic strength (mol/kgw) = 8.564e-04 Mass of water (kg) = 9.935e-01 @@ -29560,7 +29560,7 @@ H2Sg(g) 2.50 3.170e+02 0.395 4.386e+00 4.187e+00 -1.988e-01 Specific Conductance (µS/cm, 145°C) = 574 Density (g/cm³) = 0.96570 Volume (L) = 1.19838 - Viscosity (mPa s) = 0.19806 + Viscosity (mPa s) = 0.19807 Activity of water = 0.938 Ionic strength (mol/kgw) = 8.471e-04 Mass of water (kg) = 9.932e-01 @@ -29708,7 +29708,7 @@ H2Sg(g) 2.50 3.127e+02 0.426 3.982e+00 3.772e+00 -2.101e-01 Specific Conductance (µS/cm, 155°C) = 561 Density (g/cm³) = 0.96203 Volume (L) = 1.21726 - Viscosity (mPa s) = 0.18483 + Viscosity (mPa s) = 0.18484 Activity of water = 0.934 Ionic strength (mol/kgw) = 8.234e-04 Mass of water (kg) = 9.929e-01 @@ -29782,7 +29782,7 @@ H2Sg(g) 2.49 3.103e+02 0.442 3.772e+00 3.557e+00 -2.152e-01 Specific Conductance (µS/cm, 160°C) = 552 Density (g/cm³) = 0.96028 Volume (L) = 1.22697 - Viscosity (mPa s) = 0.17887 + Viscosity (mPa s) = 0.17888 Activity of water = 0.931 Ionic strength (mol/kgw) = 8.093e-04 Mass of water (kg) = 9.927e-01 @@ -30004,7 +30004,7 @@ H2Sg(g) 2.48 3.025e+02 0.487 3.113e+00 2.884e+00 -2.286e-01 Specific Conductance (µS/cm, 175°C) = 517 Density (g/cm³) = 0.95543 Volume (L) = 1.25708 - Viscosity (mPa s) = 0.16316 + Viscosity (mPa s) = 0.16317 Activity of water = 0.924 Ionic strength (mol/kgw) = 7.594e-04 Mass of water (kg) = 9.926e-01 @@ -30152,7 +30152,7 @@ H2Sg(g) 2.47 2.966e+02 0.517 2.652e+00 2.416e+00 -2.360e-01 Specific Conductance (µS/cm, 185°C) = 490 Density (g/cm³) = 0.95259 Volume (L) = 1.27781 - Viscosity (mPa s) = 0.15420 + Viscosity (mPa s) = 0.15421 Activity of water = 0.918 Ionic strength (mol/kgw) = 7.213e-04 Mass of water (kg) = 9.928e-01 @@ -30300,7 +30300,7 @@ H2Sg(g) 2.46 2.902e+02 0.547 2.176e+00 1.934e+00 -2.425e-01 Specific Conductance (µS/cm, 195°C) = 460 Density (g/cm³) = 0.95017 Volume (L) = 1.29891 - Viscosity (mPa s) = 0.14621 + Viscosity (mPa s) = 0.14622 Activity of water = 0.913 Ionic strength (mol/kgw) = 6.804e-04 Mass of water (kg) = 9.934e-01 @@ -30374,7 +30374,7 @@ H2Sg(g) 2.46 2.868e+02 0.562 1.934e+00 1.688e+00 -2.456e-01 Specific Conductance (µS/cm, 200°C) = 445 Density (g/cm³) = 0.94915 Volume (L) = 1.30956 - Viscosity (mPa s) = 0.14252 + Viscosity (mPa s) = 0.14253 Activity of water = 0.910 Ionic strength (mol/kgw) = 6.593e-04 Mass of water (kg) = 9.938e-01 @@ -30448,7 +30448,7 @@ H2Sg(g) 2.45 2.832e+02 0.576 1.688e+00 1.440e+00 -2.486e-01 Specific Conductance (µS/cm, 205°C) = 430 Density (g/cm³) = 0.94827 Volume (L) = 1.32025 - Viscosity (mPa s) = 0.13893 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13895 (solute contributions limited to 200 °C) Activity of water = 0.907 Ionic strength (mol/kgw) = 6.379e-04 Mass of water (kg) = 9.943e-01 @@ -30519,10 +30519,10 @@ H2Sg(g) 2.45 2.795e+02 0.591 1.440e+00 1.188e+00 -2.516e-01 pH = 3.254 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 210°C) = 389 + Specific Conductance (µS/cm, 210°C) = 391 Density (g/cm³) = 0.94757 Volume (L) = 1.33097 - Viscosity (mPa s) = 0.14008 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13972 (solute contributions limited to 200 °C) Activity of water = 0.904 Ionic strength (mol/kgw) = 6.162e-04 Mass of water (kg) = 9.950e-01 @@ -30596,7 +30596,7 @@ H2Sg(g) 2.44 2.757e+02 0.605 1.188e+00 9.333e-01 -2.548e-01 Specific Conductance (µS/cm, 215°C) = 396 Density (g/cm³) = 0.94707 Volume (L) = 1.34167 - Viscosity (mPa s) = 0.13299 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13298 (solute contributions limited to 200 °C) Activity of water = 0.901 Ionic strength (mol/kgw) = 5.945e-04 Mass of water (kg) = 9.957e-01 @@ -30670,7 +30670,7 @@ H2Sg(g) 2.43 2.717e+02 0.620 9.333e-01 6.750e-01 -2.583e-01 Specific Conductance (µS/cm, 220°C) = 381 Density (g/cm³) = 0.94681 Volume (L) = 1.35234 - Viscosity (mPa s) = 0.12992 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12991 (solute contributions limited to 200 °C) Activity of water = 0.899 Ionic strength (mol/kgw) = 5.729e-04 Mass of water (kg) = 9.967e-01 @@ -30744,7 +30744,7 @@ H2Sg(g) 2.43 2.676e+02 0.634 6.750e-01 4.128e-01 -2.622e-01 Specific Conductance (µS/cm, 225°C) = 366 Density (g/cm³) = 0.94684 Volume (L) = 1.36295 - Viscosity (mPa s) = 0.12705 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12704 (solute contributions limited to 200 °C) Activity of water = 0.896 Ionic strength (mol/kgw) = 5.513e-04 Mass of water (kg) = 9.978e-01 @@ -30880,7 +30880,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 337 Density (g/cm³) = 0.94618 Volume (L) = 1.38105 - Viscosity (mPa s) = 0.12173 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12172 (solute contributions limited to 200 °C) Activity of water = 0.891 Ionic strength (mol/kgw) = 5.066e-04 Mass of water (kg) = 1.000e+00 @@ -32886,7 +32886,7 @@ H2Sg(g) 2.56 3.647e+02 0.359 4.342e+00 4.126e+00 -2.161e-01 Specific Conductance (µS/cm, 140°C) = 586 Density (g/cm³) = 0.97150 Volume (L) = 1.19400 - Viscosity (mPa s) = 0.20664 + Viscosity (mPa s) = 0.20665 Activity of water = 0.938 Ionic strength (mol/kgw) = 8.789e-04 Mass of water (kg) = 9.939e-01 @@ -32960,7 +32960,7 @@ H2Sg(g) 2.56 3.624e+02 0.374 4.126e+00 3.902e+00 -2.243e-01 Specific Conductance (µS/cm, 145°C) = 581 Density (g/cm³) = 0.96987 Volume (L) = 1.20373 - Viscosity (mPa s) = 0.19927 + Viscosity (mPa s) = 0.19928 Activity of water = 0.935 Ionic strength (mol/kgw) = 8.700e-04 Mass of water (kg) = 9.937e-01 @@ -33404,7 +33404,7 @@ H2Sg(g) 2.54 3.459e+02 0.464 2.665e+00 2.396e+00 -2.691e-01 Specific Conductance (µS/cm, 175°C) = 523 Density (g/cm³) = 0.96212 Volume (L) = 1.26694 - Viscosity (mPa s) = 0.16432 + Viscosity (mPa s) = 0.16433 Activity of water = 0.919 Ionic strength (mol/kgw) = 7.844e-04 Mass of water (kg) = 9.939e-01 @@ -33478,7 +33478,7 @@ H2Sg(g) 2.53 3.427e+02 0.479 2.396e+00 2.120e+00 -2.761e-01 Specific Conductance (µS/cm, 180°C) = 510 Density (g/cm³) = 0.96127 Volume (L) = 1.27816 - Viscosity (mPa s) = 0.15970 + Viscosity (mPa s) = 0.15971 Activity of water = 0.916 Ionic strength (mol/kgw) = 7.660e-04 Mass of water (kg) = 9.942e-01 @@ -33552,7 +33552,7 @@ H2Sg(g) 2.53 3.393e+02 0.494 2.120e+00 1.837e+00 -2.830e-01 Specific Conductance (µS/cm, 185°C) = 496 Density (g/cm³) = 0.96057 Volume (L) = 1.28954 - Viscosity (mPa s) = 0.15535 + Viscosity (mPa s) = 0.15536 Activity of water = 0.913 Ionic strength (mol/kgw) = 7.467e-04 Mass of water (kg) = 9.946e-01 @@ -33700,7 +33700,7 @@ H2Sg(g) 2.52 3.321e+02 0.523 1.547e+00 1.250e+00 -2.970e-01 Specific Conductance (µS/cm, 195°C) = 466 Density (g/cm³) = 0.95974 Volume (L) = 1.31271 - Viscosity (mPa s) = 0.14736 + Viscosity (mPa s) = 0.14737 Activity of water = 0.906 Ionic strength (mol/kgw) = 7.061e-04 Mass of water (kg) = 9.957e-01 @@ -33774,7 +33774,7 @@ H2Sg(g) 2.52 3.283e+02 0.538 1.250e+00 9.460e-01 -3.042e-01 Specific Conductance (µS/cm, 200°C) = 451 Density (g/cm³) = 0.95965 Volume (L) = 1.32447 - Viscosity (mPa s) = 0.14368 + Viscosity (mPa s) = 0.14369 Activity of water = 0.903 Ionic strength (mol/kgw) = 6.851e-04 Mass of water (kg) = 9.965e-01 @@ -33845,10 +33845,10 @@ H2Sg(g) 2.51 3.244e+02 0.553 9.460e-01 6.344e-01 -3.117e-01 pH = 3.223 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 205°C) = 436 + Specific Conductance (µS/cm, 205°C) = 435 Density (g/cm³) = 0.95982 Volume (L) = 1.33632 - Viscosity (mPa s) = 0.14014 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14016 (solute contributions limited to 200 °C) Activity of water = 0.900 Ionic strength (mol/kgw) = 6.637e-04 Mass of water (kg) = 9.975e-01 @@ -33922,7 +33922,7 @@ H2Sg(g) 2.51 3.203e+02 0.567 6.344e-01 3.148e-01 -3.196e-01 Specific Conductance (µS/cm, 210°C) = 422 Density (g/cm³) = 0.96028 Volume (L) = 1.34823 - Viscosity (mPa s) = 0.13649 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13654 (solute contributions limited to 200 °C) Activity of water = 0.896 Ionic strength (mol/kgw) = 6.421e-04 Mass of water (kg) = 9.987e-01 @@ -33984,7 +33984,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 401 Density (g/cm³) = 0.96092 Volume (L) = 1.35986 - Viscosity (mPa s) = 0.13437 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13433 (solute contributions limited to 200 °C) Activity of water = 0.893 Ionic strength (mol/kgw) = 6.201e-04 Mass of water (kg) = 1.000e+00 @@ -34046,7 +34046,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 386 Density (g/cm³) = 0.95792 Volume (L) = 1.36413 - Viscosity (mPa s) = 0.13110 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13109 (solute contributions limited to 200 °C) Activity of water = 0.893 Ionic strength (mol/kgw) = 5.918e-04 Mass of water (kg) = 1.000e+00 @@ -34108,7 +34108,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 370 Density (g/cm³) = 0.95496 Volume (L) = 1.36835 - Viscosity (mPa s) = 0.12821 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12820 (solute contributions limited to 200 °C) Activity of water = 0.892 Ionic strength (mol/kgw) = 5.641e-04 Mass of water (kg) = 1.000e+00 @@ -34170,7 +34170,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 354 Density (g/cm³) = 0.95208 Volume (L) = 1.37249 - Viscosity (mPa s) = 0.12548 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12547 (solute contributions limited to 200 °C) Activity of water = 0.892 Ionic strength (mol/kgw) = 5.373e-04 Mass of water (kg) = 1.000e+00 @@ -34418,7 +34418,7 @@ Using pressure 1. Specific Conductance (µS/cm, 250°C) = 295 Density (g/cm³) = 0.94190 Volume (L) = 1.38732 - Viscosity (mPa s) = 0.11574 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11573 (solute contributions limited to 200 °C) Activity of water = 0.891 Ionic strength (mol/kgw) = 4.383e-04 Mass of water (kg) = 1.000e+00 @@ -35794,7 +35794,7 @@ H2Sg(g) 2.63 4.232e+02 0.260 5.337e+00 5.160e+00 -1.768e-01 Specific Conductance (µS/cm, 110°C) = 576 Density (g/cm³) = 0.98516 Volume (L) = 1.14323 - Viscosity (mPa s) = 0.26646 + Viscosity (mPa s) = 0.26647 Activity of water = 0.949 Ionic strength (mol/kgw) = 9.081e-04 Mass of water (kg) = 9.954e-01 @@ -36016,7 +36016,7 @@ H2Sg(g) 2.62 4.174e+02 0.301 4.776e+00 4.568e+00 -2.078e-01 Specific Conductance (µS/cm, 125°C) = 594 Density (g/cm³) = 0.97967 Volume (L) = 1.16955 - Viscosity (mPa s) = 0.23364 + Viscosity (mPa s) = 0.23365 Activity of water = 0.943 Ionic strength (mol/kgw) = 9.140e-04 Mass of water (kg) = 9.947e-01 @@ -36090,7 +36090,7 @@ H2Sg(g) 2.62 4.152e+02 0.315 4.568e+00 4.350e+00 -2.181e-01 Specific Conductance (µS/cm, 130°C) = 596 Density (g/cm³) = 0.97799 Volume (L) = 1.17897 - Viscosity (mPa s) = 0.22437 + Viscosity (mPa s) = 0.22438 Activity of water = 0.941 Ionic strength (mol/kgw) = 9.115e-04 Mass of water (kg) = 9.945e-01 @@ -36238,7 +36238,7 @@ H2Sg(g) 2.61 4.104e+02 0.344 4.122e+00 3.883e+00 -2.385e-01 Specific Conductance (µS/cm, 140°C) = 592 Density (g/cm³) = 0.97489 Volume (L) = 1.19876 - Viscosity (mPa s) = 0.20785 + Viscosity (mPa s) = 0.20786 Activity of water = 0.936 Ionic strength (mol/kgw) = 9.004e-04 Mass of water (kg) = 9.943e-01 @@ -36312,7 +36312,7 @@ H2Sg(g) 2.61 4.079e+02 0.358 3.883e+00 3.634e+00 -2.486e-01 Specific Conductance (µS/cm, 145°C) = 588 Density (g/cm³) = 0.97348 Volume (L) = 1.20910 - Viscosity (mPa s) = 0.20047 + Viscosity (mPa s) = 0.20048 Activity of water = 0.933 Ionic strength (mol/kgw) = 8.919e-04 Mass of water (kg) = 9.942e-01 @@ -36460,7 +36460,7 @@ H2Sg(g) 2.60 4.023e+02 0.387 3.376e+00 3.107e+00 -2.687e-01 Specific Conductance (µS/cm, 155°C) = 573 Density (g/cm³) = 0.97104 Volume (L) = 1.23066 - Viscosity (mPa s) = 0.18720 + Viscosity (mPa s) = 0.18721 Activity of water = 0.927 Ionic strength (mol/kgw) = 8.697e-04 Mass of water (kg) = 9.942e-01 @@ -36608,7 +36608,7 @@ H2Sg(g) 2.60 3.962e+02 0.417 2.828e+00 2.540e+00 -2.887e-01 Specific Conductance (µS/cm, 165°C) = 553 Density (g/cm³) = 0.96914 Volume (L) = 1.25332 - Viscosity (mPa s) = 0.17563 + Viscosity (mPa s) = 0.17564 Activity of water = 0.921 Ionic strength (mol/kgw) = 8.414e-04 Mass of water (kg) = 9.945e-01 @@ -36978,7 +36978,7 @@ H2Sg(g) 2.58 3.784e+02 0.490 1.284e+00 9.439e-01 -3.401e-01 Specific Conductance (µS/cm, 190°C) = 485 Density (g/cm³) = 0.96762 Volume (L) = 1.31415 - Viscosity (mPa s) = 0.15238 + Viscosity (mPa s) = 0.15239 Activity of water = 0.904 Ionic strength (mol/kgw) = 7.506e-04 Mass of water (kg) = 9.970e-01 @@ -37126,7 +37126,7 @@ H2Sg(g) 2.57 3.702e+02 0.520 5.927e-01 2.298e-01 -3.629e-01 Specific Conductance (µS/cm, 200°C) = 454 Density (g/cm³) = 0.96879 Volume (L) = 1.33989 - Viscosity (mPa s) = 0.14481 + Viscosity (mPa s) = 0.14482 Activity of water = 0.897 Ionic strength (mol/kgw) = 7.091e-04 Mass of water (kg) = 9.992e-01 @@ -37188,7 +37188,7 @@ Using pressure 1. Specific Conductance (µS/cm, 205°C) = 439 Density (g/cm³) = 0.96830 Volume (L) = 1.34950 - Viscosity (mPa s) = 0.14130 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14132 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.844e-04 Mass of water (kg) = 1.000e+00 @@ -37250,7 +37250,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 423 Density (g/cm³) = 0.96540 Volume (L) = 1.35355 - Viscosity (mPa s) = 0.13789 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13791 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.546e-04 Mass of water (kg) = 1.000e+00 @@ -37309,10 +37309,10 @@ Using pressure 1. pH = 3.251 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 215°C) = 354 + Specific Conductance (µS/cm, 215°C) = 357 Density (g/cm³) = 0.96252 Volume (L) = 1.35760 - Viscosity (mPa s) = 0.14492 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14405 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.254e-04 Mass of water (kg) = 1.000e+00 @@ -37374,7 +37374,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 387 Density (g/cm³) = 0.95968 Volume (L) = 1.36162 - Viscosity (mPa s) = 0.13230 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13228 (solute contributions limited to 200 °C) Activity of water = 0.893 Ionic strength (mol/kgw) = 5.969e-04 Mass of water (kg) = 1.000e+00 @@ -37436,7 +37436,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 372 Density (g/cm³) = 0.95689 Volume (L) = 1.36559 - Viscosity (mPa s) = 0.12935 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12934 (solute contributions limited to 200 °C) Activity of water = 0.893 Ionic strength (mol/kgw) = 5.691e-04 Mass of water (kg) = 1.000e+00 @@ -37557,10 +37557,10 @@ Using pressure 1. pH = 3.334 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 235°C) = 340 + Specific Conductance (µS/cm, 235°C) = 341 Density (g/cm³) = 0.95157 Volume (L) = 1.37323 - Viscosity (mPa s) = 0.12402 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12401 (solute contributions limited to 200 °C) Activity of water = 0.893 Ionic strength (mol/kgw) = 5.158e-04 Mass of water (kg) = 1.000e+00 @@ -37622,7 +37622,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 325 Density (g/cm³) = 0.94909 Volume (L) = 1.37681 - Viscosity (mPa s) = 0.12154 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12153 (solute contributions limited to 200 °C) Activity of water = 0.892 Ionic strength (mol/kgw) = 4.905e-04 Mass of water (kg) = 1.000e+00 @@ -39418,7 +39418,7 @@ H2Sg(g) 2.66 4.616e+02 0.305 4.399e+00 4.163e+00 -2.359e-01 Specific Conductance (µS/cm, 130°C) = 602 Density (g/cm³) = 0.98060 Volume (L) = 1.18259 - Viscosity (mPa s) = 0.22560 + Viscosity (mPa s) = 0.22561 Activity of water = 0.939 Ionic strength (mol/kgw) = 9.316e-04 Mass of water (kg) = 9.948e-01 @@ -40306,7 +40306,7 @@ H2Sg(g) 2.62 4.215e+02 0.476 7.537e-01 3.637e-01 -3.900e-01 Specific Conductance (µS/cm, 190°C) = 488 Density (g/cm³) = 0.97408 Volume (L) = 1.32762 - Viscosity (mPa s) = 0.15350 + Viscosity (mPa s) = 0.15351 Activity of water = 0.899 Ionic strength (mol/kgw) = 7.734e-04 Mass of water (kg) = 9.989e-01 @@ -40430,7 +40430,7 @@ Using pressure 1. Specific Conductance (µS/cm, 200°C) = 456 Density (g/cm³) = 0.97195 Volume (L) = 1.34444 - Viscosity (mPa s) = 0.14593 + Viscosity (mPa s) = 0.14594 Activity of water = 0.895 Ionic strength (mol/kgw) = 7.209e-04 Mass of water (kg) = 1.000e+00 @@ -40492,7 +40492,7 @@ Using pressure 1. Specific Conductance (µS/cm, 205°C) = 440 Density (g/cm³) = 0.96915 Volume (L) = 1.34831 - Viscosity (mPa s) = 0.14244 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14245 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.904e-04 Mass of water (kg) = 1.000e+00 @@ -40551,10 +40551,10 @@ Using pressure 1. pH = 3.227 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 210°C) = 424 + Specific Conductance (µS/cm, 210°C) = 423 Density (g/cm³) = 0.96637 Volume (L) = 1.35220 - Viscosity (mPa s) = 0.13908 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13909 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.603e-04 Mass of water (kg) = 1.000e+00 @@ -40616,7 +40616,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 409 Density (g/cm³) = 0.96361 Volume (L) = 1.35606 - Viscosity (mPa s) = 0.13561 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13566 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.309e-04 Mass of water (kg) = 1.000e+00 @@ -40678,7 +40678,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 387 Density (g/cm³) = 0.96090 Volume (L) = 1.35990 - Viscosity (mPa s) = 0.13367 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13362 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.022e-04 Mass of water (kg) = 1.000e+00 @@ -40740,7 +40740,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 373 Density (g/cm³) = 0.95823 Volume (L) = 1.36367 - Viscosity (mPa s) = 0.13050 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13049 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.742e-04 Mass of water (kg) = 1.000e+00 @@ -40802,7 +40802,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 357 Density (g/cm³) = 0.95565 Volume (L) = 1.36736 - Viscosity (mPa s) = 0.12774 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12773 (solute contributions limited to 200 °C) Activity of water = 0.893 Ionic strength (mol/kgw) = 5.469e-04 Mass of water (kg) = 1.000e+00 @@ -42278,7 +42278,7 @@ H2Sg(g) 2.72 5.216e+02 0.219 5.486e+00 5.311e+00 -1.749e-01 Specific Conductance (µS/cm, 100°C) = 567 Density (g/cm³) = 0.99316 Volume (L) = 1.12958 - Viscosity (mPa s) = 0.29619 + Viscosity (mPa s) = 0.29620 Activity of water = 0.951 Ionic strength (mol/kgw) = 9.265e-04 Mass of water (kg) = 9.961e-01 @@ -42722,7 +42722,7 @@ H2Sg(g) 2.71 5.080e+02 0.297 4.244e+00 3.992e+00 -2.528e-01 Specific Conductance (µS/cm, 130°C) = 608 Density (g/cm³) = 0.98285 Volume (L) = 1.18611 - Viscosity (mPa s) = 0.22682 + Viscosity (mPa s) = 0.22683 Activity of water = 0.937 Ionic strength (mol/kgw) = 9.511e-04 Mass of water (kg) = 9.951e-01 @@ -42944,7 +42944,7 @@ H2Sg(g) 2.70 4.993e+02 0.338 3.445e+00 3.151e+00 -2.943e-01 Specific Conductance (µS/cm, 145°C) = 598 Density (g/cm³) = 0.97921 Volume (L) = 1.21976 - Viscosity (mPa s) = 0.20285 + Viscosity (mPa s) = 0.20286 Activity of water = 0.928 Ionic strength (mol/kgw) = 9.335e-04 Mass of water (kg) = 9.951e-01 @@ -43018,7 +43018,7 @@ H2Sg(g) 2.70 4.961e+02 0.352 3.151e+00 2.842e+00 -3.086e-01 Specific Conductance (µS/cm, 150°C) = 591 Density (g/cm³) = 0.97831 Volume (L) = 1.23176 - Viscosity (mPa s) = 0.19596 + Viscosity (mPa s) = 0.19597 Activity of water = 0.925 Ionic strength (mol/kgw) = 9.238e-04 Mass of water (kg) = 9.952e-01 @@ -43166,7 +43166,7 @@ H2Sg(g) 2.69 4.892e+02 0.380 2.519e+00 2.181e+00 -3.381e-01 Specific Conductance (µS/cm, 160°C) = 572 Density (g/cm³) = 0.97707 Volume (L) = 1.25692 - Viscosity (mPa s) = 0.18354 + Viscosity (mPa s) = 0.18355 Activity of water = 0.918 Ionic strength (mol/kgw) = 8.994e-04 Mass of water (kg) = 9.957e-01 @@ -43314,7 +43314,7 @@ H2Sg(g) 2.68 4.817e+02 0.408 1.827e+00 1.458e+00 -3.692e-01 Specific Conductance (µS/cm, 170°C) = 548 Density (g/cm³) = 0.97671 Volume (L) = 1.28359 - Viscosity (mPa s) = 0.17267 + Viscosity (mPa s) = 0.17268 Activity of water = 0.910 Ionic strength (mol/kgw) = 8.691e-04 Mass of water (kg) = 9.967e-01 @@ -43598,7 +43598,7 @@ Using pressure 1. Specific Conductance (µS/cm, 190°C) = 489 Density (g/cm³) = 0.97775 Volume (L) = 1.33646 - Viscosity (mPa s) = 0.15461 + Viscosity (mPa s) = 0.15462 Activity of water = 0.895 Ionic strength (mol/kgw) = 7.902e-04 Mass of water (kg) = 1.000e+00 @@ -43660,7 +43660,7 @@ Using pressure 1. Specific Conductance (µS/cm, 195°C) = 473 Density (g/cm³) = 0.97504 Volume (L) = 1.34017 - Viscosity (mPa s) = 0.15072 + Viscosity (mPa s) = 0.15073 Activity of water = 0.895 Ionic strength (mol/kgw) = 7.586e-04 Mass of water (kg) = 1.000e+00 @@ -43784,7 +43784,7 @@ Using pressure 1. Specific Conductance (µS/cm, 205°C) = 441 Density (g/cm³) = 0.96963 Volume (L) = 1.34764 - Viscosity (mPa s) = 0.14354 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14355 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.966e-04 Mass of water (kg) = 1.000e+00 @@ -43846,7 +43846,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 424 Density (g/cm³) = 0.96695 Volume (L) = 1.35139 - Viscosity (mPa s) = 0.14021 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14022 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.663e-04 Mass of water (kg) = 1.000e+00 @@ -43905,10 +43905,10 @@ Using pressure 1. pH = 3.243 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 215°C) = 409 + Specific Conductance (µS/cm, 215°C) = 408 Density (g/cm³) = 0.96428 Volume (L) = 1.35512 - Viscosity (mPa s) = 0.13696 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13698 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.367e-04 Mass of water (kg) = 1.000e+00 @@ -43967,10 +43967,10 @@ Using pressure 1. pH = 3.263 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 220°C) = 465 + Specific Conductance (µS/cm, 220°C) = 458 Density (g/cm³) = 0.96166 Volume (L) = 1.35881 - Viscosity (mPa s) = 0.12337 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12432 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.077e-04 Mass of water (kg) = 1.000e+00 @@ -44032,7 +44032,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 373 Density (g/cm³) = 0.95910 Volume (L) = 1.36245 - Viscosity (mPa s) = 0.13168 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13166 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.794e-04 Mass of water (kg) = 1.000e+00 @@ -44094,7 +44094,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 358 Density (g/cm³) = 0.95660 Volume (L) = 1.36600 - Viscosity (mPa s) = 0.12885 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12884 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.520e-04 Mass of water (kg) = 1.000e+00 @@ -44215,7 +44215,7 @@ Using pressure 1. pH = 3.347 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 240°C) = 327 + Specific Conductance (µS/cm, 240°C) = 328 Density (g/cm³) = 0.95193 Volume (L) = 1.37270 Viscosity (mPa s) = 0.12375 (solute contributions limited to 200 °C) @@ -45718,7 +45718,7 @@ H2Sg(g) 2.75 5.649e+02 0.239 5.031e+00 4.821e+00 -2.106e-01 Specific Conductance (µS/cm, 110°C) = 596 Density (g/cm³) = 0.99113 Volume (L) = 1.14843 - Viscosity (mPa s) = 0.27028 + Viscosity (mPa s) = 0.27029 Activity of water = 0.946 Ionic strength (mol/kgw) = 9.616e-04 Mass of water (kg) = 9.958e-01 @@ -45792,7 +45792,7 @@ H2Sg(g) 2.75 5.625e+02 0.252 4.821e+00 4.596e+00 -2.247e-01 Specific Conductance (µS/cm, 115°C) = 604 Density (g/cm³) = 0.98938 Volume (L) = 1.15803 - Viscosity (mPa s) = 0.25837 + Viscosity (mPa s) = 0.25838 Activity of water = 0.943 Ionic strength (mol/kgw) = 9.673e-04 Mass of water (kg) = 9.956e-01 @@ -46455,7 +46455,7 @@ H2Sg(g) 2.73 5.344e+02 0.373 2.255e+00 1.889e+00 -3.661e-01 pH = 3.078 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 576 + Specific Conductance (µS/cm, 160°C) = 575 Density (g/cm³) = 0.97970 Volume (L) = 1.26433 Viscosity (mPa s) = 0.18469 @@ -46680,7 +46680,7 @@ H2Sg(g) 2.72 5.221e+02 0.415 1.102e+00 6.800e-01 -4.223e-01 Specific Conductance (µS/cm, 175°C) = 536 Density (g/cm³) = 0.98024 Volume (L) = 1.30775 - Viscosity (mPa s) = 0.16885 + Viscosity (mPa s) = 0.16886 Activity of water = 0.903 Ionic strength (mol/kgw) = 8.730e-04 Mass of water (kg) = 9.984e-01 @@ -46816,7 +46816,7 @@ Using pressure 1. Specific Conductance (µS/cm, 185°C) = 506 Density (g/cm³) = 0.98034 Volume (L) = 1.33292 - Viscosity (mPa s) = 0.15983 + Viscosity (mPa s) = 0.15984 Activity of water = 0.896 Ionic strength (mol/kgw) = 8.297e-04 Mass of water (kg) = 1.000e+00 @@ -46940,7 +46940,7 @@ Using pressure 1. Specific Conductance (µS/cm, 195°C) = 474 Density (g/cm³) = 0.97508 Volume (L) = 1.34011 - Viscosity (mPa s) = 0.15181 + Viscosity (mPa s) = 0.15182 Activity of water = 0.895 Ionic strength (mol/kgw) = 7.657e-04 Mass of water (kg) = 1.000e+00 @@ -47061,10 +47061,10 @@ Using pressure 1. pH = 3.200 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 205°C) = 442 + Specific Conductance (µS/cm, 205°C) = 441 Density (g/cm³) = 0.96982 Volume (L) = 1.34738 - Viscosity (mPa s) = 0.14463 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14464 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 7.031e-04 Mass of water (kg) = 1.000e+00 @@ -47126,7 +47126,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 425 Density (g/cm³) = 0.96721 Volume (L) = 1.35102 - Viscosity (mPa s) = 0.14131 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14132 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.726e-04 Mass of water (kg) = 1.000e+00 @@ -47188,7 +47188,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 409 Density (g/cm³) = 0.96462 Volume (L) = 1.35465 - Viscosity (mPa s) = 0.13812 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13813 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.426e-04 Mass of water (kg) = 1.000e+00 @@ -47250,7 +47250,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 394 Density (g/cm³) = 0.96207 Volume (L) = 1.35824 - Viscosity (mPa s) = 0.13484 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13488 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 6.134e-04 Mass of water (kg) = 1.000e+00 @@ -47312,7 +47312,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 372 Density (g/cm³) = 0.95957 Volume (L) = 1.36177 - Viscosity (mPa s) = 0.13307 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13302 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.849e-04 Mass of water (kg) = 1.000e+00 @@ -47374,7 +47374,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 358 Density (g/cm³) = 0.95715 Volume (L) = 1.36522 - Viscosity (mPa s) = 0.12997 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12996 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.572e-04 Mass of water (kg) = 1.000e+00 @@ -47498,7 +47498,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 328 Density (g/cm³) = 0.95259 Volume (L) = 1.37176 - Viscosity (mPa s) = 0.12484 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12483 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.043e-04 Mass of water (kg) = 1.000e+00 @@ -47557,7 +47557,7 @@ Using pressure 1. pH = 3.365 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 245°C) = 313 + Specific Conductance (µS/cm, 245°C) = 314 Density (g/cm³) = 0.95050 Volume (L) = 1.37477 Viscosity (mPa s) = 0.12246 (solute contributions limited to 200 °C) @@ -47622,7 +47622,7 @@ Using pressure 1. Specific Conductance (µS/cm, 250°C) = 299 Density (g/cm³) = 0.94860 Volume (L) = 1.37753 - Viscosity (mPa s) = 0.12020 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12019 (solute contributions limited to 200 °C) Activity of water = 0.893 Ionic strength (mol/kgw) = 4.550e-04 Mass of water (kg) = 1.000e+00 @@ -48850,7 +48850,7 @@ H2Sg(g) 2.79 6.169e+02 0.212 5.345e+00 5.155e+00 -1.906e-01 Specific Conductance (µS/cm, 100°C) = 580 Density (g/cm³) = 0.99648 Volume (L) = 1.13133 - Viscosity (mPa s) = 0.29878 + Viscosity (mPa s) = 0.29879 Activity of water = 0.949 Ionic strength (mol/kgw) = 9.594e-04 Mass of water (kg) = 9.963e-01 @@ -49069,7 +49069,7 @@ H2Sg(g) 2.79 6.098e+02 0.249 4.729e+00 4.494e+00 -2.353e-01 pH = 3.039 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 115°C) = 611 + Specific Conductance (µS/cm, 115°C) = 610 Density (g/cm³) = 0.99094 Volume (L) = 1.15985 Viscosity (mPa s) = 0.25963 @@ -49220,7 +49220,7 @@ H2Sg(g) 2.78 6.043e+02 0.274 4.243e+00 3.976e+00 -2.669e-01 Specific Conductance (µS/cm, 125°C) = 618 Density (g/cm³) = 0.98778 Volume (L) = 1.18123 - Viscosity (mPa s) = 0.23857 + Viscosity (mPa s) = 0.23858 Activity of water = 0.937 Ionic strength (mol/kgw) = 9.899e-04 Mass of water (kg) = 9.956e-01 @@ -49516,7 +49516,7 @@ H2Sg(g) 2.77 5.913e+02 0.327 3.075e+00 2.740e+00 -3.355e-01 Specific Conductance (µS/cm, 145°C) = 607 Density (g/cm³) = 0.98318 Volume (L) = 1.22984 - Viscosity (mPa s) = 0.20520 + Viscosity (mPa s) = 0.20521 Activity of water = 0.924 Ionic strength (mol/kgw) = 9.730e-04 Mass of water (kg) = 9.958e-01 @@ -49812,7 +49812,7 @@ H2Sg(g) 2.76 5.756e+02 0.382 1.620e+00 1.206e+00 -4.135e-01 Specific Conductance (µS/cm, 165°C) = 566 Density (g/cm³) = 0.98184 Volume (L) = 1.28648 - Viscosity (mPa s) = 0.18019 + Viscosity (mPa s) = 0.18020 Activity of water = 0.908 Ionic strength (mol/kgw) = 9.258e-04 Mass of water (kg) = 9.975e-01 @@ -50332,7 +50332,7 @@ Using pressure 1. Specific Conductance (µS/cm, 205°C) = 442 Density (g/cm³) = 0.96977 Volume (L) = 1.34745 - Viscosity (mPa s) = 0.14571 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14572 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 7.100e-04 Mass of water (kg) = 1.000e+00 @@ -50394,7 +50394,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 426 Density (g/cm³) = 0.96722 Volume (L) = 1.35101 - Viscosity (mPa s) = 0.14239 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14240 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.791e-04 Mass of water (kg) = 1.000e+00 @@ -50456,7 +50456,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 410 Density (g/cm³) = 0.96469 Volume (L) = 1.35455 - Viscosity (mPa s) = 0.13922 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13923 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.489e-04 Mass of water (kg) = 1.000e+00 @@ -50518,7 +50518,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 394 Density (g/cm³) = 0.96219 Volume (L) = 1.35807 - Viscosity (mPa s) = 0.13613 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13615 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.194e-04 Mass of water (kg) = 1.000e+00 @@ -50577,10 +50577,10 @@ Using pressure 1. pH = 3.275 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 225°C) = 392 + Specific Conductance (µS/cm, 225°C) = 391 Density (g/cm³) = 0.95974 Volume (L) = 1.36153 - Viscosity (mPa s) = 0.13075 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13099 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 5.906e-04 Mass of water (kg) = 1.000e+00 @@ -50642,7 +50642,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 359 Density (g/cm³) = 0.95736 Volume (L) = 1.36492 - Viscosity (mPa s) = 0.13114 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13111 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.626e-04 Mass of water (kg) = 1.000e+00 @@ -50704,7 +50704,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 344 Density (g/cm³) = 0.95506 Volume (L) = 1.36821 - Viscosity (mPa s) = 0.12841 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12840 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.355e-04 Mass of water (kg) = 1.000e+00 @@ -50766,7 +50766,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 329 Density (g/cm³) = 0.95286 Volume (L) = 1.37136 - Viscosity (mPa s) = 0.12591 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12590 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.092e-04 Mass of water (kg) = 1.000e+00 @@ -50890,7 +50890,7 @@ Using pressure 1. Specific Conductance (µS/cm, 250°C) = 300 Density (g/cm³) = 0.94889 Volume (L) = 1.37711 - Viscosity (mPa s) = 0.12127 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12126 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.595e-04 Mass of water (kg) = 1.000e+00 @@ -52118,7 +52118,7 @@ H2Sg(g) 2.82 6.646e+02 0.210 5.288e+00 5.091e+00 -1.972e-01 Specific Conductance (µS/cm, 100°C) = 587 Density (g/cm³) = 0.99793 Volume (L) = 1.13195 - Viscosity (mPa s) = 0.30007 + Viscosity (mPa s) = 0.30008 Activity of water = 0.948 Ionic strength (mol/kgw) = 9.755e-04 Mass of water (kg) = 9.964e-01 @@ -52266,7 +52266,7 @@ H2Sg(g) 2.82 6.597e+02 0.234 4.878e+00 4.649e+00 -2.286e-01 Specific Conductance (µS/cm, 110°C) = 609 Density (g/cm³) = 0.99410 Volume (L) = 1.15111 - Viscosity (mPa s) = 0.27281 + Viscosity (mPa s) = 0.27282 Activity of water = 0.944 Ionic strength (mol/kgw) = 9.958e-04 Mass of water (kg) = 9.960e-01 @@ -52858,7 +52858,7 @@ H2Sg(g) 2.80 6.335e+02 0.337 2.563e+00 2.188e+00 -3.746e-01 Specific Conductance (µS/cm, 150°C) = 603 Density (g/cm³) = 0.98397 Volume (L) = 1.24859 - Viscosity (mPa s) = 0.19944 + Viscosity (mPa s) = 0.19945 Activity of water = 0.918 Ionic strength (mol/kgw) = 9.831e-04 Mass of water (kg) = 9.964e-01 @@ -53080,7 +53080,7 @@ H2Sg(g) 2.79 6.209e+02 0.378 1.375e+00 9.332e-01 -4.413e-01 Specific Conductance (µS/cm, 165°C) = 568 Density (g/cm³) = 0.98355 Volume (L) = 1.29431 - Viscosity (mPa s) = 0.18131 + Viscosity (mPa s) = 0.18132 Activity of water = 0.905 Ionic strength (mol/kgw) = 9.455e-04 Mass of water (kg) = 9.981e-01 @@ -53278,7 +53278,7 @@ Using pressure 1. Specific Conductance (µS/cm, 180°C) = 524 Density (g/cm³) = 0.98216 Volume (L) = 1.33045 - Viscosity (mPa s) = 0.16640 + Viscosity (mPa s) = 0.16641 Activity of water = 0.896 Ionic strength (mol/kgw) = 8.795e-04 Mass of water (kg) = 1.000e+00 @@ -53340,7 +53340,7 @@ Using pressure 1. Specific Conductance (µS/cm, 185°C) = 509 Density (g/cm³) = 0.97965 Volume (L) = 1.33386 - Viscosity (mPa s) = 0.16201 + Viscosity (mPa s) = 0.16202 Activity of water = 0.896 Ionic strength (mol/kgw) = 8.465e-04 Mass of water (kg) = 1.000e+00 @@ -53402,7 +53402,7 @@ Using pressure 1. Specific Conductance (µS/cm, 190°C) = 493 Density (g/cm³) = 0.97713 Volume (L) = 1.33730 - Viscosity (mPa s) = 0.15787 + Viscosity (mPa s) = 0.15788 Activity of water = 0.896 Ionic strength (mol/kgw) = 8.137e-04 Mass of water (kg) = 1.000e+00 @@ -53526,7 +53526,7 @@ Using pressure 1. Specific Conductance (µS/cm, 200°C) = 460 Density (g/cm³) = 0.97207 Volume (L) = 1.34427 - Viscosity (mPa s) = 0.15027 + Viscosity (mPa s) = 0.15028 Activity of water = 0.896 Ionic strength (mol/kgw) = 7.489e-04 Mass of water (kg) = 1.000e+00 @@ -53712,7 +53712,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 410 Density (g/cm³) = 0.96454 Volume (L) = 1.35476 - Viscosity (mPa s) = 0.14029 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14030 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.555e-04 Mass of water (kg) = 1.000e+00 @@ -53774,7 +53774,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 394 Density (g/cm³) = 0.96209 Volume (L) = 1.35822 - Viscosity (mPa s) = 0.13725 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13727 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.256e-04 Mass of water (kg) = 1.000e+00 @@ -53836,7 +53836,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 379 Density (g/cm³) = 0.95967 Volume (L) = 1.36163 - Viscosity (mPa s) = 0.13417 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13421 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 5.965e-04 Mass of water (kg) = 1.000e+00 @@ -53898,7 +53898,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 357 Density (g/cm³) = 0.95732 Volume (L) = 1.36498 - Viscosity (mPa s) = 0.13262 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13256 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.683e-04 Mass of water (kg) = 1.000e+00 @@ -53960,7 +53960,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 344 Density (g/cm³) = 0.95504 Volume (L) = 1.36824 - Viscosity (mPa s) = 0.12951 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12950 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.408e-04 Mass of water (kg) = 1.000e+00 @@ -54022,7 +54022,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 329 Density (g/cm³) = 0.95285 Volume (L) = 1.37138 - Viscosity (mPa s) = 0.12697 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12696 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.143e-04 Mass of water (kg) = 1.000e+00 @@ -54084,7 +54084,7 @@ Using pressure 1. Specific Conductance (µS/cm, 245°C) = 314 Density (g/cm³) = 0.95078 Volume (L) = 1.37437 - Viscosity (mPa s) = 0.12459 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12458 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.887e-04 Mass of water (kg) = 1.000e+00 @@ -54146,7 +54146,7 @@ Using pressure 1. Specific Conductance (µS/cm, 250°C) = 300 Density (g/cm³) = 0.94885 Volume (L) = 1.37716 - Viscosity (mPa s) = 0.12232 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12231 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.640e-04 Mass of water (kg) = 1.000e+00 @@ -55670,7 +55670,7 @@ H2Sg(g) 2.85 7.014e+02 0.258 4.327e+00 4.055e+00 -2.715e-01 Specific Conductance (µS/cm, 120°C) = 628 Density (g/cm³) = 0.99187 Volume (L) = 1.17403 - Viscosity (mPa s) = 0.25113 + Viscosity (mPa s) = 0.25114 Activity of water = 0.937 Ionic strength (mol/kgw) = 1.024e-03 Mass of water (kg) = 9.960e-01 @@ -55966,7 +55966,7 @@ H2Sg(g) 2.84 6.876e+02 0.309 3.127e+00 2.777e+00 -3.498e-01 Specific Conductance (µS/cm, 140°C) = 622 Density (g/cm³) = 0.98660 Volume (L) = 1.22467 - Viscosity (mPa s) = 0.21498 + Viscosity (mPa s) = 0.21499 Activity of water = 0.924 Ionic strength (mol/kgw) = 1.018e-03 Mass of water (kg) = 9.962e-01 @@ -56114,7 +56114,7 @@ H2Sg(g) 2.83 6.797e+02 0.336 2.405e+00 2.012e+00 -3.937e-01 Specific Conductance (µS/cm, 150°C) = 606 Density (g/cm³) = 0.98511 Volume (L) = 1.25360 - Viscosity (mPa s) = 0.20059 + Viscosity (mPa s) = 0.20060 Activity of water = 0.916 Ionic strength (mol/kgw) = 1.002e-03 Mass of water (kg) = 9.968e-01 @@ -56188,7 +56188,7 @@ H2Sg(g) 2.83 6.754e+02 0.349 2.012e+00 1.595e+00 -4.171e-01 Specific Conductance (µS/cm, 155°C) = 596 Density (g/cm³) = 0.98473 Volume (L) = 1.26901 - Viscosity (mPa s) = 0.19412 + Viscosity (mPa s) = 0.19413 Activity of water = 0.912 Ionic strength (mol/kgw) = 9.913e-04 Mass of water (kg) = 9.972e-01 @@ -56407,10 +56407,10 @@ H2Sg(g) 2.82 6.617e+02 0.390 6.854e-01 1.906e-01 -4.947e-01 pH = 3.069 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 170°C) = 556 + Specific Conductance (µS/cm, 170°C) = 555 Density (g/cm³) = 0.98533 Volume (L) = 1.31917 - Viscosity (mPa s) = 0.17713 + Viscosity (mPa s) = 0.17714 Activity of water = 0.898 Ionic strength (mol/kgw) = 9.494e-04 Mass of water (kg) = 9.996e-01 @@ -56658,7 +56658,7 @@ Using pressure 1. Specific Conductance (µS/cm, 190°C) = 494 Density (g/cm³) = 0.97665 Volume (L) = 1.33796 - Viscosity (mPa s) = 0.15894 + Viscosity (mPa s) = 0.15895 Activity of water = 0.896 Ionic strength (mol/kgw) = 8.224e-04 Mass of water (kg) = 1.000e+00 @@ -56720,7 +56720,7 @@ Using pressure 1. Specific Conductance (µS/cm, 195°C) = 478 Density (g/cm³) = 0.97416 Volume (L) = 1.34138 - Viscosity (mPa s) = 0.15503 + Viscosity (mPa s) = 0.15504 Activity of water = 0.896 Ionic strength (mol/kgw) = 7.895e-04 Mass of water (kg) = 1.000e+00 @@ -56782,7 +56782,7 @@ Using pressure 1. Specific Conductance (µS/cm, 200°C) = 461 Density (g/cm³) = 0.97167 Volume (L) = 1.34482 - Viscosity (mPa s) = 0.15133 + Viscosity (mPa s) = 0.15134 Activity of water = 0.896 Ionic strength (mol/kgw) = 7.569e-04 Mass of water (kg) = 1.000e+00 @@ -56844,7 +56844,7 @@ Using pressure 1. Specific Conductance (µS/cm, 205°C) = 445 Density (g/cm³) = 0.96918 Volume (L) = 1.34828 - Viscosity (mPa s) = 0.14783 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14784 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 7.248e-04 Mass of water (kg) = 1.000e+00 @@ -56906,7 +56906,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 428 Density (g/cm³) = 0.96670 Volume (L) = 1.35174 - Viscosity (mPa s) = 0.14451 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14452 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.932e-04 Mass of water (kg) = 1.000e+00 @@ -56968,7 +56968,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 411 Density (g/cm³) = 0.96424 Volume (L) = 1.35518 - Viscosity (mPa s) = 0.14135 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14136 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.623e-04 Mass of water (kg) = 1.000e+00 @@ -57030,7 +57030,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 395 Density (g/cm³) = 0.96181 Volume (L) = 1.35861 - Viscosity (mPa s) = 0.13833 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13834 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.321e-04 Mass of water (kg) = 1.000e+00 @@ -57092,7 +57092,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 379 Density (g/cm³) = 0.95942 Volume (L) = 1.36199 - Viscosity (mPa s) = 0.13539 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13541 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.027e-04 Mass of water (kg) = 1.000e+00 @@ -57154,7 +57154,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 369 Density (g/cm³) = 0.95708 Volume (L) = 1.36532 - Viscosity (mPa s) = 0.13148 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13161 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 5.741e-04 Mass of water (kg) = 1.000e+00 @@ -57216,7 +57216,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 344 Density (g/cm³) = 0.95481 Volume (L) = 1.36857 - Viscosity (mPa s) = 0.13068 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13065 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.464e-04 Mass of water (kg) = 1.000e+00 @@ -57278,7 +57278,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 329 Density (g/cm³) = 0.95262 Volume (L) = 1.37172 - Viscosity (mPa s) = 0.12804 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12803 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.195e-04 Mass of water (kg) = 1.000e+00 @@ -57340,7 +57340,7 @@ Using pressure 1. Specific Conductance (µS/cm, 245°C) = 315 Density (g/cm³) = 0.95053 Volume (L) = 1.37473 - Viscosity (mPa s) = 0.12564 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12563 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.936e-04 Mass of water (kg) = 1.000e+00 @@ -58704,7 +58704,7 @@ H2Sg(g) 2.88 7.575e+02 0.221 4.989e+00 4.764e+00 -2.250e-01 Specific Conductance (µS/cm, 105°C) = 612 Density (g/cm³) = 0.99848 Volume (L) = 1.14246 - Viscosity (mPa s) = 0.28838 + Viscosity (mPa s) = 0.28839 Activity of water = 0.945 Ionic strength (mol/kgw) = 1.019e-03 Mass of water (kg) = 9.964e-01 @@ -59074,7 +59074,7 @@ H2Sg(g) 2.87 7.417e+02 0.283 3.680e+00 3.360e+00 -3.203e-01 Specific Conductance (µS/cm, 130°C) = 635 Density (g/cm³) = 0.98987 Volume (L) = 1.20047 - Viscosity (mPa s) = 0.23285 + Viscosity (mPa s) = 0.23286 Activity of water = 0.930 Ionic strength (mol/kgw) = 1.043e-03 Mass of water (kg) = 9.961e-01 @@ -59296,7 +59296,7 @@ H2Sg(g) 2.86 7.301e+02 0.322 2.655e+00 2.268e+00 -3.870e-01 Specific Conductance (µS/cm, 145°C) = 619 Density (g/cm³) = 0.98661 Volume (L) = 1.24275 - Viscosity (mPa s) = 0.20868 + Viscosity (mPa s) = 0.20869 Activity of water = 0.919 Ionic strength (mol/kgw) = 1.029e-03 Mass of water (kg) = 9.967e-01 @@ -59370,7 +59370,7 @@ H2Sg(g) 2.86 7.258e+02 0.335 2.268e+00 1.856e+00 -4.113e-01 Specific Conductance (µS/cm, 150°C) = 610 Density (g/cm³) = 0.98596 Volume (L) = 1.25819 - Viscosity (mPa s) = 0.20173 + Viscosity (mPa s) = 0.20174 Activity of water = 0.915 Ionic strength (mol/kgw) = 1.021e-03 Mass of water (kg) = 9.971e-01 @@ -59444,7 +59444,7 @@ H2Sg(g) 2.86 7.214e+02 0.348 1.856e+00 1.420e+00 -4.367e-01 Specific Conductance (µS/cm, 155°C) = 599 Density (g/cm³) = 0.98556 Volume (L) = 1.27433 - Viscosity (mPa s) = 0.19525 + Viscosity (mPa s) = 0.19526 Activity of water = 0.910 Ionic strength (mol/kgw) = 1.010e-03 Mass of water (kg) = 9.976e-01 @@ -59592,7 +59592,7 @@ H2Sg(g) 2.85 7.120e+02 0.375 9.560e-01 4.643e-01 -4.917e-01 Specific Conductance (µS/cm, 165°C) = 572 Density (g/cm³) = 0.98564 Volume (L) = 1.30878 - Viscosity (mPa s) = 0.18353 + Viscosity (mPa s) = 0.18354 Activity of water = 0.901 Ionic strength (mol/kgw) = 9.838e-04 Mass of water (kg) = 9.991e-01 @@ -59778,7 +59778,7 @@ Using pressure 1. Specific Conductance (µS/cm, 180°C) = 528 Density (g/cm³) = 0.98101 Volume (L) = 1.33202 - Viscosity (mPa s) = 0.16856 + Viscosity (mPa s) = 0.16857 Activity of water = 0.896 Ionic strength (mol/kgw) = 8.990e-04 Mass of water (kg) = 1.000e+00 @@ -59902,7 +59902,7 @@ Using pressure 1. Specific Conductance (µS/cm, 190°C) = 496 Density (g/cm³) = 0.97610 Volume (L) = 1.33871 - Viscosity (mPa s) = 0.16000 + Viscosity (mPa s) = 0.16001 Activity of water = 0.896 Ionic strength (mol/kgw) = 8.315e-04 Mass of water (kg) = 1.000e+00 @@ -59964,7 +59964,7 @@ Using pressure 1. Specific Conductance (µS/cm, 195°C) = 479 Density (g/cm³) = 0.97364 Volume (L) = 1.34210 - Viscosity (mPa s) = 0.15608 + Viscosity (mPa s) = 0.15609 Activity of water = 0.896 Ionic strength (mol/kgw) = 7.982e-04 Mass of water (kg) = 1.000e+00 @@ -60088,7 +60088,7 @@ Using pressure 1. Specific Conductance (µS/cm, 205°C) = 446 Density (g/cm³) = 0.96871 Volume (L) = 1.34893 - Viscosity (mPa s) = 0.14887 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14888 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 7.327e-04 Mass of water (kg) = 1.000e+00 @@ -60212,7 +60212,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 412 Density (g/cm³) = 0.96382 Volume (L) = 1.35578 - Viscosity (mPa s) = 0.14239 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14240 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.694e-04 Mass of water (kg) = 1.000e+00 @@ -60274,7 +60274,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 396 Density (g/cm³) = 0.96140 Volume (L) = 1.35918 - Viscosity (mPa s) = 0.13938 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13939 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.389e-04 Mass of water (kg) = 1.000e+00 @@ -60336,7 +60336,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 379 Density (g/cm³) = 0.95903 Volume (L) = 1.36255 - Viscosity (mPa s) = 0.13648 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13650 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.091e-04 Mass of water (kg) = 1.000e+00 @@ -60398,7 +60398,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 364 Density (g/cm³) = 0.95669 Volume (L) = 1.36587 - Viscosity (mPa s) = 0.13357 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13361 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 5.802e-04 Mass of water (kg) = 1.000e+00 @@ -60460,7 +60460,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 341 Density (g/cm³) = 0.95442 Volume (L) = 1.36913 - Viscosity (mPa s) = 0.13241 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13232 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.521e-04 Mass of water (kg) = 1.000e+00 @@ -60522,7 +60522,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 330 Density (g/cm³) = 0.95221 Volume (L) = 1.37230 - Viscosity (mPa s) = 0.12912 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12910 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.249e-04 Mass of water (kg) = 1.000e+00 @@ -60584,7 +60584,7 @@ Using pressure 1. Specific Conductance (µS/cm, 245°C) = 315 Density (g/cm³) = 0.95010 Volume (L) = 1.37535 - Viscosity (mPa s) = 0.12668 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12667 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.987e-04 Mass of water (kg) = 1.000e+00 @@ -60643,10 +60643,10 @@ Using pressure 1. pH = 3.370 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 250°C) = 300 + Specific Conductance (µS/cm, 250°C) = 301 Density (g/cm³) = 0.94809 Volume (L) = 1.37826 - Viscosity (mPa s) = 0.12439 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12438 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.734e-04 Mass of water (kg) = 1.000e+00 @@ -61800,7 +61800,7 @@ H2Sg(g) 2.93 8.587e+02 0.200 5.332e+00 5.135e+00 -1.969e-01 Specific Conductance (µS/cm, 95°C) = 599 Density (g/cm³) = 1.00521 Volume (L) = 1.12267 - Viscosity (mPa s) = 0.32089 + Viscosity (mPa s) = 0.32090 Activity of water = 0.948 Ionic strength (mol/kgw) = 1.023e-03 Mass of water (kg) = 9.968e-01 @@ -62022,7 +62022,7 @@ H2Sg(g) 2.93 8.500e+02 0.235 4.687e+00 4.434e+00 -2.529e-01 Specific Conductance (µS/cm, 110°C) = 635 Density (g/cm³) = 0.99861 Volume (L) = 1.15361 - Viscosity (mPa s) = 0.27783 + Viscosity (mPa s) = 0.27784 Activity of water = 0.941 Ionic strength (mol/kgw) = 1.062e-03 Mass of water (kg) = 9.964e-01 @@ -62170,7 +62170,7 @@ H2Sg(g) 2.93 8.432e+02 0.259 4.161e+00 3.867e+00 -2.940e-01 Specific Conductance (µS/cm, 120°C) = 646 Density (g/cm³) = 0.99474 Volume (L) = 1.17742 - Viscosity (mPa s) = 0.25479 + Viscosity (mPa s) = 0.25480 Activity of water = 0.935 Ionic strength (mol/kgw) = 1.075e-03 Mass of water (kg) = 9.963e-01 @@ -62244,7 +62244,7 @@ H2Sg(g) 2.92 8.396e+02 0.272 3.867e+00 3.551e+00 -3.158e-01 Specific Conductance (µS/cm, 125°C) = 647 Density (g/cm³) = 0.99299 Volume (L) = 1.19033 - Viscosity (mPa s) = 0.24462 + Viscosity (mPa s) = 0.24463 Activity of water = 0.931 Ionic strength (mol/kgw) = 1.078e-03 Mass of water (kg) = 9.963e-01 @@ -62392,7 +62392,7 @@ H2Sg(g) 2.92 8.317e+02 0.297 3.212e+00 2.850e+00 -3.625e-01 Specific Conductance (µS/cm, 135°C) = 642 Density (g/cm³) = 0.98999 Volume (L) = 1.21830 - Viscosity (mPa s) = 0.22653 + Viscosity (mPa s) = 0.22654 Activity of water = 0.924 Ionic strength (mol/kgw) = 1.076e-03 Mass of water (kg) = 9.965e-01 @@ -62688,7 +62688,7 @@ H2Sg(g) 2.91 8.138e+02 0.350 1.607e+00 1.137e+00 -4.706e-01 Specific Conductance (µS/cm, 155°C) = 605 Density (g/cm³) = 0.98647 Volume (L) = 1.28347 - Viscosity (mPa s) = 0.19749 + Viscosity (mPa s) = 0.19750 Activity of water = 0.907 Ionic strength (mol/kgw) = 1.047e-03 Mass of water (kg) = 9.981e-01 @@ -63208,7 +63208,7 @@ Using pressure 1. Specific Conductance (µS/cm, 195°C) = 483 Density (g/cm³) = 0.97246 Volume (L) = 1.34373 - Viscosity (mPa s) = 0.15817 + Viscosity (mPa s) = 0.15818 Activity of water = 0.895 Ionic strength (mol/kgw) = 8.168e-04 Mass of water (kg) = 1.000e+00 @@ -63270,7 +63270,7 @@ Using pressure 1. Specific Conductance (µS/cm, 200°C) = 466 Density (g/cm³) = 0.97003 Volume (L) = 1.34710 - Viscosity (mPa s) = 0.15445 + Viscosity (mPa s) = 0.15446 Activity of water = 0.895 Ionic strength (mol/kgw) = 7.829e-04 Mass of water (kg) = 1.000e+00 @@ -63394,7 +63394,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 432 Density (g/cm³) = 0.96517 Volume (L) = 1.35387 - Viscosity (mPa s) = 0.14760 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14761 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 7.167e-04 Mass of water (kg) = 1.000e+00 @@ -63456,7 +63456,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 415 Density (g/cm³) = 0.96276 Volume (L) = 1.35727 - Viscosity (mPa s) = 0.14444 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14445 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.846e-04 Mass of water (kg) = 1.000e+00 @@ -63518,7 +63518,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 398 Density (g/cm³) = 0.96036 Volume (L) = 1.36066 - Viscosity (mPa s) = 0.14143 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14144 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.532e-04 Mass of water (kg) = 1.000e+00 @@ -63580,7 +63580,7 @@ Using pressure 1. Specific Conductance (µS/cm, 225°C) = 381 Density (g/cm³) = 0.95798 Volume (L) = 1.36403 - Viscosity (mPa s) = 0.13856 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13857 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 6.227e-04 Mass of water (kg) = 1.000e+00 @@ -63642,7 +63642,7 @@ Using pressure 1. Specific Conductance (µS/cm, 230°C) = 365 Density (g/cm³) = 0.95564 Volume (L) = 1.36738 - Viscosity (mPa s) = 0.13580 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13582 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.930e-04 Mass of water (kg) = 1.000e+00 @@ -63704,7 +63704,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 349 Density (g/cm³) = 0.95334 Volume (L) = 1.37068 - Viscosity (mPa s) = 0.13305 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13308 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.642e-04 Mass of water (kg) = 1.000e+00 @@ -63763,10 +63763,10 @@ Using pressure 1. pH = 3.316 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 240°C) = 322 + Specific Conductance (µS/cm, 240°C) = 323 Density (g/cm³) = 0.95109 Volume (L) = 1.37391 - Viscosity (mPa s) = 0.13298 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13280 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.363e-04 Mass of water (kg) = 1.000e+00 @@ -63828,7 +63828,7 @@ Using pressure 1. Specific Conductance (µS/cm, 245°C) = 315 Density (g/cm³) = 0.94891 Volume (L) = 1.37707 - Viscosity (mPa s) = 0.12880 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12878 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.094e-04 Mass of water (kg) = 1.000e+00 @@ -63890,7 +63890,7 @@ Using pressure 1. Specific Conductance (µS/cm, 250°C) = 301 Density (g/cm³) = 0.94681 Volume (L) = 1.38013 - Viscosity (mPa s) = 0.12643 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12642 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.835e-04 Mass of water (kg) = 1.000e+00 @@ -65044,7 +65044,7 @@ H2Sg(g) 2.98 9.548e+02 0.204 5.298e+00 5.099e+00 -1.997e-01 Specific Conductance (µS/cm, 95°C) = 613 Density (g/cm³) = 1.00768 Volume (L) = 1.12125 - Viscosity (mPa s) = 0.32348 + Viscosity (mPa s) = 0.32349 Activity of water = 0.947 Ionic strength (mol/kgw) = 1.053e-03 Mass of water (kg) = 9.969e-01 @@ -65118,7 +65118,7 @@ H2Sg(g) 2.98 9.519e+02 0.215 5.099e+00 4.880e+00 -2.188e-01 Specific Conductance (µS/cm, 100°C) = 628 Density (g/cm³) = 1.00523 Volume (L) = 1.13126 - Viscosity (mPa s) = 0.30777 + Viscosity (mPa s) = 0.30778 Activity of water = 0.945 Ionic strength (mol/kgw) = 1.069e-03 Mass of water (kg) = 9.968e-01 @@ -65562,7 +65562,7 @@ H2Sg(g) 2.97 9.301e+02 0.289 3.471e+00 3.119e+00 -3.518e-01 Specific Conductance (µS/cm, 130°C) = 658 Density (g/cm³) = 0.99263 Volume (L) = 1.20588 - Viscosity (mPa s) = 0.23758 + Viscosity (mPa s) = 0.23759 Activity of water = 0.926 Ionic strength (mol/kgw) = 1.113e-03 Mass of water (kg) = 9.966e-01 @@ -65858,7 +65858,7 @@ H2Sg(g) 2.96 9.117e+02 0.341 1.902e+00 1.437e+00 -4.647e-01 Specific Conductance (µS/cm, 150°C) = 626 Density (g/cm³) = 0.98741 Volume (L) = 1.27161 - Viscosity (mPa s) = 0.20624 + Viscosity (mPa s) = 0.20625 Activity of water = 0.909 Ionic strength (mol/kgw) = 1.093e-03 Mass of water (kg) = 9.979e-01 @@ -65932,7 +65932,7 @@ H2Sg(g) 2.96 9.066e+02 0.355 1.437e+00 9.403e-01 -4.971e-01 Specific Conductance (µS/cm, 155°C) = 613 Density (g/cm³) = 0.98669 Volume (L) = 1.29035 - Viscosity (mPa s) = 0.19971 + Viscosity (mPa s) = 0.19972 Activity of water = 0.904 Ionic strength (mol/kgw) = 1.082e-03 Mass of water (kg) = 9.985e-01 @@ -66006,7 +66006,7 @@ H2Sg(g) 2.95 9.013e+02 0.368 9.403e-01 4.088e-01 -5.315e-01 Specific Conductance (µS/cm, 160°C) = 598 Density (g/cm³) = 0.98626 Volume (L) = 1.31009 - Viscosity (mPa s) = 0.19361 + Viscosity (mPa s) = 0.19362 Activity of water = 0.899 Ionic strength (mol/kgw) = 1.070e-03 Mass of water (kg) = 9.993e-01 @@ -66316,7 +66316,7 @@ Using pressure 1. Specific Conductance (µS/cm, 185°C) = 521 Density (g/cm³) = 0.97606 Volume (L) = 1.33877 - Viscosity (mPa s) = 0.16837 + Viscosity (mPa s) = 0.16838 Activity of water = 0.895 Ionic strength (mol/kgw) = 9.079e-04 Mass of water (kg) = 1.000e+00 @@ -66626,7 +66626,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 435 Density (g/cm³) = 0.96401 Volume (L) = 1.35550 - Viscosity (mPa s) = 0.14963 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14964 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 7.339e-04 Mass of water (kg) = 1.000e+00 @@ -66688,7 +66688,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 417 Density (g/cm³) = 0.96160 Volume (L) = 1.35891 - Viscosity (mPa s) = 0.14646 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14647 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 7.009e-04 Mass of water (kg) = 1.000e+00 @@ -66871,7 +66871,7 @@ Using pressure 1. pH = 3.263 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 230°C) = 367 + Specific Conductance (µS/cm, 230°C) = 366 Density (g/cm³) = 0.95443 Volume (L) = 1.36911 Viscosity (mPa s) = 0.13784 (solute contributions limited to 200 °C) @@ -66936,7 +66936,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 350 Density (g/cm³) = 0.95208 Volume (L) = 1.37248 - Viscosity (mPa s) = 0.13520 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13521 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.771e-04 Mass of water (kg) = 1.000e+00 @@ -66998,7 +66998,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 335 Density (g/cm³) = 0.94977 Volume (L) = 1.37582 - Viscosity (mPa s) = 0.13259 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13262 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.485e-04 Mass of water (kg) = 1.000e+00 @@ -67057,10 +67057,10 @@ Using pressure 1. pH = 3.329 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 245°C) = 416 + Specific Conductance (µS/cm, 245°C) = 405 Density (g/cm³) = 0.94751 Volume (L) = 1.37911 - Viscosity (mPa s) = 0.11452 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11592 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.208e-04 Mass of water (kg) = 1.000e+00 @@ -67122,7 +67122,7 @@ Using pressure 1. Specific Conductance (µS/cm, 250°C) = 301 Density (g/cm³) = 0.94530 Volume (L) = 1.38234 - Viscosity (mPa s) = 0.12854 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12851 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.942e-04 Mass of water (kg) = 1.000e+00 @@ -68276,7 +68276,7 @@ H2Sg(g) 2.98 9.548e+02 0.204 5.298e+00 5.099e+00 -1.997e-01 Specific Conductance (µS/cm, 95°C) = 613 Density (g/cm³) = 1.00768 Volume (L) = 1.12125 - Viscosity (mPa s) = 0.32348 + Viscosity (mPa s) = 0.32349 Activity of water = 0.947 Ionic strength (mol/kgw) = 1.053e-03 Mass of water (kg) = 9.969e-01 @@ -68350,7 +68350,7 @@ H2Sg(g) 2.98 9.519e+02 0.215 5.099e+00 4.880e+00 -2.188e-01 Specific Conductance (µS/cm, 100°C) = 628 Density (g/cm³) = 1.00523 Volume (L) = 1.13126 - Viscosity (mPa s) = 0.30777 + Viscosity (mPa s) = 0.30778 Activity of water = 0.945 Ionic strength (mol/kgw) = 1.069e-03 Mass of water (kg) = 9.968e-01 @@ -68794,7 +68794,7 @@ H2Sg(g) 2.97 9.301e+02 0.289 3.471e+00 3.119e+00 -3.518e-01 Specific Conductance (µS/cm, 130°C) = 658 Density (g/cm³) = 0.99263 Volume (L) = 1.20588 - Viscosity (mPa s) = 0.23758 + Viscosity (mPa s) = 0.23759 Activity of water = 0.926 Ionic strength (mol/kgw) = 1.113e-03 Mass of water (kg) = 9.966e-01 @@ -69090,7 +69090,7 @@ H2Sg(g) 2.96 9.117e+02 0.341 1.902e+00 1.437e+00 -4.647e-01 Specific Conductance (µS/cm, 150°C) = 626 Density (g/cm³) = 0.98741 Volume (L) = 1.27161 - Viscosity (mPa s) = 0.20624 + Viscosity (mPa s) = 0.20625 Activity of water = 0.909 Ionic strength (mol/kgw) = 1.093e-03 Mass of water (kg) = 9.979e-01 @@ -69164,7 +69164,7 @@ H2Sg(g) 2.96 9.066e+02 0.355 1.437e+00 9.403e-01 -4.971e-01 Specific Conductance (µS/cm, 155°C) = 613 Density (g/cm³) = 0.98669 Volume (L) = 1.29035 - Viscosity (mPa s) = 0.19971 + Viscosity (mPa s) = 0.19972 Activity of water = 0.904 Ionic strength (mol/kgw) = 1.082e-03 Mass of water (kg) = 9.985e-01 @@ -69238,7 +69238,7 @@ H2Sg(g) 2.95 9.013e+02 0.368 9.403e-01 4.088e-01 -5.315e-01 Specific Conductance (µS/cm, 160°C) = 598 Density (g/cm³) = 0.98626 Volume (L) = 1.31009 - Viscosity (mPa s) = 0.19361 + Viscosity (mPa s) = 0.19362 Activity of water = 0.899 Ionic strength (mol/kgw) = 1.070e-03 Mass of water (kg) = 9.993e-01 @@ -69548,7 +69548,7 @@ Using pressure 1. Specific Conductance (µS/cm, 185°C) = 521 Density (g/cm³) = 0.97606 Volume (L) = 1.33877 - Viscosity (mPa s) = 0.16837 + Viscosity (mPa s) = 0.16838 Activity of water = 0.895 Ionic strength (mol/kgw) = 9.079e-04 Mass of water (kg) = 1.000e+00 @@ -69858,7 +69858,7 @@ Using pressure 1. Specific Conductance (µS/cm, 210°C) = 435 Density (g/cm³) = 0.96401 Volume (L) = 1.35550 - Viscosity (mPa s) = 0.14963 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14964 (solute contributions limited to 200 °C) Activity of water = 0.895 Ionic strength (mol/kgw) = 7.339e-04 Mass of water (kg) = 1.000e+00 @@ -69920,7 +69920,7 @@ Using pressure 1. Specific Conductance (µS/cm, 215°C) = 417 Density (g/cm³) = 0.96160 Volume (L) = 1.35891 - Viscosity (mPa s) = 0.14646 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14647 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 7.009e-04 Mass of water (kg) = 1.000e+00 @@ -70103,7 +70103,7 @@ Using pressure 1. pH = 3.263 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 230°C) = 367 + Specific Conductance (µS/cm, 230°C) = 366 Density (g/cm³) = 0.95443 Volume (L) = 1.36911 Viscosity (mPa s) = 0.13784 (solute contributions limited to 200 °C) @@ -70168,7 +70168,7 @@ Using pressure 1. Specific Conductance (µS/cm, 235°C) = 350 Density (g/cm³) = 0.95208 Volume (L) = 1.37248 - Viscosity (mPa s) = 0.13520 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13521 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.771e-04 Mass of water (kg) = 1.000e+00 @@ -70230,7 +70230,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 335 Density (g/cm³) = 0.94977 Volume (L) = 1.37582 - Viscosity (mPa s) = 0.13259 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13262 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.485e-04 Mass of water (kg) = 1.000e+00 @@ -70289,10 +70289,10 @@ Using pressure 1. pH = 3.329 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 245°C) = 416 + Specific Conductance (µS/cm, 245°C) = 405 Density (g/cm³) = 0.94751 Volume (L) = 1.37911 - Viscosity (mPa s) = 0.11452 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11592 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 5.208e-04 Mass of water (kg) = 1.000e+00 @@ -70354,7 +70354,7 @@ Using pressure 1. Specific Conductance (µS/cm, 250°C) = 301 Density (g/cm³) = 0.94530 Volume (L) = 1.38234 - Viscosity (mPa s) = 0.12854 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12851 (solute contributions limited to 200 °C) Activity of water = 0.894 Ionic strength (mol/kgw) = 4.942e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/H2S_pz_appt_101.sel b/mytest/H2S_pz_appt_101.sel index b0a6f1e74..dbb7254bb 100644 --- a/mytest/H2S_pz_appt_101.sel +++ b/mytest/H2S_pz_appt_101.sel @@ -30,22 +30,22 @@ 0.000101952893 58.7436556081 0.000100778374 59.1479473642 0.000099464482 59.4293674635 - 0.000098003335 59.5785314685 - 0.000096386125 59.5872529893 - 0.000094602926 59.4444611711 - 0.000092642446 59.1386266709 - 0.000090491699 58.6568419804 - 0.000088135572 57.9844711417 - 0.000085556232 57.1046734319 - 0.000082732300 55.9977414703 - 0.000079637678 54.6401579331 - 0.000076239813 53.0032103520 - 0.000072497059 51.0508821545 - 0.000068354457 48.7364963470 - 0.000063736630 45.9970690404 - 0.000058534873 42.7431044578 - 0.000052581406 38.8382890581 - 0.000045590375 34.0531622320 + 0.000098003335 59.5784933002 + 0.000096386125 59.5872144445 + 0.000094602926 59.4444223934 + 0.000092642446 59.1385878242 + 0.000090491699 58.6568032509 + 0.000088135572 57.9844327405 + 0.000085556232 57.1046355968 + 0.000082732300 55.9977044686 + 0.000079637678 54.6401220640 + 0.000076239813 53.0031759493 + 0.000072497059 51.0508495896 + 0.000068354457 48.7364660318 + 0.000063736630 45.9970414303 + 0.000058534873 42.7430800552 + 0.000052581406 38.8382684158 + 0.000045590375 34.0531459566 0.000529534540 199.0740491495 0.000529534540 199.0740491495 0.000535681759 214.0741485939 @@ -63,35 +63,35 @@ 0.000535659064 345.5605291903 0.000530039806 350.7709500102 0.000523673394 354.9631997382 - 0.000516590245 358.1197097672 - 0.000508821631 360.2728733523 - 0.000500399508 361.4151904869 - 0.000491356369 361.5599760203 - 0.000481725090 360.7254178634 - 0.000471538784 358.9341843514 - 0.000460830655 356.2130162902 - 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0.001052882934 613.4321714910 - 0.001069243009 628.3673504224 - 0.001082987838 640.5209994151 - 0.001094102009 649.8286654401 - 0.001102590860 656.2664587749 - 0.001108479395 659.8498369653 - 0.001111811048 660.6315657873 - 0.001112646302 658.6989577313 - 0.001111061220 654.1705051078 - 0.001107145890 647.1920364276 - 0.001101002824 637.9325312515 - 0.001092745334 626.5797301944 - 0.001082495911 613.3356734309 - 0.001070384615 598.4122933201 - 0.001050861421 582.9061897196 - 0.001015389474 568.6548049534 - 0.000979629794 553.5780472440 - 0.000943753342 537.8088741243 - 0.000907917408 521.4751076582 - 0.000872265682 504.6987188396 - 0.000836928532 487.5952806669 - 0.000802023299 470.2736013103 - 0.000767654708 452.8354081332 - 0.000733915353 435.3757765298 - 0.000700886226 417.9831539809 - 0.000668637297 400.7405116317 - 0.000637228119 383.7279947015 - 0.000606708462 367.0307284696 - 0.000577118947 350.7694508927 - 0.000548491342 335.3110546386 - 0.000520848970 416.6922916497 - 0.000494210428 301.8100105413 + 0.001052882934 613.4221390695 + 0.001069243009 628.3562257006 + 0.001082987838 640.5087819621 + 0.001094102009 649.8153656684 + 0.001102590860 656.2520969968 + 0.001108479395 659.8344421606 + 0.001111811048 660.6151741221 + 0.001112646302 658.6816108648 + 0.001111061220 654.1522483255 + 0.001107145890 647.1729166285 + 0.001101002824 637.9125948096 + 0.001092745334 626.5590206962 + 0.001082495911 613.3142292723 + 0.001070384615 598.3901451138 + 0.001050861421 582.8834453731 + 0.001015389474 568.6316997317 + 0.000979629794 553.5545632914 + 0.000943753342 537.7849721772 + 0.000907917408 521.4507219061 + 0.000872265682 504.6737494813 + 0.000836928532 487.5695827215 + 0.000802023299 470.2469671335 + 0.000767654708 452.8075590113 + 0.000733915353 435.3462732010 + 0.000700886226 417.9513278226 + 0.000668637297 400.7052847531 + 0.000637228119 383.6874752444 + 0.000606708462 366.9811328971 + 0.000577118947 350.7013434401 + 0.000548491342 335.1869533983 + 0.000520848970 405.7711389955 + 0.000494210428 301.9153441481 0.000649389001 259.7059775699 0.000649389001 259.7059775591 0.000688384495 289.9264097316 @@ -934,35 +934,35 @@ 0.000988593682 553.2193629955 0.001012487546 575.7042745957 0.001033944661 595.8416355227 - 0.001052882934 613.4321714910 - 0.001069243009 628.3673504224 - 0.001082987838 640.5209994151 - 0.001094102009 649.8286654401 - 0.001102590860 656.2664587749 - 0.001108479395 659.8498369653 - 0.001111811048 660.6315657873 - 0.001112646302 658.6989577313 - 0.001111061220 654.1705051078 - 0.001107145890 647.1920364276 - 0.001101002824 637.9325312515 - 0.001092745334 626.5797301944 - 0.001082495911 613.3356734309 - 0.001070384615 598.4122933201 - 0.001050861421 582.9061897196 - 0.001015389474 568.6548049534 - 0.000979629794 553.5780472440 - 0.000943753342 537.8088741243 - 0.000907917408 521.4751076582 - 0.000872265682 504.6987188396 - 0.000836928532 487.5952806669 - 0.000802023299 470.2736013103 - 0.000767654708 452.8354081332 - 0.000733915353 435.3757765298 - 0.000700886226 417.9831539809 - 0.000668637297 400.7405116317 - 0.000637228119 383.7279947015 - 0.000606708462 367.0307284696 - 0.000577118947 350.7694508927 - 0.000548491342 335.3110546386 - 0.000520848970 416.6922916497 - 0.000494210428 301.8100105413 + 0.001052882934 613.4221390695 + 0.001069243009 628.3562257006 + 0.001082987838 640.5087819621 + 0.001094102009 649.8153656684 + 0.001102590860 656.2520969968 + 0.001108479395 659.8344421606 + 0.001111811048 660.6151741221 + 0.001112646302 658.6816108648 + 0.001111061220 654.1522483255 + 0.001107145890 647.1729166285 + 0.001101002824 637.9125948096 + 0.001092745334 626.5590206962 + 0.001082495911 613.3142292723 + 0.001070384615 598.3901451138 + 0.001050861421 582.8834453731 + 0.001015389474 568.6316997317 + 0.000979629794 553.5545632914 + 0.000943753342 537.7849721772 + 0.000907917408 521.4507219061 + 0.000872265682 504.6737494813 + 0.000836928532 487.5695827215 + 0.000802023299 470.2469671335 + 0.000767654708 452.8075590113 + 0.000733915353 435.3462732010 + 0.000700886226 417.9513278226 + 0.000668637297 400.7052847531 + 0.000637228119 383.6874752444 + 0.000606708462 366.9811328971 + 0.000577118947 350.7013434401 + 0.000548491342 335.1869533983 + 0.000520848970 405.7711389955 + 0.000494210428 301.9153441481 diff --git a/mytest/HNaK_Cl_101.sel b/mytest/HNaK_Cl_101.sel index 85630550f..fa2a80c0c 100644 --- a/mytest/HNaK_Cl_101.sel +++ b/mytest/HNaK_Cl_101.sel @@ -1,10 +1,10 @@ Mu SC Viscosity 0.100000000000 39037.8163957789 0.8949866345 - 0.100000127116 12896.6147583315 0.8902305193 - 0.100000127935 10609.0359444543 0.8985395643 + 0.100000127116 12896.6147398138 0.8902305220 + 0.100000127935 10609.0359183574 0.8985395673 0.200000000000 75906.1553204265 0.8995933672 - 0.200000132605 24781.6725881915 0.8897436481 - 0.200000134161 20182.8319703881 0.9062510571 + 0.200000132605 24781.6725356966 0.8897436520 + 0.200000134161 20182.8319001066 0.9062510614 0.200000000000 42131.0191143932 0.9037215647 0.200000000000 53265.1936831904 0.9024177006 0.500000000000 178087.2436705413 0.9131832228 @@ -12,10 +12,10 @@ 0.500000000000 132863.0637012067 0.9031119775 0.500000000000 108878.9338043566 0.8981542282 0.500000000000 83959.7222863246 0.8932649318 - 0.500000136409 58097.3311623760 0.8884515332 - 0.500000137714 53481.8980070673 0.9044315717 - 0.500000138369 51119.5215282276 0.9127229931 - 0.500000139689 46282.9118502483 0.9299541633 + 0.500000136409 58097.3309670118 0.8884515394 + 0.500000137714 53481.8977922729 0.9044315782 + 0.500000138369 51119.5213038597 0.9127229997 + 0.500000139689 46282.9116070467 0.9299541700 0.500000000000 97110.9974136129 0.9232281770 0.500000000000 123444.8465943408 0.9199194480 0.500000000000 94709.6872226384 0.9101013827 @@ -24,12 +24,12 @@ 1.000000000000 248831.7718846419 0.9155394297 1.000000000000 205607.3933585908 0.9060065568 1.000000000000 159030.6590767232 0.8968414383 - 1.000000132166 109123.6045689772 0.8880445815 - 1.000000133141 104449.4592624217 0.9034869683 - 1.000000134121 99633.7012764526 0.9196927923 - 1.000000135105 94674.3758095566 0.9366934192 - 1.000000136093 89570.0530382275 0.9545177440 - 1.000000137086 84318.7575446503 0.9732095132 + 1.000000132166 109123.6040815901 0.8880445898 + 1.000000133141 104449.4587585224 0.9034869767 + 1.000000134121 99633.7007572908 0.9196928008 + 1.000000135105 94674.3752764055 0.9366934279 + 1.000000136093 89570.0524923744 0.9545177527 + 1.000000137086 84318.7569874028 0.9732095220 1.000000000000 127777.9082943134 0.9651463167 1.000000000000 173600.0715945044 0.9574166921 1.000000000000 221763.0419076402 0.9499842125 @@ -45,30 +45,30 @@ 2.000000000000 441439.9307609108 0.9418612493 2.000000000000 371009.7290130634 0.9246308840 2.000000000000 290048.7334082749 0.9089462664 - 2.000000115882 199154.3689622078 0.8947664168 - 2.000000116955 189469.6523334036 0.9251612044 - 2.000000118026 179229.7580865081 0.9584160984 - 2.000000119098 168440.8850878158 0.9946437131 - 2.000000120169 157114.9353111415 1.0339484961 - 2.000000121238 145262.4544013121 1.0764910717 + 2.000000115882 199154.3679093283 0.8947664267 + 2.000000116955 189469.6512737270 0.9251612144 + 2.000000118026 179229.7570267613 0.9584161085 + 2.000000119098 168440.8840343273 0.9946437233 + 2.000000120169 157114.9342697320 1.0339485064 + 2.000000121238 145262.4533773167 1.0764910822 2.000000000000 208849.4494742377 1.0547916213 2.000000000000 280942.7848939538 1.0344949983 2.000000000000 361667.2722384952 1.0155476341 2.000000000000 451098.6622749849 0.9978484045 3.000000000000 700751.6858806259 1.0279462446 - 3.000000098898 275105.1901039741 0.9115507639 - 3.000000102661 189438.0401010527 1.2036758316 + 3.000000098898 275105.1886490661 0.9115507740 + 3.000000102661 189438.0389060979 1.2036758420 4.000000000000 797528.8729247059 1.0764198240 4.000000000000 761982.5154155545 1.0359025345 4.000000000000 695235.5863441853 1.0022196093 4.000000000000 599200.4372351837 0.9748818947 4.000000000000 477950.1012369824 0.9536149210 - 4.000000083741 337897.9019093018 0.9381880849 - 4.000000084072 317785.6013685241 1.0003890238 - 4.000000084370 295713.9392158550 1.0728307234 - 4.000000084634 271884.4741810100 1.1559048757 - 4.000000084863 246515.8021154192 1.2499842593 - 4.000000085057 219798.2343040838 1.3556562500 + 4.000000083741 337897.9002416748 0.9381880946 + 4.000000084072 317785.5997805919 1.0003890335 + 4.000000084370 295713.9377254216 1.0728307331 + 4.000000084634 271884.4727997077 1.1559048854 + 4.000000084863 246515.8008492637 1.2499842690 + 4.000000085057 219798.2331547418 1.3556562597 4.000000000000 283743.7102240762 1.2900642828 4.000000000000 369621.9301041643 1.2294641741 4.000000000000 481329.1717610102 1.1737982840 diff --git a/mytest/H_K.out b/mytest/H_K.out index 0fc9490a7..0bff2d7cc 100644 --- a/mytest/H_K.out +++ b/mytest/H_K.out @@ -1152,7 +1152,7 @@ Using temperature 1. Specific Conductance (µS/cm, 190°C) = 2 Density (g/cm³) = 0.87608 Volume (L) = 1.14145 - Viscosity (mPa s) = 0.14205 + Viscosity (mPa s) = 0.14204 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.109e-06 Mass of water (kg) = 1.000e+00 diff --git a/mytest/H_K_101.sel b/mytest/H_K_101.sel index fb397afce..853d1212b 100644 --- a/mytest/H_K_101.sel +++ b/mytest/H_K_101.sel @@ -3,62 +3,62 @@ 0.000000033957 0.0114230384 0.000000054255 0.0228791110 0.000000082768 0.0416995567 - 0.000000121215 0.0705399372 + 0.000000121215 0.0705399373 0.000000171200 0.1122486005 - 0.000000234097 0.1696433267 - 0.000000310932 0.2452490263 - 0.000000402281 0.3410244072 - 0.000000508194 0.4581077471 - 0.000000628138 0.5966096001 - 0.000000760967 0.7554745205 - 0.000000905083 0.9325826288 - 0.000001058119 1.1244419636 - 0.000001217289 1.3265880619 - 0.000001379394 1.5337113761 - 0.000001540946 1.7399220314 - 0.000001698295 1.9390573784 - 0.000001847780 2.1250106515 - 0.000001985883 2.2920588078 - 0.000002109391 2.4351728194 - 0.000002215543 2.5502531506 - 0.000002302176 2.6344194820 - 0.000002367857 2.6860723368 - 0.000002411994 2.7050371898 - 0.000002434947 2.6925825831 - 0.000002438131 2.6514117225 - 0.000002424164 2.5856405651 - 0.000002397081 2.5008134534 - 0.000002362758 2.4040498096 - 0.000002329781 2.3045121399 - 0.000002311360 2.2146321035 + 0.000000234097 0.1696433265 + 0.000000310932 0.2452490254 + 0.000000402281 0.3410244043 + 0.000000508194 0.4581077401 + 0.000000628138 0.5966095855 + 0.000000760967 0.7554744939 + 0.000000905083 0.9325825854 + 0.000001058119 1.1244418995 + 0.000001217289 1.3265879774 + 0.000001379394 1.5337112814 + 0.000001540946 1.7399219576 + 0.000001698295 1.9390574034 + 0.000001847780 2.1250109785 + 0.000001985883 2.2920601451 + 0.000002109391 2.4351838183 + 0.000002215543 2.5502470551 + 0.000002302176 2.6344161093 + 0.000002367857 2.6860696912 + 0.000002411994 2.7050349003 + 0.000002434947 2.6925805286 + 0.000002438131 2.6514098548 + 0.000002424164 2.5856388615 + 0.000002397081 2.5008119001 + 0.000002362758 2.4040483929 + 0.000002329781 2.3045108421 + 0.000002311360 2.2146308979 0.000000044096 0.0187398395 - 0.000000087072 0.0436300488 - 0.000000152133 0.0870963331 - 0.000000244122 0.1560626201 - 0.000000367502 0.2577655635 - 0.000000526011 0.3991804886 - 0.000000722373 0.5863982463 - 0.000000958054 0.8239935679 - 0.000001233094 1.1144400420 - 0.000001546022 1.4576421281 - 0.000001893837 1.8506568619 - 0.000002272083 2.2876607324 - 0.000002674977 2.7601833823 - 0.000003095614 3.2575881385 - 0.000003526216 3.7677405399 - 0.000003958412 4.2777789573 - 0.000004383549 4.7748906525 - 0.000004793002 5.2470028527 - 0.000005178474 5.6833185892 - 0.000005532277 6.0746564175 - 0.000005847578 6.4135861233 - 0.000006118599 6.6943838889 - 0.000006340776 6.9128537892 - 0.000006510859 7.0660788913 - 0.000006626966 7.1521642261 - 0.000006688588 7.1700263057 - 0.000006696548 7.1192665964 - 0.000006652924 7.0001487455 - 0.000006560945 6.8136859507 - 0.000006424871 6.5618361126 - 0.000006249884 6.2477944988 + 0.000000087072 0.0436300490 + 0.000000152133 0.0870963335 + 0.000000244122 0.1560626209 + 0.000000367502 0.2577655642 + 0.000000526011 0.3991804873 + 0.000000722373 0.5863982390 + 0.000000958054 0.8239935467 + 0.000001233094 1.1144399944 + 0.000001546022 1.4576420366 + 0.000001893837 1.8506567046 + 0.000002272083 2.2876604858 + 0.000002674977 2.7601830257 + 0.000003095614 3.2575876603 + 0.000003526216 3.7677399448 + 0.000003958412 4.2777782748 + 0.000004383549 4.7748899450 + 0.000004793002 5.2470022219 + 0.000005178474 5.6833181825 + 0.000005532277 6.0746564324 + 0.000005847578 6.4135868117 + 0.000006118599 6.6943853710 + 0.000006340776 6.9128563213 + 0.000006510859 7.0660827815 + 0.000006626966 7.1521698597 + 0.000006688588 7.1700341936 + 0.000006696548 7.1192774800 + 0.000006652924 7.0001638367 + 0.000006560945 6.8137075838 + 0.000006424871 6.5618700453 + 0.000006249884 6.2478638960 diff --git a/mytest/Halite_P_101.sel b/mytest/Halite_P_101.sel index ff20bb9ef..b8a5040f9 100644 --- a/mytest/Halite_P_101.sel +++ b/mytest/Halite_P_101.sel @@ -1,17 +1,17 @@ Mu SC - 0.000000121213 0.0706525638 - 6.167720517703 449928.2782555289 - 6.208526212750 454159.5432623085 - 6.242610787710 457802.8787111593 - 6.270852513780 460861.1669239725 - 6.294014380994 463352.0617703794 - 6.312863357527 465307.3404390450 - 6.328169707134 466766.8777021514 - 6.340708277434 467773.0675028984 - 6.351260195250 468365.4395136851 - 6.360614234844 468575.2394206848 - 6.369568148800 468419.6848152804 - 6.378930191858 467895.4493389758 - 6.389520248600 466970.6672641389 - 6.402171349147 465574.4570297036 - 6.417731467914 463582.2222706788 + 0.000000121213 0.0706525639 + 6.167720517703 449928.2759755084 + 6.208526212750 454159.5408998591 + 6.242610787710 457802.8762690967 + 6.270852513780 460861.1644052474 + 6.294014380994 463352.0591779975 + 6.312863357527 465307.3377759587 + 6.328169707134 466766.8749711976 + 6.340708277434 467773.0647067784 + 6.351260195250 468365.4366549928 + 6.360614234844 468575.2365019863 + 6.369568148800 468419.6818392533 + 6.378930191858 467895.4463086203 + 6.389520248600 466970.6641830778 + 6.402171349147 465574.4539026036 + 6.417731467914 463582.2191038407 diff --git a/mytest/Hebach.out b/mytest/Hebach.out index 86b957534..1c4d87d4f 100644 --- a/mytest/Hebach.out +++ b/mytest/Hebach.out @@ -239,10 +239,10 @@ H2O(g) -1.36 4.330e-02 0.948 1.654e-04 1.799e-04 1.443e-05 pH = 3.551 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 117 + Specific Conductance (µS/cm, 30°C) = 113 Density (g/cm³) = 0.99755 Volume (L) = 1.00980 - Viscosity (mPa s) = 0.80415 + Viscosity (mPa s) = 0.81333 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.873e-04 Mass of water (kg) = 1.000e+00 @@ -327,10 +327,10 @@ H2O(g) -1.34 4.591e-02 0.896 1.799e-04 1.974e-04 1.757e-05 pH = 3.404 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 164 + Specific Conductance (µS/cm, 30°C) = 153 Density (g/cm³) = 0.99934 Volume (L) = 1.01519 - Viscosity (mPa s) = 0.80417 + Viscosity (mPa s) = 0.82231 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.055e-04 Mass of water (kg) = 1.000e+00 @@ -415,10 +415,10 @@ H2O(g) -1.31 4.896e-02 0.841 1.974e-04 2.191e-04 2.165e-05 pH = 3.319 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 198 + Specific Conductance (µS/cm, 30°C) = 180 Density (g/cm³) = 1.00109 Volume (L) = 1.02044 - Viscosity (mPa s) = 0.80418 + Viscosity (mPa s) = 0.83106 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.949e-04 Mass of water (kg) = 1.000e+00 @@ -503,10 +503,10 @@ H2O(g) -1.28 5.261e-02 0.785 2.191e-04 2.465e-04 2.737e-05 pH = 3.260 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 225 + Specific Conductance (µS/cm, 30°C) = 198 Density (g/cm³) = 1.00279 Volume (L) = 1.02550 - Viscosity (mPa s) = 0.80419 + Viscosity (mPa s) = 0.83955 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.686e-04 Mass of water (kg) = 1.000e+00 @@ -591,10 +591,10 @@ H2O(g) -1.24 5.706e-02 0.725 2.465e-04 2.822e-04 3.571e-05 pH = 3.216 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 247 + Specific Conductance (µS/cm, 30°C) = 212 Density (g/cm³) = 1.00444 Volume (L) = 1.03033 - Viscosity (mPa s) = 0.80419 + Viscosity (mPa s) = 0.84768 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.315e-04 Mass of water (kg) = 1.000e+00 @@ -679,10 +679,10 @@ H2O(g) -1.20 6.261e-02 0.663 2.822e-04 3.306e-04 4.847e-05 pH = 3.181 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 266 + Specific Conductance (µS/cm, 30°C) = 223 Density (g/cm³) = 1.00602 Volume (L) = 1.03483 - Viscosity (mPa s) = 0.80419 + Viscosity (mPa s) = 0.85533 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.860e-04 Mass of water (kg) = 1.000e+00 @@ -767,10 +767,10 @@ H2O(g) -1.16 6.976e-02 0.597 3.306e-04 3.998e-04 6.917e-05 pH = 3.153 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 282 + Specific Conductance (µS/cm, 30°C) = 231 Density (g/cm³) = 1.00748 Volume (L) = 1.03888 - Viscosity (mPa s) = 0.80419 + Viscosity (mPa s) = 0.86230 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.327e-04 Mass of water (kg) = 1.000e+00 @@ -855,10 +855,10 @@ H2O(g) -1.10 7.922e-02 0.528 3.998e-04 5.047e-04 1.049e-04 pH = 3.132 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 295 + Specific Conductance (µS/cm, 30°C) = 236 Density (g/cm³) = 1.00879 Volume (L) = 1.04229 - Viscosity (mPa s) = 0.80419 + Viscosity (mPa s) = 0.86827 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.712e-04 Mass of water (kg) = 1.000e+00 @@ -943,10 +943,10 @@ H2O(g) -1.04 9.197e-02 0.457 5.047e-04 6.743e-04 1.696e-04 pH = 3.116 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 304 + Specific Conductance (µS/cm, 30°C) = 240 Density (g/cm³) = 1.00983 Volume (L) = 1.04480 - Viscosity (mPa s) = 0.80418 + Viscosity (mPa s) = 0.87278 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.999e-04 Mass of water (kg) = 1.000e+00 @@ -1031,10 +1031,10 @@ H2O(g) -0.96 1.087e-01 0.388 6.743e-04 9.591e-04 2.848e-04 pH = 3.108 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 310 + Specific Conductance (µS/cm, 30°C) = 243 Density (g/cm³) = 1.01048 Volume (L) = 1.04620 - Viscosity (mPa s) = 0.80418 + Viscosity (mPa s) = 0.87539 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.167e-04 Mass of water (kg) = 1.000e+00 @@ -1119,10 +1119,10 @@ H2O(g) -0.89 1.285e-01 0.328 9.591e-04 1.419e-03 4.594e-04 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 312 + Specific Conductance (µS/cm, 30°C) = 243 Density (g/cm³) = 1.01071 Volume (L) = 1.04659 - Viscosity (mPa s) = 0.80418 + Viscosity (mPa s) = 0.87619 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.220e-04 Mass of water (kg) = 1.000e+00 @@ -1207,10 +1207,10 @@ H2O(g) -0.82 1.504e-01 0.280 1.419e-03 2.068e-03 6.494e-04 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 312 + Specific Conductance (µS/cm, 30°C) = 243 Density (g/cm³) = 1.01071 Volume (L) = 1.04657 - Viscosity (mPa s) = 0.80418 + Viscosity (mPa s) = 0.87619 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.220e-04 Mass of water (kg) = 9.999e-01 @@ -1295,10 +1295,10 @@ H2O(g) -0.75 1.759e-01 0.240 2.068e-03 2.899e-03 8.308e-04 pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 312 + Specific Conductance (µS/cm, 30°C) = 243 Density (g/cm³) = 1.01070 Volume (L) = 1.04653 - Viscosity (mPa s) = 0.80418 + Viscosity (mPa s) = 0.87614 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.217e-04 Mass of water (kg) = 9.999e-01 @@ -1383,10 +1383,10 @@ H2O(g) -0.68 2.105e-01 0.201 2.899e-03 3.881e-03 9.828e-04 pH = 3.104 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 313 + Specific Conductance (µS/cm, 30°C) = 244 Density (g/cm³) = 1.01086 Volume (L) = 1.04661 - Viscosity (mPa s) = 0.80418 + Viscosity (mPa s) = 0.87647 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.247e-04 Mass of water (kg) = 9.999e-01 @@ -1471,10 +1471,10 @@ H2O(g) -0.57 2.686e-01 0.158 3.881e-03 4.947e-03 1.065e-03 pH = 3.099 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 316 + Specific Conductance (µS/cm, 30°C) = 246 Density (g/cm³) = 1.01143 Volume (L) = 1.04680 - Viscosity (mPa s) = 0.80417 + Viscosity (mPa s) = 0.87749 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.345e-04 Mass of water (kg) = 9.999e-01 @@ -1559,10 +1559,10 @@ H2O(g) -0.44 3.629e-01 0.119 4.947e-03 6.069e-03 1.122e-03 pH = 3.090 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 322 + Specific Conductance (µS/cm, 30°C) = 249 Density (g/cm³) = 1.01246 Volume (L) = 1.04697 - Viscosity (mPa s) = 0.80416 + Viscosity (mPa s) = 0.87908 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.515e-04 Mass of water (kg) = 9.999e-01 @@ -1647,10 +1647,10 @@ H2O(g) -0.29 5.092e-01 0.086 6.069e-03 7.210e-03 1.141e-03 pH = 3.078 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 332 + Specific Conductance (µS/cm, 30°C) = 255 Density (g/cm³) = 1.01404 Volume (L) = 1.04698 - Viscosity (mPa s) = 0.80417 + Viscosity (mPa s) = 0.88122 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.765e-04 Mass of water (kg) = 9.999e-01 @@ -1735,10 +1735,10 @@ H2O(g) -0.14 7.241e-01 0.063 7.210e-03 8.334e-03 1.124e-03 pH = 3.062 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 345 + Specific Conductance (µS/cm, 30°C) = 263 Density (g/cm³) = 1.01626 Volume (L) = 1.04668 - Viscosity (mPa s) = 0.80422 + Viscosity (mPa s) = 0.88387 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.110e-04 Mass of water (kg) = 9.998e-01 @@ -1823,10 +1823,10 @@ H2O(g) 0.01 1.025e+00 0.046 8.334e-03 9.403e-03 1.069e-03 pH = 3.041 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 363 + Specific Conductance (µS/cm, 30°C) = 274 Density (g/cm³) = 1.01922 Volume (L) = 1.04594 - Viscosity (mPa s) = 0.80435 + Viscosity (mPa s) = 0.88705 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.565e-04 Mass of water (kg) = 9.998e-01 @@ -1911,10 +1911,10 @@ H2O(g) 0.16 1.429e+00 0.035 9.403e-03 1.038e-02 9.775e-04 pH = 3.016 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 386 + Specific Conductance (µS/cm, 30°C) = 288 Density (g/cm³) = 1.02304 Volume (L) = 1.04459 - Viscosity (mPa s) = 0.80468 + Viscosity (mPa s) = 0.89080 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.016e-03 Mass of water (kg) = 9.998e-01 @@ -2109,10 +2109,10 @@ H2O(g) -1.12 7.552e-02 0.944 2.781e-04 3.042e-04 2.610e-05 pH = 3.553 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 131 + Specific Conductance (µS/cm, 40°C) = 128 Density (g/cm³) = 0.99400 Volume (L) = 1.01282 - Viscosity (mPa s) = 0.65782 + Viscosity (mPa s) = 0.66319 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.858e-04 Mass of water (kg) = 1.000e+00 @@ -2198,10 +2198,10 @@ H2O(g) -1.09 8.042e-02 0.889 3.042e-04 3.360e-04 3.183e-05 pH = 3.406 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 183 + Specific Conductance (µS/cm, 40°C) = 175 Density (g/cm³) = 0.99565 Volume (L) = 1.01778 - Viscosity (mPa s) = 0.65793 + Viscosity (mPa s) = 0.66851 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.028e-04 Mass of water (kg) = 1.000e+00 @@ -2287,10 +2287,10 @@ H2O(g) -1.06 8.618e-02 0.832 3.360e-04 3.753e-04 3.929e-05 pH = 3.322 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 221 + Specific Conductance (µS/cm, 40°C) = 207 Density (g/cm³) = 0.99726 Volume (L) = 1.02258 - Viscosity (mPa s) = 0.65804 + Viscosity (mPa s) = 0.67368 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.907e-04 Mass of water (kg) = 1.000e+00 @@ -2376,10 +2376,10 @@ H2O(g) -1.03 9.305e-02 0.772 3.753e-04 4.250e-04 4.968e-05 pH = 3.264 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 251 + Specific Conductance (µS/cm, 40°C) = 230 Density (g/cm³) = 0.99882 Volume (L) = 1.02717 - Viscosity (mPa s) = 0.65815 + Viscosity (mPa s) = 0.67867 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.626e-04 Mass of water (kg) = 1.000e+00 @@ -2465,10 +2465,10 @@ H2O(g) -0.99 1.014e-01 0.711 4.250e-04 4.896e-04 6.464e-05 pH = 3.221 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 276 + Specific Conductance (µS/cm, 40°C) = 248 Density (g/cm³) = 1.00033 Volume (L) = 1.03150 - Viscosity (mPa s) = 0.65827 + Viscosity (mPa s) = 0.68341 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.235e-04 Mass of water (kg) = 1.000e+00 @@ -2554,10 +2554,10 @@ H2O(g) -0.95 1.118e-01 0.648 4.896e-04 5.767e-04 8.703e-05 pH = 3.187 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 297 + Specific Conductance (µS/cm, 40°C) = 262 Density (g/cm³) = 1.00176 Volume (L) = 1.03549 - Viscosity (mPa s) = 0.65838 + Viscosity (mPa s) = 0.68785 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.757e-04 Mass of water (kg) = 1.000e+00 @@ -2643,10 +2643,10 @@ H2O(g) -0.90 1.249e-01 0.582 5.767e-04 6.985e-04 1.219e-04 pH = 3.161 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 314 + Specific Conductance (µS/cm, 40°C) = 272 Density (g/cm³) = 1.00309 Volume (L) = 1.03901 - Viscosity (mPa s) = 0.65850 + Viscosity (mPa s) = 0.69185 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.199e-04 Mass of water (kg) = 1.000e+00 @@ -2732,10 +2732,10 @@ H2O(g) -0.85 1.419e-01 0.515 6.985e-04 8.763e-04 1.778e-04 pH = 3.140 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 328 + Specific Conductance (µS/cm, 40°C) = 280 Density (g/cm³) = 1.00427 Volume (L) = 1.04194 - Viscosity (mPa s) = 0.65862 + Viscosity (mPa s) = 0.69526 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.560e-04 Mass of water (kg) = 1.000e+00 @@ -2821,10 +2821,10 @@ H2O(g) -0.79 1.639e-01 0.448 8.763e-04 1.144e-03 2.679e-04 pH = 3.125 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 338 + Specific Conductance (µS/cm, 40°C) = 286 Density (g/cm³) = 1.00523 Volume (L) = 1.04412 - Viscosity (mPa s) = 0.65874 + Viscosity (mPa s) = 0.69790 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.833e-04 Mass of water (kg) = 1.000e+00 @@ -2910,10 +2910,10 @@ H2O(g) -0.72 1.917e-01 0.384 1.144e-03 1.549e-03 4.047e-04 pH = 3.115 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 345 + Specific Conductance (µS/cm, 40°C) = 290 Density (g/cm³) = 1.00593 Volume (L) = 1.04549 - Viscosity (mPa s) = 0.65883 + Viscosity (mPa s) = 0.69966 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.015e-04 Mass of water (kg) = 1.000e+00 @@ -2999,10 +2999,10 @@ H2O(g) -0.65 2.253e-01 0.328 1.549e-03 2.134e-03 5.854e-04 pH = 3.110 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 349 + Specific Conductance (µS/cm, 40°C) = 292 Density (g/cm³) = 1.00636 Volume (L) = 1.04618 - Viscosity (mPa s) = 0.65890 + Viscosity (mPa s) = 0.70065 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.119e-04 Mass of water (kg) = 9.999e-01 @@ -3088,10 +3088,10 @@ H2O(g) -0.58 2.646e-01 0.280 2.134e-03 2.917e-03 7.822e-04 pH = 3.107 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 351 + Specific Conductance (µS/cm, 40°C) = 294 Density (g/cm³) = 1.00663 Volume (L) = 1.04652 - Viscosity (mPa s) = 0.65894 + Viscosity (mPa s) = 0.70121 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.180e-04 Mass of water (kg) = 9.999e-01 @@ -3177,10 +3177,10 @@ H2O(g) -0.51 3.123e-01 0.238 2.917e-03 3.880e-03 9.632e-04 pH = 3.104 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 353 + Specific Conductance (µS/cm, 40°C) = 295 Density (g/cm³) = 1.00690 Volume (L) = 1.04676 - Viscosity (mPa s) = 0.65900 + Viscosity (mPa s) = 0.70170 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.235e-04 Mass of water (kg) = 9.999e-01 @@ -3266,10 +3266,10 @@ H2O(g) -0.43 3.751e-01 0.199 3.880e-03 4.991e-03 1.111e-03 pH = 3.100 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 356 + Specific Conductance (µS/cm, 40°C) = 297 Density (g/cm³) = 1.00731 Volume (L) = 1.04702 - Viscosity (mPa s) = 0.65908 + Viscosity (mPa s) = 0.70235 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.314e-04 Mass of water (kg) = 9.999e-01 @@ -3355,10 +3355,10 @@ H2O(g) -0.33 4.632e-01 0.162 4.991e-03 6.213e-03 1.222e-03 pH = 3.094 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 361 + Specific Conductance (µS/cm, 40°C) = 300 Density (g/cm³) = 1.00797 Volume (L) = 1.04729 - Viscosity (mPa s) = 0.65923 + Viscosity (mPa s) = 0.70330 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.433e-04 Mass of water (kg) = 9.999e-01 @@ -3444,10 +3444,10 @@ H2O(g) -0.23 5.895e-01 0.129 6.213e-03 7.507e-03 1.294e-03 pH = 3.086 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 368 + Specific Conductance (µS/cm, 40°C) = 305 Density (g/cm³) = 1.00897 Volume (L) = 1.04752 - Viscosity (mPa s) = 0.65948 + Viscosity (mPa s) = 0.70461 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.604e-04 Mass of water (kg) = 9.999e-01 @@ -3533,10 +3533,10 @@ H2O(g) -0.11 7.686e-01 0.101 7.507e-03 8.833e-03 1.327e-03 pH = 3.074 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 378 + Specific Conductance (µS/cm, 40°C) = 311 Density (g/cm³) = 1.01038 Volume (L) = 1.04763 - Viscosity (mPa s) = 0.65985 + Viscosity (mPa s) = 0.70630 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.836e-04 Mass of water (kg) = 9.998e-01 @@ -3622,10 +3622,10 @@ H2O(g) 0.01 1.016e+00 0.078 8.833e-03 1.015e-02 1.321e-03 pH = 3.060 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 390 + Specific Conductance (µS/cm, 40°C) = 319 Density (g/cm³) = 1.01228 Volume (L) = 1.04751 - Viscosity (mPa s) = 0.66038 + Viscosity (mPa s) = 0.70840 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.140e-04 Mass of water (kg) = 9.998e-01 @@ -3711,10 +3711,10 @@ H2O(g) 0.13 1.349e+00 0.061 1.015e-02 1.143e-02 1.277e-03 pH = 3.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 407 + Specific Conductance (µS/cm, 40°C) = 330 Density (g/cm³) = 1.01475 Volume (L) = 1.04708 - Viscosity (mPa s) = 0.66113 + Viscosity (mPa s) = 0.71097 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.529e-04 Mass of water (kg) = 9.998e-01 @@ -3800,10 +3800,10 @@ H2O(g) 0.25 1.783e+00 0.048 1.143e-02 1.263e-02 1.195e-03 pH = 3.021 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 428 + Specific Conductance (µS/cm, 40°C) = 345 Density (g/cm³) = 1.01788 Volume (L) = 1.04621 - Viscosity (mPa s) = 0.66216 + Viscosity (mPa s) = 0.71405 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.002e-03 Mass of water (kg) = 9.998e-01 @@ -3998,10 +3998,10 @@ H2O(g) -0.90 1.272e-01 0.942 4.528e-04 4.968e-04 4.404e-05 pH = 3.565 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 142 + Specific Conductance (µS/cm, 50°C) = 139 Density (g/cm³) = 0.98968 Volume (L) = 1.01670 - Viscosity (mPa s) = 0.54948 + Viscosity (mPa s) = 0.55275 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.779e-04 Mass of water (kg) = 1.000e+00 @@ -4087,10 +4087,10 @@ H2O(g) -0.87 1.358e-01 0.885 4.968e-04 5.503e-04 5.351e-05 pH = 3.419 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 197 + Specific Conductance (µS/cm, 50°C) = 191 Density (g/cm³) = 0.99119 Volume (L) = 1.02124 - Viscosity (mPa s) = 0.54965 + Viscosity (mPa s) = 0.55609 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.912e-04 Mass of water (kg) = 1.000e+00 @@ -4176,10 +4176,10 @@ H2O(g) -0.84 1.458e-01 0.827 5.503e-04 6.160e-04 6.572e-05 pH = 3.336 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 238 + Specific Conductance (µS/cm, 50°C) = 227 Density (g/cm³) = 0.99268 Volume (L) = 1.02562 - Viscosity (mPa s) = 0.54983 + Viscosity (mPa s) = 0.55933 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.758e-04 Mass of water (kg) = 1.000e+00 @@ -4265,10 +4265,10 @@ H2O(g) -0.80 1.577e-01 0.767 6.160e-04 6.985e-04 8.241e-05 pH = 3.278 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 270 + Specific Conductance (µS/cm, 50°C) = 253 Density (g/cm³) = 0.99412 Volume (L) = 1.02979 - Viscosity (mPa s) = 0.55001 + Viscosity (mPa s) = 0.56244 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.448e-04 Mass of water (kg) = 1.000e+00 @@ -4354,10 +4354,10 @@ H2O(g) -0.76 1.721e-01 0.706 6.985e-04 8.043e-04 1.058e-04 pH = 3.235 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 297 + Specific Conductance (µS/cm, 50°C) = 274 Density (g/cm³) = 0.99551 Volume (L) = 1.03369 - Viscosity (mPa s) = 0.55020 + Viscosity (mPa s) = 0.56541 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.030e-04 Mass of water (kg) = 1.000e+00 @@ -4443,10 +4443,10 @@ H2O(g) -0.72 1.896e-01 0.643 8.043e-04 9.438e-04 1.395e-04 pH = 3.202 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 319 + Specific Conductance (µS/cm, 50°C) = 291 Density (g/cm³) = 0.99683 Volume (L) = 1.03725 - Viscosity (mPa s) = 0.55040 + Viscosity (mPa s) = 0.56817 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.526e-04 Mass of water (kg) = 1.000e+00 @@ -4532,10 +4532,10 @@ H2O(g) -0.67 2.114e-01 0.580 9.438e-04 1.133e-03 1.891e-04 pH = 3.176 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 337 + Specific Conductance (µS/cm, 50°C) = 304 Density (g/cm³) = 0.99807 Volume (L) = 1.04040 - Viscosity (mPa s) = 0.55060 + Viscosity (mPa s) = 0.57069 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.946e-04 Mass of water (kg) = 1.000e+00 @@ -4621,10 +4621,10 @@ H2O(g) -0.62 2.388e-01 0.516 1.133e-03 1.396e-03 2.626e-04 pH = 3.155 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 352 + Specific Conductance (µS/cm, 50°C) = 314 Density (g/cm³) = 0.99918 Volume (L) = 1.04304 - Viscosity (mPa s) = 0.55080 + Viscosity (mPa s) = 0.57287 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.293e-04 Mass of water (kg) = 1.000e+00 @@ -4710,10 +4710,10 @@ H2O(g) -0.56 2.731e-01 0.453 1.396e-03 1.765e-03 3.698e-04 pH = 3.140 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 363 + Specific Conductance (µS/cm, 50°C) = 322 Density (g/cm³) = 1.00013 Volume (L) = 1.04508 - Viscosity (mPa s) = 0.55098 + Viscosity (mPa s) = 0.57466 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.567e-04 Mass of water (kg) = 1.000e+00 @@ -4799,10 +4799,10 @@ H2O(g) -0.50 3.156e-01 0.394 1.765e-03 2.282e-03 5.168e-04 pH = 3.129 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 372 + Specific Conductance (µS/cm, 50°C) = 328 Density (g/cm³) = 1.00089 Volume (L) = 1.04652 - Viscosity (mPa s) = 0.55116 + Viscosity (mPa s) = 0.57602 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.772e-04 Mass of water (kg) = 9.999e-01 @@ -4888,10 +4888,10 @@ H2O(g) -0.44 3.669e-01 0.341 2.282e-03 2.980e-03 6.981e-04 pH = 3.121 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 378 + Specific Conductance (µS/cm, 50°C) = 332 Density (g/cm³) = 1.00149 Volume (L) = 1.04746 - Viscosity (mPa s) = 0.55131 + Viscosity (mPa s) = 0.57700 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.918e-04 Mass of water (kg) = 9.999e-01 @@ -4977,10 +4977,10 @@ H2O(g) -0.37 4.281e-01 0.293 2.980e-03 3.874e-03 8.939e-04 pH = 3.115 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 383 + Specific Conductance (µS/cm, 50°C) = 335 Density (g/cm³) = 1.00197 Volume (L) = 1.04808 - Viscosity (mPa s) = 0.55144 + Viscosity (mPa s) = 0.57774 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.029e-04 Mass of water (kg) = 9.999e-01 @@ -5066,10 +5066,10 @@ H2O(g) -0.30 5.019e-01 0.251 3.874e-03 4.955e-03 1.081e-03 pH = 3.110 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 387 + Specific Conductance (µS/cm, 50°C) = 338 Density (g/cm³) = 1.00244 Volume (L) = 1.04853 - Viscosity (mPa s) = 0.55158 + Viscosity (mPa s) = 0.57840 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.127e-04 Mass of water (kg) = 9.999e-01 @@ -5155,10 +5155,10 @@ H2O(g) -0.23 5.942e-01 0.213 4.955e-03 6.196e-03 1.241e-03 pH = 3.104 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 392 + Specific Conductance (µS/cm, 50°C) = 341 Density (g/cm³) = 1.00299 Volume (L) = 1.04892 - Viscosity (mPa s) = 0.55176 + Viscosity (mPa s) = 0.57911 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.235e-04 Mass of water (kg) = 9.999e-01 @@ -5244,10 +5244,10 @@ H2O(g) -0.15 7.137e-01 0.179 6.196e-03 7.564e-03 1.368e-03 pH = 3.098 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 397 + Specific Conductance (µS/cm, 50°C) = 345 Density (g/cm³) = 1.00370 Volume (L) = 1.04927 - Viscosity (mPa s) = 0.55201 + Viscosity (mPa s) = 0.57997 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.367e-04 Mass of water (kg) = 9.998e-01 @@ -5333,10 +5333,10 @@ H2O(g) -0.06 8.717e-01 0.148 7.564e-03 9.023e-03 1.458e-03 pH = 3.089 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 405 + Specific Conductance (µS/cm, 50°C) = 350 Density (g/cm³) = 1.00465 Volume (L) = 1.04958 - Viscosity (mPa s) = 0.55237 + Viscosity (mPa s) = 0.58104 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.534e-04 Mass of water (kg) = 9.998e-01 @@ -5422,10 +5422,10 @@ H2O(g) 0.03 1.081e+00 0.121 9.023e-03 1.053e-02 1.510e-03 pH = 3.079 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 414 + Specific Conductance (µS/cm, 50°C) = 357 Density (g/cm³) = 1.00590 Volume (L) = 1.04978 - Viscosity (mPa s) = 0.55285 + Viscosity (mPa s) = 0.58238 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.745e-04 Mass of water (kg) = 9.998e-01 @@ -5511,10 +5511,10 @@ H2O(g) 0.13 1.357e+00 0.099 1.053e-02 1.205e-02 1.522e-03 pH = 3.066 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 426 + Specific Conductance (µS/cm, 50°C) = 366 Density (g/cm³) = 1.00752 Volume (L) = 1.04983 - Viscosity (mPa s) = 0.55351 + Viscosity (mPa s) = 0.58403 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.008e-04 Mass of water (kg) = 9.998e-01 @@ -5600,10 +5600,10 @@ H2O(g) 0.23 1.712e+00 0.080 1.205e-02 1.355e-02 1.496e-03 pH = 3.051 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 441 + Specific Conductance (µS/cm, 50°C) = 376 Density (g/cm³) = 1.00957 Volume (L) = 1.04965 - Viscosity (mPa s) = 0.55438 + Viscosity (mPa s) = 0.58603 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.334e-04 Mass of water (kg) = 9.997e-01 @@ -5689,10 +5689,10 @@ H2O(g) 0.34 2.164e+00 0.066 1.355e-02 1.498e-02 1.431e-03 pH = 3.034 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 459 + Specific Conductance (µS/cm, 50°C) = 390 Density (g/cm³) = 1.01210 Volume (L) = 1.04918 - Viscosity (mPa s) = 0.55552 + Viscosity (mPa s) = 0.58842 Activity of water = 0.976 Ionic strength (mol/kgw) = 9.732e-04 Mass of water (kg) = 9.997e-01 @@ -5887,10 +5887,10 @@ H2O(g) -0.71 1.971e-01 0.941 6.823e-04 7.485e-04 6.619e-05 pH = 3.585 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 147 + Specific Conductance (µS/cm, 59°C) = 145 Density (g/cm³) = 0.98520 Volume (L) = 1.02081 - Viscosity (mPa s) = 0.47485 + Viscosity (mPa s) = 0.47702 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.655e-04 Mass of water (kg) = 1.000e+00 @@ -5976,10 +5976,10 @@ H2O(g) -0.68 2.104e-01 0.885 7.485e-04 8.282e-04 7.973e-05 pH = 3.439 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 204 + Specific Conductance (µS/cm, 59°C) = 199 Density (g/cm³) = 0.98661 Volume (L) = 1.02498 - Viscosity (mPa s) = 0.47506 + Viscosity (mPa s) = 0.47932 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.735e-04 Mass of water (kg) = 1.000e+00 @@ -6065,10 +6065,10 @@ H2O(g) -0.65 2.258e-01 0.827 8.282e-04 9.251e-04 9.688e-05 pH = 3.356 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 246 + Specific Conductance (µS/cm, 59°C) = 237 Density (g/cm³) = 0.98798 Volume (L) = 1.02899 - Viscosity (mPa s) = 0.47528 + Viscosity (mPa s) = 0.48155 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.541e-04 Mass of water (kg) = 1.000e+00 @@ -6154,10 +6154,10 @@ H2O(g) -0.61 2.439e-01 0.769 9.251e-04 1.045e-03 1.197e-04 pH = 3.298 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 279 + Specific Conductance (µS/cm, 59°C) = 266 Density (g/cm³) = 0.98932 Volume (L) = 1.03280 - Viscosity (mPa s) = 0.47550 + Viscosity (mPa s) = 0.48370 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.197e-04 Mass of water (kg) = 1.000e+00 @@ -6243,10 +6243,10 @@ H2O(g) -0.58 2.654e-01 0.710 1.045e-03 1.196e-03 1.507e-04 pH = 3.256 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 307 + Specific Conductance (µS/cm, 59°C) = 289 Density (g/cm³) = 0.99062 Volume (L) = 1.03636 - Viscosity (mPa s) = 0.47573 + Viscosity (mPa s) = 0.48576 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.750e-04 Mass of water (kg) = 1.000e+00 @@ -6332,10 +6332,10 @@ H2O(g) -0.54 2.912e-01 0.650 1.196e-03 1.389e-03 1.935e-04 pH = 3.222 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 330 + Specific Conductance (µS/cm, 59°C) = 308 Density (g/cm³) = 0.99185 Volume (L) = 1.03962 - Viscosity (mPa s) = 0.47597 + Viscosity (mPa s) = 0.48769 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.223e-04 Mass of water (kg) = 1.000e+00 @@ -6421,10 +6421,10 @@ H2O(g) -0.49 3.226e-01 0.590 1.389e-03 1.642e-03 2.531e-04 pH = 3.196 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 349 + Specific Conductance (µS/cm, 59°C) = 323 Density (g/cm³) = 0.99302 Volume (L) = 1.04252 - Viscosity (mPa s) = 0.47621 + Viscosity (mPa s) = 0.48947 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.625e-04 Mass of water (kg) = 1.000e+00 @@ -6510,10 +6510,10 @@ H2O(g) -0.44 3.610e-01 0.530 1.642e-03 1.978e-03 3.360e-04 pH = 3.175 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 365 + Specific Conductance (µS/cm, 59°C) = 335 Density (g/cm³) = 0.99409 Volume (L) = 1.04499 - Viscosity (mPa s) = 0.47646 + Viscosity (mPa s) = 0.49107 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.965e-04 Mass of water (kg) = 1.000e+00 @@ -6599,10 +6599,10 @@ H2O(g) -0.39 4.080e-01 0.471 1.978e-03 2.427e-03 4.487e-04 pH = 3.158 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 378 + Specific Conductance (µS/cm, 59°C) = 344 Density (g/cm³) = 0.99505 Volume (L) = 1.04700 - Viscosity (mPa s) = 0.47669 + Viscosity (mPa s) = 0.49245 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.243e-04 Mass of water (kg) = 9.999e-01 @@ -6688,10 +6688,10 @@ H2O(g) -0.33 4.651e-01 0.416 2.427e-03 3.022e-03 5.948e-04 pH = 3.146 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 388 + Specific Conductance (µS/cm, 59°C) = 352 Density (g/cm³) = 0.99588 Volume (L) = 1.04855 - Viscosity (mPa s) = 0.47692 + Viscosity (mPa s) = 0.49359 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.467e-04 Mass of water (kg) = 9.999e-01 @@ -6777,10 +6777,10 @@ H2O(g) -0.27 5.336e-01 0.364 3.022e-03 3.792e-03 7.699e-04 pH = 3.136 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 396 + Specific Conductance (µS/cm, 59°C) = 358 Density (g/cm³) = 0.99659 Volume (L) = 1.04968 - Viscosity (mPa s) = 0.47713 + Viscosity (mPa s) = 0.49452 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.643e-04 Mass of water (kg) = 9.999e-01 @@ -6866,10 +6866,10 @@ H2O(g) -0.21 6.149e-01 0.318 3.792e-03 4.752e-03 9.604e-04 pH = 3.128 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 402 + Specific Conductance (µS/cm, 59°C) = 362 Density (g/cm³) = 0.99721 Volume (L) = 1.05050 - Viscosity (mPa s) = 0.47734 + Viscosity (mPa s) = 0.49529 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.787e-04 Mass of water (kg) = 9.999e-01 @@ -6955,10 +6955,10 @@ H2O(g) -0.15 7.117e-01 0.276 4.752e-03 5.900e-03 1.148e-03 pH = 3.121 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 408 + Specific Conductance (µS/cm, 59°C) = 367 Density (g/cm³) = 0.99780 Volume (L) = 1.05113 - Viscosity (mPa s) = 0.47755 + Viscosity (mPa s) = 0.49599 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.914e-04 Mass of water (kg) = 9.999e-01 @@ -7044,10 +7044,10 @@ H2O(g) -0.08 8.286e-01 0.238 5.900e-03 7.219e-03 1.319e-03 pH = 3.115 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 414 + Specific Conductance (µS/cm, 59°C) = 371 Density (g/cm³) = 0.99843 Volume (L) = 1.05164 - Viscosity (mPa s) = 0.47778 + Viscosity (mPa s) = 0.49669 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.040e-04 Mass of water (kg) = 9.999e-01 @@ -7133,10 +7133,10 @@ H2O(g) -0.01 9.726e-01 0.205 7.219e-03 8.680e-03 1.461e-03 pH = 3.107 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 421 + Specific Conductance (µS/cm, 59°C) = 376 Density (g/cm³) = 0.99916 Volume (L) = 1.05208 - Viscosity (mPa s) = 0.47807 + Viscosity (mPa s) = 0.49746 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.178e-04 Mass of water (kg) = 9.998e-01 @@ -7222,10 +7222,10 @@ H2O(g) 0.06 1.153e+00 0.174 8.680e-03 1.025e-02 1.570e-03 pH = 3.099 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 428 + Specific Conductance (µS/cm, 59°C) = 381 Density (g/cm³) = 1.00004 Volume (L) = 1.05246 - Viscosity (mPa s) = 0.47845 + Viscosity (mPa s) = 0.49836 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.336e-04 Mass of water (kg) = 9.998e-01 @@ -7311,10 +7311,10 @@ H2O(g) 0.14 1.380e+00 0.147 1.025e-02 1.189e-02 1.644e-03 pH = 3.090 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 437 + Specific Conductance (µS/cm, 59°C) = 388 Density (g/cm³) = 1.00114 Volume (L) = 1.05276 - Viscosity (mPa s) = 0.47893 + Viscosity (mPa s) = 0.49944 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.525e-04 Mass of water (kg) = 9.998e-01 @@ -7400,10 +7400,10 @@ H2O(g) 0.22 1.666e+00 0.124 1.189e-02 1.358e-02 1.681e-03 pH = 3.079 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 448 + Specific Conductance (µS/cm, 59°C) = 396 Density (g/cm³) = 1.00250 Volume (L) = 1.05295 - Viscosity (mPa s) = 0.47955 + Viscosity (mPa s) = 0.50072 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.750e-04 Mass of water (kg) = 9.997e-01 @@ -7489,10 +7489,10 @@ H2O(g) 0.31 2.025e+00 0.104 1.358e-02 1.526e-02 1.680e-03 pH = 3.066 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 461 + Specific Conductance (µS/cm, 59°C) = 406 Density (g/cm³) = 1.00418 Volume (L) = 1.05299 - Viscosity (mPa s) = 0.48034 + Viscosity (mPa s) = 0.50226 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.018e-04 Mass of water (kg) = 9.997e-01 @@ -7578,10 +7578,10 @@ H2O(g) 0.39 2.469e+00 0.088 1.526e-02 1.690e-02 1.642e-03 pH = 3.052 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 59°C) = 476 + Specific Conductance (µS/cm, 59°C) = 417 Density (g/cm³) = 1.00621 Volume (L) = 1.05282 - Viscosity (mPa s) = 0.48134 + Viscosity (mPa s) = 0.50409 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.337e-04 Mass of water (kg) = 9.997e-01 diff --git a/mytest/Hebach_101.sel b/mytest/Hebach_101.sel index 269553939..eb098fed1 100644 --- a/mytest/Hebach_101.sel +++ b/mytest/Hebach_101.sel @@ -1,86 +1,86 @@ Mu SC - 0.000000119464 0.0692690566 - 0.000001128844 0.4724631987 - 0.000287254070 117.6688929494 - 0.000405533695 164.1604376567 - 0.000494867742 198.1103409334 - 0.000568556642 225.2333498313 - 0.000631539971 247.7291087602 - 0.000686005205 266.6545304759 - 0.000732692392 282.4952973347 - 0.000771177890 295.3153643069 - 0.000799864691 304.7719892208 - 0.000816663270 310.3102663727 - 0.000822001112 312.0888283006 - 0.000821998086 312.0890701338 - 0.000821724816 312.0020158449 - 0.000824667229 313.0597361449 - 0.000834525815 316.6544195063 - 0.000851487745 322.9449040314 - 0.000876544609 332.3816788819 - 0.000910951265 345.5236732603 - 0.000956469963 363.1379499564 - 0.001015668518 386.3237781645 - 0.000001158253 0.5483340723 - 0.000285838653 131.9845214928 - 0.000402836412 183.9418654627 - 0.000490655360 221.7298156652 - 0.000562574496 251.7686486481 - 0.000623518022 276.5253768064 - 0.000675673967 297.1854946622 - 0.000719856083 314.3142079701 - 0.000755956000 328.0814067894 - 0.000783297802 338.4086273111 - 0.000801500237 345.2738012377 - 0.000811913638 349.2274907912 - 0.000817973390 351.5581996143 - 0.000823525096 353.7281681516 - 0.000831378589 356.8465370791 - 0.000843270908 361.6372436794 - 0.000860353963 368.6100816391 - 0.000883592742 378.2097679972 - 0.000914013888 390.9145182596 - 0.000952882256 407.3104051487 - 0.001001875181 428.1675114395 - 0.000001172193 0.6186185688 - 0.000277890384 142.1237898407 - 0.000391154102 197.9613831562 - 0.000475810715 238.4834306755 - 0.000544822844 270.6144447259 - 0.000603027229 297.0237288374 - 0.000652640211 319.0161095109 - 0.000694646542 337.2677167583 - 0.000729342186 352.1084686186 - 0.000756747922 363.7114182205 - 0.000777175646 372.3243154570 - 0.000791828123 378.5133427232 - 0.000802858628 383.2029317757 - 0.000812715882 387.4330462513 - 0.000823475104 392.0982906283 - 0.000836654406 397.8717890322 - 0.000853356445 405.2597065552 - 0.000874471521 414.6838282755 - 0.000900840819 426.5502501198 - 0.000933379484 441.3032698116 - 0.000973182715 459.4733665883 - 0.000001176733 0.6786503552 - 0.000265544901 147.0115863389 - 0.000373547928 204.7697431377 - 0.000454127377 246.6892510389 - 0.000519722482 279.9411074877 - 0.000575022488 307.3056662709 - 0.000622255663 330.1710381682 - 0.000662547827 349.3062553411 - 0.000696462450 365.1627849496 - 0.000724348110 378.0523927452 - 0.000746677398 388.3040243858 - 0.000764342161 396.3964236060 - 0.000778719330 402.9941008221 - 0.000791433074 408.8548155359 - 0.000804023258 414.6941075685 - 0.000817760939 421.1087474326 - 0.000833642637 428.5750905875 - 0.000852471595 437.4849423599 - 0.000874953091 448.1882145781 - 0.000901776650 461.0303880301 - 0.000933685044 476.3846224064 + 0.000000119464 0.0692690567 + 0.000001128844 0.4724624300 + 0.000287254070 113.8797396324 + 0.000405533695 153.9366963358 + 0.000494867742 180.1971257084 + 0.000568556642 198.9692278529 + 0.000631539971 212.8614225765 + 0.000686005205 223.2851830534 + 0.000732692392 231.1036844714 + 0.000771177890 236.8566290592 + 0.000799864691 240.8321459122 + 0.000816663270 243.1177245467 + 0.000822001112 243.8734752807 + 0.000821998086 243.8754290269 + 0.000821724816 243.8444246137 + 0.000824667229 244.4071861723 + 0.000834525815 246.3838745369 + 0.000851487745 249.9672247782 + 0.000876544609 255.4946334516 + 0.000910951265 263.3632764262 + 0.000956469963 274.0957004130 + 0.001015668518 288.4238420751 + 0.000001158253 0.5483332759 + 0.000285838653 128.9421104127 + 0.000402836412 175.7172577824 + 0.000490655360 207.2906712555 + 0.000562574496 230.5671220919 + 0.000623518022 248.3590680986 + 0.000675673967 262.1590841850 + 0.000719856083 272.8531231620 + 0.000755956000 280.9762249917 + 0.000783297802 286.8384947197 + 0.000801500237 290.6769739081 + 0.000811913638 292.9065755508 + 0.000817973390 294.2551432443 + 0.000823525096 295.5524008295 + 0.000831378589 297.4740115251 + 0.000843270908 300.5029540484 + 0.000860353963 305.0065441473 + 0.000883592742 311.3162255927 + 0.000914013888 319.7870643585 + 0.000952882256 330.8474994471 + 0.001001875181 345.0533398657 + 0.000001172193 0.6186177757 + 0.000277890384 139.7341307369 + 0.000391154102 191.4974103428 + 0.000475810715 227.1234593722 + 0.000544822844 253.9187918586 + 0.000603027229 274.8274364276 + 0.000652640211 291.3952287106 + 0.000694646542 304.5363548887 + 0.000729342186 314.8230332850 + 0.000756747922 322.6460945760 + 0.000777175646 328.3665720221 + 0.000791828123 332.4672579655 + 0.000802858628 335.5976641083 + 0.000812715882 338.4583765231 + 0.000823475104 341.6600430739 + 0.000836654406 345.6784230540 + 0.000853356445 350.8854381744 + 0.000874471521 357.6000561049 + 0.000900840819 366.1329531092 + 0.000933379484 376.8238149738 + 0.000973182715 390.0761701229 + 0.000001176733 0.6786495904 + 0.000265544901 145.1216793542 + 0.000373547928 199.6551776827 + 0.000454127377 237.6904932446 + 0.000519722482 266.6970521559 + 0.000575022488 289.6676644638 + 0.000622255663 308.1712910622 + 0.000662547827 323.1457892801 + 0.000696462450 335.2015892575 + 0.000724348110 344.7830078071 + 0.000746677398 352.2894490387 + 0.000764342161 358.1710716015 + 0.000778719330 362.9624110393 + 0.000791433074 367.2349561970 + 0.000804023258 371.5192876274 + 0.000817760939 376.2605299552 + 0.000833642637 381.8196677003 + 0.000852471595 388.4986915496 + 0.000874953091 396.5706181749 + 0.000901776650 406.3063962165 + 0.000933685044 417.9986454426 diff --git a/mytest/Hefter_KClNaOH b/mytest/Hefter_KClNaOH new file mode 100644 index 000000000..b65fc9fe9 --- /dev/null +++ b/mytest/Hefter_KClNaOH @@ -0,0 +1,38 @@ +DATABASE ../database/pitzer.dat +# DATABASE c:\phreeqc\database\pitzer.dat +# Hefter et al., 1973, JML 103-104, p. 261 +#PRINT; -reset false +SELECTED_OUTPUT 101 + -file Hefter_KClNaOH_101.sel +USER_PUNCH 101 + -headings Mu SC Visc + -start +10 PUNCH STR_F$(MU, 20, 12) +20 PUNCH STR_F$(SC, 20, 10) +30 PUNCH STR_F$(VISCOS, 20, 10) + -end +SOLUTION +K 3.001e3; Cl 3.001e3; pH 7 charge +REACTION 1 +NaOH 0.02998 KCl -0.02998 +12.6, 24.8, 37.4, 49.9, 62.5, 75.2, 87.8, 100.1 +USER_GRAPH +-initial_solutions true +-axis_scale x_axis 0 100 +-axis_scale y_axis 0.8 1.8 +-chart_title "KCl + NaOH, 3 Molal total" +-axis_titles "mole % NaOH" " viscosity / (mPa s)" v_OH +10 x1 = (1 - tot("Cl") / 3) * 100 : v = viscos +20 plot_xy x1, v, symbol = None + +30 DATA 0.0, 12.6, 24.8, 37.4, 49.9, 62.5, 75.2, 87.8, 100.1 +40 dim x(10) : restore 30 : for i = 0 to step_no : read x(i) : next i +50 DATA 0.918, 0.988, 1.060, 1.146, 1.243, 1.342, 1.453, 1.585, 1.734 +60 dim y(10) : restore 50 : for i = 0 to step_no : read y(i) : next i +70 plot_xy x(step_no), y(step_no), color = Red, line_width = 0 + +80 dif = 1 - v / y(step_no) : put(abs(dif) + get(1), 1) : put(1 + get(2), 2) +90 if step_no = 8 then print 'AARD = ' + str_f$(get(1) / get(2) * 100, 0, 2) + ' %.' + +300 if step_no > 1 then end +310 if step_no = 0 then plot_xy x(0), y(0), color = Black , symbol = None else plot_xy 100, 1.734 diff --git a/mytest/Hefter_KClNaOH.out b/mytest/Hefter_KClNaOH.out new file mode 100644 index 000000000..21c7e2ad9 --- /dev/null +++ b/mytest/Hefter_KClNaOH.out @@ -0,0 +1,768 @@ +WARNING: Database file from DATABASE keyword is used; command line argument ignored. + Input file: Hefter_KClNaOH + Output file: Hefter_KClNaOH.out +Database file: ../database/pitzer.dat + +------------------ +Reading data base. +------------------ + + SOLUTION_MASTER_SPECIES + SOLUTION_SPECIES + PHASES + PITZER + EXCHANGE_MASTER_SPECIES + EXCHANGE_SPECIES + SURFACE_MASTER_SPECIES + SURFACE_SPECIES + MEAN_GAMMAS + END +------------------------------------ +Reading input data for simulation 1. +------------------------------------ + + DATABASE ../database/pitzer.dat + SELECTED_OUTPUT 101 + file Hefter_KClNaOH_101.sel + USER_PUNCH 101 + headings Mu SC Visc + start + 10 PUNCH STR_F$(MU, 20, 12) + 20 PUNCH STR_F$(SC, 20, 10) + 30 PUNCH STR_F$(VISCOS, 20, 10) + end + SOLUTION + K 3.001e3 + Cl 3.001e3 + pH 7 charge + REACTION 1 + NaOH 0.02998 KCl -0.02998 + 12.6, 24.8, 37.4, 49.9, 62.5, 75.2, 87.8, 100.1 + USER_GRAPH + -initial_solutions true + -axis_scale x_axis 0 100 + -axis_scale y_axis 0.8 1.8 + -chart_title "KCl + NaOH, 3 Molal total" + -axis_titles "mole % NaOH" " viscosity / (mPa s)" v_OH + 10 x1 = (1 - tot("Cl") / 3) * 100 : v = viscos + 20 plot_xy x1, v, symbol = None + 30 DATA 0.0, 12.6, 24.8, 37.4, 49.9, 62.5, 75.2, 87.8, 100.1 + 40 dim x(10) : restore 30 : for i = 0 to step_no : read x(i) : next i + 50 DATA 0.918, 0.988, 1.060, 1.146, 1.243, 1.342, 1.453, 1.585, 1.734 + 60 dim y(10) : restore 50 : for i = 0 to step_no : read y(i) : next i + 70 plot_xy x(step_no), y(step_no), color = Red, line_width = 0 + 80 dif = 1 - v / y(step_no) : put(abs(dif) + get(1), 1) : put(1 + get(2), 2) + 90 if step_no = 8 then print 'AARD = ' + str_f$(get(1) / get(2) * 100, 0, 2) + ' %.' + 300 if step_no > 1 then end + 310 if step_no = 0 then plot_xy x(0), y(0), color = Black , symbol = None else plot_xy 100, 1.734 +------------------------------------------- +Beginning of initial solution calculations. +------------------------------------------- + +Initial solution 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.001e+00 3.001e+00 + K 3.001e+00 3.001e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.907 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 275174 + Density (g/cm³) = 1.11855 + Volume (L) = 1.09403 + Viscosity (mPa s) = 0.91157 + Activity of water = 0.904 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 6.029e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.478e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 6 + Gamma iterations = 4 + Osmotic coefficient = 0.93728 + Density of water = 0.99704 + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 9.888e-08 7.375e-08 -7.005 -7.132 -0.127 0.77 + H+ 9.888e-08 1.240e-07 -7.005 -6.907 0.098 0.00 + H2O 5.551e+01 9.036e-01 1.744 -0.044 0.000 18.07 +Cl 3.001e+00 + Cl- 3.001e+00 1.710e+00 0.477 0.233 -0.244 19.55 +K 3.001e+00 + K+ 3.001e+00 1.710e+00 0.477 0.233 -0.244 10.80 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.04 1.50 H2O + Sylvite -0.44 0.47 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 1.260e+01 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.623e+00 2.623e+00 + K 2.623e+00 2.623e+00 + Na 3.777e-01 3.777e-01 + +----------------------------Description of solution---------------------------- + + pH = 13.499 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 294663 + Density (g/cm³) = 1.11785 + Volume (L) = 1.08304 + Viscosity (mPa s) = 0.98501 + Activity of water = 0.902 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 3.777e-01 + Temperature (°C) = 25.00 + Electrical balance (eq) = -2.699e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 + Gamma iterations = 3 + Osmotic coefficient = 0.95695 + Density of water = 0.99704 + Total H = 1.113902e+02 + Total O = 5.588396e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 3.777e-01 2.878e-01 -0.423 -0.541 -0.118 0.77 + H+ 2.923e-14 3.171e-14 -13.534 -13.499 0.035 0.00 + H2O 5.551e+01 9.017e-01 1.744 -0.045 0.000 18.07 +Cl 2.623e+00 + Cl- 2.623e+00 1.495e+00 0.419 0.175 -0.244 19.55 +K 2.623e+00 + K+ 2.623e+00 1.557e+00 0.419 0.192 -0.226 10.80 +Na 3.777e-01 + Na+ 3.777e-01 2.487e-01 -0.423 -0.604 -0.181 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.04 1.50 H2O + Halite -2.01 -0.43 1.58 NaCl + Sylvite -0.53 0.37 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 2. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 2.480e+01 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.257e+00 2.257e+00 + K 2.257e+00 2.257e+00 + Na 7.435e-01 7.435e-01 + +----------------------------Description of solution---------------------------- + + pH = 13.803 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 313871 + Density (g/cm³) = 1.11716 + Volume (L) = 1.07240 + Viscosity (mPa s) = 1.06080 + Activity of water = 0.900 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 7.435e-01 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.744e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 13 + Gamma iterations = 3 + Osmotic coefficient = 0.97660 + Density of water = 0.99704 + Total H = 1.117559e+02 + Total O = 5.624972e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 7.435e-01 5.780e-01 -0.129 -0.238 -0.109 0.77 + H+ 1.671e-14 1.576e-14 -13.777 -13.803 -0.025 0.00 + H2O 5.551e+01 8.998e-01 1.744 -0.046 0.000 18.07 +Cl 2.257e+00 + Cl- 2.257e+00 1.286e+00 0.354 0.109 -0.244 19.55 +K 2.257e+00 + K+ 2.257e+00 1.401e+00 0.354 0.146 -0.207 10.80 +Na 7.435e-01 + Na+ 7.435e-01 4.887e-01 -0.129 -0.311 -0.182 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.05 1.50 H2O + Halite -1.78 -0.20 1.58 NaCl + Sylvite -0.65 0.26 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 3. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 3.740e+01 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.880e+00 1.880e+00 + K 1.880e+00 1.880e+00 + Na 1.121e+00 1.121e+00 + +----------------------------Description of solution---------------------------- + + pH = 13.991 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 333701 + Density (g/cm³) = 1.11643 + Volume (L) = 1.06141 + Viscosity (mPa s) = 1.14690 + Activity of water = 0.898 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.121e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = -5.821e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 13 + Gamma iterations = 3 + Osmotic coefficient = 0.99737 + Density of water = 0.99704 + Total H = 1.121337e+02 + Total O = 5.662747e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.121e+00 8.896e-01 0.050 -0.051 -0.100 0.77 + H+ 1.251e-14 1.021e-14 -13.903 -13.991 -0.088 0.00 + H2O 5.551e+01 8.978e-01 1.744 -0.047 0.000 18.07 +Cl 1.880e+00 + Cl- 1.880e+00 1.071e+00 0.274 0.030 -0.244 19.55 +K 1.880e+00 + K+ 1.880e+00 1.226e+00 0.274 0.089 -0.186 10.80 +Na 1.121e+00 + Na+ 1.121e+00 7.384e-01 0.050 -0.132 -0.181 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.05 1.50 H2O + Halite -1.68 -0.10 1.58 NaCl + Sylvite -0.78 0.12 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 4. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 4.990e+01 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.505e+00 1.505e+00 + K 1.505e+00 1.505e+00 + Na 1.496e+00 1.496e+00 + +----------------------------Description of solution---------------------------- + + pH = 14.126 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 353355 + Density (g/cm³) = 1.11569 + Volume (L) = 1.05050 + Viscosity (mPa s) = 1.24081 + Activity of water = 0.896 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.496e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.672e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 14 + Gamma iterations = 3 + Osmotic coefficient = 1.01831 + Density of water = 0.99704 + Total H = 1.125084e+02 + Total O = 5.700222e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.496e+00 1.211e+00 0.175 0.083 -0.092 0.77 + H+ 1.057e-14 7.488e-15 -13.976 -14.126 -0.150 0.00 + H2O 5.551e+01 8.957e-01 1.744 -0.048 0.000 18.07 +Cl 1.505e+00 + Cl- 1.505e+00 8.576e-01 0.178 -0.067 -0.244 19.55 +K 1.505e+00 + K+ 1.505e+00 1.037e+00 0.178 0.016 -0.162 10.80 +Na 1.496e+00 + Na+ 1.496e+00 9.909e-01 0.175 -0.004 -0.179 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.05 1.50 H2O + Halite -1.65 -0.07 1.58 NaCl + Sylvite -0.95 -0.05 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 5. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 6.250e+01 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.127e+00 1.127e+00 + K 1.127e+00 1.127e+00 + Na 1.874e+00 1.874e+00 + +----------------------------Description of solution---------------------------- + + pH = 14.233 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 373176 + Density (g/cm³) = 1.11493 + Volume (L) = 1.03951 + Viscosity (mPa s) = 1.34437 + Activity of water = 0.894 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.874e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = 3.188e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 13 + Gamma iterations = 3 + Osmotic coefficient = 1.03957 + Density of water = 0.99704 + Total H = 1.128862e+02 + Total O = 5.737997e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.874e+00 1.546e+00 0.273 0.189 -0.083 0.77 + H+ 9.525e-15 5.849e-15 -14.021 -14.233 -0.212 0.00 + H2O 5.551e+01 8.937e-01 1.744 -0.049 0.000 18.07 +Cl 1.127e+00 + Cl- 1.127e+00 6.424e-01 0.052 -0.192 -0.244 19.55 +K 1.127e+00 + K+ 1.127e+00 8.243e-01 0.052 -0.084 -0.136 10.80 +Na 1.874e+00 + Na+ 1.874e+00 1.253e+00 0.273 0.098 -0.175 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.05 1.50 H2O + Halite -1.68 -0.09 1.58 NaCl + Sylvite -1.18 -0.28 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 6. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 7.520e+01 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 7.465e-01 7.465e-01 + K 7.465e-01 7.465e-01 + Na 2.254e+00 2.254e+00 + +----------------------------Description of solution---------------------------- + + pH = 14.323 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 393193 + Density (g/cm³) = 1.11415 + Volume (L) = 1.02843 + Viscosity (mPa s) = 1.45814 + Activity of water = 0.892 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 2.254e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = 5.488e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 13 + Gamma iterations = 3 + Osmotic coefficient = 1.06100 + Density of water = 0.99704 + Total H = 1.132669e+02 + Total O = 5.776071e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 2.254e+00 1.897e+00 0.353 0.278 -0.075 0.77 + H+ 8.941e-15 4.757e-15 -14.049 -14.323 -0.274 0.00 + H2O 5.551e+01 8.916e-01 1.744 -0.050 0.000 18.07 +Cl 7.465e-01 + Cl- 7.465e-01 4.254e-01 -0.127 -0.371 -0.244 19.55 +K 7.465e-01 + K+ 7.465e-01 5.824e-01 -0.127 -0.235 -0.108 10.80 +Na 2.254e+00 + Na+ 2.254e+00 1.528e+00 0.353 0.184 -0.169 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.05 1.50 H2O + Halite -1.77 -0.19 1.58 NaCl + Sylvite -1.51 -0.61 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 7. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 8.780e+01 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.688e-01 3.688e-01 + K 3.688e-01 3.688e-01 + Na 2.632e+00 2.632e+00 + +----------------------------Description of solution---------------------------- + + pH = 14.399 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 413115 + Density (g/cm³) = 1.11336 + Volume (L) = 1.01744 + Viscosity (mPa s) = 1.58069 + Activity of water = 0.890 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 2.632e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = 8.688e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 13 + Gamma iterations = 3 + Osmotic coefficient = 1.08211 + Density of water = 0.99704 + Total H = 1.136447e+02 + Total O = 5.813846e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 2.632e+00 2.257e+00 0.420 0.353 -0.067 0.77 + H+ 8.640e-15 3.990e-15 -14.063 -14.399 -0.336 0.00 + H2O 5.551e+01 8.896e-01 1.744 -0.051 0.000 18.07 +Cl 3.688e-01 + Cl- 3.688e-01 2.101e-01 -0.433 -0.678 -0.244 19.55 +K 3.688e-01 + K+ 3.688e-01 3.083e-01 -0.433 -0.511 -0.078 10.80 +Na 2.632e+00 + Na+ 2.632e+00 1.816e+00 0.420 0.259 -0.161 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.05 1.50 H2O + Halite -2.00 -0.42 1.58 NaCl + Sylvite -2.09 -1.19 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 8. + +Using solution 1. +Using reaction 1. + +Reaction 1. + + 1.001e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + KCl -0.02998 + NaOH 0.02998 + + Relative + Element moles + Cl -0.02998 + H 0.02998 + K -0.02998 + Na 0.02998 + O 0.02998 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.000e-06 2.000e-06 + K 2.000e-06 2.000e-06 + Na 3.001e+00 3.001e+00 + +----------------------------Description of solution---------------------------- + + pH = 14.465 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 430023 + Density (g/cm³) = 1.11257 + Volume (L) = 1.00671 + Viscosity (mPa s) = 1.73779 + Activity of water = 0.888 + Ionic strength (mol/kgw) = 3.001e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 3.001e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.279e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 13 + Gamma iterations = 3 + Osmotic coefficient = 1.10240 + Density of water = 0.99704 + Total H = 1.140134e+02 + Total O = 5.850721e+01 + +----------------------------Distribution of species---------------------------- + + MacInnes MacInnes + MacInnes Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 3.001e+00 2.619e+00 0.477 0.418 -0.059 0.77 + H+ 8.525e-15 3.430e-15 -14.069 -14.465 -0.395 0.00 + H2O 5.551e+01 8.876e-01 1.744 -0.052 0.000 18.07 +Cl 2.000e-06 + Cl- 2.000e-06 1.140e-06 -5.699 -5.943 -0.244 19.55 +K 2.000e-06 + K+ 2.000e-06 1.797e-06 -5.699 -5.746 -0.047 10.80 +Na 3.001e+00 + Na+ 3.001e+00 2.114e+00 0.477 0.325 -0.152 0.48 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2O(g) -1.55 -0.05 1.50 H2O + Halite -7.20 -5.62 1.58 NaCl + Sylvite -12.59 -11.69 0.90 KCl + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 2. +------------------------------------ + diff --git a/mytest/Hefter_KClNaOH_101.sel b/mytest/Hefter_KClNaOH_101.sel new file mode 100644 index 000000000..059825580 --- /dev/null +++ b/mytest/Hefter_KClNaOH_101.sel @@ -0,0 +1,10 @@ + Mu SC Visc + 3.001000098882 275174.4218992167 0.9115725258 + 3.000999994656 294663.8571185888 0.9850074726 + 3.000999994656 313871.0806015091 1.0608026981 + 3.000999994656 333701.3946988308 1.1469007933 + 3.000999994656 353355.9556827701 1.2408052357 + 3.000999994656 373176.4213852940 1.3443724345 + 3.000999994656 393193.5672158116 1.4581382658 + 3.000999994656 413115.4452558255 1.5806902137 + 3.000999994656 430023.8582301505 1.7377885478 diff --git a/mytest/HighTPwaterGas.out b/mytest/HighTPwaterGas.out index afafb5ec0..724d905e5 100644 --- a/mytest/HighTPwaterGas.out +++ b/mytest/HighTPwaterGas.out @@ -65,9 +65,9 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.994e-18 + Total alkalinity (eq/kg) = -1.032e-17 Temperature (°C) = 65.00 - Electrical balance (eq) = 8.019e-17 + Electrical balance (eq) = 8.020e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -88,7 +88,6 @@ H(0) 1.267e-24 H2 6.334e-25 6.348e-25 -24.198 -24.197 0.001 28.58 Na 1.000e-02 Na+ 1.000e-02 8.959e-03 -2.000 -2.048 -0.048 -0.08 - NaOH 3.146e-19 3.153e-19 -18.502 -18.501 0.001 (0) O(0) 4.970e-33 O2 2.485e-33 2.491e-33 -32.605 -32.604 0.001 32.59 @@ -168,18 +167,18 @@ Reaction 1. pH = 4.025 Charge balance pe = 10.862 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2277 + Specific Conductance (µS/cm, 65°C) = 2276 Density (g/cm³) = 1.00584 Volume (L) = 0.99521 - Viscosity (mPa s) = 0.44936 + Viscosity (mPa s) = 0.44965 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.887e-17 + Total alkalinity (eq/kg) = -1.886e-17 Total CO2 (mol/kg) = 1.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 8.538e-17 + Electrical balance (eq) = 8.711e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -194,7 +193,7 @@ Reaction 1. OH- 2.452e-09 2.195e-09 -8.610 -8.659 -0.048 -5.32 H2O 5.551e+01 9.995e-01 1.744 -0.000 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -102.116 -102.115 0.001 38.40 + CH4 0.000e+00 0.000e+00 -102.115 -102.114 0.001 38.40 C(4) 1.000e-02 CO2 9.886e-03 9.901e-03 -2.005 -2.004 0.001 35.66 HCO3- 1.024e-04 9.220e-05 -3.990 -4.035 -0.045 27.72 @@ -204,14 +203,13 @@ C(4) 1.000e-02 Cl 1.000e-02 Cl- 1.000e-02 8.960e-03 -2.000 -2.048 -0.048 18.27 HCl 3.343e-07 3.376e-07 -6.476 -6.472 0.004 (0) -H(0) 9.076e-34 - H2 4.538e-34 4.548e-34 -33.343 -33.342 0.001 28.34 +H(0) 9.078e-34 + H2 4.539e-34 4.550e-34 -33.343 -33.342 0.001 28.34 Na 1.000e-02 Na+ 9.998e-03 8.986e-03 -2.000 -2.046 -0.046 1.45 NaHCO3 1.860e-06 1.869e-06 -5.730 -5.728 0.002 31.50 - NaOH 1.810e-21 1.815e-21 -20.742 -20.741 0.001 (0) -O(0) 3.141e-15 - O2 1.571e-15 1.574e-15 -14.804 -14.803 0.001 31.28 +O(0) 3.139e-15 + O2 1.570e-15 1.573e-15 -14.804 -14.803 0.001 31.28 ------------------------------Saturation indices------------------------------- @@ -260,19 +258,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.874 Charge balance - pe = 1.874 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2300 + pe = 1.878 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2298 Density (g/cm³) = 1.00593 Volume (L) = 0.99556 - Viscosity (mPa s) = 0.44940 + Viscosity (mPa s) = 0.44989 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.014e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.861e-16 + Total alkalinity (eq/kg) = -1.583e-16 Total CO2 (mol/kg) = 2.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.354e-16 + Electrical balance (eq) = 2.198e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -286,8 +284,8 @@ Reaction 1. H+ 1.471e-04 1.338e-04 -3.832 -3.874 -0.041 0.00 OH- 1.732e-09 1.551e-09 -8.761 -8.810 -0.048 -5.32 H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 17.92 -C(-4) 2.000e-29 - CH4 2.000e-29 2.005e-29 -28.699 -28.698 0.001 38.40 +C(-4) 1.872e-29 + CH4 1.872e-29 1.876e-29 -28.728 -28.727 0.001 38.40 C(4) 2.000e-02 CO2 1.981e-02 1.984e-02 -1.703 -1.702 0.001 35.66 HCO3- 1.449e-04 1.305e-04 -3.839 -3.884 -0.046 27.72 @@ -297,25 +295,24 @@ C(4) 2.000e-02 Cl 1.000e-02 Cl- 1.000e-02 8.958e-03 -2.000 -2.048 -0.048 18.27 HCl 4.731e-07 4.778e-07 -6.325 -6.321 0.004 (0) -H(0) 1.724e-15 - H2 8.620e-16 8.640e-16 -15.064 -15.063 0.001 28.34 +H(0) 1.696e-15 + H2 8.478e-16 8.498e-16 -15.072 -15.071 0.001 28.34 Na 1.000e-02 Na+ 9.997e-03 8.983e-03 -2.000 -2.047 -0.046 1.45 NaHCO3 2.633e-06 2.645e-06 -5.580 -5.578 0.002 31.50 - NaOH 1.278e-21 1.281e-21 -20.893 -20.892 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.361 -51.360 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.347 -51.346 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -25.34 -28.70 -3.36 CH4 + CH4(g) -25.37 -28.73 -3.36 CH4 CO2(g) 0.45 -1.70 -2.15 CO2 - H2(g) -11.66 -15.06 -3.40 H2 + H2(g) -11.67 -15.07 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.09 1.67 NaCl - O2(g) -47.99 -51.36 -3.37 O2 + O2(g) -47.97 -51.35 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -353,11 +350,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.786 Charge balance - pe = 11.066 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2317 + pe = 11.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2314 Density (g/cm³) = 1.00601 Volume (L) = 0.99592 - Viscosity (mPa s) = 0.44944 + Viscosity (mPa s) = 0.45010 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.018e-02 Mass of water (kg) = 1.000e+00 @@ -365,7 +362,7 @@ Reaction 1. Total CO2 (mol/kg) = 3.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -5.293e-15 + Electrical balance (eq) = -5.306e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -380,7 +377,7 @@ Reaction 1. OH- 1.414e-09 1.266e-09 -8.849 -8.898 -0.048 -5.32 H2O 5.551e+01 9.991e-01 1.744 -0.000 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -101.355 -101.354 0.001 38.40 + CH4 0.000e+00 0.000e+00 -101.360 -101.359 0.001 38.40 C(4) 3.000e-02 CO2 2.973e-02 2.977e-02 -1.527 -1.526 0.001 35.66 HCO3- 1.775e-04 1.599e-04 -3.751 -3.796 -0.046 27.72 @@ -390,20 +387,19 @@ C(4) 3.000e-02 Cl 1.000e-02 Cl- 9.999e-03 8.957e-03 -2.000 -2.048 -0.048 18.27 HCl 5.793e-07 5.851e-07 -6.237 -6.233 0.004 (0) -H(0) 1.068e-33 - H2 5.338e-34 5.350e-34 -33.273 -33.272 0.001 28.34 +H(0) 1.064e-33 + H2 5.322e-34 5.335e-34 -33.274 -33.273 0.001 28.34 Na 1.000e-02 Na+ 9.997e-03 8.981e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 3.224e-06 3.239e-06 -5.492 -5.490 0.002 31.50 - NaOH 1.043e-21 1.046e-21 -20.982 -20.981 0.001 (0) -O(0) 2.269e-15 - O2 1.134e-15 1.137e-15 -14.945 -14.944 0.001 31.28 +O(0) 2.282e-15 + O2 1.141e-15 1.144e-15 -14.943 -14.942 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.99 -101.35 -3.36 CH4 + CH4(g) -98.00 -101.36 -3.36 CH4 CO2(g) 0.62 -1.53 -2.15 CO2 H2(g) -29.87 -33.27 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O @@ -446,19 +442,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.723 Charge balance - pe = 1.879 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2331 + pe = 1.880 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2327 Density (g/cm³) = 1.00609 Volume (L) = 0.99628 - Viscosity (mPa s) = 0.44947 + Viscosity (mPa s) = 0.45030 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.020e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.836e-14 + Total alkalinity (eq/kg) = 1.022e-13 Total CO2 (mol/kg) = 4.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -9.555e-14 + Electrical balance (eq) = -9.930e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -472,8 +468,8 @@ Reaction 1. H+ 2.080e-04 1.891e-04 -3.682 -3.723 -0.041 0.00 OH- 1.225e-09 1.096e-09 -8.912 -8.960 -0.048 -5.32 H2O 5.551e+01 9.990e-01 1.744 -0.000 0.000 17.92 -C(-4) 5.809e-28 - CH4 5.809e-28 5.823e-28 -27.236 -27.235 0.001 38.40 +C(-4) 5.767e-28 + CH4 5.767e-28 5.780e-28 -27.239 -27.238 0.001 38.40 C(4) 4.000e-02 CO2 3.963e-02 3.969e-02 -1.402 -1.401 0.001 35.66 HCO3- 2.050e-04 1.845e-04 -3.688 -3.734 -0.046 27.72 @@ -483,20 +479,19 @@ C(4) 4.000e-02 Cl 1.000e-02 Cl- 9.999e-03 8.956e-03 -2.000 -2.048 -0.048 18.27 HCl 6.687e-07 6.754e-07 -6.175 -6.170 0.004 (0) -H(0) 3.365e-15 - H2 1.682e-15 1.686e-15 -14.774 -14.773 0.001 28.34 +H(0) 3.359e-15 + H2 1.679e-15 1.683e-15 -14.775 -14.774 0.001 28.34 Na 1.000e-02 Na+ 9.996e-03 8.980e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 3.721e-06 3.739e-06 -5.429 -5.427 0.002 31.50 - NaOH 9.033e-22 9.055e-22 -21.044 -21.043 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.943 -51.941 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.941 -51.940 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.87 -27.23 -3.36 CH4 + CH4(g) -23.88 -27.24 -3.36 CH4 CO2(g) 0.75 -1.40 -2.15 CO2 H2(g) -11.37 -14.77 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O @@ -539,19 +534,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.675 Charge balance - pe = 11.125 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2343 + pe = 11.127 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2339 Density (g/cm³) = 1.00617 Volume (L) = 0.99663 - Viscosity (mPa s) = 0.44949 + Viscosity (mPa s) = 0.45048 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.023e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.969e-13 + Total alkalinity (eq/kg) = 4.965e-13 Total CO2 (mol/kg) = 5.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -4.832e-13 + Electrical balance (eq) = -4.828e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -566,7 +561,7 @@ Reaction 1. OH- 1.096e-09 9.806e-10 -8.960 -9.009 -0.048 -5.32 H2O 5.551e+01 9.988e-01 1.744 -0.001 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.722 -100.721 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.733 -100.732 0.001 38.40 C(4) 5.000e-02 CO2 4.951e-02 4.959e-02 -1.305 -1.305 0.001 35.66 HCO3- 2.291e-04 2.063e-04 -3.640 -3.686 -0.046 27.72 @@ -576,25 +571,24 @@ C(4) 5.000e-02 Cl 1.000e-02 Cl- 9.999e-03 8.955e-03 -2.000 -2.048 -0.048 18.27 HCl 7.473e-07 7.548e-07 -6.127 -6.122 0.004 (0) -H(0) 1.353e-33 - H2 6.763e-34 6.779e-34 -33.170 -33.169 0.001 28.34 +H(0) 1.344e-33 + H2 6.722e-34 6.738e-34 -33.172 -33.171 0.001 28.34 Na 1.000e-02 Na+ 9.996e-03 8.978e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 4.158e-06 4.178e-06 -5.381 -5.379 0.002 31.50 - NaOH 8.080e-22 8.099e-22 -21.093 -21.092 0.001 (0) -O(0) 1.412e-15 - O2 7.060e-16 7.077e-16 -15.151 -15.150 0.001 31.28 +O(0) 1.429e-15 + O2 7.147e-16 7.163e-16 -15.146 -15.145 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.36 -100.72 -3.36 CH4 + CH4(g) -97.37 -100.73 -3.36 CH4 CO2(g) 0.85 -1.30 -2.15 CO2 H2(g) -29.77 -33.17 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.09 1.67 NaCl - O2(g) -11.78 -15.15 -3.37 O2 + O2(g) -11.77 -15.14 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -633,18 +627,18 @@ Reaction 1. pH = 3.635 Charge balance pe = 1.877 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2354 + Specific Conductance (µS/cm, 65°C) = 2349 Density (g/cm³) = 1.00626 Volume (L) = 0.99699 - Viscosity (mPa s) = 0.44951 + Viscosity (mPa s) = 0.45065 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.025e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.926e-13 + Total alkalinity (eq/kg) = 9.966e-15 Total CO2 (mol/kg) = 6.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -1.872e-13 + Electrical balance (eq) = -9.588e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -658,8 +652,8 @@ Reaction 1. H+ 2.547e-04 2.315e-04 -3.594 -3.635 -0.041 0.00 OH- 1.001e-09 8.953e-10 -9.000 -9.048 -0.048 -5.32 H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 17.92 -C(-4) 4.544e-27 - CH4 4.544e-27 4.555e-27 -26.343 -26.342 0.001 38.40 +C(-4) 4.530e-27 + CH4 4.530e-27 4.541e-27 -26.344 -26.343 0.001 38.40 C(4) 6.000e-02 CO2 5.937e-02 5.947e-02 -1.226 -1.226 0.001 35.66 HCO3- 2.509e-04 2.259e-04 -3.600 -3.646 -0.046 27.72 @@ -669,14 +663,13 @@ C(4) 6.000e-02 Cl 1.000e-02 Cl- 9.999e-03 8.954e-03 -2.000 -2.048 -0.048 18.27 HCl 8.182e-07 8.264e-07 -6.087 -6.083 0.004 (0) -H(0) 5.085e-15 - H2 2.543e-15 2.549e-15 -14.595 -14.594 0.001 28.34 +H(0) 5.081e-15 + H2 2.541e-15 2.547e-15 -14.595 -14.594 0.001 28.34 Na 1.000e-02 Na+ 9.995e-03 8.977e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 4.553e-06 4.574e-06 -5.342 -5.340 0.002 31.50 - NaOH 7.376e-22 7.394e-22 -21.132 -21.131 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.302 -52.301 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.301 -52.300 0.001 31.28 ------------------------------Saturation indices------------------------------- @@ -725,19 +718,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.602 Charge balance - pe = 11.093 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2364 + pe = 11.099 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2358 Density (g/cm³) = 1.00634 Volume (L) = 0.99734 - Viscosity (mPa s) = 0.44953 + Viscosity (mPa s) = 0.45083 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.027e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.498e-16 + Total alkalinity (eq/kg) = -1.882e-16 Total CO2 (mol/kg) = 7.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.123e-16 + Electrical balance (eq) = 2.609e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -752,7 +745,7 @@ Reaction 1. OH- 9.268e-10 8.291e-10 -9.033 -9.081 -0.048 -5.32 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.734 -99.733 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.785 -99.784 0.001 38.40 C(4) 7.000e-02 CO2 6.922e-02 6.933e-02 -1.160 -1.159 0.001 35.66 HCO3- 2.709e-04 2.438e-04 -3.567 -3.613 -0.046 27.72 @@ -762,25 +755,24 @@ C(4) 7.000e-02 Cl 1.000e-02 Cl- 9.999e-03 8.953e-03 -2.000 -2.048 -0.048 18.27 HCl 8.832e-07 8.922e-07 -6.054 -6.050 0.004 (0) -H(0) 2.196e-33 - H2 1.098e-33 1.101e-33 -32.959 -32.958 0.001 28.34 +H(0) 2.133e-33 + H2 1.066e-33 1.069e-33 -32.972 -32.971 0.001 28.34 Na 1.000e-02 Na+ 9.995e-03 8.976e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 4.915e-06 4.938e-06 -5.309 -5.306 0.002 31.50 - NaOH 6.830e-22 6.846e-22 -21.166 -21.165 0.001 (0) -O(0) 5.354e-16 - O2 2.677e-16 2.683e-16 -15.572 -15.571 0.001 31.28 +O(0) 5.677e-16 + O2 2.839e-16 2.845e-16 -15.547 -15.546 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.37 -99.73 -3.36 CH4 + CH4(g) -96.42 -99.78 -3.36 CH4 CO2(g) 0.99 -1.16 -2.15 CO2 - H2(g) -29.55 -32.96 -3.40 H2 + H2(g) -29.57 -32.97 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.09 1.67 NaCl - O2(g) -12.20 -15.57 -3.37 O2 + O2(g) -12.17 -15.55 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -818,19 +810,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.573 Charge balance - pe = 1.877 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2372 + pe = 1.876 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2366 Density (g/cm³) = 1.00642 Volume (L) = 0.99770 - Viscosity (mPa s) = 0.44955 + Viscosity (mPa s) = 0.45099 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.029e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.803e-16 + Total alkalinity (eq/kg) = -4.081e-16 Total CO2 (mol/kg) = 8.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.346e-16 + Electrical balance (eq) = 4.687e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -844,8 +836,8 @@ Reaction 1. H+ 2.938e-04 2.671e-04 -3.532 -3.573 -0.041 0.00 OH- 8.673e-10 7.758e-10 -9.062 -9.110 -0.048 -5.32 H2O 5.551e+01 9.983e-01 1.744 -0.001 0.000 17.92 -C(-4) 1.909e-26 - CH4 1.909e-26 1.913e-26 -25.719 -25.718 0.001 38.40 +C(-4) 1.939e-26 + CH4 1.939e-26 1.944e-26 -25.712 -25.711 0.001 38.40 C(4) 8.000e-02 CO2 7.905e-02 7.917e-02 -1.102 -1.101 0.001 35.66 (CO2)2 3.287e-04 3.294e-04 -3.483 -3.482 0.001 71.33 @@ -855,22 +847,21 @@ C(4) 8.000e-02 Cl 1.000e-02 Cl- 9.999e-03 8.952e-03 -2.000 -2.048 -0.048 18.27 HCl 9.437e-07 9.532e-07 -6.025 -6.021 0.004 (0) -H(0) 6.776e-15 - H2 3.388e-15 3.396e-15 -14.470 -14.469 0.001 28.34 +H(0) 6.803e-15 + H2 3.401e-15 3.409e-15 -14.468 -14.467 0.001 28.34 Na 1.000e-02 Na+ 9.995e-03 8.975e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 5.251e-06 5.276e-06 -5.280 -5.278 0.002 31.50 - NaOH 6.390e-22 6.405e-22 -21.194 -21.193 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.551 -52.550 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.555 -52.554 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.36 -25.72 -3.36 CH4 + CH4(g) -22.35 -25.71 -3.36 CH4 CO2(g) 1.05 -1.10 -2.15 CO2 - H2(g) -11.07 -14.47 -3.40 H2 + H2(g) -11.06 -14.47 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl O2(g) -49.18 -52.55 -3.37 O2 @@ -911,21 +902,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.548 Charge balance - pe = 2.485 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2381 + pe = 2.436 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2374 Density (g/cm³) = 1.00650 Volume (L) = 0.99806 - Viscosity (mPa s) = 0.44957 + Viscosity (mPa s) = 0.45116 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.031e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.914e-14 + Total alkalinity (eq/kg) = -2.039e-16 Total CO2 (mol/kg) = 9.000e-02 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -3.793e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 2.775e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.568622e+01 @@ -937,8 +928,8 @@ Reaction 1. H+ 3.115e-04 2.831e-04 -3.507 -3.548 -0.042 0.00 OH- 8.180e-10 7.317e-10 -9.087 -9.136 -0.048 -5.32 H2O 5.551e+01 9.981e-01 1.744 -0.001 0.000 17.92 -C(-4) 4.682e-31 - CH4 4.682e-31 4.693e-31 -30.330 -30.329 0.001 38.40 +C(-4) 1.148e-30 + CH4 1.148e-30 1.151e-30 -29.940 -29.939 0.001 38.40 C(4) 9.000e-02 CO2 8.886e-02 8.900e-02 -1.051 -1.051 0.001 35.66 (CO2)2 4.153e-04 4.163e-04 -3.382 -3.381 0.001 71.33 @@ -948,25 +939,24 @@ C(4) 9.000e-02 Cl 1.000e-02 Cl- 9.999e-03 8.951e-03 -2.000 -2.048 -0.048 18.27 HCl 1.000e-06 1.010e-06 -6.000 -5.995 0.004 (0) -H(0) 4.631e-16 - H2 2.315e-16 2.321e-16 -15.635 -15.634 0.001 28.34 +H(0) 5.795e-16 + H2 2.897e-16 2.904e-16 -15.538 -15.537 0.001 28.34 Na 1.000e-02 Na+ 9.994e-03 8.974e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 5.566e-06 5.592e-06 -5.254 -5.252 0.002 31.50 - NaOH 6.026e-22 6.040e-22 -21.220 -21.219 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.221 -50.220 0.001 31.28 + O2 0.000e+00 0.000e+00 -50.415 -50.414 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -26.97 -30.33 -3.36 CH4 + CH4(g) -26.58 -29.94 -3.36 CH4 CO2(g) 1.10 -1.05 -2.15 CO2 - H2(g) -12.23 -15.63 -3.40 H2 + H2(g) -12.13 -15.54 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -46.85 -50.22 -3.37 O2 + O2(g) -47.04 -50.41 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1004,19 +994,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.525 Charge balance - pe = 11.351 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2388 + pe = 11.350 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2381 Density (g/cm³) = 1.00658 Volume (L) = 0.99841 - Viscosity (mPa s) = 0.44959 + Viscosity (mPa s) = 0.45132 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.032e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.208e-15 + Total alkalinity (eq/kg) = -1.217e-15 Total CO2 (mol/kg) = 1.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.249e-15 + Electrical balance (eq) = 1.256e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1031,7 +1021,7 @@ Reaction 1. OH- 7.764e-10 6.943e-10 -9.110 -9.158 -0.048 -5.32 H2O 5.551e+01 9.980e-01 1.744 -0.001 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -101.034 -101.033 0.001 38.40 + CH4 0.000e+00 0.000e+00 -101.026 -101.025 0.001 38.40 C(4) 1.000e-01 CO2 9.865e-02 9.880e-02 -1.006 -1.005 0.001 35.66 (CO2)2 5.118e-04 5.131e-04 -3.291 -3.290 0.001 71.33 @@ -1041,25 +1031,24 @@ C(4) 1.000e-01 Cl 1.000e-02 Cl- 9.999e-03 8.950e-03 -2.000 -2.048 -0.048 18.27 HCl 1.054e-06 1.065e-06 -5.977 -5.973 0.004 (0) -H(0) 9.507e-34 - H2 4.754e-34 4.765e-34 -33.323 -33.322 0.001 28.34 +H(0) 9.553e-34 + H2 4.776e-34 4.788e-34 -33.321 -33.320 0.001 28.34 Na 1.000e-02 Na+ 9.994e-03 8.973e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 5.863e-06 5.891e-06 -5.232 -5.230 0.002 31.50 - NaOH 5.718e-22 5.731e-22 -21.243 -21.242 0.001 (0) -O(0) 2.853e-15 - O2 1.427e-15 1.430e-15 -14.846 -14.845 0.001 31.28 +O(0) 2.826e-15 + O2 1.413e-15 1.417e-15 -14.850 -14.849 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.67 -101.03 -3.36 CH4 + CH4(g) -97.66 -101.03 -3.36 CH4 CO2(g) 1.15 -1.01 -2.15 CO2 H2(g) -29.92 -33.32 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.47 -14.84 -3.37 O2 + O2(g) -11.48 -14.85 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1098,20 +1087,20 @@ Reaction 1. pH = 3.505 Charge balance pe = 2.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2396 + Specific Conductance (µS/cm, 65°C) = 2387 Density (g/cm³) = 1.00667 Volume (L) = 0.99877 - Viscosity (mPa s) = 0.44960 + Viscosity (mPa s) = 0.45148 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.034e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.226e-15 + Total alkalinity (eq/kg) = -2.359e-15 Total CO2 (mol/kg) = 1.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.262e-15 + Electrical balance (eq) = 2.351e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.572622e+01 @@ -1123,8 +1112,8 @@ Reaction 1. H+ 3.441e-04 3.127e-04 -3.463 -3.505 -0.042 0.00 OH- 7.405e-10 6.623e-10 -9.130 -9.179 -0.049 -5.32 H2O 5.551e+01 9.978e-01 1.744 -0.001 0.000 17.92 -C(-4) 3.073e-28 - CH4 3.073e-28 3.080e-28 -27.512 -27.511 0.001 38.40 +C(-4) 3.086e-28 + CH4 3.086e-28 3.093e-28 -27.511 -27.510 0.001 38.40 C(4) 1.100e-01 CO2 1.084e-01 1.086e-01 -0.965 -0.964 0.001 35.66 (CO2)2 6.183e-04 6.197e-04 -3.209 -3.208 0.001 71.33 @@ -1134,14 +1123,13 @@ C(4) 1.100e-01 Cl 1.000e-02 Cl- 9.999e-03 8.950e-03 -2.000 -2.048 -0.048 18.27 HCl 1.105e-06 1.116e-06 -5.957 -5.952 0.004 (0) -H(0) 2.230e-15 - H2 1.115e-15 1.118e-15 -14.953 -14.952 0.001 28.34 +H(0) 2.232e-15 + H2 1.116e-15 1.119e-15 -14.952 -14.951 0.001 28.34 Na 1.000e-02 Na+ 9.994e-03 8.972e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 6.146e-06 6.175e-06 -5.211 -5.209 0.002 31.50 - NaOH 5.453e-22 5.466e-22 -21.263 -21.262 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.586 -51.585 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.587 -51.586 0.001 31.28 ------------------------------Saturation indices------------------------------- @@ -1190,11 +1178,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.486 Charge balance - pe = 11.350 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2402 + pe = 11.352 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2393 Density (g/cm³) = 1.00675 Volume (L) = 0.99912 - Viscosity (mPa s) = 0.44962 + Viscosity (mPa s) = 0.45163 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.035e-02 Mass of water (kg) = 1.000e+00 @@ -1217,7 +1205,7 @@ Reaction 1. OH- 7.093e-10 6.343e-10 -9.149 -9.198 -0.049 -5.32 H2O 5.551e+01 9.976e-01 1.744 -0.001 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.632 -100.631 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.646 -100.645 0.001 38.40 C(4) 1.200e-01 CO2 1.182e-01 1.184e-01 -0.927 -0.927 0.001 35.66 (CO2)2 7.345e-04 7.363e-04 -3.134 -3.133 0.001 71.33 @@ -1227,25 +1215,24 @@ C(4) 1.200e-01 Cl 1.000e-02 Cl- 9.999e-03 8.949e-03 -2.000 -2.048 -0.048 18.27 HCl 1.153e-06 1.165e-06 -5.938 -5.934 0.004 (0) -H(0) 1.146e-33 - H2 5.728e-34 5.742e-34 -33.242 -33.241 0.001 28.34 +H(0) 1.136e-33 + H2 5.681e-34 5.695e-34 -33.246 -33.245 0.001 28.34 Na 1.000e-02 Na+ 9.994e-03 8.971e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 6.415e-06 6.446e-06 -5.193 -5.191 0.002 31.50 - NaOH 5.222e-22 5.235e-22 -21.282 -21.281 0.001 (0) -O(0) 1.964e-15 - O2 9.818e-16 9.842e-16 -15.008 -15.007 0.001 31.28 +O(0) 1.996e-15 + O2 9.982e-16 1.001e-15 -15.001 -15.000 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.27 -100.63 -3.36 CH4 + CH4(g) -97.28 -100.64 -3.36 CH4 CO2(g) 1.22 -0.93 -2.15 CO2 H2(g) -29.84 -33.24 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.64 -15.01 -3.37 O2 + O2(g) -11.63 -15.00 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1283,19 +1270,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.469 Charge balance - pe = 2.095 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2409 + pe = 1.939 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2399 Density (g/cm³) = 1.00683 Volume (L) = 0.99948 - Viscosity (mPa s) = 0.44963 + Viscosity (mPa s) = 0.45179 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.037e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.796e-15 + Total alkalinity (eq/kg) = -1.711e-14 Total CO2 (mol/kg) = 1.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 7.648e-15 + Electrical balance (eq) = 1.674e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1309,8 +1296,8 @@ Reaction 1. H+ 3.737e-04 3.396e-04 -3.427 -3.469 -0.042 0.00 OH- 6.818e-10 6.096e-10 -9.166 -9.215 -0.049 -5.32 H2O 5.551e+01 9.975e-01 1.744 -0.001 0.000 17.92 -C(-4) 3.791e-27 - CH4 3.791e-27 3.800e-27 -26.421 -26.420 0.001 38.40 +C(-4) 6.737e-26 + CH4 6.737e-26 6.753e-26 -25.172 -25.170 0.001 38.40 C(4) 1.300e-01 CO2 1.279e-01 1.281e-01 -0.893 -0.892 0.001 35.66 (CO2)2 8.605e-04 8.625e-04 -3.065 -3.064 0.001 71.33 @@ -1320,25 +1307,24 @@ C(4) 1.300e-01 Cl 1.000e-02 Cl- 9.999e-03 8.948e-03 -2.000 -2.048 -0.048 18.27 HCl 1.199e-06 1.212e-06 -5.921 -5.917 0.004 (0) -H(0) 4.009e-15 - H2 2.004e-15 2.009e-15 -14.698 -14.697 0.001 28.34 +H(0) 8.231e-15 + H2 4.116e-15 4.125e-15 -14.386 -14.385 0.001 28.34 Na 1.000e-02 Na+ 9.993e-03 8.971e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 6.673e-06 6.705e-06 -5.176 -5.174 0.002 31.50 - NaOH 5.019e-22 5.031e-22 -21.299 -21.298 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.096 -52.095 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.721 -52.720 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.06 -26.42 -3.36 CH4 + CH4(g) -21.81 -25.17 -3.36 CH4 CO2(g) 1.26 -0.89 -2.15 CO2 - H2(g) -11.29 -14.70 -3.40 H2 + H2(g) -10.98 -14.38 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.72 -52.10 -3.37 O2 + O2(g) -49.35 -52.72 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1376,11 +1362,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.453 Charge balance - pe = 11.321 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2415 + pe = 11.315 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2405 Density (g/cm³) = 1.00691 Volume (L) = 0.99984 - Viscosity (mPa s) = 0.44965 + Viscosity (mPa s) = 0.45194 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.038e-02 Mass of water (kg) = 1.000e+00 @@ -1388,7 +1374,7 @@ Reaction 1. Total CO2 (mol/kg) = 1.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 9.953e-15 + Electrical balance (eq) = 9.975e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1403,7 +1389,7 @@ Reaction 1. OH- 6.572e-10 5.877e-10 -9.182 -9.231 -0.049 -5.32 H2O 5.551e+01 9.973e-01 1.744 -0.001 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.064 -100.063 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.023 -100.022 0.001 38.40 C(4) 1.400e-01 CO2 1.376e-01 1.378e-01 -0.861 -0.861 0.001 35.66 (CO2)2 9.962e-04 9.986e-04 -3.002 -3.001 0.001 71.33 @@ -1413,25 +1399,24 @@ C(4) 1.400e-01 Cl 1.000e-02 Cl- 9.999e-03 8.948e-03 -2.000 -2.048 -0.048 18.27 HCl 1.244e-06 1.257e-06 -5.905 -5.901 0.004 (0) -H(0) 1.529e-33 - H2 7.643e-34 7.662e-34 -33.117 -33.116 0.001 28.34 +H(0) 1.565e-33 + H2 7.827e-34 7.846e-34 -33.106 -33.105 0.001 28.34 Na 1.000e-02 Na+ 9.993e-03 8.970e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 6.920e-06 6.954e-06 -5.160 -5.158 0.002 31.50 - NaOH 4.838e-22 4.849e-22 -21.315 -21.314 0.001 (0) -O(0) 1.102e-15 - O2 5.511e-16 5.524e-16 -15.259 -15.258 0.001 31.28 +O(0) 1.051e-15 + O2 5.255e-16 5.268e-16 -15.279 -15.278 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.70 -100.06 -3.36 CH4 + CH4(g) -96.66 -100.02 -3.36 CH4 CO2(g) 1.29 -0.86 -2.15 CO2 - H2(g) -29.71 -33.12 -3.40 H2 + H2(g) -29.70 -33.11 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.89 -15.26 -3.37 O2 + O2(g) -11.91 -15.28 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1469,19 +1454,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.438 Charge balance - pe = 2.058 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2421 + pe = 2.056 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2410 Density (g/cm³) = 1.00699 Volume (L) = 1.00019 - Viscosity (mPa s) = 0.44966 + Viscosity (mPa s) = 0.45210 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.039e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.676e-15 + Total alkalinity (eq/kg) = -1.160e-14 Total CO2 (mol/kg) = 1.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 5.573e-15 + Electrical balance (eq) = 1.135e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -1495,8 +1480,8 @@ Reaction 1. H+ 4.011e-04 3.644e-04 -3.397 -3.438 -0.042 0.00 OH- 6.352e-10 5.679e-10 -9.197 -9.246 -0.049 -5.32 H2O 5.551e+01 9.971e-01 1.744 -0.001 0.000 17.92 -C(-4) 1.531e-26 - CH4 1.531e-26 1.534e-26 -25.815 -25.814 0.001 38.40 +C(-4) 1.572e-26 + CH4 1.572e-26 1.576e-26 -25.803 -25.802 0.001 38.40 C(4) 1.500e-01 CO2 1.473e-01 1.475e-01 -0.832 -0.831 0.001 35.66 (CO2)2 1.141e-03 1.144e-03 -2.943 -2.941 0.001 71.33 @@ -1506,22 +1491,21 @@ C(4) 1.500e-01 Cl 1.000e-02 Cl- 9.999e-03 8.947e-03 -2.000 -2.048 -0.048 18.27 HCl 1.287e-06 1.300e-06 -5.891 -5.886 0.004 (0) -H(0) 5.485e-15 - H2 2.742e-15 2.749e-15 -14.562 -14.561 0.001 28.34 +H(0) 5.522e-15 + H2 2.761e-15 2.767e-15 -14.559 -14.558 0.001 28.34 Na 1.000e-02 Na+ 9.993e-03 8.969e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 7.159e-06 7.193e-06 -5.145 -5.143 0.002 31.50 - NaOH 4.675e-22 4.686e-22 -21.330 -21.329 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.369 -52.368 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.374 -52.373 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.45 -25.81 -3.36 CH4 + CH4(g) -22.44 -25.80 -3.36 CH4 CO2(g) 1.32 -0.83 -2.15 CO2 - H2(g) -11.16 -14.56 -3.40 H2 + H2(g) -11.15 -14.56 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl O2(g) -49.00 -52.37 -3.37 O2 @@ -1562,19 +1546,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.425 Charge balance - pe = 11.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2426 + pe = 11.218 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2414 Density (g/cm³) = 1.00707 Volume (L) = 1.00055 - Viscosity (mPa s) = 0.44967 + Viscosity (mPa s) = 0.45225 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.041e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.038e-14 + Total alkalinity (eq/kg) = -2.045e-14 Total CO2 (mol/kg) = 1.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.987e-14 + Electrical balance (eq) = 1.994e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1589,7 +1573,7 @@ Reaction 1. OH- 6.153e-10 5.501e-10 -9.211 -9.260 -0.049 -5.32 H2O 5.551e+01 9.970e-01 1.744 -0.001 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -98.665 -98.664 0.001 38.40 + CH4 0.000e+00 0.000e+00 -98.961 -98.960 0.001 38.40 C(4) 1.600e-01 CO2 1.570e-01 1.572e-01 -0.804 -0.803 0.001 35.66 (CO2)2 1.296e-03 1.299e-03 -2.887 -2.886 0.001 71.33 @@ -1599,25 +1583,24 @@ C(4) 1.600e-01 Cl 1.000e-02 Cl- 9.999e-03 8.946e-03 -2.000 -2.048 -0.048 18.27 HCl 1.328e-06 1.342e-06 -5.877 -5.872 0.004 (0) -H(0) 3.309e-33 - H2 1.655e-33 1.659e-33 -32.781 -32.780 0.001 28.34 +H(0) 2.790e-33 + H2 1.395e-33 1.399e-33 -32.855 -32.854 0.001 28.34 Na 1.000e-02 Na+ 9.993e-03 8.968e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 7.389e-06 7.424e-06 -5.131 -5.129 0.002 31.50 - NaOH 4.528e-22 4.539e-22 -21.344 -21.343 0.001 (0) -O(0) 2.350e-16 - O2 1.175e-16 1.178e-16 -15.930 -15.929 0.001 31.28 +O(0) 3.306e-16 + O2 1.653e-16 1.657e-16 -15.782 -15.781 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -95.30 -98.66 -3.36 CH4 + CH4(g) -95.60 -98.96 -3.36 CH4 CO2(g) 1.35 -0.80 -2.15 CO2 - H2(g) -29.38 -32.78 -3.40 H2 + H2(g) -29.45 -32.85 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -12.56 -15.93 -3.37 O2 + O2(g) -12.41 -15.78 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1656,18 +1639,18 @@ Reaction 1. pH = 3.412 Charge balance pe = 11.485 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2432 + Specific Conductance (µS/cm, 65°C) = 2419 Density (g/cm³) = 1.00715 Volume (L) = 1.00091 - Viscosity (mPa s) = 0.44968 + Viscosity (mPa s) = 0.45240 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.042e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.531e-14 + Total alkalinity (eq/kg) = -2.496e-14 Total CO2 (mol/kg) = 1.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.469e-14 + Electrical balance (eq) = 2.434e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1682,7 +1665,7 @@ Reaction 1. OH- 5.972e-10 5.339e-10 -9.224 -9.273 -0.049 -5.32 H2O 5.551e+01 9.968e-01 1.744 -0.001 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.965 -100.964 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.963 -100.962 0.001 38.40 C(4) 1.700e-01 CO2 1.667e-01 1.669e-01 -0.778 -0.778 0.001 35.66 (CO2)2 1.461e-03 1.464e-03 -2.835 -2.834 0.001 71.33 @@ -1692,14 +1675,13 @@ C(4) 1.700e-01 Cl 1.000e-02 Cl- 9.999e-03 8.946e-03 -2.000 -2.048 -0.048 18.27 HCl 1.368e-06 1.382e-06 -5.864 -5.859 0.004 (0) -H(0) 8.673e-34 - H2 4.336e-34 4.347e-34 -33.363 -33.362 0.001 28.34 +H(0) 8.682e-34 + H2 4.341e-34 4.351e-34 -33.362 -33.361 0.001 28.34 Na 1.000e-02 Na+ 9.992e-03 8.968e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 7.612e-06 7.648e-06 -5.119 -5.116 0.002 31.50 - NaOH 4.394e-22 4.404e-22 -21.357 -21.356 0.001 (0) -O(0) 3.421e-15 - O2 1.710e-15 1.715e-15 -14.767 -14.766 0.001 31.28 +O(0) 3.414e-15 + O2 1.707e-15 1.711e-15 -14.768 -14.767 0.001 31.28 ------------------------------Saturation indices------------------------------- @@ -1710,7 +1692,7 @@ O(0) 3.421e-15 H2(g) -29.96 -33.36 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.39 -14.77 -3.37 O2 + O2(g) -11.40 -14.77 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1748,19 +1730,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.400 Charge balance - pe = 2.404 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2437 + pe = 2.428 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2423 Density (g/cm³) = 1.00723 Volume (L) = 1.00126 - Viscosity (mPa s) = 0.44970 + Viscosity (mPa s) = 0.45255 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.043e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.059e-14 + Total alkalinity (eq/kg) = -3.220e-14 Total CO2 (mol/kg) = 1.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.981e-14 + Electrical balance (eq) = 3.140e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1774,8 +1756,8 @@ Reaction 1. H+ 4.387e-04 3.985e-04 -3.358 -3.400 -0.042 0.00 OH- 5.806e-10 5.190e-10 -9.236 -9.285 -0.049 -5.32 H2O 5.551e+01 9.966e-01 1.744 -0.001 0.000 17.92 -C(-4) 6.407e-29 - CH4 6.407e-29 6.422e-29 -28.193 -28.192 0.001 38.40 +C(-4) 4.107e-29 + CH4 4.107e-29 4.117e-29 -28.387 -28.385 0.001 38.40 C(4) 1.800e-01 CO2 1.763e-01 1.766e-01 -0.754 -0.753 0.001 35.66 (CO2)2 1.635e-03 1.639e-03 -2.787 -2.786 0.001 71.33 @@ -1785,25 +1767,24 @@ C(4) 1.800e-01 Cl 1.000e-02 Cl- 9.999e-03 8.945e-03 -2.000 -2.048 -0.048 18.27 HCl 1.407e-06 1.421e-06 -5.852 -5.847 0.004 (0) -H(0) 1.333e-15 - H2 6.667e-16 6.683e-16 -15.176 -15.175 0.001 28.34 +H(0) 1.193e-15 + H2 5.966e-16 5.980e-16 -15.224 -15.223 0.001 28.34 Na 1.000e-02 Na+ 9.992e-03 8.967e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 7.827e-06 7.865e-06 -5.106 -5.104 0.002 31.50 - NaOH 4.271e-22 4.282e-22 -21.369 -21.368 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.141 -51.140 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.044 -51.043 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -24.83 -28.19 -3.36 CH4 + CH4(g) -25.02 -28.39 -3.36 CH4 CO2(g) 1.40 -0.75 -2.15 CO2 - H2(g) -11.77 -15.18 -3.40 H2 + H2(g) -11.82 -15.22 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -47.77 -51.14 -3.37 O2 + O2(g) -47.67 -51.04 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1841,19 +1822,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.388 Charge balance - pe = 11.477 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2441 + pe = 11.479 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2428 Density (g/cm³) = 1.00732 Volume (L) = 1.00162 - Viscosity (mPa s) = 0.44971 + Viscosity (mPa s) = 0.45270 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.044e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.006e-14 + Total alkalinity (eq/kg) = -3.937e-14 Total CO2 (mol/kg) = 1.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.904e-14 + Electrical balance (eq) = 3.837e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1868,7 +1849,7 @@ Reaction 1. OH- 5.654e-10 5.054e-10 -9.248 -9.296 -0.049 -5.32 H2O 5.551e+01 9.965e-01 1.744 -0.002 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.663 -100.662 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.683 -100.682 0.001 38.40 C(4) 1.900e-01 CO2 1.859e-01 1.862e-01 -0.731 -0.730 0.001 35.66 (CO2)2 1.818e-03 1.822e-03 -2.740 -2.739 0.001 71.33 @@ -1878,25 +1859,24 @@ C(4) 1.900e-01 Cl 1.000e-02 Cl- 9.999e-03 8.945e-03 -2.000 -2.048 -0.048 18.27 HCl 1.445e-06 1.459e-06 -5.840 -5.836 0.004 (0) -H(0) 1.004e-33 - H2 5.019e-34 5.031e-34 -33.299 -33.298 0.001 28.34 +H(0) 9.925e-34 + H2 4.963e-34 4.975e-34 -33.304 -33.303 0.001 28.34 Na 1.000e-02 Na+ 9.992e-03 8.966e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 8.037e-06 8.075e-06 -5.095 -5.093 0.002 31.50 - NaOH 4.159e-22 4.169e-22 -21.381 -21.380 0.001 (0) -O(0) 2.552e-15 - O2 1.276e-15 1.279e-15 -14.894 -14.893 0.001 31.28 +O(0) 2.610e-15 + O2 1.305e-15 1.308e-15 -14.884 -14.883 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.30 -100.66 -3.36 CH4 + CH4(g) -97.32 -100.68 -3.36 CH4 CO2(g) 1.42 -0.73 -2.15 CO2 - H2(g) -29.89 -33.30 -3.40 H2 + H2(g) -29.90 -33.30 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.52 -14.89 -3.37 O2 + O2(g) -11.51 -14.88 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1935,20 +1915,20 @@ Reaction 1. pH = 3.377 Charge balance pe = 2.258 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2446 + Specific Conductance (µS/cm, 65°C) = 2431 Density (g/cm³) = 1.00740 Volume (L) = 1.00198 - Viscosity (mPa s) = 0.44972 + Viscosity (mPa s) = 0.45285 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.045e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.462e-14 + Total alkalinity (eq/kg) = -3.966e-14 Total CO2 (mol/kg) = 2.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 4.355e-14 + Electrical balance (eq) = 3.865e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.590622e+01 @@ -1960,8 +1940,8 @@ Reaction 1. H+ 4.619e-04 4.196e-04 -3.335 -3.377 -0.042 0.00 OH- 5.513e-10 4.928e-10 -9.259 -9.307 -0.049 -5.32 H2O 5.551e+01 9.963e-01 1.744 -0.002 0.000 17.92 -C(-4) 1.565e-27 - CH4 1.565e-27 1.569e-27 -26.805 -26.804 0.001 38.40 +C(-4) 1.571e-27 + CH4 1.571e-27 1.575e-27 -26.804 -26.803 0.001 38.40 C(4) 2.000e-01 CO2 1.955e-01 1.958e-01 -0.709 -0.708 0.001 35.66 (CO2)2 2.011e-03 2.016e-03 -2.697 -2.696 0.001 71.33 @@ -1971,14 +1951,13 @@ C(4) 2.000e-01 Cl 1.000e-02 Cl- 9.999e-03 8.944e-03 -2.000 -2.048 -0.048 18.27 HCl 1.481e-06 1.497e-06 -5.829 -5.825 0.004 (0) -H(0) 2.888e-15 - H2 1.444e-15 1.448e-15 -14.840 -14.839 0.001 28.34 +H(0) 2.891e-15 + H2 1.445e-15 1.449e-15 -14.840 -14.839 0.001 28.34 Na 1.000e-02 Na+ 9.992e-03 8.966e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 8.240e-06 8.280e-06 -5.084 -5.082 0.002 31.50 - NaOH 4.055e-22 4.064e-22 -21.392 -21.391 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.812 -51.811 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.813 -51.812 0.001 31.28 ------------------------------Saturation indices------------------------------- @@ -2027,19 +2006,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.367 Charge balance - pe = 11.456 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2451 + pe = 11.455 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2435 Density (g/cm³) = 1.00748 Volume (L) = 1.00233 - Viscosity (mPa s) = 0.44973 + Viscosity (mPa s) = 0.45300 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.046e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.042e-14 + Total alkalinity (eq/kg) = -5.019e-14 Total CO2 (mol/kg) = 2.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 4.920e-14 + Electrical balance (eq) = 4.896e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2054,7 +2033,7 @@ Reaction 1. OH- 5.383e-10 4.811e-10 -9.269 -9.318 -0.049 -5.32 H2O 5.551e+01 9.961e-01 1.744 -0.002 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.286 -100.285 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.271 -100.270 0.001 38.40 C(4) 2.100e-01 CO2 2.051e-01 2.054e-01 -0.688 -0.687 0.001 35.66 (CO2)2 2.213e-03 2.218e-03 -2.655 -2.654 0.001 71.33 @@ -2064,25 +2043,24 @@ C(4) 2.100e-01 Cl 1.000e-02 Cl- 9.999e-03 8.944e-03 -2.000 -2.048 -0.048 18.27 HCl 1.517e-06 1.533e-06 -5.819 -5.815 0.004 (0) -H(0) 1.217e-33 - H2 6.085e-34 6.100e-34 -33.216 -33.215 0.001 28.34 +H(0) 1.228e-33 + H2 6.139e-34 6.154e-34 -33.212 -33.211 0.001 28.34 Na 1.000e-02 Na+ 9.992e-03 8.965e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 8.439e-06 8.479e-06 -5.074 -5.072 0.002 31.50 - NaOH 3.958e-22 3.968e-22 -21.403 -21.401 0.001 (0) -O(0) 1.735e-15 - O2 8.673e-16 8.694e-16 -15.062 -15.061 0.001 31.28 +O(0) 1.704e-15 + O2 8.522e-16 8.543e-16 -15.069 -15.068 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.92 -100.28 -3.36 CH4 + CH4(g) -96.91 -100.27 -3.36 CH4 CO2(g) 1.46 -0.69 -2.15 CO2 H2(g) -29.81 -33.21 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.69 -15.06 -3.37 O2 + O2(g) -11.70 -15.07 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2120,19 +2098,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.357 Charge balance - pe = 2.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2455 + pe = 2.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2439 Density (g/cm³) = 1.00756 Volume (L) = 1.00269 - Viscosity (mPa s) = 0.44974 + Viscosity (mPa s) = 0.45315 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.048e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.974e-14 + Total alkalinity (eq/kg) = -1.920e-14 Total CO2 (mol/kg) = 2.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 4.846e-14 + Electrical balance (eq) = 1.873e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -2146,8 +2124,8 @@ Reaction 1. H+ 4.840e-04 4.396e-04 -3.315 -3.357 -0.042 0.00 OH- 5.261e-10 4.702e-10 -9.279 -9.328 -0.049 -5.32 H2O 5.551e+01 9.960e-01 1.744 -0.002 0.000 17.92 -C(-4) 1.103e-26 - CH4 1.103e-26 1.106e-26 -25.957 -25.956 0.001 38.40 +C(-4) 1.015e-26 + CH4 1.015e-26 1.018e-26 -25.993 -25.992 0.001 38.40 C(4) 2.200e-01 CO2 2.147e-01 2.150e-01 -0.668 -0.668 0.001 35.66 (CO2)2 2.424e-03 2.430e-03 -2.615 -2.614 0.001 71.33 @@ -2157,25 +2135,24 @@ C(4) 2.200e-01 Cl 1.000e-02 Cl- 9.999e-03 8.943e-03 -2.000 -2.048 -0.048 18.27 HCl 1.552e-06 1.568e-06 -5.809 -5.805 0.004 (0) -H(0) 4.596e-15 - H2 2.298e-15 2.304e-15 -14.639 -14.638 0.001 28.34 +H(0) 4.502e-15 + H2 2.251e-15 2.257e-15 -14.648 -14.647 0.001 28.34 Na 1.000e-02 Na+ 9.991e-03 8.965e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 8.632e-06 8.674e-06 -5.064 -5.062 0.002 31.50 - NaOH 3.868e-22 3.878e-22 -21.412 -21.411 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.216 -52.215 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.198 -52.197 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.60 -25.96 -3.36 CH4 + CH4(g) -22.63 -25.99 -3.36 CH4 CO2(g) 1.48 -0.67 -2.15 CO2 - H2(g) -11.23 -14.64 -3.40 H2 + H2(g) -11.24 -14.65 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.84 -52.22 -3.37 O2 + O2(g) -48.83 -52.20 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2213,21 +2190,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.348 Charge balance - pe = 11.389 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2459 + pe = 11.399 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2442 Density (g/cm³) = 1.00764 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.44975 + Viscosity (mPa s) = 0.45329 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.049e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.457e-14 + Total alkalinity (eq/kg) = -4.344e-14 Total CO2 (mol/kg) = 2.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.397e-14 + Electrical balance (eq) = 4.255e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.596622e+01 @@ -2240,7 +2217,7 @@ Reaction 1. OH- 5.148e-10 4.600e-10 -9.288 -9.337 -0.049 -5.32 H2O 5.551e+01 9.958e-01 1.744 -0.002 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.550 -99.549 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.631 -99.630 0.001 38.40 C(4) 2.300e-01 CO2 2.242e-01 2.246e-01 -0.649 -0.649 0.001 35.66 (CO2)2 2.644e-03 2.651e-03 -2.578 -2.577 0.001 71.33 @@ -2250,25 +2227,24 @@ C(4) 2.300e-01 Cl 1.000e-02 Cl- 9.999e-03 8.943e-03 -2.000 -2.049 -0.048 18.27 HCl 1.586e-06 1.602e-06 -5.800 -5.795 0.004 (0) -H(0) 1.817e-33 - H2 9.086e-34 9.108e-34 -33.042 -33.041 0.001 28.34 +H(0) 1.735e-33 + H2 8.676e-34 8.697e-34 -33.062 -33.061 0.001 28.34 Na 1.000e-02 Na+ 9.991e-03 8.964e-03 -2.000 -2.047 -0.047 1.45 NaHCO3 8.820e-06 8.863e-06 -5.055 -5.052 0.002 31.50 - NaOH 3.784e-22 3.794e-22 -21.422 -21.421 0.001 (0) -O(0) 7.775e-16 - O2 3.888e-16 3.897e-16 -15.410 -15.409 0.001 31.28 +O(0) 8.529e-16 + O2 4.264e-16 4.275e-16 -15.370 -15.369 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.19 -99.55 -3.36 CH4 + CH4(g) -96.27 -99.63 -3.36 CH4 CO2(g) 1.50 -0.65 -2.15 CO2 - H2(g) -29.64 -33.04 -3.40 H2 + H2(g) -29.66 -33.06 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -12.04 -15.41 -3.37 O2 + O2(g) -12.00 -15.37 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2306,19 +2282,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.339 Charge balance - pe = 2.134 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2463 + pe = 2.135 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2446 Density (g/cm³) = 1.00772 Volume (L) = 1.00340 - Viscosity (mPa s) = 0.44976 + Viscosity (mPa s) = 0.45344 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.050e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.690e-14 + Total alkalinity (eq/kg) = -6.013e-14 Total CO2 (mol/kg) = 2.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.526e-14 + Electrical balance (eq) = 5.858e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -2332,8 +2308,8 @@ Reaction 1. H+ 5.050e-04 4.586e-04 -3.297 -3.339 -0.042 0.00 OH- 5.041e-10 4.505e-10 -9.297 -9.346 -0.049 -5.32 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 17.92 -C(-4) 3.775e-26 - CH4 3.775e-26 3.784e-26 -25.423 -25.422 0.001 38.40 +C(-4) 3.695e-26 + CH4 3.695e-26 3.704e-26 -25.432 -25.431 0.001 38.40 C(4) 2.400e-01 CO2 2.337e-01 2.341e-01 -0.631 -0.631 0.001 35.66 (CO2)2 2.874e-03 2.881e-03 -2.542 -2.540 0.001 71.33 @@ -2343,22 +2319,21 @@ C(4) 2.400e-01 Cl 1.000e-02 Cl- 9.998e-03 8.942e-03 -2.000 -2.049 -0.048 18.27 HCl 1.619e-06 1.635e-06 -5.791 -5.786 0.004 (0) -H(0) 6.119e-15 - H2 3.060e-15 3.067e-15 -14.514 -14.513 0.001 28.34 +H(0) 6.086e-15 + H2 3.043e-15 3.051e-15 -14.517 -14.516 0.001 28.34 Na 1.000e-02 Na+ 9.991e-03 8.963e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 9.005e-06 9.048e-06 -5.046 -5.043 0.002 31.50 - NaOH 3.706e-22 3.715e-22 -21.431 -21.430 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.465 -52.464 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.460 -52.459 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.06 -25.42 -3.36 CH4 + CH4(g) -22.07 -25.43 -3.36 CH4 CO2(g) 1.52 -0.63 -2.15 CO2 - H2(g) -11.11 -14.51 -3.40 H2 + H2(g) -11.11 -14.52 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl O2(g) -49.09 -52.46 -3.37 O2 @@ -2399,21 +2374,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.330 Charge balance - pe = 11.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2467 + pe = 2.797 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2449 Density (g/cm³) = 1.00780 Volume (L) = 1.00376 - Viscosity (mPa s) = 0.44977 + Viscosity (mPa s) = 0.45359 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.051e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.461e-14 + Total alkalinity (eq/kg) = -3.002e-14 Total CO2 (mol/kg) = 2.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -1.367e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Electrical balance (eq) = 2.924e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 61 Total H = 1.110124e+02 Total O = 5.600622e+01 @@ -2425,8 +2400,8 @@ Reaction 1. H+ 5.151e-04 4.678e-04 -3.288 -3.330 -0.042 0.00 OH- 4.942e-10 4.416e-10 -9.306 -9.355 -0.049 -5.32 H2O 5.551e+01 9.955e-01 1.744 -0.002 0.000 17.92 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -97.672 -97.671 0.001 38.40 +C(-4) 2.292e-31 + CH4 2.292e-31 2.297e-31 -30.640 -30.639 0.001 38.40 C(4) 2.500e-01 CO2 2.433e-01 2.436e-01 -0.614 -0.613 0.001 35.66 (CO2)2 3.113e-03 3.120e-03 -2.507 -2.506 0.001 71.33 @@ -2436,25 +2411,24 @@ C(4) 2.500e-01 Cl 1.000e-02 Cl- 9.998e-03 8.942e-03 -2.000 -2.049 -0.048 18.27 HCl 1.651e-06 1.668e-06 -5.782 -5.778 0.004 (0) -H(0) 5.251e-33 - H2 2.625e-33 2.632e-33 -32.581 -32.580 0.001 28.34 +H(0) 3.007e-16 + H2 1.503e-16 1.507e-16 -15.823 -15.822 0.001 28.34 Na 1.000e-02 Na+ 9.991e-03 8.963e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 9.185e-06 9.229e-06 -5.037 -5.035 0.002 31.50 - NaOH 3.632e-22 3.641e-22 -21.440 -21.439 0.001 (0) -O(0) 9.307e-17 - O2 4.654e-17 4.665e-17 -16.332 -16.331 0.001 31.28 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -49.848 -49.847 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -94.31 -97.67 -3.36 CH4 + CH4(g) -27.28 -30.64 -3.36 CH4 CO2(g) 1.54 -0.61 -2.15 CO2 - H2(g) -29.18 -32.58 -3.40 H2 + H2(g) -12.42 -15.82 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -12.96 -16.33 -3.37 O2 + O2(g) -46.48 -49.85 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2492,19 +2466,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.322 Charge balance - pe = 11.560 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2471 + pe = 11.565 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2452 Density (g/cm³) = 1.00788 Volume (L) = 1.00411 - Viscosity (mPa s) = 0.44978 + Viscosity (mPa s) = 0.45373 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.052e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.670e-14 + Total alkalinity (eq/kg) = 1.497e-14 Total CO2 (mol/kg) = 2.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -3.506e-14 + Electrical balance (eq) = -1.397e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2519,7 +2493,7 @@ Reaction 1. OH- 4.848e-10 4.332e-10 -9.314 -9.363 -0.049 -5.32 H2O 5.551e+01 9.953e-01 1.744 -0.002 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.663 -100.662 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.698 -100.697 0.001 38.40 C(4) 2.600e-01 CO2 2.528e-01 2.532e-01 -0.597 -0.597 0.001 35.66 (CO2)2 3.360e-03 3.368e-03 -2.474 -2.473 0.001 71.33 @@ -2529,25 +2503,24 @@ C(4) 2.600e-01 Cl 1.000e-02 Cl- 9.998e-03 8.942e-03 -2.000 -2.049 -0.049 18.27 HCl 1.683e-06 1.700e-06 -5.774 -5.770 0.004 (0) -H(0) 9.291e-34 - H2 4.645e-34 4.657e-34 -33.333 -33.332 0.001 28.34 +H(0) 9.108e-34 + H2 4.554e-34 4.565e-34 -33.342 -33.341 0.001 28.34 Na 1.000e-02 Na+ 9.991e-03 8.962e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 9.361e-06 9.406e-06 -5.029 -5.027 0.002 31.50 - NaOH 3.563e-22 3.571e-22 -21.448 -21.447 0.001 (0) -O(0) 2.971e-15 - O2 1.486e-15 1.489e-15 -14.828 -14.827 0.001 31.28 +O(0) 3.092e-15 + O2 1.546e-15 1.550e-15 -14.811 -14.810 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.30 -100.66 -3.36 CH4 + CH4(g) -97.34 -100.70 -3.36 CH4 CO2(g) 1.55 -0.60 -2.15 CO2 - H2(g) -29.93 -33.33 -3.40 H2 + H2(g) -29.94 -33.34 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.46 -14.83 -3.37 O2 + O2(g) -11.44 -14.81 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2585,21 +2558,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.314 Charge balance - pe = 2.411 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2474 + pe = 2.455 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2455 Density (g/cm³) = 1.00796 Volume (L) = 1.00447 - Viscosity (mPa s) = 0.44979 + Viscosity (mPa s) = 0.45388 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.053e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.203e-13 + Total alkalinity (eq/kg) = 2.193e-13 Total CO2 (mol/kg) = 2.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -2.133e-13 + Electrical balance (eq) = -2.124e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.604622e+01 @@ -2611,8 +2584,8 @@ Reaction 1. H+ 5.348e-04 4.857e-04 -3.272 -3.314 -0.042 0.00 OH- 4.759e-10 4.252e-10 -9.322 -9.371 -0.049 -5.32 H2O 5.551e+01 9.951e-01 1.744 -0.002 0.000 17.92 -C(-4) 4.089e-28 - CH4 4.089e-28 4.099e-28 -27.388 -27.387 0.001 38.40 +C(-4) 1.816e-28 + CH4 1.816e-28 1.821e-28 -27.741 -27.740 0.001 38.40 C(4) 2.700e-01 CO2 2.622e-01 2.627e-01 -0.581 -0.581 0.001 35.66 (CO2)2 3.617e-03 3.626e-03 -2.442 -2.441 0.001 71.33 @@ -2622,25 +2595,24 @@ C(4) 2.700e-01 Cl 1.000e-02 Cl- 9.998e-03 8.941e-03 -2.000 -2.049 -0.049 18.27 HCl 1.714e-06 1.732e-06 -5.766 -5.762 0.004 (0) -H(0) 1.918e-15 - H2 9.588e-16 9.611e-16 -15.018 -15.017 0.001 28.34 +H(0) 1.566e-15 + H2 7.828e-16 7.847e-16 -15.106 -15.105 0.001 28.34 Na 1.000e-02 Na+ 9.991e-03 8.962e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 9.533e-06 9.579e-06 -5.021 -5.019 0.002 31.50 - NaOH 3.497e-22 3.506e-22 -21.456 -21.455 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.458 -51.457 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.281 -51.280 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -24.03 -27.39 -3.36 CH4 + CH4(g) -24.38 -27.74 -3.36 CH4 CO2(g) 1.57 -0.58 -2.15 CO2 - H2(g) -11.61 -15.02 -3.40 H2 + H2(g) -11.70 -15.11 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.09 -51.46 -3.37 O2 + O2(g) -47.91 -51.28 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2678,19 +2650,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.306 Charge balance - pe = 11.542 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2478 + pe = 11.544 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2458 Density (g/cm³) = 1.00804 Volume (L) = 1.00483 - Viscosity (mPa s) = 0.44980 + Viscosity (mPa s) = 0.45402 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.053e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.423e-13 + Total alkalinity (eq/kg) = 2.734e-13 Total CO2 (mol/kg) = 2.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -1.375e-13 + Electrical balance (eq) = -2.649e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2705,7 +2677,7 @@ Reaction 1. OH- 4.675e-10 4.177e-10 -9.330 -9.379 -0.049 -5.32 H2O 5.551e+01 9.950e-01 1.744 -0.002 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.364 -100.363 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.374 -100.373 0.001 38.40 C(4) 2.800e-01 CO2 2.717e-01 2.721e-01 -0.566 -0.565 0.001 35.66 (CO2)2 3.883e-03 3.892e-03 -2.411 -2.410 0.001 71.33 @@ -2715,25 +2687,24 @@ C(4) 2.800e-01 Cl 1.000e-02 Cl- 9.998e-03 8.941e-03 -2.000 -2.049 -0.049 18.27 HCl 1.744e-06 1.762e-06 -5.758 -5.754 0.004 (0) -H(0) 1.084e-33 - H2 5.421e-34 5.434e-34 -33.266 -33.265 0.001 28.34 +H(0) 1.078e-33 + H2 5.388e-34 5.401e-34 -33.269 -33.268 0.001 28.34 Na 1.000e-02 Na+ 9.990e-03 8.961e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 9.702e-06 9.749e-06 -5.013 -5.011 0.002 31.50 - NaOH 3.435e-22 3.444e-22 -21.464 -21.463 0.001 (0) -O(0) 2.181e-15 - O2 1.090e-15 1.093e-15 -14.962 -14.961 0.001 31.28 +O(0) 2.207e-15 + O2 1.104e-15 1.106e-15 -14.957 -14.956 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.00 -100.36 -3.36 CH4 + CH4(g) -97.01 -100.37 -3.36 CH4 CO2(g) 1.59 -0.57 -2.15 CO2 - H2(g) -29.86 -33.26 -3.40 H2 + H2(g) -29.86 -33.27 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.59 -14.96 -3.37 O2 + O2(g) -11.58 -14.96 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2771,19 +2742,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.299 Charge balance - pe = 2.289 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2481 + pe = 2.291 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2460 Density (g/cm³) = 1.00812 Volume (L) = 1.00518 - Viscosity (mPa s) = 0.44981 + Viscosity (mPa s) = 0.45416 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.054e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.856e-12 + Total alkalinity (eq/kg) = 6.166e-13 Total CO2 (mol/kg) = 2.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -1.804e-12 + Electrical balance (eq) = -5.983e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2797,8 +2768,8 @@ Reaction 1. H+ 5.537e-04 5.028e-04 -3.257 -3.299 -0.042 0.00 OH- 4.596e-10 4.106e-10 -9.338 -9.387 -0.049 -5.32 H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 17.92 -C(-4) 5.486e-27 - CH4 5.486e-27 5.499e-27 -26.261 -26.260 0.001 38.40 +C(-4) 5.263e-27 + CH4 5.263e-27 5.276e-27 -26.279 -26.278 0.001 38.40 C(4) 2.900e-01 CO2 2.811e-01 2.816e-01 -0.551 -0.550 0.001 35.66 (CO2)2 4.157e-03 4.167e-03 -2.381 -2.380 0.001 71.33 @@ -2808,25 +2779,24 @@ C(4) 2.900e-01 Cl 1.000e-02 Cl- 9.998e-03 8.940e-03 -2.000 -2.049 -0.049 18.27 HCl 1.774e-06 1.792e-06 -5.751 -5.747 0.004 (0) -H(0) 3.606e-15 - H2 1.803e-15 1.807e-15 -14.744 -14.743 0.001 28.34 +H(0) 3.569e-15 + H2 1.785e-15 1.789e-15 -14.748 -14.747 0.001 28.34 Na 1.000e-02 Na+ 9.990e-03 8.961e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 9.868e-06 9.916e-06 -5.006 -5.004 0.002 31.50 - NaOH 3.377e-22 3.385e-22 -21.472 -21.470 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.006 -52.005 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.997 -51.996 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.90 -26.26 -3.36 CH4 + CH4(g) -22.92 -26.28 -3.36 CH4 CO2(g) 1.60 -0.55 -2.15 CO2 - H2(g) -11.34 -14.74 -3.40 H2 + H2(g) -11.34 -14.75 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.63 -52.01 -3.37 O2 + O2(g) -48.63 -52.00 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2865,18 +2835,18 @@ Reaction 1. pH = 3.291 Charge balance pe = 11.512 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2485 + Specific Conductance (µS/cm, 65°C) = 2463 Density (g/cm³) = 1.00820 Volume (L) = 1.00554 - Viscosity (mPa s) = 0.44981 + Viscosity (mPa s) = 0.45431 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.055e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.021e-13 + Total alkalinity (eq/kg) = 6.005e-13 Total CO2 (mol/kg) = 3.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -5.842e-13 + Electrical balance (eq) = -5.826e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2891,7 +2861,7 @@ Reaction 1. OH- 4.521e-10 4.039e-10 -9.345 -9.394 -0.049 -5.32 H2O 5.551e+01 9.946e-01 1.744 -0.002 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.975 -99.974 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.972 -99.971 0.001 38.40 C(4) 3.000e-01 CO2 2.906e-01 2.910e-01 -0.537 -0.536 0.001 35.66 (CO2)2 4.441e-03 4.451e-03 -2.353 -2.352 0.001 71.33 @@ -2901,14 +2871,13 @@ C(4) 3.000e-01 Cl 1.000e-02 Cl- 9.998e-03 8.940e-03 -2.000 -2.049 -0.049 18.27 HCl 1.803e-06 1.822e-06 -5.744 -5.739 0.004 (0) -H(0) 1.333e-33 - H2 6.666e-34 6.682e-34 -33.176 -33.175 0.001 28.34 +H(0) 1.336e-33 + H2 6.678e-34 6.695e-34 -33.175 -33.174 0.001 28.34 Na 1.000e-02 Na+ 9.990e-03 8.960e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.003e-05 1.008e-05 -4.999 -4.997 0.002 31.50 - NaOH 3.321e-22 3.329e-22 -21.479 -21.478 0.001 (0) -O(0) 1.441e-15 - O2 7.206e-16 7.223e-16 -15.142 -15.141 0.001 31.28 +O(0) 1.436e-15 + O2 7.179e-16 7.196e-16 -15.144 -15.143 0.001 31.28 ------------------------------Saturation indices------------------------------- @@ -2916,7 +2885,7 @@ O(0) 1.441e-15 CH4(g) -96.61 -99.97 -3.36 CH4 CO2(g) 1.61 -0.54 -2.15 CO2 - H2(g) -29.77 -33.18 -3.40 H2 + H2(g) -29.77 -33.17 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl O2(g) -11.77 -15.14 -3.37 O2 @@ -2957,21 +2926,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.285 Charge balance - pe = 2.246 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2488 + pe = 1.455 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2465 Density (g/cm³) = 1.00828 Volume (L) = 1.00590 - Viscosity (mPa s) = 0.44982 + Viscosity (mPa s) = 0.45445 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.056e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.219e-14 + Total alkalinity (eq/kg) = 1.409e-12 Total CO2 (mol/kg) = 3.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -2.069e-14 + Electrical balance (eq) = -1.368e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.612622e+01 @@ -2983,8 +2952,8 @@ Reaction 1. H+ 5.719e-04 5.193e-04 -3.243 -3.285 -0.042 0.00 OH- 4.449e-10 3.974e-10 -9.352 -9.401 -0.049 -5.32 H2O 5.551e+01 9.945e-01 1.744 -0.002 0.000 17.92 -C(-4) 1.668e-26 - CH4 1.668e-26 1.672e-26 -25.778 -25.777 0.001 38.40 +C(-4) 3.559e-20 + CH4 3.559e-20 3.568e-20 -19.449 -19.448 0.001 38.40 C(4) 3.100e-01 CO2 3.000e-01 3.004e-01 -0.523 -0.522 0.001 35.66 (CO2)2 4.733e-03 4.744e-03 -2.325 -2.324 0.001 71.33 @@ -2994,25 +2963,24 @@ C(4) 3.100e-01 Cl 1.000e-02 Cl- 9.998e-03 8.939e-03 -2.000 -2.049 -0.049 18.27 HCl 1.832e-06 1.851e-06 -5.737 -5.733 0.004 (0) -H(0) 4.685e-15 - H2 2.342e-15 2.348e-15 -14.630 -14.629 0.001 28.34 +H(0) 1.790e-13 + H2 8.952e-14 8.974e-14 -13.048 -13.047 0.001 28.34 Na 1.000e-02 Na+ 9.990e-03 8.960e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.019e-05 1.024e-05 -4.992 -4.990 0.002 31.50 - NaOH 3.268e-22 3.276e-22 -21.486 -21.485 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.234 -52.233 0.001 31.28 + O2 0.000e+00 0.000e+00 -55.399 -55.398 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.42 -25.78 -3.36 CH4 + CH4(g) -16.09 -19.45 -3.36 CH4 CO2(g) 1.63 -0.52 -2.15 CO2 - H2(g) -11.23 -14.63 -3.40 H2 + H2(g) -9.64 -13.05 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.86 -52.23 -3.37 O2 + O2(g) -52.03 -55.40 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3050,21 +3018,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.278 Charge balance - pe = 11.417 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2491 + pe = 11.435 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2468 Density (g/cm³) = 1.00836 Volume (L) = 1.00625 - Viscosity (mPa s) = 0.44983 + Viscosity (mPa s) = 0.45459 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.057e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.109e-12 + Total alkalinity (eq/kg) = -6.330e-15 Total CO2 (mol/kg) = 3.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -1.076e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Electrical balance (eq) = 6.220e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.614622e+01 @@ -3077,7 +3045,7 @@ Reaction 1. OH- 4.381e-10 3.913e-10 -9.358 -9.407 -0.049 -5.32 H2O 5.551e+01 9.943e-01 1.744 -0.002 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.081 -99.080 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.222 -99.221 0.001 38.40 C(4) 3.200e-01 CO2 3.094e-01 3.099e-01 -0.510 -0.509 0.001 35.66 (CO2)2 5.034e-03 5.046e-03 -2.298 -2.297 0.001 71.33 @@ -3087,25 +3055,24 @@ C(4) 3.200e-01 Cl 1.000e-02 Cl- 9.998e-03 8.939e-03 -2.000 -2.049 -0.049 18.27 HCl 1.860e-06 1.880e-06 -5.730 -5.726 0.004 (0) -H(0) 2.196e-33 - H2 1.098e-33 1.101e-33 -32.959 -32.958 0.001 28.34 +H(0) 2.024e-33 + H2 1.012e-33 1.014e-33 -32.995 -32.994 0.001 28.34 Na 1.000e-02 Na+ 9.990e-03 8.959e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.035e-05 1.040e-05 -4.985 -4.983 0.002 31.50 - NaOH 3.218e-22 3.225e-22 -21.492 -21.491 0.001 (0) -O(0) 5.309e-16 - O2 2.654e-16 2.661e-16 -15.576 -15.575 0.001 31.28 +O(0) 6.248e-16 + O2 3.124e-16 3.132e-16 -15.505 -15.504 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -95.72 -99.08 -3.36 CH4 + CH4(g) -95.86 -99.22 -3.36 CH4 CO2(g) 1.64 -0.51 -2.15 CO2 - H2(g) -29.55 -32.96 -3.40 H2 + H2(g) -29.59 -32.99 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -12.20 -15.57 -3.37 O2 + O2(g) -12.13 -15.50 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3143,21 +3110,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.272 Charge balance - pe = 2.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2494 + pe = 2.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2470 Density (g/cm³) = 1.00844 Volume (L) = 1.00661 - Viscosity (mPa s) = 0.44984 + Viscosity (mPa s) = 0.45474 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.058e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.151e-12 + Total alkalinity (eq/kg) = -5.669e-16 Total CO2 (mol/kg) = 3.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -1.118e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Electrical balance (eq) = 6.344e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.616622e+01 @@ -3169,8 +3136,8 @@ Reaction 1. H+ 5.894e-04 5.352e-04 -3.230 -3.272 -0.042 0.00 OH- 4.316e-10 3.855e-10 -9.365 -9.414 -0.049 -5.32 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 17.92 -C(-4) 7.736e-26 - CH4 7.736e-26 7.754e-26 -25.112 -25.110 0.001 38.40 +C(-4) 7.008e-26 + CH4 7.008e-26 7.025e-26 -25.154 -25.153 0.001 38.40 C(4) 3.300e-01 CO2 3.187e-01 3.192e-01 -0.497 -0.496 0.001 35.66 (CO2)2 5.343e-03 5.356e-03 -2.272 -2.271 0.001 71.33 @@ -3180,25 +3147,24 @@ C(4) 3.300e-01 Cl 1.000e-02 Cl- 9.998e-03 8.939e-03 -2.000 -2.049 -0.049 18.27 HCl 1.888e-06 1.908e-06 -5.724 -5.720 0.005 (0) -H(0) 6.770e-15 - H2 3.385e-15 3.393e-15 -14.470 -14.469 0.001 28.34 +H(0) 6.605e-15 + H2 3.302e-15 3.310e-15 -14.481 -14.480 0.001 28.34 Na 1.000e-02 Na+ 9.990e-03 8.959e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.050e-05 1.055e-05 -4.979 -4.977 0.002 31.50 - NaOH 3.170e-22 3.177e-22 -21.499 -21.498 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.554 -52.553 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.533 -52.532 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.75 -25.11 -3.36 CH4 + CH4(g) -21.79 -25.15 -3.36 CH4 CO2(g) 1.65 -0.50 -2.15 CO2 - H2(g) -11.07 -14.47 -3.40 H2 + H2(g) -11.08 -14.48 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -49.18 -52.55 -3.37 O2 + O2(g) -49.16 -52.53 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3236,21 +3202,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.265 Charge balance - pe = 2.593 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2497 + pe = 2.699 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2472 Density (g/cm³) = 1.00852 Volume (L) = 1.00696 - Viscosity (mPa s) = 0.44985 + Viscosity (mPa s) = 0.45488 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.059e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.437e-13 + Total alkalinity (eq/kg) = 3.356e-13 Total CO2 (mol/kg) = 3.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -6.242e-13 + Electrical balance (eq) = -3.249e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 29 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.618622e+01 @@ -3262,8 +3228,8 @@ Reaction 1. H+ 5.980e-04 5.429e-04 -3.223 -3.265 -0.042 0.00 OH- 4.253e-10 3.799e-10 -9.371 -9.420 -0.049 -5.32 H2O 5.551e+01 9.940e-01 1.744 -0.003 0.000 17.92 -C(-4) 4.367e-29 - CH4 4.367e-29 4.377e-29 -28.360 -28.359 0.001 38.40 +C(-4) 6.230e-30 + CH4 6.230e-30 6.245e-30 -29.206 -29.204 0.001 38.40 C(4) 3.400e-01 CO2 3.281e-01 3.286e-01 -0.484 -0.483 0.001 35.66 (CO2)2 5.662e-03 5.675e-03 -2.247 -2.246 0.001 71.33 @@ -3273,25 +3239,24 @@ C(4) 3.400e-01 Cl 1.000e-02 Cl- 9.998e-03 8.938e-03 -2.000 -2.049 -0.049 18.27 HCl 1.915e-06 1.935e-06 -5.718 -5.713 0.005 (0) -H(0) 1.036e-15 - H2 5.180e-16 5.192e-16 -15.286 -15.285 0.001 28.34 +H(0) 6.367e-16 + H2 3.183e-16 3.191e-16 -15.497 -15.496 0.001 28.34 Na 1.000e-02 Na+ 9.989e-03 8.958e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.065e-05 1.070e-05 -4.973 -4.970 0.002 31.50 - NaOH 3.124e-22 3.131e-22 -21.505 -21.504 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.924 -50.923 0.001 31.28 + O2 0.000e+00 0.000e+00 -50.501 -50.500 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -25.00 -28.36 -3.36 CH4 + CH4(g) -25.84 -29.20 -3.36 CH4 CO2(g) 1.67 -0.48 -2.15 CO2 - H2(g) -11.88 -15.28 -3.40 H2 + H2(g) -12.09 -15.50 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -47.55 -50.92 -3.37 O2 + O2(g) -47.13 -50.50 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3329,19 +3294,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.259 Charge balance - pe = 11.623 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2500 + pe = 11.615 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2474 Density (g/cm³) = 1.00860 Volume (L) = 1.00732 - Viscosity (mPa s) = 0.44986 + Viscosity (mPa s) = 0.45502 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.060e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.572e-12 + Total alkalinity (eq/kg) = 1.529e-12 Total CO2 (mol/kg) = 3.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -1.526e-12 + Electrical balance (eq) = -1.485e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -3356,7 +3321,7 @@ Reaction 1. OH- 4.194e-10 3.746e-10 -9.377 -9.426 -0.049 -5.32 H2O 5.551e+01 9.938e-01 1.744 -0.003 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.537 -100.535 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.472 -100.470 0.001 38.40 C(4) 3.500e-01 CO2 3.374e-01 3.380e-01 -0.472 -0.471 0.001 35.66 (CO2)2 5.988e-03 6.003e-03 -2.223 -2.222 0.001 71.33 @@ -3366,25 +3331,24 @@ C(4) 3.500e-01 Cl 1.000e-02 Cl- 9.998e-03 8.938e-03 -2.000 -2.049 -0.049 18.27 HCl 1.942e-06 1.962e-06 -5.712 -5.707 0.005 (0) -H(0) 9.291e-34 - H2 4.646e-34 4.657e-34 -33.333 -33.332 0.001 28.34 +H(0) 9.646e-34 + H2 4.823e-34 4.835e-34 -33.317 -33.316 0.001 28.34 Na 1.000e-02 Na+ 9.989e-03 8.958e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.080e-05 1.085e-05 -4.967 -4.964 0.002 31.50 - NaOH 3.080e-22 3.087e-22 -21.512 -21.510 0.001 (0) -O(0) 2.962e-15 - O2 1.481e-15 1.485e-15 -14.829 -14.828 0.001 31.28 +O(0) 2.749e-15 + O2 1.374e-15 1.378e-15 -14.862 -14.861 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.17 -100.54 -3.36 CH4 + CH4(g) -97.11 -100.47 -3.36 CH4 CO2(g) 1.68 -0.47 -2.15 CO2 - H2(g) -29.93 -33.33 -3.40 H2 + H2(g) -29.91 -33.32 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.46 -14.83 -3.37 O2 + O2(g) -11.49 -14.86 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3422,21 +3386,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.253 Charge balance - pe = 2.453 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2503 + pe = 2.440 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2476 Density (g/cm³) = 1.00868 Volume (L) = 1.00768 - Viscosity (mPa s) = 0.44986 + Viscosity (mPa s) = 0.45516 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.060e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.283e-14 + Total alkalinity (eq/kg) = -1.691e-16 Total CO2 (mol/kg) = 3.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.224e-14 + Electrical balance (eq) = 2.402e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.622622e+01 @@ -3448,8 +3412,8 @@ Reaction 1. H+ 6.147e-04 5.581e-04 -3.211 -3.253 -0.042 0.00 OH- 4.137e-10 3.695e-10 -9.383 -9.432 -0.049 -5.31 H2O 5.551e+01 9.936e-01 1.744 -0.003 0.000 17.92 -C(-4) 7.642e-28 - CH4 7.642e-28 7.661e-28 -27.117 -27.116 0.001 38.40 +C(-4) 9.550e-28 + CH4 9.550e-28 9.574e-28 -27.020 -27.019 0.001 38.40 C(4) 3.600e-01 CO2 3.467e-01 3.473e-01 -0.460 -0.459 0.001 35.66 (CO2)2 6.324e-03 6.339e-03 -2.199 -2.198 0.001 71.33 @@ -3459,25 +3423,24 @@ C(4) 3.600e-01 Cl 1.000e-02 Cl- 9.998e-03 8.938e-03 -2.000 -2.049 -0.049 18.27 HCl 1.968e-06 1.989e-06 -5.706 -5.701 0.005 (0) -H(0) 2.089e-15 - H2 1.045e-15 1.047e-15 -14.981 -14.980 0.001 28.34 +H(0) 2.209e-15 + H2 1.105e-15 1.107e-15 -14.957 -14.956 0.001 28.34 Na 1.000e-02 Na+ 9.989e-03 8.957e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.095e-05 1.100e-05 -4.961 -4.959 0.002 31.50 - NaOH 3.038e-22 3.045e-22 -21.517 -21.516 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.533 -51.532 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.582 -51.581 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.75 -27.12 -3.36 CH4 + CH4(g) -23.66 -27.02 -3.36 CH4 CO2(g) 1.69 -0.46 -2.15 CO2 - H2(g) -11.58 -14.98 -3.40 H2 + H2(g) -11.55 -14.96 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.16 -51.53 -3.37 O2 + O2(g) -48.21 -51.58 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3515,21 +3478,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.248 Charge balance - pe = 11.593 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2505 + pe = 11.592 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2478 Density (g/cm³) = 1.00876 Volume (L) = 1.00803 - Viscosity (mPa s) = 0.44987 + Viscosity (mPa s) = 0.45530 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.061e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.554e-16 + Total alkalinity (eq/kg) = 2.488e-12 Total CO2 (mol/kg) = 3.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.244e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Electrical balance (eq) = -2.417e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.624622e+01 @@ -3542,7 +3505,7 @@ Reaction 1. OH- 4.082e-10 3.646e-10 -9.389 -9.438 -0.049 -5.31 H2O 5.551e+01 9.935e-01 1.744 -0.003 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.183 -100.182 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.172 -100.171 0.001 38.40 C(4) 3.700e-01 CO2 3.560e-01 3.566e-01 -0.448 -0.448 0.001 35.66 (CO2)2 6.668e-03 6.684e-03 -2.176 -2.175 0.001 71.33 @@ -3552,25 +3515,24 @@ C(4) 3.700e-01 Cl 1.000e-02 Cl- 9.998e-03 8.937e-03 -2.000 -2.049 -0.049 18.27 HCl 1.994e-06 2.015e-06 -5.700 -5.696 0.005 (0) -H(0) 1.123e-33 - H2 5.616e-34 5.630e-34 -33.251 -33.250 0.001 28.34 +H(0) 1.130e-33 + H2 5.652e-34 5.666e-34 -33.248 -33.247 0.001 28.34 Na 1.000e-02 Na+ 9.989e-03 8.957e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.109e-05 1.115e-05 -4.955 -4.953 0.002 31.50 - NaOH 2.997e-22 3.005e-22 -21.523 -21.522 0.001 (0) -O(0) 2.026e-15 - O2 1.013e-15 1.015e-15 -14.994 -14.993 0.001 31.28 +O(0) 2.000e-15 + O2 9.998e-16 1.002e-15 -15.000 -14.999 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.82 -100.18 -3.36 CH4 + CH4(g) -96.81 -100.17 -3.36 CH4 CO2(g) 1.70 -0.45 -2.15 CO2 - H2(g) -29.85 -33.25 -3.40 H2 + H2(g) -29.84 -33.25 -3.40 H2 H2O(g) -0.44 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.62 -14.99 -3.37 O2 + O2(g) -11.63 -15.00 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3608,19 +3570,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.242 Charge balance - pe = 2.244 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2508 + pe = 2.335 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2480 Density (g/cm³) = 1.00884 Volume (L) = 1.00839 - Viscosity (mPa s) = 0.44988 + Viscosity (mPa s) = 0.45544 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.062e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.565e-15 + Total alkalinity (eq/kg) = -6.349e-14 Total CO2 (mol/kg) = 3.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 9.357e-15 + Electrical balance (eq) = 6.178e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -3634,8 +3596,8 @@ Reaction 1. H+ 6.309e-04 5.727e-04 -3.200 -3.242 -0.042 0.00 OH- 4.030e-10 3.599e-10 -9.395 -9.444 -0.049 -5.31 H2O 5.551e+01 9.933e-01 1.744 -0.003 0.000 17.92 -C(-4) 4.664e-26 - CH4 4.664e-26 4.675e-26 -25.331 -25.330 0.001 38.40 +C(-4) 8.610e-27 + CH4 8.610e-27 8.631e-27 -26.065 -26.064 0.001 38.40 C(4) 3.800e-01 CO2 3.653e-01 3.659e-01 -0.437 -0.437 0.001 35.66 (CO2)2 7.020e-03 7.037e-03 -2.154 -2.153 0.001 71.33 @@ -3645,25 +3607,24 @@ C(4) 3.800e-01 Cl 1.000e-02 Cl- 9.998e-03 8.937e-03 -2.000 -2.049 -0.049 18.27 HCl 2.020e-06 2.041e-06 -5.695 -5.690 0.005 (0) -H(0) 5.763e-15 - H2 2.882e-15 2.889e-15 -14.540 -14.539 0.001 28.34 +H(0) 3.778e-15 + H2 1.889e-15 1.893e-15 -14.724 -14.723 0.001 28.34 Na 1.000e-02 Na+ 9.989e-03 8.957e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.123e-05 1.129e-05 -4.949 -4.947 0.002 31.50 - NaOH 2.958e-22 2.966e-22 -21.529 -21.528 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.415 -52.414 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.048 -52.047 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.97 -25.33 -3.36 CH4 + CH4(g) -22.70 -26.06 -3.36 CH4 CO2(g) 1.71 -0.44 -2.15 CO2 - H2(g) -11.14 -14.54 -3.40 H2 + H2(g) -11.32 -14.72 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -49.04 -52.41 -3.37 O2 + O2(g) -48.68 -52.05 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3701,19 +3662,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.237 Charge balance - pe = 11.547 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2511 + pe = 11.538 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2482 Density (g/cm³) = 1.00892 Volume (L) = 1.00875 - Viscosity (mPa s) = 0.44989 + Viscosity (mPa s) = 0.45558 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.063e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.502e-16 + Total alkalinity (eq/kg) = -2.315e-16 Total CO2 (mol/kg) = 3.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.021e-16 + Electrical balance (eq) = 2.836e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -3728,7 +3689,7 @@ Reaction 1. OH- 3.980e-10 3.554e-10 -9.400 -9.449 -0.049 -5.31 H2O 5.551e+01 9.931e-01 1.744 -0.003 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.702 -99.701 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.631 -99.630 0.001 38.40 C(4) 3.900e-01 CO2 3.746e-01 3.752e-01 -0.426 -0.426 0.001 35.66 (CO2)2 7.381e-03 7.399e-03 -2.132 -2.131 0.001 71.33 @@ -3738,25 +3699,24 @@ C(4) 3.900e-01 Cl 1.000e-02 Cl- 9.998e-03 8.937e-03 -2.000 -2.049 -0.049 18.27 HCl 2.045e-06 2.067e-06 -5.689 -5.685 0.005 (0) -H(0) 1.463e-33 - H2 7.313e-34 7.330e-34 -33.136 -33.135 0.001 28.34 +H(0) 1.524e-33 + H2 7.619e-34 7.637e-34 -33.118 -33.117 0.001 28.34 Na 1.000e-02 Na+ 9.989e-03 8.956e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.137e-05 1.143e-05 -4.944 -4.942 0.002 31.50 - NaOH 2.921e-22 2.928e-22 -21.534 -21.533 0.001 (0) -O(0) 1.194e-15 - O2 5.970e-16 5.984e-16 -15.224 -15.223 0.001 31.28 +O(0) 1.100e-15 + O2 5.500e-16 5.513e-16 -15.260 -15.259 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.34 -99.70 -3.36 CH4 + CH4(g) -96.27 -99.63 -3.36 CH4 CO2(g) 1.72 -0.43 -2.15 CO2 - H2(g) -29.73 -33.13 -3.40 H2 + H2(g) -29.71 -33.12 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.85 -15.22 -3.37 O2 + O2(g) -11.89 -15.26 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3794,20 +3754,20 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.231 Charge balance - pe = 2.250 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2513 + pe = 2.252 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2484 Density (g/cm³) = 1.00900 Volume (L) = 1.00910 - Viscosity (mPa s) = 0.44989 + Viscosity (mPa s) = 0.45572 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.064e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.282e-14 + Total alkalinity (eq/kg) = 4.233e-13 Total CO2 (mol/kg) = 4.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.245e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -4.094e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.110124e+02 Total O = 5.630622e+01 @@ -3820,8 +3780,8 @@ Reaction 1. H+ 6.466e-04 5.870e-04 -3.189 -3.231 -0.042 0.00 OH- 3.931e-10 3.511e-10 -9.405 -9.455 -0.049 -5.31 H2O 5.551e+01 9.930e-01 1.744 -0.003 0.000 17.92 -C(-4) 5.252e-26 - CH4 5.252e-26 5.264e-26 -25.280 -25.279 0.001 38.40 +C(-4) 5.086e-26 + CH4 5.086e-26 5.098e-26 -25.294 -25.293 0.001 38.40 C(4) 4.000e-01 CO2 3.839e-01 3.845e-01 -0.416 -0.415 0.001 35.66 (CO2)2 7.750e-03 7.769e-03 -2.111 -2.110 0.001 71.33 @@ -3831,25 +3791,24 @@ C(4) 4.000e-01 Cl 1.000e-02 Cl- 9.998e-03 8.936e-03 -2.000 -2.049 -0.049 18.27 HCl 2.070e-06 2.092e-06 -5.684 -5.680 0.005 (0) -H(0) 5.863e-15 - H2 2.931e-15 2.939e-15 -14.533 -14.532 0.001 28.34 +H(0) 5.816e-15 + H2 2.908e-15 2.915e-15 -14.536 -14.535 0.001 28.34 Na 1.000e-02 Na+ 9.989e-03 8.956e-03 -2.000 -2.048 -0.047 1.45 NaHCO3 1.151e-05 1.157e-05 -4.939 -4.937 0.002 31.50 - NaOH 2.885e-22 2.892e-22 -21.540 -21.539 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.430 -52.429 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.423 -52.422 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.92 -25.28 -3.36 CH4 + CH4(g) -21.93 -25.29 -3.36 CH4 CO2(g) 1.74 -0.42 -2.15 CO2 - H2(g) -11.13 -14.53 -3.40 H2 + H2(g) -11.13 -14.54 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -49.06 -52.43 -3.37 O2 + O2(g) -49.05 -52.42 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3887,21 +3846,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.226 Charge balance - pe = 11.529 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2516 + pe = 11.455 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2486 Density (g/cm³) = 1.00908 Volume (L) = 1.00946 - Viscosity (mPa s) = 0.44990 + Viscosity (mPa s) = 0.45586 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.064e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.988e-13 + Total alkalinity (eq/kg) = -2.797e-16 Total CO2 (mol/kg) = 4.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.939e-13 + Electrical balance (eq) = 3.347e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.632622e+01 @@ -3914,7 +3873,7 @@ Reaction 1. OH- 3.885e-10 3.469e-10 -9.411 -9.460 -0.049 -5.31 H2O 5.551e+01 9.928e-01 1.744 -0.003 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.457 -99.456 0.001 38.40 + CH4 0.000e+00 0.000e+00 -98.867 -98.866 0.001 38.40 C(4) 4.100e-01 CO2 3.931e-01 3.937e-01 -0.406 -0.405 0.001 35.66 (CO2)2 8.128e-03 8.148e-03 -2.090 -2.089 0.001 71.33 @@ -3924,25 +3883,24 @@ C(4) 4.100e-01 Cl 1.000e-02 Cl- 9.998e-03 8.936e-03 -2.000 -2.049 -0.049 18.27 HCl 2.094e-06 2.116e-06 -5.679 -5.674 0.005 (0) -H(0) 1.664e-33 - H2 8.321e-34 8.342e-34 -33.080 -33.079 0.001 28.34 +H(0) 2.337e-33 + H2 1.168e-33 1.171e-33 -32.932 -32.931 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.955e-03 -2.001 -2.048 -0.047 1.45 NaHCO3 1.165e-05 1.171e-05 -4.934 -4.932 0.002 31.50 - NaOH 2.851e-22 2.858e-22 -21.545 -21.544 0.001 (0) -O(0) 9.214e-16 - O2 4.607e-16 4.618e-16 -15.337 -15.336 0.001 31.28 +O(0) 4.673e-16 + O2 2.336e-16 2.342e-16 -15.631 -15.630 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.09 -99.46 -3.36 CH4 + CH4(g) -95.50 -98.87 -3.36 CH4 CO2(g) 1.75 -0.40 -2.15 CO2 - H2(g) -29.67 -33.08 -3.40 H2 + H2(g) -29.53 -32.93 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.96 -15.34 -3.37 O2 + O2(g) -12.26 -15.63 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3980,19 +3938,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.221 Charge balance - pe = 11.678 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2518 + pe = 11.681 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2487 Density (g/cm³) = 1.00916 Volume (L) = 1.00982 - Viscosity (mPa s) = 0.44991 + Viscosity (mPa s) = 0.45600 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.065e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.833e-16 + Total alkalinity (eq/kg) = -3.106e-16 Total CO2 (mol/kg) = 4.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.514e-16 + Electrical balance (eq) = 3.774e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -4007,7 +3965,7 @@ Reaction 1. OH- 3.840e-10 3.429e-10 -9.416 -9.465 -0.049 -5.31 H2O 5.551e+01 9.927e-01 1.744 -0.003 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.597 -100.596 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.624 -100.623 0.001 38.40 C(4) 4.200e-01 CO2 4.023e-01 4.030e-01 -0.395 -0.395 0.001 35.66 (CO2)2 8.514e-03 8.534e-03 -2.070 -2.069 0.001 71.33 @@ -4017,25 +3975,24 @@ C(4) 4.200e-01 Cl 1.000e-02 Cl- 9.998e-03 8.936e-03 -2.000 -2.049 -0.049 18.27 HCl 2.119e-06 2.141e-06 -5.674 -5.669 0.005 (0) -H(0) 8.581e-34 - H2 4.290e-34 4.301e-34 -33.367 -33.366 0.001 28.34 +H(0) 8.451e-34 + H2 4.226e-34 4.236e-34 -33.374 -33.373 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.955e-03 -2.001 -2.048 -0.047 1.45 NaHCO3 1.178e-05 1.184e-05 -4.929 -4.927 0.002 31.50 - NaOH 2.818e-22 2.825e-22 -21.550 -21.549 0.001 (0) -O(0) 3.465e-15 - O2 1.732e-15 1.737e-15 -14.761 -14.760 0.001 31.28 +O(0) 3.572e-15 + O2 1.786e-15 1.790e-15 -14.748 -14.747 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.24 -100.60 -3.36 CH4 + CH4(g) -97.26 -100.62 -3.36 CH4 CO2(g) 1.76 -0.39 -2.15 CO2 - H2(g) -29.96 -33.37 -3.40 H2 + H2(g) -29.97 -33.37 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.39 -14.76 -3.37 O2 + O2(g) -11.38 -14.75 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4073,21 +4030,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.216 Charge balance - pe = 2.619 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2520 + pe = 2.673 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2489 Density (g/cm³) = 1.00924 Volume (L) = 1.01017 - Viscosity (mPa s) = 0.44992 + Viscosity (mPa s) = 0.45614 Activity of water = 0.992 Ionic strength (mol/kgw) = 1.066e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.241e-13 + Total alkalinity (eq/kg) = -4.314e-16 Total CO2 (mol/kg) = 4.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = -2.156e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Electrical balance (eq) = 5.016e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 42 Total H = 1.110124e+02 Total O = 5.636622e+01 @@ -4099,8 +4056,8 @@ Reaction 1. H+ 6.694e-04 6.076e-04 -3.174 -3.216 -0.042 0.00 OH- 3.796e-10 3.390e-10 -9.421 -9.470 -0.049 -5.31 H2O 5.551e+01 9.925e-01 1.744 -0.003 0.000 17.92 -C(-4) 8.307e-29 - CH4 8.307e-29 8.327e-29 -28.081 -28.079 0.001 38.40 +C(-4) 3.083e-29 + CH4 3.083e-29 3.091e-29 -28.511 -28.510 0.001 38.40 C(4) 4.300e-01 CO2 4.115e-01 4.122e-01 -0.386 -0.385 0.001 35.66 (CO2)2 8.908e-03 8.929e-03 -2.050 -2.049 0.001 71.33 @@ -4110,25 +4067,24 @@ C(4) 4.300e-01 Cl 1.000e-02 Cl- 9.998e-03 8.935e-03 -2.000 -2.049 -0.049 18.27 HCl 2.142e-06 2.165e-06 -5.669 -5.665 0.005 (0) -H(0) 1.149e-15 - H2 5.744e-16 5.758e-16 -15.241 -15.240 0.001 28.34 +H(0) 8.966e-16 + H2 4.483e-16 4.494e-16 -15.348 -15.347 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.954e-03 -2.001 -2.048 -0.047 1.45 NaHCO3 1.192e-05 1.197e-05 -4.924 -4.922 0.002 31.50 - NaOH 2.786e-22 2.792e-22 -21.555 -21.554 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.015 -51.014 0.001 31.28 + O2 0.000e+00 0.000e+00 -50.800 -50.799 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -24.72 -28.08 -3.36 CH4 + CH4(g) -25.15 -28.51 -3.36 CH4 CO2(g) 1.77 -0.38 -2.15 CO2 - H2(g) -11.84 -15.24 -3.40 H2 + H2(g) -11.94 -15.35 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -47.64 -51.01 -3.37 O2 + O2(g) -47.43 -50.80 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4166,19 +4122,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.212 Charge balance - pe = 11.659 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2523 + pe = 11.655 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2490 Density (g/cm³) = 1.00932 Volume (L) = 1.01053 - Viscosity (mPa s) = 0.44992 + Viscosity (mPa s) = 0.45628 Activity of water = 0.992 Ionic strength (mol/kgw) = 1.066e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.065e-16 + Total alkalinity (eq/kg) = -3.732e-16 Total CO2 (mol/kg) = 4.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.662e-16 + Electrical balance (eq) = 4.390e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -4193,7 +4149,7 @@ Reaction 1. OH- 3.754e-10 3.352e-10 -9.425 -9.475 -0.049 -5.31 H2O 5.551e+01 9.923e-01 1.744 -0.003 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.346 -100.345 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.321 -100.319 0.001 38.40 C(4) 4.400e-01 CO2 4.207e-01 4.214e-01 -0.376 -0.375 0.001 35.66 (CO2)2 9.310e-03 9.333e-03 -2.031 -2.030 0.001 71.33 @@ -4203,25 +4159,24 @@ C(4) 4.400e-01 Cl 1.000e-02 Cl- 9.998e-03 8.935e-03 -2.000 -2.049 -0.049 18.27 HCl 2.166e-06 2.189e-06 -5.664 -5.660 0.005 (0) -H(0) 9.806e-34 - H2 4.903e-34 4.915e-34 -33.310 -33.308 0.001 28.34 +H(0) 9.949e-34 + H2 4.975e-34 4.987e-34 -33.303 -33.302 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.954e-03 -2.001 -2.048 -0.047 1.45 NaHCO3 1.205e-05 1.211e-05 -4.919 -4.917 0.002 31.50 - NaOH 2.755e-22 2.761e-22 -21.560 -21.559 0.001 (0) -O(0) 2.651e-15 - O2 1.326e-15 1.329e-15 -14.878 -14.877 0.001 31.28 +O(0) 2.576e-15 + O2 1.288e-15 1.291e-15 -14.890 -14.889 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.98 -100.34 -3.36 CH4 + CH4(g) -96.96 -100.32 -3.36 CH4 CO2(g) 1.78 -0.38 -2.15 CO2 - H2(g) -29.90 -33.31 -3.40 H2 + H2(g) -29.90 -33.30 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.51 -14.88 -3.37 O2 + O2(g) -11.52 -14.89 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4259,21 +4214,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.207 Charge balance - pe = 2.433 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2525 + pe = 2.429 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2492 Density (g/cm³) = 1.00940 Volume (L) = 1.01089 - Viscosity (mPa s) = 0.44993 + Viscosity (mPa s) = 0.45642 Activity of water = 0.992 Ionic strength (mol/kgw) = 1.067e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.334e-13 + Total alkalinity (eq/kg) = -1.242e-16 Total CO2 (mol/kg) = 4.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.275e-13 + Electrical balance (eq) = 1.988e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.640622e+01 @@ -4285,8 +4240,8 @@ Reaction 1. H+ 6.841e-04 6.209e-04 -3.165 -3.207 -0.042 0.00 OH- 3.714e-10 3.316e-10 -9.430 -9.479 -0.049 -5.31 H2O 5.551e+01 9.922e-01 1.744 -0.003 0.000 17.92 -C(-4) 3.226e-27 - CH4 3.226e-27 3.234e-27 -26.491 -26.490 0.001 38.40 +C(-4) 3.419e-27 + CH4 3.419e-27 3.428e-27 -26.466 -26.465 0.001 38.40 C(4) 4.500e-01 CO2 4.299e-01 4.306e-01 -0.367 -0.366 0.001 35.66 (CO2)2 9.720e-03 9.744e-03 -2.012 -2.011 0.001 71.33 @@ -4296,25 +4251,24 @@ C(4) 4.500e-01 Cl 1.000e-02 Cl- 9.998e-03 8.935e-03 -2.000 -2.049 -0.049 18.27 HCl 2.189e-06 2.212e-06 -5.660 -5.655 0.005 (0) -H(0) 2.836e-15 - H2 1.418e-15 1.421e-15 -14.848 -14.847 0.001 28.34 +H(0) 2.878e-15 + H2 1.439e-15 1.442e-15 -14.842 -14.841 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.954e-03 -2.001 -2.048 -0.047 1.45 NaHCO3 1.218e-05 1.224e-05 -4.915 -4.912 0.002 31.50 - NaOH 2.725e-22 2.731e-22 -21.565 -21.564 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.800 -51.799 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.813 -51.812 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.13 -26.49 -3.36 CH4 + CH4(g) -23.10 -26.46 -3.36 CH4 CO2(g) 1.78 -0.37 -2.15 CO2 - H2(g) -11.44 -14.85 -3.40 H2 + H2(g) -11.44 -14.84 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.43 -51.80 -3.37 O2 + O2(g) -48.44 -51.81 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4352,19 +4306,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.202 Charge balance - pe = 11.614 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2527 + pe = 11.625 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2493 Density (g/cm³) = 1.00948 Volume (L) = 1.01124 - Viscosity (mPa s) = 0.44994 + Viscosity (mPa s) = 0.45656 Activity of water = 0.992 Ionic strength (mol/kgw) = 1.068e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.366e-16 + Total alkalinity (eq/kg) = -1.560e-14 Total CO2 (mol/kg) = 4.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 8.819e-16 + Electrical balance (eq) = 1.521e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -4379,7 +4333,7 @@ Reaction 1. OH- 3.675e-10 3.281e-10 -9.435 -9.484 -0.049 -5.31 H2O 5.551e+01 9.920e-01 1.744 -0.003 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.897 -99.896 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.986 -99.985 0.001 38.40 C(4) 4.600e-01 CO2 4.390e-01 4.397e-01 -0.358 -0.357 0.001 35.66 (CO2)2 1.014e-02 1.016e-02 -1.994 -1.993 0.001 71.33 @@ -4389,25 +4343,24 @@ C(4) 4.600e-01 Cl 1.000e-02 Cl- 9.998e-03 8.934e-03 -2.000 -2.049 -0.049 18.27 HCl 2.212e-06 2.235e-06 -5.655 -5.651 0.005 (0) -H(0) 1.256e-33 - H2 6.280e-34 6.295e-34 -33.202 -33.201 0.001 28.34 +H(0) 1.193e-33 + H2 5.966e-34 5.981e-34 -33.224 -33.223 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.953e-03 -2.001 -2.048 -0.047 1.45 NaHCO3 1.230e-05 1.236e-05 -4.910 -4.908 0.002 31.50 - NaOH 2.696e-22 2.703e-22 -21.569 -21.568 0.001 (0) -O(0) 1.615e-15 - O2 8.076e-16 8.096e-16 -15.093 -15.092 0.001 31.28 +O(0) 1.790e-15 + O2 8.948e-16 8.970e-16 -15.048 -15.047 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.53 -99.90 -3.36 CH4 + CH4(g) -96.62 -99.98 -3.36 CH4 CO2(g) 1.79 -0.36 -2.15 CO2 - H2(g) -29.80 -33.20 -3.40 H2 + H2(g) -29.82 -33.22 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.72 -15.09 -3.37 O2 + O2(g) -11.68 -15.05 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4445,21 +4398,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.198 Charge balance - pe = 2.346 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2529 + pe = 2.353 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2495 Density (g/cm³) = 1.00956 Volume (L) = 1.01160 - Viscosity (mPa s) = 0.44994 + Viscosity (mPa s) = 0.45670 Activity of water = 0.992 Ionic strength (mol/kgw) = 1.069e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.391e-16 + Total alkalinity (eq/kg) = 1.918e-13 Total CO2 (mol/kg) = 4.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.024e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Electrical balance (eq) = -1.838e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.644622e+01 @@ -4471,8 +4424,8 @@ Reaction 1. H+ 6.984e-04 6.339e-04 -3.156 -3.198 -0.042 0.00 OH- 3.637e-10 3.247e-10 -9.439 -9.489 -0.049 -5.31 H2O 5.551e+01 9.918e-01 1.744 -0.004 0.000 17.92 -C(-4) 1.952e-26 - CH4 1.952e-26 1.957e-26 -25.709 -25.708 0.001 38.40 +C(-4) 1.706e-26 + CH4 1.706e-26 1.710e-26 -25.768 -25.767 0.001 38.40 C(4) 4.700e-01 CO2 4.482e-01 4.489e-01 -0.349 -0.348 0.001 35.66 (CO2)2 1.057e-02 1.059e-02 -1.976 -1.975 0.001 71.33 @@ -4482,25 +4435,24 @@ C(4) 4.700e-01 Cl 1.000e-02 Cl- 9.998e-03 8.934e-03 -2.000 -2.049 -0.049 18.27 HCl 2.235e-06 2.258e-06 -5.651 -5.646 0.005 (0) -H(0) 4.401e-15 - H2 2.201e-15 2.206e-15 -14.657 -14.656 0.001 28.34 +H(0) 4.255e-15 + H2 2.128e-15 2.133e-15 -14.672 -14.671 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.953e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.243e-05 1.249e-05 -4.906 -4.903 0.002 31.50 - NaOH 2.668e-22 2.674e-22 -21.574 -21.573 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.182 -52.181 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.153 -52.152 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.35 -25.71 -3.36 CH4 + CH4(g) -22.41 -25.77 -3.36 CH4 CO2(g) 1.80 -0.35 -2.15 CO2 - H2(g) -11.25 -14.66 -3.40 H2 + H2(g) -11.27 -14.67 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.81 -52.18 -3.37 O2 + O2(g) -48.78 -52.15 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4538,21 +4490,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.194 Charge balance - pe = 11.562 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2531 + pe = 11.558 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2496 Density (g/cm³) = 1.00964 Volume (L) = 1.01195 - Viscosity (mPa s) = 0.44995 + Viscosity (mPa s) = 0.45684 Activity of water = 0.992 Ionic strength (mol/kgw) = 1.069e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.543e-16 + Total alkalinity (eq/kg) = -1.083e-15 Total CO2 (mol/kg) = 4.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 9.004e-16 + Electrical balance (eq) = 1.126e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.646622e+01 @@ -4565,7 +4517,7 @@ Reaction 1. OH- 3.600e-10 3.214e-10 -9.444 -9.493 -0.049 -5.31 H2O 5.551e+01 9.917e-01 1.744 -0.004 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.390 -99.389 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.362 -99.361 0.001 38.40 C(4) 4.800e-01 CO2 4.573e-01 4.580e-01 -0.340 -0.339 0.001 35.66 (CO2)2 1.100e-02 1.103e-02 -1.959 -1.958 0.001 71.33 @@ -4575,25 +4527,24 @@ C(4) 4.800e-01 Cl 1.000e-02 Cl- 9.998e-03 8.934e-03 -2.000 -2.049 -0.049 18.27 HCl 2.257e-06 2.281e-06 -5.646 -5.642 0.005 (0) -H(0) 1.664e-33 - H2 8.322e-34 8.343e-34 -33.080 -33.079 0.001 28.34 +H(0) 1.691e-33 + H2 8.455e-34 8.476e-34 -33.073 -33.072 0.001 28.34 Na 1.000e-02 Na+ 9.988e-03 8.953e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.255e-05 1.262e-05 -4.901 -4.899 0.002 31.50 - NaOH 2.641e-22 2.647e-22 -21.578 -21.577 0.001 (0) -O(0) 9.190e-16 - O2 4.595e-16 4.607e-16 -15.338 -15.337 0.001 31.28 +O(0) 8.904e-16 + O2 4.452e-16 4.463e-16 -15.351 -15.350 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.03 -99.39 -3.36 CH4 + CH4(g) -96.00 -99.36 -3.36 CH4 CO2(g) 1.81 -0.34 -2.15 CO2 - H2(g) -29.67 -33.08 -3.40 H2 + H2(g) -29.67 -33.07 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.97 -15.34 -3.37 O2 + O2(g) -11.98 -15.35 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4631,19 +4582,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.189 Charge balance - pe = 2.270 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2533 + pe = 2.284 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2497 Density (g/cm³) = 1.00972 Volume (L) = 1.01231 - Viscosity (mPa s) = 0.44996 + Viscosity (mPa s) = 0.45697 Activity of water = 0.992 Ionic strength (mol/kgw) = 1.070e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.579e-16 + Total alkalinity (eq/kg) = -3.288e-15 Total CO2 (mol/kg) = 4.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 7.049e-16 + Electrical balance (eq) = 3.272e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 16 Total H = 1.110124e+02 @@ -4657,8 +4608,8 @@ Reaction 1. H+ 7.124e-04 6.466e-04 -3.147 -3.189 -0.042 0.00 OH- 3.565e-10 3.182e-10 -9.448 -9.497 -0.049 -5.31 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 17.92 -C(-4) 9.674e-26 - CH4 9.674e-26 9.698e-26 -25.014 -25.013 0.001 38.40 +C(-4) 7.526e-26 + CH4 7.526e-26 7.544e-26 -25.123 -25.122 0.001 38.40 C(4) 4.900e-01 CO2 4.664e-01 4.672e-01 -0.331 -0.331 0.001 35.66 (CO2)2 1.144e-02 1.147e-02 -1.941 -1.940 0.001 71.33 @@ -4668,25 +4619,24 @@ C(4) 4.900e-01 Cl 1.000e-02 Cl- 9.998e-03 8.933e-03 -2.000 -2.049 -0.049 18.27 HCl 2.279e-06 2.303e-06 -5.642 -5.638 0.005 (0) -H(0) 6.501e-15 - H2 3.250e-15 3.258e-15 -14.488 -14.487 0.001 28.34 +H(0) 6.105e-15 + H2 3.052e-15 3.060e-15 -14.515 -14.514 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.952e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.268e-05 1.274e-05 -4.897 -4.895 0.002 31.50 - NaOH 2.615e-22 2.621e-22 -21.583 -21.582 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.521 -52.520 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.467 -52.466 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.65 -25.01 -3.36 CH4 + CH4(g) -21.76 -25.12 -3.36 CH4 CO2(g) 1.82 -0.33 -2.15 CO2 - H2(g) -11.08 -14.49 -3.40 H2 + H2(g) -11.11 -14.51 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -49.15 -52.52 -3.37 O2 + O2(g) -49.09 -52.47 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4724,21 +4674,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.185 Charge balance - pe = 11.082 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2535 + pe = 3.321 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2498 Density (g/cm³) = 1.00980 Volume (L) = 1.01267 - Viscosity (mPa s) = 0.44996 + Viscosity (mPa s) = 0.45711 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.071e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.406e-15 + Total alkalinity (eq/kg) = -1.889e-14 Total CO2 (mol/kg) = 5.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.443e-15 + Electrical balance (eq) = 1.840e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.650622e+01 @@ -4750,8 +4700,8 @@ Reaction 1. H+ 7.193e-04 6.528e-04 -3.143 -3.185 -0.042 0.00 OH- 3.530e-10 3.152e-10 -9.452 -9.501 -0.049 -5.31 H2O 5.551e+01 9.914e-01 1.744 -0.004 0.000 17.92 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -95.466 -95.465 0.001 38.40 +C(-4) 4.185e-34 + CH4 4.185e-34 4.195e-34 -33.378 -33.377 0.001 38.40 C(4) 5.000e-01 CO2 4.755e-01 4.763e-01 -0.323 -0.322 0.001 35.66 (CO2)2 1.189e-02 1.192e-02 -1.925 -1.924 0.001 71.33 @@ -4761,25 +4711,24 @@ C(4) 5.000e-01 Cl 1.000e-02 Cl- 9.998e-03 8.933e-03 -2.000 -2.049 -0.049 18.27 HCl 2.301e-06 2.325e-06 -5.638 -5.634 0.005 (0) -H(0) 1.578e-32 - H2 7.888e-33 7.907e-33 -32.103 -32.102 0.001 28.34 +H(0) 5.246e-17 + H2 2.623e-17 2.630e-17 -16.581 -16.580 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.952e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.280e-05 1.286e-05 -4.893 -4.891 0.002 31.50 - NaOH 2.589e-22 2.596e-22 -21.587 -21.586 0.001 (0) -O(0) 1.022e-17 - O2 5.112e-18 5.125e-18 -17.291 -17.290 0.001 31.28 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -48.335 -48.334 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -92.10 -95.46 -3.36 CH4 + CH4(g) -30.02 -33.38 -3.36 CH4 CO2(g) 1.83 -0.32 -2.15 CO2 - H2(g) -28.70 -32.10 -3.40 H2 + H2(g) -13.18 -16.58 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -13.92 -17.29 -3.37 O2 + O2(g) -44.96 -48.33 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4817,19 +4766,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.181 Charge balance - pe = 11.710 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2537 + pe = 11.711 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2500 Density (g/cm³) = 1.00988 Volume (L) = 1.01302 - Viscosity (mPa s) = 0.44997 + Viscosity (mPa s) = 0.45725 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.071e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.129e-15 + Total alkalinity (eq/kg) = -1.048e-15 Total CO2 (mol/kg) = 5.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.163e-15 + Electrical balance (eq) = 1.073e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -4844,7 +4793,7 @@ Reaction 1. OH- 3.497e-10 3.122e-10 -9.456 -9.506 -0.049 -5.31 H2O 5.551e+01 9.912e-01 1.744 -0.004 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.451 -100.450 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.458 -100.457 0.001 38.40 C(4) 5.100e-01 CO2 4.846e-01 4.854e-01 -0.315 -0.314 0.001 35.66 (CO2)2 1.235e-02 1.238e-02 -1.908 -1.907 0.001 71.33 @@ -4854,20 +4803,19 @@ C(4) 5.100e-01 Cl 1.000e-02 Cl- 9.998e-03 8.933e-03 -2.000 -2.049 -0.049 18.27 HCl 2.323e-06 2.347e-06 -5.634 -5.629 0.005 (0) -H(0) 8.903e-34 - H2 4.451e-34 4.462e-34 -33.352 -33.350 0.001 28.34 +H(0) 8.869e-34 + H2 4.435e-34 4.445e-34 -33.353 -33.352 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.951e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.292e-05 1.298e-05 -4.889 -4.887 0.002 31.50 - NaOH 2.564e-22 2.571e-22 -21.591 -21.590 0.001 (0) -O(0) 3.209e-15 - O2 1.605e-15 1.609e-15 -14.795 -14.794 0.001 31.28 +O(0) 3.234e-15 + O2 1.617e-15 1.621e-15 -14.791 -14.790 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.09 -100.45 -3.36 CH4 + CH4(g) -97.10 -100.46 -3.36 CH4 CO2(g) 1.84 -0.31 -2.15 CO2 H2(g) -29.95 -33.35 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O @@ -4910,21 +4858,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.177 Charge balance - pe = 2.489 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2539 + pe = 2.564 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2501 Density (g/cm³) = 1.00996 Volume (L) = 1.01338 - Viscosity (mPa s) = 0.44997 + Viscosity (mPa s) = 0.45739 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.072e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.497e-13 + Total alkalinity (eq/kg) = -1.594e-15 Total CO2 (mol/kg) = 5.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.456e-13 + Electrical balance (eq) = 1.611e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.654622e+01 @@ -4936,8 +4884,8 @@ Reaction 1. H+ 7.328e-04 6.650e-04 -3.135 -3.177 -0.042 0.00 OH- 3.464e-10 3.093e-10 -9.460 -9.510 -0.049 -5.31 H2O 5.551e+01 9.910e-01 1.744 -0.004 0.000 17.92 -C(-4) 2.275e-27 - CH4 2.275e-27 2.280e-27 -26.643 -26.642 0.001 38.40 +C(-4) 5.712e-28 + CH4 5.712e-28 5.726e-28 -27.243 -27.242 0.001 38.40 C(4) 5.200e-01 CO2 4.936e-01 4.944e-01 -0.307 -0.306 0.001 35.66 (CO2)2 1.282e-02 1.285e-02 -1.892 -1.891 0.001 71.33 @@ -4947,25 +4895,24 @@ C(4) 5.200e-01 Cl 1.000e-02 Cl- 9.998e-03 8.932e-03 -2.000 -2.049 -0.049 18.27 HCl 2.344e-06 2.369e-06 -5.630 -5.625 0.005 (0) -H(0) 2.509e-15 - H2 1.255e-15 1.258e-15 -14.902 -14.900 0.001 28.34 +H(0) 1.776e-15 + H2 8.881e-16 8.903e-16 -15.052 -15.050 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.951e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.304e-05 1.310e-05 -4.885 -4.883 0.002 31.50 - NaOH 2.540e-22 2.547e-22 -21.595 -21.594 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.695 -51.694 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.395 -51.394 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.28 -26.64 -3.36 CH4 + CH4(g) -23.88 -27.24 -3.36 CH4 CO2(g) 1.84 -0.31 -2.15 CO2 - H2(g) -11.50 -14.90 -3.40 H2 + H2(g) -11.65 -15.05 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.32 -51.69 -3.37 O2 + O2(g) -48.02 -51.39 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5003,21 +4950,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.173 Charge balance - pe = 11.664 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2541 + pe = 11.660 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2502 Density (g/cm³) = 1.01004 Volume (L) = 1.01374 - Viscosity (mPa s) = 0.44998 + Viscosity (mPa s) = 0.45752 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.073e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.641e-16 + Total alkalinity (eq/kg) = -2.290e-15 Total CO2 (mol/kg) = 5.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 7.149e-16 + Electrical balance (eq) = 2.299e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.656622e+01 @@ -5030,7 +4977,7 @@ Reaction 1. OH- 3.433e-10 3.064e-10 -9.464 -9.514 -0.049 -5.31 H2O 5.551e+01 9.909e-01 1.744 -0.004 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.002 -100.001 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.976 -99.975 0.001 38.40 C(4) 5.300e-01 CO2 5.027e-01 5.035e-01 -0.299 -0.298 0.001 35.66 (CO2)2 1.329e-02 1.332e-02 -1.876 -1.875 0.001 71.33 @@ -5040,25 +4987,24 @@ C(4) 5.300e-01 Cl 1.000e-02 Cl- 9.998e-03 8.932e-03 -2.000 -2.049 -0.049 18.27 HCl 2.365e-06 2.390e-06 -5.626 -5.622 0.005 (0) -H(0) 1.142e-33 - H2 5.710e-34 5.725e-34 -33.243 -33.242 0.001 28.34 +H(0) 1.160e-33 + H2 5.798e-34 5.812e-34 -33.237 -33.236 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.951e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.315e-05 1.322e-05 -4.881 -4.879 0.002 31.50 - NaOH 2.517e-22 2.523e-22 -21.599 -21.598 0.001 (0) -O(0) 1.949e-15 - O2 9.744e-16 9.768e-16 -15.011 -15.010 0.001 31.28 +O(0) 1.890e-15 + O2 9.452e-16 9.475e-16 -15.024 -15.023 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.64 -100.00 -3.36 CH4 + CH4(g) -96.61 -99.97 -3.36 CH4 CO2(g) 1.85 -0.30 -2.15 CO2 - H2(g) -29.84 -33.24 -3.40 H2 + H2(g) -29.83 -33.24 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.64 -15.01 -3.37 O2 + O2(g) -11.65 -15.02 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5096,19 +5042,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.169 Charge balance - pe = 2.424 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2543 + pe = 2.415 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2503 Density (g/cm³) = 1.01011 Volume (L) = 1.01409 - Viscosity (mPa s) = 0.44999 + Viscosity (mPa s) = 0.45766 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.073e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.390e-13 + Total alkalinity (eq/kg) = -2.332e-15 Total CO2 (mol/kg) = 5.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.347e-13 + Electrical balance (eq) = 2.325e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -5122,8 +5068,8 @@ Reaction 1. H+ 7.460e-04 6.770e-04 -3.127 -3.169 -0.042 0.00 OH- 3.402e-10 3.037e-10 -9.468 -9.518 -0.049 -5.31 H2O 5.551e+01 9.907e-01 1.744 -0.004 0.000 17.92 -C(-4) 9.080e-27 - CH4 9.080e-27 9.102e-27 -26.042 -26.041 0.001 38.40 +C(-4) 1.060e-26 + CH4 1.060e-26 1.063e-26 -25.975 -25.974 0.001 38.40 C(4) 5.400e-01 CO2 5.117e-01 5.125e-01 -0.291 -0.290 0.001 35.66 (CO2)2 1.377e-02 1.381e-02 -1.861 -1.860 0.001 71.33 @@ -5133,25 +5079,24 @@ C(4) 5.400e-01 Cl 1.000e-02 Cl- 9.998e-03 8.932e-03 -2.000 -2.049 -0.049 18.27 HCl 2.386e-06 2.411e-06 -5.622 -5.618 0.005 (0) -H(0) 3.514e-15 - H2 1.757e-15 1.761e-15 -14.755 -14.754 0.001 28.34 +H(0) 3.653e-15 + H2 1.826e-15 1.831e-15 -14.738 -14.737 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.950e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.327e-05 1.333e-05 -4.877 -4.875 0.002 31.50 - NaOH 2.495e-22 2.501e-22 -21.603 -21.602 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.988 -51.987 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.021 -52.020 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.68 -26.04 -3.36 CH4 + CH4(g) -22.61 -25.97 -3.36 CH4 CO2(g) 1.86 -0.29 -2.15 CO2 - H2(g) -11.35 -14.75 -3.40 H2 + H2(g) -11.33 -14.74 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.62 -51.99 -3.37 O2 + O2(g) -48.65 -52.02 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5189,21 +5134,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.166 Charge balance - pe = 11.627 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2544 + pe = 11.633 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2504 Density (g/cm³) = 1.01019 Volume (L) = 1.01445 - Viscosity (mPa s) = 0.44999 + Viscosity (mPa s) = 0.45780 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.074e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.942e-15 + Total alkalinity (eq/kg) = -2.267e-16 Total CO2 (mol/kg) = 5.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.938e-15 + Electrical balance (eq) = 2.957e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.660622e+01 @@ -5216,7 +5161,7 @@ Reaction 1. OH- 3.373e-10 3.010e-10 -9.472 -9.521 -0.049 -5.31 H2O 5.551e+01 9.905e-01 1.744 -0.004 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.632 -99.631 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.677 -99.676 0.001 38.40 C(4) 5.500e-01 CO2 5.207e-01 5.216e-01 -0.283 -0.283 0.001 35.66 (CO2)2 1.426e-02 1.430e-02 -1.846 -1.845 0.001 71.33 @@ -5226,25 +5171,24 @@ C(4) 5.500e-01 Cl 1.000e-02 Cl- 9.998e-03 8.932e-03 -2.000 -2.049 -0.049 18.27 HCl 2.407e-06 2.432e-06 -5.619 -5.614 0.005 (0) -H(0) 1.401e-33 - H2 7.003e-34 7.021e-34 -33.155 -33.154 0.001 28.34 +H(0) 1.365e-33 + H2 6.824e-34 6.841e-34 -33.166 -33.165 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.950e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.338e-05 1.345e-05 -4.873 -4.871 0.002 31.50 - NaOH 2.473e-22 2.479e-22 -21.607 -21.606 0.001 (0) -O(0) 1.295e-15 - O2 6.474e-16 6.490e-16 -15.189 -15.188 0.001 31.28 +O(0) 1.364e-15 + O2 6.819e-16 6.836e-16 -15.166 -15.165 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.27 -99.63 -3.36 CH4 + CH4(g) -96.32 -99.68 -3.36 CH4 CO2(g) 1.87 -0.28 -2.15 CO2 - H2(g) -29.75 -33.15 -3.40 H2 + H2(g) -29.76 -33.16 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.82 -15.19 -3.37 O2 + O2(g) -11.79 -15.17 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5282,19 +5226,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.162 Charge balance - pe = 2.353 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2546 + pe = 2.349 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2505 Density (g/cm³) = 1.01027 Volume (L) = 1.01481 - Viscosity (mPa s) = 0.45000 + Viscosity (mPa s) = 0.45793 Activity of water = 0.990 Ionic strength (mol/kgw) = 1.075e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.438e-15 + Total alkalinity (eq/kg) = -1.226e-15 Total CO2 (mol/kg) = 5.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.467e-15 + Electrical balance (eq) = 1.271e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 16 Total H = 1.110124e+02 @@ -5308,8 +5252,8 @@ Reaction 1. H+ 7.589e-04 6.887e-04 -3.120 -3.162 -0.042 0.00 OH- 3.344e-10 2.984e-10 -9.476 -9.525 -0.049 -5.31 H2O 5.551e+01 9.904e-01 1.744 -0.004 0.000 17.92 -C(-4) 3.967e-26 - CH4 3.967e-26 3.977e-26 -25.401 -25.400 0.001 38.40 +C(-4) 4.250e-26 + CH4 4.250e-26 4.261e-26 -25.372 -25.371 0.001 38.40 C(4) 5.600e-01 CO2 5.297e-01 5.306e-01 -0.276 -0.275 0.001 35.66 (CO2)2 1.476e-02 1.480e-02 -1.831 -1.830 0.001 71.33 @@ -5319,25 +5263,24 @@ C(4) 5.600e-01 Cl 1.000e-02 Cl- 9.998e-03 8.931e-03 -2.000 -2.049 -0.049 18.27 HCl 2.427e-06 2.453e-06 -5.615 -5.610 0.005 (0) -H(0) 5.036e-15 - H2 2.518e-15 2.524e-15 -14.599 -14.598 0.001 28.34 +H(0) 5.124e-15 + H2 2.562e-15 2.568e-15 -14.591 -14.590 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.950e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.350e-05 1.356e-05 -4.870 -4.868 0.002 31.50 - NaOH 2.451e-22 2.457e-22 -21.611 -21.610 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.301 -52.299 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.315 -52.314 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.04 -25.40 -3.36 CH4 + CH4(g) -22.01 -25.37 -3.36 CH4 CO2(g) 1.88 -0.28 -2.15 CO2 - H2(g) -11.19 -14.60 -3.40 H2 + H2(g) -11.19 -14.59 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.93 -52.30 -3.37 O2 + O2(g) -48.94 -52.31 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5375,21 +5318,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.158 Charge balance - pe = 11.550 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2548 + pe = 11.605 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2506 Density (g/cm³) = 1.01035 Volume (L) = 1.01516 - Viscosity (mPa s) = 0.45000 + Viscosity (mPa s) = 0.45807 Activity of water = 0.990 Ionic strength (mol/kgw) = 1.075e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.281e-15 + Total alkalinity (eq/kg) = -3.606e-15 Total CO2 (mol/kg) = 5.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.307e-15 + Electrical balance (eq) = 3.574e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.664622e+01 @@ -5402,7 +5345,7 @@ Reaction 1. OH- 3.315e-10 2.959e-10 -9.479 -9.529 -0.049 -5.31 H2O 5.551e+01 9.902e-01 1.744 -0.004 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -98.946 -98.945 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.384 -99.383 0.001 38.40 C(4) 5.700e-01 CO2 5.387e-01 5.396e-01 -0.269 -0.268 0.001 35.66 (CO2)2 1.526e-02 1.530e-02 -1.816 -1.815 0.001 71.33 @@ -5412,25 +5355,24 @@ C(4) 5.700e-01 Cl 1.000e-02 Cl- 9.998e-03 8.931e-03 -2.000 -2.049 -0.049 18.27 HCl 2.447e-06 2.473e-06 -5.611 -5.607 0.005 (0) -H(0) 2.061e-33 - H2 1.030e-33 1.033e-33 -32.987 -32.986 0.001 28.34 +H(0) 1.602e-33 + H2 8.009e-34 8.029e-34 -33.096 -33.095 0.001 28.34 Na 1.000e-02 Na+ 9.987e-03 8.949e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.361e-05 1.368e-05 -4.866 -4.864 0.002 31.50 - NaOH 2.430e-22 2.436e-22 -21.614 -21.613 0.001 (0) -O(0) 5.978e-16 - O2 2.989e-16 2.996e-16 -15.524 -15.523 0.001 31.28 +O(0) 9.893e-16 + O2 4.947e-16 4.959e-16 -15.306 -15.305 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -95.58 -98.95 -3.36 CH4 + CH4(g) -96.02 -99.38 -3.36 CH4 CO2(g) 1.88 -0.27 -2.15 CO2 - H2(g) -29.58 -32.99 -3.40 H2 + H2(g) -29.69 -33.10 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -12.15 -15.52 -3.37 O2 + O2(g) -11.93 -15.30 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5468,19 +5410,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.155 Charge balance - pe = 2.277 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2549 + pe = 2.288 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2506 Density (g/cm³) = 1.01043 Volume (L) = 1.01552 - Viscosity (mPa s) = 0.45001 + Viscosity (mPa s) = 0.45821 Activity of water = 0.990 Ionic strength (mol/kgw) = 1.076e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.986e-13 + Total alkalinity (eq/kg) = -1.481e-15 Total CO2 (mol/kg) = 5.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.890e-13 + Electrical balance (eq) = 1.502e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 16 Total H = 1.110124e+02 @@ -5494,8 +5436,8 @@ Reaction 1. H+ 7.716e-04 7.001e-04 -3.113 -3.155 -0.042 0.00 OH- 3.288e-10 2.935e-10 -9.483 -9.532 -0.049 -5.31 H2O 5.551e+01 9.901e-01 1.744 -0.004 0.000 17.92 -C(-4) 1.899e-25 - CH4 1.899e-25 1.903e-25 -24.722 -24.720 0.001 38.40 +C(-4) 1.560e-25 + CH4 1.560e-25 1.564e-25 -24.807 -24.806 0.001 38.40 C(4) 5.800e-01 CO2 5.477e-01 5.486e-01 -0.261 -0.261 0.001 35.66 (CO2)2 1.578e-02 1.582e-02 -1.802 -1.801 0.001 71.33 @@ -5505,25 +5447,24 @@ C(4) 5.800e-01 Cl 1.000e-02 Cl- 9.998e-03 8.931e-03 -2.000 -2.049 -0.049 18.27 HCl 2.467e-06 2.493e-06 -5.608 -5.603 0.005 (0) -H(0) 7.386e-15 - H2 3.693e-15 3.702e-15 -14.433 -14.432 0.001 28.34 +H(0) 7.032e-15 + H2 3.516e-15 3.525e-15 -14.454 -14.453 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.949e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.372e-05 1.379e-05 -4.863 -4.860 0.002 31.50 - NaOH 2.410e-22 2.416e-22 -21.618 -21.617 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.633 -52.632 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.591 -52.590 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.36 -24.72 -3.36 CH4 + CH4(g) -21.44 -24.81 -3.36 CH4 CO2(g) 1.89 -0.26 -2.15 CO2 - H2(g) -11.03 -14.43 -3.40 H2 + H2(g) -11.05 -14.45 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -49.26 -52.63 -3.37 O2 + O2(g) -49.22 -52.59 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5561,21 +5502,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.151 Charge balance - pe = 11.779 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2551 + pe = 2.701 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2507 Density (g/cm³) = 1.01051 Volume (L) = 1.01588 - Viscosity (mPa s) = 0.45002 + Viscosity (mPa s) = 0.45834 Activity of water = 0.990 Ionic strength (mol/kgw) = 1.076e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.037e-15 + Total alkalinity (eq/kg) = -3.880e-14 Total CO2 (mol/kg) = 5.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.072e-15 + Electrical balance (eq) = 3.775e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 43 + Iterations = 39 Total H = 1.110124e+02 Total O = 5.668622e+01 @@ -5587,8 +5528,8 @@ Reaction 1. H+ 7.778e-04 7.058e-04 -3.109 -3.151 -0.042 0.00 OH- 3.261e-10 2.911e-10 -9.487 -9.536 -0.049 -5.31 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 17.92 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.701 -100.700 0.001 38.40 +C(-4) 8.313e-29 + CH4 8.313e-29 8.334e-29 -28.080 -28.079 0.001 38.40 C(4) 5.900e-01 CO2 5.566e-01 5.575e-01 -0.254 -0.254 0.001 35.66 (CO2)2 1.630e-02 1.634e-02 -1.788 -1.787 0.001 71.33 @@ -5598,25 +5539,24 @@ C(4) 5.900e-01 Cl 1.000e-02 Cl- 9.998e-03 8.931e-03 -2.000 -2.049 -0.049 18.27 HCl 2.487e-06 2.513e-06 -5.604 -5.600 0.005 (0) -H(0) 7.442e-34 - H2 3.721e-34 3.730e-34 -33.429 -33.428 0.001 28.34 +H(0) 1.064e-15 + H2 5.320e-16 5.333e-16 -15.274 -15.273 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.949e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.383e-05 1.390e-05 -4.859 -4.857 0.002 31.50 - NaOH 2.390e-22 2.396e-22 -21.622 -21.620 0.001 (0) -O(0) 4.581e-15 - O2 2.290e-15 2.296e-15 -14.640 -14.639 0.001 31.28 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -50.951 -50.950 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.34 -100.70 -3.36 CH4 + CH4(g) -24.72 -28.08 -3.36 CH4 CO2(g) 1.90 -0.25 -2.15 CO2 - H2(g) -30.02 -33.43 -3.40 H2 + H2(g) -11.87 -15.27 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.27 -14.64 -3.37 O2 + O2(g) -47.58 -50.95 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5654,19 +5594,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.148 Charge balance - pe = 11.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2552 + pe = 11.727 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2508 Density (g/cm³) = 1.01059 Volume (L) = 1.01623 - Viscosity (mPa s) = 0.45002 + Viscosity (mPa s) = 0.45848 Activity of water = 0.990 Ionic strength (mol/kgw) = 1.077e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.908e-15 + Total alkalinity (eq/kg) = -2.805e-15 Total CO2 (mol/kg) = 6.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.886e-15 + Electrical balance (eq) = 2.784e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -5681,7 +5621,7 @@ Reaction 1. OH- 3.235e-10 2.887e-10 -9.490 -9.540 -0.049 -5.31 H2O 5.551e+01 9.897e-01 1.744 -0.004 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.306 -100.305 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.250 -100.249 0.001 38.40 C(4) 6.000e-01 CO2 5.656e-01 5.665e-01 -0.248 -0.247 0.001 35.66 (CO2)2 1.683e-02 1.687e-02 -1.774 -1.773 0.001 71.33 @@ -5691,25 +5631,24 @@ C(4) 6.000e-01 Cl 1.000e-02 Cl- 9.998e-03 8.930e-03 -2.000 -2.049 -0.049 18.27 HCl 2.507e-06 2.533e-06 -5.601 -5.596 0.005 (0) -H(0) 9.303e-34 - H2 4.651e-34 4.663e-34 -33.332 -33.331 0.001 28.34 +H(0) 9.609e-34 + H2 4.804e-34 4.816e-34 -33.318 -33.317 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.948e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.394e-05 1.401e-05 -4.856 -4.854 0.002 31.50 - NaOH 2.371e-22 2.377e-22 -21.625 -21.624 0.001 (0) -O(0) 2.930e-15 - O2 1.465e-15 1.469e-15 -14.834 -14.833 0.001 31.28 +O(0) 2.747e-15 + O2 1.373e-15 1.377e-15 -14.862 -14.861 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.94 -100.31 -3.36 CH4 + CH4(g) -96.89 -100.25 -3.36 CH4 CO2(g) 1.90 -0.25 -2.15 CO2 - H2(g) -29.93 -33.33 -3.40 H2 + H2(g) -29.91 -33.32 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.46 -14.83 -3.37 O2 + O2(g) -11.49 -14.86 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5747,21 +5686,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.145 Charge balance - pe = 2.571 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2554 + pe = 2.527 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2509 Density (g/cm³) = 1.01067 Volume (L) = 1.01659 - Viscosity (mPa s) = 0.45003 + Viscosity (mPa s) = 0.45861 Activity of water = 0.990 Ionic strength (mol/kgw) = 1.078e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.022e-15 + Total alkalinity (eq/kg) = -2.161e-15 Total CO2 (mol/kg) = 6.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.969e-15 + Electrical balance (eq) = 2.167e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.672622e+01 @@ -5773,8 +5712,8 @@ Reaction 1. H+ 7.901e-04 7.169e-04 -3.102 -3.145 -0.042 0.00 OH- 3.210e-10 2.865e-10 -9.494 -9.543 -0.049 -5.31 H2O 5.551e+01 9.896e-01 1.744 -0.005 0.000 17.92 -C(-4) 1.075e-27 - CH4 1.075e-27 1.077e-27 -26.969 -26.968 0.001 38.40 +C(-4) 2.389e-27 + CH4 2.389e-27 2.395e-27 -26.622 -26.621 0.001 38.40 C(4) 6.100e-01 CO2 5.745e-01 5.754e-01 -0.241 -0.240 0.001 35.66 (CO2)2 1.736e-02 1.740e-02 -1.760 -1.759 0.001 71.33 @@ -5784,25 +5723,24 @@ C(4) 6.100e-01 Cl 1.000e-02 Cl- 9.998e-03 8.930e-03 -2.000 -2.049 -0.049 18.27 HCl 2.526e-06 2.553e-06 -5.598 -5.593 0.005 (0) -H(0) 2.001e-15 - H2 1.001e-15 1.003e-15 -15.000 -14.999 0.001 28.34 +H(0) 2.444e-15 + H2 1.222e-15 1.225e-15 -14.913 -14.912 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.948e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.405e-05 1.412e-05 -4.852 -4.850 0.002 31.50 - NaOH 2.352e-22 2.358e-22 -21.629 -21.627 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.500 -51.499 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.673 -51.672 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.61 -26.97 -3.36 CH4 + CH4(g) -23.26 -26.62 -3.36 CH4 CO2(g) 1.91 -0.24 -2.15 CO2 - H2(g) -11.59 -15.00 -3.40 H2 + H2(g) -11.51 -14.91 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -48.13 -51.50 -3.37 O2 + O2(g) -48.30 -51.67 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5840,21 +5778,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.141 Charge balance - pe = 11.687 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2555 + pe = 11.685 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2510 Density (g/cm³) = 1.01074 Volume (L) = 1.01695 - Viscosity (mPa s) = 0.45003 + Viscosity (mPa s) = 0.45875 Activity of water = 0.989 Ionic strength (mol/kgw) = 1.078e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.287e-14 + Total alkalinity (eq/kg) = -3.453e-15 Total CO2 (mol/kg) = 6.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.199e-14 + Electrical balance (eq) = 3.432e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.674622e+01 @@ -5867,7 +5805,7 @@ Reaction 1. OH- 3.185e-10 2.842e-10 -9.497 -9.546 -0.049 -5.31 H2O 5.551e+01 9.894e-01 1.744 -0.005 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.866 -99.864 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.848 -99.847 0.001 38.40 C(4) 6.200e-01 CO2 5.834e-01 5.844e-01 -0.234 -0.233 0.001 35.66 (CO2)2 1.790e-02 1.795e-02 -1.747 -1.746 0.001 71.33 @@ -5877,25 +5815,24 @@ C(4) 6.200e-01 Cl 1.000e-02 Cl- 9.998e-03 8.930e-03 -2.000 -2.049 -0.049 18.27 HCl 2.545e-06 2.572e-06 -5.594 -5.590 0.005 (0) -H(0) 1.190e-33 - H2 5.948e-34 5.963e-34 -33.226 -33.225 0.001 28.34 +H(0) 1.201e-33 + H2 6.007e-34 6.022e-34 -33.221 -33.220 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.948e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.415e-05 1.422e-05 -4.849 -4.847 0.002 31.50 - NaOH 2.334e-22 2.340e-22 -21.632 -21.631 0.001 (0) -O(0) 1.791e-15 - O2 8.955e-16 8.977e-16 -15.048 -15.047 0.001 31.28 +O(0) 1.756e-15 + O2 8.779e-16 8.801e-16 -15.057 -15.055 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.50 -99.86 -3.36 CH4 + CH4(g) -96.49 -99.85 -3.36 CH4 CO2(g) 1.92 -0.23 -2.15 CO2 H2(g) -29.82 -33.22 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.76 -4.10 1.67 NaCl - O2(g) -11.68 -15.05 -3.37 O2 + O2(g) -11.68 -15.06 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5933,21 +5870,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.138 Charge balance - pe = 2.391 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2557 + pe = 2.450 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2510 Density (g/cm³) = 1.01082 Volume (L) = 1.01730 - Viscosity (mPa s) = 0.45004 + Viscosity (mPa s) = 0.45888 Activity of water = 0.989 Ionic strength (mol/kgw) = 1.079e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.936e-15 + Total alkalinity (eq/kg) = -5.378e-14 Total CO2 (mol/kg) = 6.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.886e-15 + Electrical balance (eq) = 5.231e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.676622e+01 @@ -5959,8 +5896,8 @@ Reaction 1. H+ 8.022e-04 7.278e-04 -3.096 -3.138 -0.042 0.00 OH- 3.161e-10 2.821e-10 -9.500 -9.550 -0.049 -5.31 H2O 5.551e+01 9.893e-01 1.744 -0.005 0.000 17.92 -C(-4) 3.415e-26 - CH4 3.415e-26 3.424e-26 -25.467 -25.466 0.001 38.40 +C(-4) 1.162e-26 + CH4 1.162e-26 1.165e-26 -25.935 -25.934 0.001 38.40 C(4) 6.300e-01 CO2 5.923e-01 5.933e-01 -0.227 -0.227 0.001 35.66 (CO2)2 1.845e-02 1.850e-02 -1.734 -1.733 0.001 71.33 @@ -5970,25 +5907,24 @@ C(4) 6.300e-01 Cl 1.000e-02 Cl- 9.998e-03 8.929e-03 -2.000 -2.049 -0.049 18.27 HCl 2.564e-06 2.592e-06 -5.591 -5.586 0.005 (0) -H(0) 4.715e-15 - H2 2.357e-15 2.363e-15 -14.628 -14.627 0.001 28.34 +H(0) 3.601e-15 + H2 1.801e-15 1.805e-15 -14.745 -14.744 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.947e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.426e-05 1.433e-05 -4.846 -4.844 0.002 31.50 - NaOH 2.316e-22 2.322e-22 -21.635 -21.634 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.244 -52.243 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.010 -52.009 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.10 -25.47 -3.36 CH4 + CH4(g) -22.57 -25.93 -3.36 CH4 CO2(g) 1.92 -0.23 -2.15 CO2 - H2(g) -11.22 -14.63 -3.40 H2 + H2(g) -11.34 -14.74 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.87 -52.24 -3.37 O2 + O2(g) -48.64 -52.01 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6026,21 +5962,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.135 Charge balance - pe = 11.657 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2558 + pe = 11.649 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2511 Density (g/cm³) = 1.01090 Volume (L) = 1.01766 - Viscosity (mPa s) = 0.45004 + Viscosity (mPa s) = 0.45902 Activity of water = 0.989 Ionic strength (mol/kgw) = 1.079e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.204e-15 + Total alkalinity (eq/kg) = -4.432e-15 Total CO2 (mol/kg) = 6.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 5.135e-15 + Electrical balance (eq) = 4.378e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.678622e+01 @@ -6053,7 +5989,7 @@ Reaction 1. OH- 3.137e-10 2.800e-10 -9.503 -9.553 -0.049 -5.31 H2O 5.551e+01 9.891e-01 1.744 -0.005 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.558 -99.557 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.497 -99.496 0.001 38.40 C(4) 6.400e-01 CO2 6.012e-01 6.022e-01 -0.221 -0.220 0.001 35.66 (CO2)2 1.901e-02 1.906e-02 -1.721 -1.720 0.001 71.33 @@ -6063,25 +5999,24 @@ C(4) 6.400e-01 Cl 1.000e-02 Cl- 9.998e-03 8.929e-03 -2.000 -2.049 -0.049 18.27 HCl 2.583e-06 2.611e-06 -5.588 -5.583 0.005 (0) -H(0) 1.409e-33 - H2 7.046e-34 7.063e-34 -33.152 -33.151 0.001 28.34 +H(0) 1.459e-33 + H2 7.297e-34 7.315e-34 -33.137 -33.136 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.947e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.436e-05 1.444e-05 -4.843 -4.841 0.002 31.50 - NaOH 2.299e-22 2.304e-22 -21.639 -21.637 0.001 (0) -O(0) 1.276e-15 - O2 6.378e-16 6.393e-16 -15.195 -15.194 0.001 31.28 +O(0) 1.189e-15 + O2 5.946e-16 5.961e-16 -15.226 -15.225 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.20 -99.56 -3.36 CH4 + CH4(g) -96.13 -99.50 -3.36 CH4 CO2(g) 1.93 -0.22 -2.15 CO2 - H2(g) -29.75 -33.15 -3.40 H2 + H2(g) -29.73 -33.14 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.82 -15.19 -3.37 O2 + O2(g) -11.85 -15.22 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6119,19 +6054,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.132 Charge balance - pe = 2.354 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2560 + pe = 2.347 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2512 Density (g/cm³) = 1.01098 Volume (L) = 1.01801 - Viscosity (mPa s) = 0.45005 + Viscosity (mPa s) = 0.45915 Activity of water = 0.989 Ionic strength (mol/kgw) = 1.080e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.391e-15 + Total alkalinity (eq/kg) = -1.330e-15 Total CO2 (mol/kg) = 6.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.393e-15 + Electrical balance (eq) = 1.361e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 16 Total H = 1.110124e+02 @@ -6145,8 +6080,8 @@ Reaction 1. H+ 8.140e-04 7.385e-04 -3.089 -3.132 -0.042 0.00 OH- 3.114e-10 2.779e-10 -9.507 -9.556 -0.049 -5.31 H2O 5.551e+01 9.889e-01 1.744 -0.005 0.000 17.92 -C(-4) 7.853e-26 - CH4 7.853e-26 7.873e-26 -25.105 -25.104 0.001 38.40 +C(-4) 8.922e-26 + CH4 8.922e-26 8.944e-26 -25.050 -25.048 0.001 38.40 C(4) 6.500e-01 CO2 6.100e-01 6.110e-01 -0.215 -0.214 0.001 35.66 (CO2)2 1.958e-02 1.962e-02 -1.708 -1.707 0.001 71.33 @@ -6156,25 +6091,24 @@ C(4) 6.500e-01 Cl 1.000e-02 Cl- 9.998e-03 8.929e-03 -2.000 -2.049 -0.049 18.27 HCl 2.602e-06 2.630e-06 -5.585 -5.580 0.005 (0) -H(0) 5.762e-15 - H2 2.881e-15 2.888e-15 -14.540 -14.539 0.001 28.34 +H(0) 5.949e-15 + H2 2.974e-15 2.982e-15 -14.527 -14.526 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.947e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.447e-05 1.454e-05 -4.840 -4.837 0.002 31.50 - NaOH 2.282e-22 2.287e-22 -21.642 -21.641 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.419 -52.418 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.446 -52.445 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.74 -25.10 -3.36 CH4 + CH4(g) -21.69 -25.05 -3.36 CH4 CO2(g) 1.94 -0.21 -2.15 CO2 - H2(g) -11.14 -14.54 -3.40 H2 + H2(g) -11.12 -14.53 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -49.05 -52.42 -3.37 O2 + O2(g) -49.07 -52.45 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6212,21 +6146,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.129 Charge balance - pe = 11.981 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2561 + pe = 11.365 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2512 Density (g/cm³) = 1.01106 Volume (L) = 1.01837 - Viscosity (mPa s) = 0.45005 + Viscosity (mPa s) = 0.45929 Activity of water = 0.989 Ionic strength (mol/kgw) = 1.081e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.412e-15 + Total alkalinity (eq/kg) = -7.869e-15 Total CO2 (mol/kg) = 6.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 4.346e-15 + Electrical balance (eq) = 7.702e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 42 + Iterations = 39 Total H = 1.110124e+02 Total O = 5.682622e+01 @@ -6239,7 +6173,7 @@ Reaction 1. OH- 3.092e-10 2.759e-10 -9.510 -9.559 -0.049 -5.31 H2O 5.551e+01 9.888e-01 1.744 -0.005 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -102.089 -102.088 0.001 38.40 + CH4 0.000e+00 0.000e+00 -97.161 -97.160 0.001 38.40 C(4) 6.600e-01 CO2 6.189e-01 6.199e-01 -0.208 -0.208 0.001 35.66 (CO2)2 2.015e-02 2.020e-02 -1.696 -1.695 0.001 71.33 @@ -6249,25 +6183,24 @@ C(4) 6.600e-01 Cl 1.000e-02 Cl- 9.998e-03 8.929e-03 -2.000 -2.049 -0.049 18.27 HCl 2.620e-06 2.648e-06 -5.582 -5.577 0.005 (0) -H(0) 3.258e-34 - H2 1.629e-34 1.633e-34 -33.788 -33.787 0.001 28.34 +H(0) 5.558e-33 + H2 2.779e-33 2.786e-33 -32.556 -32.555 0.001 28.34 Na 1.000e-02 Na+ 9.986e-03 8.946e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.457e-05 1.464e-05 -4.836 -4.834 0.002 31.50 - NaOH 2.265e-22 2.271e-22 -21.645 -21.644 0.001 (0) -O(0) 2.384e-14 - O2 1.192e-14 1.195e-14 -13.924 -13.923 0.001 31.28 +O(0) 8.194e-17 + O2 4.097e-17 4.107e-17 -16.388 -16.386 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -98.73 -102.09 -3.36 CH4 + CH4(g) -93.80 -97.16 -3.36 CH4 CO2(g) 1.94 -0.21 -2.15 CO2 - H2(g) -30.38 -33.79 -3.40 H2 + H2(g) -29.15 -32.56 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -10.55 -13.92 -3.37 O2 + O2(g) -13.02 -16.39 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6305,19 +6238,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.126 Charge balance - pe = 11.773 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2562 + pe = 11.756 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2513 Density (g/cm³) = 1.01114 Volume (L) = 1.01873 - Viscosity (mPa s) = 0.45006 + Viscosity (mPa s) = 0.45942 Activity of water = 0.989 Ionic strength (mol/kgw) = 1.081e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.578e-15 + Total alkalinity (eq/kg) = -4.808e-16 Total CO2 (mol/kg) = 6.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.608e-15 + Electrical balance (eq) = 5.234e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -6332,7 +6265,7 @@ Reaction 1. OH- 3.070e-10 2.739e-10 -9.513 -9.562 -0.049 -5.31 H2O 5.551e+01 9.886e-01 1.744 -0.005 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.397 -100.395 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.258 -100.257 0.001 38.40 C(4) 6.700e-01 CO2 6.277e-01 6.288e-01 -0.202 -0.202 0.001 35.66 (CO2)2 2.073e-02 2.078e-02 -1.683 -1.682 0.001 71.33 @@ -6342,25 +6275,24 @@ C(4) 6.700e-01 Cl 1.000e-02 Cl- 9.998e-03 8.928e-03 -2.000 -2.049 -0.049 18.27 HCl 2.639e-06 2.667e-06 -5.579 -5.574 0.005 (0) -H(0) 8.600e-34 - H2 4.300e-34 4.311e-34 -33.367 -33.365 0.001 28.34 +H(0) 9.314e-34 + H2 4.657e-34 4.669e-34 -33.332 -33.331 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.946e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.467e-05 1.475e-05 -4.833 -4.831 0.002 31.50 - NaOH 2.249e-22 2.254e-22 -21.648 -21.647 0.001 (0) -O(0) 3.421e-15 - O2 1.710e-15 1.715e-15 -14.767 -14.766 0.001 31.28 +O(0) 2.916e-15 + O2 1.458e-15 1.462e-15 -14.836 -14.835 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -97.03 -100.40 -3.36 CH4 + CH4(g) -96.90 -100.26 -3.36 CH4 CO2(g) 1.95 -0.20 -2.15 CO2 - H2(g) -29.96 -33.37 -3.40 H2 + H2(g) -29.93 -33.33 -3.40 H2 H2O(g) -0.45 -0.00 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.39 -14.77 -3.37 O2 + O2(g) -11.46 -14.84 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6398,21 +6330,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.123 Charge balance - pe = 2.649 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2564 + pe = 2.582 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2513 Density (g/cm³) = 1.01121 Volume (L) = 1.01908 - Viscosity (mPa s) = 0.45007 + Viscosity (mPa s) = 0.45956 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.082e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.121e-16 + Total alkalinity (eq/kg) = -6.935e-14 Total CO2 (mol/kg) = 6.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 4.712e-16 + Electrical balance (eq) = 7.273e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 27 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.686622e+01 @@ -6424,8 +6356,8 @@ Reaction 1. H+ 8.314e-04 7.542e-04 -3.080 -3.123 -0.042 0.00 OH- 3.048e-10 2.720e-10 -9.516 -9.565 -0.050 -5.31 H2O 5.551e+01 9.884e-01 1.744 -0.005 0.000 17.92 -C(-4) 4.215e-28 - CH4 4.215e-28 4.225e-28 -27.375 -27.374 0.001 38.40 +C(-4) 1.454e-27 + CH4 1.454e-27 1.457e-27 -26.838 -26.836 0.001 38.40 C(4) 6.800e-01 CO2 6.365e-01 6.376e-01 -0.196 -0.195 0.001 35.66 (CO2)2 2.131e-02 2.137e-02 -1.671 -1.670 0.001 71.33 @@ -6435,25 +6367,24 @@ C(4) 6.800e-01 Cl 1.000e-02 Cl- 9.997e-03 8.928e-03 -2.000 -2.049 -0.049 18.27 HCl 2.657e-06 2.685e-06 -5.576 -5.571 0.005 (0) -H(0) 1.543e-15 - H2 7.714e-16 7.733e-16 -15.113 -15.112 0.001 28.34 +H(0) 2.102e-15 + H2 1.051e-15 1.054e-15 -14.978 -14.977 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.946e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.477e-05 1.485e-05 -4.830 -4.828 0.002 31.50 - NaOH 2.233e-22 2.238e-22 -21.651 -21.650 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.275 -51.274 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.543 -51.542 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -24.01 -27.37 -3.36 CH4 + CH4(g) -23.48 -26.84 -3.36 CH4 CO2(g) 1.96 -0.20 -2.15 CO2 - H2(g) -11.71 -15.11 -3.40 H2 + H2(g) -11.57 -14.98 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -47.90 -51.27 -3.37 O2 + O2(g) -48.17 -51.54 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6491,19 +6422,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.120 Charge balance - pe = 11.746 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2565 + pe = 11.758 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2514 Density (g/cm³) = 1.01129 Volume (L) = 1.01944 - Viscosity (mPa s) = 0.45007 + Viscosity (mPa s) = 0.45969 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.082e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.807e-15 + Total alkalinity (eq/kg) = -6.903e-15 Total CO2 (mol/kg) = 6.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.687e-15 + Electrical balance (eq) = 6.770e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -6518,7 +6449,7 @@ Reaction 1. OH- 3.027e-10 2.701e-10 -9.519 -9.568 -0.050 -5.31 H2O 5.551e+01 9.883e-01 1.744 -0.005 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.120 -100.119 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.216 -100.215 0.001 38.40 C(4) 6.900e-01 CO2 6.454e-01 6.464e-01 -0.190 -0.189 0.001 35.66 (CO2)2 2.191e-02 2.196e-02 -1.659 -1.658 0.001 71.33 @@ -6528,25 +6459,24 @@ C(4) 6.900e-01 Cl 1.000e-02 Cl- 9.997e-03 8.928e-03 -2.000 -2.049 -0.049 18.27 HCl 2.675e-06 2.703e-06 -5.573 -5.568 0.005 (0) -H(0) 1.001e-33 - H2 5.007e-34 5.019e-34 -33.300 -33.299 0.001 28.34 +H(0) 9.474e-34 + H2 4.737e-34 4.749e-34 -33.324 -33.323 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.945e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.487e-05 1.495e-05 -4.828 -4.825 0.002 31.50 - NaOH 2.217e-22 2.223e-22 -21.654 -21.653 0.001 (0) -O(0) 2.522e-15 - O2 1.261e-15 1.264e-15 -14.899 -14.898 0.001 31.28 +O(0) 2.817e-15 + O2 1.409e-15 1.412e-15 -14.851 -14.850 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.76 -100.12 -3.36 CH4 + CH4(g) -96.85 -100.22 -3.36 CH4 CO2(g) 1.96 -0.19 -2.15 CO2 - H2(g) -29.90 -33.30 -3.40 H2 + H2(g) -29.92 -33.32 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.53 -14.90 -3.37 O2 + O2(g) -11.48 -14.85 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6584,21 +6514,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.117 Charge balance - pe = 2.519 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2566 + pe = 2.522 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2514 Density (g/cm³) = 1.01137 Volume (L) = 1.01980 - Viscosity (mPa s) = 0.45008 + Viscosity (mPa s) = 0.45982 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.083e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.202e-15 + Total alkalinity (eq/kg) = -5.260e-14 Total CO2 (mol/kg) = 7.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.171e-15 + Electrical balance (eq) = 5.118e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.690622e+01 @@ -6610,8 +6540,8 @@ Reaction 1. H+ 8.427e-04 7.644e-04 -3.074 -3.117 -0.042 0.00 OH- 3.007e-10 2.682e-10 -9.522 -9.571 -0.050 -5.31 H2O 5.551e+01 9.881e-01 1.744 -0.005 0.000 17.92 -C(-4) 5.309e-27 - CH4 5.309e-27 5.323e-27 -26.275 -26.274 0.001 38.40 +C(-4) 5.053e-27 + CH4 5.053e-27 5.066e-27 -26.296 -26.295 0.001 38.40 C(4) 7.000e-01 CO2 6.541e-01 6.552e-01 -0.184 -0.184 0.001 35.66 (CO2)2 2.251e-02 2.256e-02 -1.648 -1.647 0.001 71.33 @@ -6621,25 +6551,24 @@ C(4) 7.000e-01 Cl 1.000e-02 Cl- 9.997e-03 8.928e-03 -2.000 -2.049 -0.049 18.27 HCl 2.693e-06 2.721e-06 -5.570 -5.565 0.005 (0) -H(0) 2.886e-15 - H2 1.443e-15 1.447e-15 -14.841 -14.840 0.001 28.34 +H(0) 2.851e-15 + H2 1.425e-15 1.429e-15 -14.846 -14.845 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.945e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.497e-05 1.505e-05 -4.825 -4.823 0.002 31.50 - NaOH 2.202e-22 2.208e-22 -21.657 -21.656 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.819 -51.818 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.808 -51.807 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.91 -26.27 -3.36 CH4 + CH4(g) -22.93 -26.30 -3.36 CH4 CO2(g) 1.97 -0.18 -2.15 CO2 H2(g) -11.44 -14.84 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.45 -51.82 -3.37 O2 + O2(g) -48.44 -51.81 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6677,21 +6606,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.114 Charge balance - pe = 11.722 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2567 + pe = 11.728 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2515 Density (g/cm³) = 1.01145 Volume (L) = 1.02015 - Viscosity (mPa s) = 0.45008 + Viscosity (mPa s) = 0.45996 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.083e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.610e-14 + Total alkalinity (eq/kg) = -1.525e-15 Total CO2 (mol/kg) = 7.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.571e-14 + Electrical balance (eq) = 1.559e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.692622e+01 @@ -6704,7 +6633,7 @@ Reaction 1. OH- 2.986e-10 2.664e-10 -9.525 -9.574 -0.050 -5.31 H2O 5.551e+01 9.880e-01 1.744 -0.005 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.868 -99.867 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.918 -99.917 0.001 38.40 C(4) 7.100e-01 CO2 6.629e-01 6.640e-01 -0.179 -0.178 0.001 35.66 (CO2)2 2.312e-02 2.317e-02 -1.636 -1.635 0.001 71.33 @@ -6714,25 +6643,24 @@ C(4) 7.100e-01 Cl 1.000e-02 Cl- 9.997e-03 8.927e-03 -2.000 -2.049 -0.049 18.27 HCl 2.710e-06 2.739e-06 -5.567 -5.562 0.005 (0) -H(0) 1.150e-33 - H2 5.749e-34 5.764e-34 -33.240 -33.239 0.001 28.34 +H(0) 1.117e-33 + H2 5.586e-34 5.600e-34 -33.253 -33.252 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.945e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.507e-05 1.515e-05 -4.822 -4.820 0.002 31.50 - NaOH 2.187e-22 2.193e-22 -21.660 -21.659 0.001 (0) -O(0) 1.911e-15 - O2 9.556e-16 9.580e-16 -15.020 -15.019 0.001 31.28 +O(0) 2.024e-15 + O2 1.012e-15 1.015e-15 -14.995 -14.994 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.51 -99.87 -3.36 CH4 + CH4(g) -96.56 -99.92 -3.36 CH4 CO2(g) 1.97 -0.18 -2.15 CO2 - H2(g) -29.84 -33.24 -3.40 H2 + H2(g) -29.85 -33.25 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.65 -15.02 -3.37 O2 + O2(g) -11.62 -14.99 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6770,19 +6698,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.111 Charge balance - pe = 2.467 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2569 + pe = 2.450 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2515 Density (g/cm³) = 1.01153 Volume (L) = 1.02051 - Viscosity (mPa s) = 0.45009 + Viscosity (mPa s) = 0.46009 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.084e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.013e-14 + Total alkalinity (eq/kg) = -1.513e-14 Total CO2 (mol/kg) = 7.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 9.891e-15 + Electrical balance (eq) = 1.475e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -6796,8 +6724,8 @@ Reaction 1. H+ 8.538e-04 7.745e-04 -3.069 -3.111 -0.042 0.00 OH- 2.967e-10 2.647e-10 -9.528 -9.577 -0.050 -5.31 H2O 5.551e+01 9.878e-01 1.744 -0.005 0.000 17.92 -C(-4) 1.572e-26 - CH4 1.572e-26 1.576e-26 -25.804 -25.802 0.001 38.40 +C(-4) 2.163e-26 + CH4 2.163e-26 2.169e-26 -25.665 -25.664 0.001 38.40 C(4) 7.200e-01 CO2 6.717e-01 6.728e-01 -0.173 -0.172 0.001 35.66 (CO2)2 2.373e-02 2.379e-02 -1.625 -1.624 0.001 71.33 @@ -6807,25 +6735,24 @@ C(4) 7.200e-01 Cl 1.000e-02 Cl- 9.997e-03 8.927e-03 -2.000 -2.049 -0.049 18.27 HCl 2.728e-06 2.757e-06 -5.564 -5.560 0.005 (0) -H(0) 3.760e-15 - H2 1.880e-15 1.885e-15 -14.726 -14.725 0.001 28.34 +H(0) 4.073e-15 + H2 2.036e-15 2.041e-15 -14.691 -14.690 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.945e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.517e-05 1.525e-05 -4.819 -4.817 0.002 31.50 - NaOH 2.173e-22 2.178e-22 -21.663 -21.662 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.049 -52.048 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.118 -52.117 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.44 -25.80 -3.36 CH4 + CH4(g) -22.30 -25.66 -3.36 CH4 CO2(g) 1.98 -0.17 -2.15 CO2 - H2(g) -11.32 -14.72 -3.40 H2 + H2(g) -11.29 -14.69 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.68 -52.05 -3.37 O2 + O2(g) -48.75 -52.12 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6863,21 +6790,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.108 Charge balance - pe = 11.654 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2570 + pe = 11.627 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2515 Density (g/cm³) = 1.01160 Volume (L) = 1.02087 - Viscosity (mPa s) = 0.45009 + Viscosity (mPa s) = 0.46022 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.084e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.460e-14 + Total alkalinity (eq/kg) = -6.922e-15 Total CO2 (mol/kg) = 7.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.424e-14 + Electrical balance (eq) = 6.793e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.696622e+01 @@ -6890,7 +6817,7 @@ Reaction 1. OH- 2.947e-10 2.629e-10 -9.531 -9.580 -0.050 -5.31 H2O 5.551e+01 9.876e-01 1.744 -0.005 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.265 -99.264 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.056 -99.055 0.001 38.40 C(4) 7.300e-01 CO2 6.804e-01 6.816e-01 -0.167 -0.166 0.001 35.66 (CO2)2 2.435e-02 2.441e-02 -1.613 -1.612 0.001 71.33 @@ -6900,25 +6827,24 @@ C(4) 7.300e-01 Cl 1.000e-02 Cl- 9.997e-03 8.927e-03 -2.000 -2.049 -0.049 18.27 HCl 2.745e-06 2.775e-06 -5.561 -5.557 0.005 (0) -H(0) 1.616e-33 - H2 8.078e-34 8.098e-34 -33.093 -33.092 0.001 28.34 +H(0) 1.823e-33 + H2 9.114e-34 9.137e-34 -33.040 -33.039 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.944e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.527e-05 1.534e-05 -4.816 -4.814 0.002 31.50 - NaOH 2.158e-22 2.164e-22 -21.666 -21.665 0.001 (0) -O(0) 9.676e-16 - O2 4.838e-16 4.850e-16 -15.315 -15.314 0.001 31.28 +O(0) 7.600e-16 + O2 3.800e-16 3.809e-16 -15.420 -15.419 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -95.90 -99.26 -3.36 CH4 + CH4(g) -95.69 -99.05 -3.36 CH4 CO2(g) 1.98 -0.17 -2.15 CO2 - H2(g) -29.69 -33.09 -3.40 H2 + H2(g) -29.64 -33.04 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.94 -15.31 -3.37 O2 + O2(g) -12.05 -15.42 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6956,21 +6882,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.105 Charge balance - pe = 2.360 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2571 + pe = 2.361 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2516 Density (g/cm³) = 1.01168 Volume (L) = 1.02122 - Viscosity (mPa s) = 0.45010 + Viscosity (mPa s) = 0.46036 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.085e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.504e-14 + Total alkalinity (eq/kg) = -6.442e-15 Total CO2 (mol/kg) = 7.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.466e-14 + Electrical balance (eq) = 6.315e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.698622e+01 @@ -6982,8 +6908,8 @@ Reaction 1. H+ 8.647e-04 7.844e-04 -3.063 -3.105 -0.042 0.00 OH- 2.928e-10 2.612e-10 -9.533 -9.583 -0.050 -5.31 H2O 5.551e+01 9.875e-01 1.744 -0.005 0.000 17.92 -C(-4) 1.296e-25 - CH4 1.296e-25 1.299e-25 -24.887 -24.886 0.001 38.40 +C(-4) 1.254e-25 + CH4 1.254e-25 1.257e-25 -24.902 -24.901 0.001 38.40 C(4) 7.400e-01 CO2 6.892e-01 6.903e-01 -0.162 -0.161 0.001 35.66 (CO2)2 2.498e-02 2.505e-02 -1.602 -1.601 0.001 71.33 @@ -6993,25 +6919,24 @@ C(4) 7.400e-01 Cl 1.000e-02 Cl- 9.997e-03 8.927e-03 -2.000 -2.049 -0.049 18.27 HCl 2.763e-06 2.792e-06 -5.559 -5.554 0.005 (0) -H(0) 6.330e-15 - H2 3.165e-15 3.173e-15 -14.500 -14.499 0.001 28.34 +H(0) 6.278e-15 + H2 3.139e-15 3.147e-15 -14.503 -14.502 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.944e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.536e-05 1.544e-05 -4.814 -4.811 0.002 31.50 - NaOH 2.144e-22 2.150e-22 -21.669 -21.668 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.502 -52.501 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.495 -52.493 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.53 -24.89 -3.36 CH4 + CH4(g) -21.54 -24.90 -3.36 CH4 CO2(g) 1.99 -0.16 -2.15 CO2 - H2(g) -11.09 -14.50 -3.40 H2 + H2(g) -11.10 -14.50 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -49.13 -52.50 -3.37 O2 + O2(g) -49.12 -52.49 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7049,21 +6974,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.103 Charge balance - pe = 11.365 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2572 + pe = 11.359 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2516 Density (g/cm³) = 1.01176 Volume (L) = 1.02158 - Viscosity (mPa s) = 0.45010 + Viscosity (mPa s) = 0.46049 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.085e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.810e-14 + Total alkalinity (eq/kg) = -1.304e-13 Total CO2 (mol/kg) = 7.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.764e-14 + Electrical balance (eq) = 1.268e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 28 Total H = 1.110124e+02 Total O = 5.700622e+01 @@ -7076,7 +7001,7 @@ Reaction 1. OH- 2.910e-10 2.596e-10 -9.536 -9.586 -0.050 -5.31 H2O 5.551e+01 9.873e-01 1.744 -0.006 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -96.904 -96.903 0.001 38.40 + CH4 0.000e+00 0.000e+00 -96.852 -96.851 0.001 38.40 C(4) 7.500e-01 CO2 6.979e-01 6.991e-01 -0.156 -0.155 0.001 35.66 (CO2)2 2.562e-02 2.568e-02 -1.591 -1.590 0.001 71.33 @@ -7086,25 +7011,24 @@ C(4) 7.500e-01 Cl 1.000e-02 Cl- 9.997e-03 8.927e-03 -2.000 -2.049 -0.049 18.27 HCl 2.780e-06 2.810e-06 -5.556 -5.551 0.005 (0) -H(0) 6.249e-33 - H2 3.124e-33 3.132e-33 -32.505 -32.504 0.001 28.34 +H(0) 6.441e-33 + H2 3.221e-33 3.229e-33 -32.492 -32.491 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.944e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.546e-05 1.553e-05 -4.811 -4.809 0.002 31.50 - NaOH 2.131e-22 2.136e-22 -21.671 -21.670 0.001 (0) -O(0) 6.463e-17 - O2 3.231e-17 3.240e-17 -16.491 -16.490 0.001 31.28 +O(0) 6.083e-17 + O2 3.041e-17 3.049e-17 -16.517 -16.516 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -93.54 -96.90 -3.36 CH4 + CH4(g) -93.49 -96.85 -3.36 CH4 CO2(g) 2.00 -0.16 -2.15 CO2 - H2(g) -29.10 -32.50 -3.40 H2 + H2(g) -29.09 -32.49 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -13.12 -16.49 -3.37 O2 + O2(g) -13.14 -16.52 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7142,19 +7066,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.100 Charge balance - pe = 11.792 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2573 + pe = 11.781 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2516 Density (g/cm³) = 1.01184 Volume (L) = 1.02194 - Viscosity (mPa s) = 0.45011 + Viscosity (mPa s) = 0.46062 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.086e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.031e-15 + Total alkalinity (eq/kg) = -1.107e-14 Total CO2 (mol/kg) = 7.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 8.826e-15 + Electrical balance (eq) = 1.081e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -7169,7 +7093,7 @@ Reaction 1. OH- 2.892e-10 2.580e-10 -9.539 -9.588 -0.050 -5.31 H2O 5.551e+01 9.872e-01 1.744 -0.006 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.290 -100.289 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.205 -100.204 0.001 38.40 C(4) 7.600e-01 CO2 7.066e-01 7.078e-01 -0.151 -0.150 0.001 35.66 (CO2)2 2.626e-02 2.633e-02 -1.581 -1.580 0.001 71.33 @@ -7179,25 +7103,24 @@ C(4) 7.600e-01 Cl 1.000e-02 Cl- 9.997e-03 8.926e-03 -2.000 -2.049 -0.049 18.27 HCl 2.797e-06 2.827e-06 -5.553 -5.549 0.005 (0) -H(0) 8.870e-34 - H2 4.435e-34 4.446e-34 -33.353 -33.352 0.001 28.34 +H(0) 9.315e-34 + H2 4.657e-34 4.669e-34 -33.332 -33.331 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.943e-03 -2.001 -2.048 -0.048 1.45 NaHCO3 1.555e-05 1.563e-05 -4.808 -4.806 0.002 31.50 - NaOH 2.117e-22 2.123e-22 -21.674 -21.673 0.001 (0) -O(0) 3.206e-15 - O2 1.603e-15 1.607e-15 -14.795 -14.794 0.001 31.28 +O(0) 2.908e-15 + O2 1.454e-15 1.457e-15 -14.837 -14.836 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.93 -100.29 -3.36 CH4 + CH4(g) -96.84 -100.20 -3.36 CH4 CO2(g) 2.00 -0.15 -2.15 CO2 - H2(g) -29.95 -33.35 -3.40 H2 + H2(g) -29.93 -33.33 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.42 -14.79 -3.37 O2 + O2(g) -11.47 -14.84 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7235,21 +7158,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.097 Charge balance - pe = 2.590 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2574 + pe = 2.630 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2517 Density (g/cm³) = 1.01191 Volume (L) = 1.02229 - Viscosity (mPa s) = 0.45011 + Viscosity (mPa s) = 0.46076 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.087e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.196e-15 + Total alkalinity (eq/kg) = -1.999e-14 Total CO2 (mol/kg) = 7.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 8.993e-15 + Electrical balance (eq) = 1.949e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 26 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.704622e+01 @@ -7261,8 +7184,8 @@ Reaction 1. H+ 8.808e-04 7.989e-04 -3.055 -3.097 -0.042 0.00 OH- 2.874e-10 2.564e-10 -9.542 -9.591 -0.050 -5.31 H2O 5.551e+01 9.870e-01 1.744 -0.006 0.000 17.92 -C(-4) 2.222e-27 - CH4 2.222e-27 2.228e-27 -26.653 -26.652 0.001 38.40 +C(-4) 1.079e-27 + CH4 1.079e-27 1.081e-27 -26.967 -26.966 0.001 38.40 C(4) 7.700e-01 CO2 7.153e-01 7.165e-01 -0.146 -0.145 0.001 35.66 (CO2)2 2.691e-02 2.698e-02 -1.570 -1.569 0.001 71.33 @@ -7272,25 +7195,24 @@ C(4) 7.700e-01 Cl 1.000e-02 Cl- 9.997e-03 8.926e-03 -2.000 -2.049 -0.049 18.27 HCl 2.814e-06 2.844e-06 -5.551 -5.546 0.005 (0) -H(0) 2.269e-15 - H2 1.134e-15 1.137e-15 -14.945 -14.944 0.001 28.34 +H(0) 1.894e-15 + H2 9.469e-16 9.493e-16 -15.024 -15.023 0.001 28.34 Na 1.000e-02 Na+ 9.985e-03 8.943e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.565e-05 1.572e-05 -4.806 -4.803 0.002 31.50 - NaOH 2.104e-22 2.109e-22 -21.677 -21.676 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.611 -51.610 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.454 -51.453 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.29 -26.65 -3.36 CH4 + CH4(g) -23.61 -26.97 -3.36 CH4 CO2(g) 2.01 -0.14 -2.15 CO2 - H2(g) -11.54 -14.94 -3.40 H2 + H2(g) -11.62 -15.02 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.24 -51.61 -3.37 O2 + O2(g) -48.08 -51.45 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7328,19 +7250,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.095 Charge balance - pe = 11.742 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2575 + pe = 11.758 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2517 Density (g/cm³) = 1.01199 Volume (L) = 1.02265 - Viscosity (mPa s) = 0.45012 + Viscosity (mPa s) = 0.46089 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.087e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.927e-13 + Total alkalinity (eq/kg) = -7.010e-14 Total CO2 (mol/kg) = 7.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.757e-13 + Electrical balance (eq) = 6.817e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -7355,7 +7277,7 @@ Reaction 1. OH- 2.856e-10 2.548e-10 -9.544 -9.594 -0.050 -5.31 H2O 5.551e+01 9.869e-01 1.744 -0.006 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.836 -99.835 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.965 -99.964 0.001 38.40 C(4) 7.800e-01 CO2 7.240e-01 7.252e-01 -0.140 -0.140 0.001 35.66 (CO2)2 2.757e-02 2.764e-02 -1.560 -1.558 0.001 71.33 @@ -7365,25 +7287,24 @@ C(4) 7.800e-01 Cl 1.000e-02 Cl- 9.997e-03 8.926e-03 -2.000 -2.049 -0.049 18.27 HCl 2.830e-06 2.861e-06 -5.548 -5.544 0.005 (0) -H(0) 1.145e-33 - H2 5.725e-34 5.739e-34 -33.242 -33.241 0.001 28.34 +H(0) 1.063e-33 + H2 5.313e-34 5.327e-34 -33.275 -33.274 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.943e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.574e-05 1.582e-05 -4.803 -4.801 0.002 31.50 - NaOH 2.091e-22 2.097e-22 -21.680 -21.679 0.001 (0) -O(0) 1.923e-15 - O2 9.615e-16 9.639e-16 -15.017 -15.016 0.001 31.28 +O(0) 2.232e-15 + O2 1.116e-15 1.119e-15 -14.952 -14.951 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.47 -99.83 -3.36 CH4 + CH4(g) -96.60 -99.96 -3.36 CH4 CO2(g) 2.01 -0.14 -2.15 CO2 - H2(g) -29.84 -33.24 -3.40 H2 + H2(g) -29.87 -33.27 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.64 -15.02 -3.37 O2 + O2(g) -11.58 -14.95 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7421,21 +7342,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.092 Charge balance - pe = 2.501 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2576 + pe = 2.579 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2517 Density (g/cm³) = 1.01207 Volume (L) = 1.02301 - Viscosity (mPa s) = 0.45012 + Viscosity (mPa s) = 0.46102 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.088e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.607e-14 + Total alkalinity (eq/kg) = -5.454e-13 Total CO2 (mol/kg) = 7.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.567e-14 + Electrical balance (eq) = 5.359e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.708622e+01 @@ -7447,8 +7368,8 @@ Reaction 1. H+ 8.913e-04 8.084e-04 -3.050 -3.092 -0.042 0.00 OH- 2.839e-10 2.533e-10 -9.547 -9.596 -0.050 -5.31 H2O 5.551e+01 9.867e-01 1.744 -0.006 0.000 17.92 -C(-4) 1.295e-26 - CH4 1.295e-26 1.299e-26 -25.888 -25.887 0.001 38.40 +C(-4) 3.082e-27 + CH4 3.082e-27 3.090e-27 -26.511 -26.510 0.001 38.40 C(4) 7.900e-01 CO2 7.326e-01 7.339e-01 -0.135 -0.134 0.001 35.66 (CO2)2 2.823e-02 2.831e-02 -1.549 -1.548 0.001 71.33 @@ -7458,25 +7379,24 @@ C(4) 7.900e-01 Cl 1.000e-02 Cl- 9.997e-03 8.926e-03 -2.000 -2.049 -0.049 18.27 HCl 2.847e-06 2.877e-06 -5.546 -5.541 0.005 (0) -H(0) 3.504e-15 - H2 1.752e-15 1.756e-15 -14.756 -14.755 0.001 28.34 +H(0) 2.447e-15 + H2 1.224e-15 1.227e-15 -14.912 -14.911 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.943e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.583e-05 1.591e-05 -4.801 -4.798 0.002 31.50 - NaOH 2.079e-22 2.084e-22 -21.682 -21.681 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.989 -51.988 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.677 -51.676 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.53 -25.89 -3.36 CH4 + CH4(g) -23.15 -26.51 -3.36 CH4 CO2(g) 2.02 -0.13 -2.15 CO2 - H2(g) -11.35 -14.76 -3.40 H2 + H2(g) -11.51 -14.91 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.62 -51.99 -3.37 O2 + O2(g) -48.30 -51.68 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7514,21 +7434,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.090 Charge balance - pe = 11.710 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2577 + pe = 11.696 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2517 Density (g/cm³) = 1.01215 Volume (L) = 1.02336 - Viscosity (mPa s) = 0.45012 + Viscosity (mPa s) = 0.46116 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.088e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.527e-14 + Total alkalinity (eq/kg) = -4.018e-14 Total CO2 (mol/kg) = 8.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.461e-14 + Electrical balance (eq) = 3.909e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.710622e+01 @@ -7541,7 +7461,7 @@ Reaction 1. OH- 2.823e-10 2.518e-10 -9.549 -9.599 -0.050 -5.31 H2O 5.551e+01 9.865e-01 1.744 -0.006 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.533 -99.532 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.421 -99.420 0.001 38.40 C(4) 8.000e-01 CO2 7.413e-01 7.425e-01 -0.130 -0.129 0.001 35.66 (CO2)2 2.891e-02 2.898e-02 -1.539 -1.538 0.001 71.33 @@ -7551,25 +7471,24 @@ C(4) 8.000e-01 Cl 1.000e-02 Cl- 9.997e-03 8.925e-03 -2.000 -2.049 -0.049 18.27 HCl 2.863e-06 2.894e-06 -5.543 -5.538 0.005 (0) -H(0) 1.355e-33 - H2 6.775e-34 6.792e-34 -33.169 -33.168 0.001 28.34 +H(0) 1.445e-33 + H2 7.223e-34 7.241e-34 -33.141 -33.140 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.942e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.592e-05 1.600e-05 -4.798 -4.796 0.002 31.50 - NaOH 2.066e-22 2.071e-22 -21.685 -21.684 0.001 (0) -O(0) 1.372e-15 - O2 6.861e-16 6.878e-16 -15.164 -15.163 0.001 31.28 +O(0) 1.207e-15 + O2 6.036e-16 6.051e-16 -15.219 -15.218 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.17 -99.53 -3.36 CH4 + CH4(g) -96.06 -99.42 -3.36 CH4 CO2(g) 2.02 -0.13 -2.15 CO2 - H2(g) -29.76 -33.17 -3.40 H2 + H2(g) -29.74 -33.14 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.79 -15.16 -3.37 O2 + O2(g) -11.85 -15.22 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7607,21 +7526,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.087 Charge balance - pe = 2.421 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2578 + pe = 2.410 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01222 Volume (L) = 1.02372 - Viscosity (mPa s) = 0.45013 + Viscosity (mPa s) = 0.46129 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.089e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.045e-15 + Total alkalinity (eq/kg) = -4.109e-14 Total CO2 (mol/kg) = 8.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 5.923e-15 + Electrical balance (eq) = 3.999e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.712622e+01 @@ -7633,8 +7552,8 @@ Reaction 1. H+ 9.017e-04 8.178e-04 -3.045 -3.087 -0.042 0.00 OH- 2.806e-10 2.503e-10 -9.552 -9.602 -0.050 -5.31 H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 17.92 -C(-4) 6.433e-26 - CH4 6.433e-26 6.449e-26 -25.192 -25.190 0.001 38.40 +C(-4) 7.742e-26 + CH4 7.742e-26 7.762e-26 -25.111 -25.110 0.001 38.40 C(4) 8.100e-01 CO2 7.499e-01 7.512e-01 -0.125 -0.124 0.001 35.66 (CO2)2 2.958e-02 2.966e-02 -1.529 -1.528 0.001 71.33 @@ -7644,25 +7563,24 @@ C(4) 8.100e-01 Cl 1.000e-02 Cl- 9.997e-03 8.925e-03 -2.000 -2.049 -0.049 18.27 HCl 2.880e-06 2.911e-06 -5.541 -5.536 0.005 (0) -H(0) 5.199e-15 - H2 2.600e-15 2.606e-15 -14.585 -14.584 0.001 28.34 +H(0) 5.446e-15 + H2 2.723e-15 2.730e-15 -14.565 -14.564 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.942e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.601e-05 1.609e-05 -4.796 -4.793 0.002 31.50 - NaOH 2.054e-22 2.059e-22 -21.687 -21.686 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.332 -52.331 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.372 -52.371 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.83 -25.19 -3.36 CH4 + CH4(g) -21.75 -25.11 -3.36 CH4 CO2(g) 2.03 -0.12 -2.15 CO2 - H2(g) -11.18 -14.58 -3.40 H2 + H2(g) -11.16 -14.56 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.96 -52.33 -3.37 O2 + O2(g) -49.00 -52.37 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7700,21 +7618,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.085 Charge balance - pe = 11.577 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2579 + pe = 11.653 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01230 Volume (L) = 1.02408 - Viscosity (mPa s) = 0.45013 + Viscosity (mPa s) = 0.46142 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.089e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.727e-14 + Total alkalinity (eq/kg) = -3.976e-14 Total CO2 (mol/kg) = 8.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.685e-14 + Electrical balance (eq) = 3.869e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 37 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.714622e+01 @@ -7727,7 +7645,7 @@ Reaction 1. OH- 2.790e-10 2.488e-10 -9.554 -9.604 -0.050 -5.31 H2O 5.551e+01 9.862e-01 1.744 -0.006 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -98.421 -98.420 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.025 -99.024 0.001 38.40 C(4) 8.200e-01 CO2 7.586e-01 7.598e-01 -0.120 -0.119 0.001 35.66 (CO2)2 3.027e-02 3.034e-02 -1.519 -1.518 0.001 71.33 @@ -7737,25 +7655,24 @@ C(4) 8.200e-01 Cl 1.000e-02 Cl- 9.997e-03 8.925e-03 -2.000 -2.049 -0.049 18.27 HCl 2.896e-06 2.927e-06 -5.538 -5.534 0.005 (0) -H(0) 2.554e-33 - H2 1.277e-33 1.280e-33 -32.894 -32.893 0.001 28.34 +H(0) 1.804e-33 + H2 9.022e-34 9.044e-34 -33.045 -33.044 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.942e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.610e-05 1.618e-05 -4.793 -4.791 0.002 31.50 - NaOH 2.042e-22 2.047e-22 -21.690 -21.689 0.001 (0) -O(0) 3.859e-16 - O2 1.929e-16 1.934e-16 -15.715 -15.713 0.001 31.28 +O(0) 7.734e-16 + O2 3.867e-16 3.877e-16 -15.413 -15.412 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -95.06 -98.42 -3.36 CH4 + CH4(g) -95.66 -99.02 -3.36 CH4 CO2(g) 2.03 -0.12 -2.15 CO2 - H2(g) -29.49 -32.89 -3.40 H2 + H2(g) -29.64 -33.04 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -12.34 -15.71 -3.37 O2 + O2(g) -12.04 -15.41 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7793,21 +7710,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.082 Charge balance - pe = 2.358 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2580 + pe = 2.387 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01238 Volume (L) = 1.02443 - Viscosity (mPa s) = 0.45014 + Viscosity (mPa s) = 0.46155 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.090e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.163e-14 + Total alkalinity (eq/kg) = -1.599e-14 Total CO2 (mol/kg) = 8.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.137e-14 + Electrical balance (eq) = 1.560e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 19 Total H = 1.110124e+02 Total O = 5.716622e+01 @@ -7819,8 +7736,8 @@ Reaction 1. H+ 9.119e-04 8.270e-04 -3.040 -3.082 -0.042 0.00 OH- 2.774e-10 2.474e-10 -9.557 -9.607 -0.050 -5.31 H2O 5.551e+01 9.861e-01 1.744 -0.006 0.000 17.92 -C(-4) 2.291e-25 - CH4 2.291e-25 2.297e-25 -24.640 -24.639 0.001 38.40 +C(-4) 1.338e-25 + CH4 1.338e-25 1.341e-25 -24.874 -24.873 0.001 38.40 C(4) 8.300e-01 CO2 7.672e-01 7.685e-01 -0.115 -0.114 0.001 35.66 (CO2)2 3.096e-02 3.104e-02 -1.509 -1.508 0.001 71.33 @@ -7830,25 +7747,24 @@ C(4) 8.300e-01 Cl 1.000e-02 Cl- 9.997e-03 8.925e-03 -2.000 -2.049 -0.049 18.27 HCl 2.912e-06 2.943e-06 -5.536 -5.531 0.005 (0) -H(0) 7.101e-15 - H2 3.550e-15 3.559e-15 -14.450 -14.449 0.001 28.34 +H(0) 6.207e-15 + H2 3.104e-15 3.111e-15 -14.508 -14.507 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.941e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.619e-05 1.627e-05 -4.791 -4.789 0.002 31.50 - NaOH 2.030e-22 2.035e-22 -21.692 -21.691 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.603 -52.602 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.486 -52.485 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.28 -24.64 -3.36 CH4 + CH4(g) -21.51 -24.87 -3.36 CH4 CO2(g) 2.04 -0.11 -2.15 CO2 - H2(g) -11.04 -14.45 -3.40 H2 + H2(g) -11.10 -14.51 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -49.23 -52.60 -3.37 O2 + O2(g) -49.11 -52.48 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7886,21 +7802,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.080 Charge balance - pe = 2.843 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2581 + pe = 2.618 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01246 Volume (L) = 1.02479 - Viscosity (mPa s) = 0.45014 + Viscosity (mPa s) = 0.46168 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.090e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.473e-15 + Total alkalinity (eq/kg) = -1.518e-15 Total CO2 (mol/kg) = 8.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.494e-15 + Electrical balance (eq) = 1.548e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 53 + Iterations = 51 Total H = 1.110124e+02 Total O = 5.718622e+01 @@ -7912,8 +7828,8 @@ Reaction 1. H+ 9.169e-04 8.316e-04 -3.038 -3.080 -0.042 0.00 OH- 2.759e-10 2.460e-10 -9.559 -9.609 -0.050 -5.31 H2O 5.551e+01 9.859e-01 1.744 -0.006 0.000 17.92 -C(-4) 3.197e-29 - CH4 3.197e-29 3.205e-29 -28.495 -28.494 0.001 38.40 +C(-4) 1.999e-27 + CH4 1.999e-27 2.004e-27 -26.699 -26.698 0.001 38.40 C(4) 8.400e-01 CO2 7.758e-01 7.771e-01 -0.110 -0.110 0.001 35.66 (CO2)2 3.166e-02 3.174e-02 -1.500 -1.498 0.001 71.33 @@ -7923,25 +7839,24 @@ C(4) 8.400e-01 Cl 1.000e-02 Cl- 9.997e-03 8.924e-03 -2.000 -2.049 -0.049 18.27 HCl 2.928e-06 2.959e-06 -5.533 -5.529 0.005 (0) -H(0) 7.696e-16 - H2 3.848e-16 3.857e-16 -15.415 -15.414 0.001 28.34 +H(0) 2.164e-15 + H2 1.082e-15 1.085e-15 -14.966 -14.965 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.941e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.628e-05 1.636e-05 -4.788 -4.786 0.002 31.50 - NaOH 2.019e-22 2.024e-22 -21.695 -21.694 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.673 -50.672 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.571 -51.570 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -25.13 -28.49 -3.36 CH4 + CH4(g) -23.34 -26.70 -3.36 CH4 CO2(g) 2.04 -0.11 -2.15 CO2 - H2(g) -12.01 -15.41 -3.40 H2 + H2(g) -11.56 -14.96 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -47.30 -50.67 -3.37 O2 + O2(g) -48.20 -51.57 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7979,21 +7894,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.078 Charge balance - pe = 11.804 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2582 + pe = 11.803 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01253 Volume (L) = 1.02515 - Viscosity (mPa s) = 0.45015 + Viscosity (mPa s) = 0.46182 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.091e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.474e-14 + Total alkalinity (eq/kg) = -2.323e-15 Total CO2 (mol/kg) = 8.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.409e-14 + Electrical balance (eq) = 2.315e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.720622e+01 @@ -8006,7 +7921,7 @@ Reaction 1. OH- 2.743e-10 2.447e-10 -9.562 -9.611 -0.050 -5.31 H2O 5.551e+01 9.857e-01 1.744 -0.006 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.165 -100.164 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.152 -100.151 0.001 38.40 C(4) 8.500e-01 CO2 7.844e-01 7.857e-01 -0.105 -0.105 0.001 35.66 (CO2)2 3.236e-02 3.244e-02 -1.490 -1.489 0.001 71.33 @@ -8016,25 +7931,24 @@ C(4) 8.500e-01 Cl 1.000e-02 Cl- 9.997e-03 8.924e-03 -2.000 -2.049 -0.049 18.27 HCl 2.944e-06 2.975e-06 -5.531 -5.526 0.005 (0) -H(0) 9.281e-34 - H2 4.640e-34 4.652e-34 -33.333 -33.332 0.001 28.34 +H(0) 9.351e-34 + H2 4.675e-34 4.687e-34 -33.330 -33.329 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.941e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.637e-05 1.645e-05 -4.786 -4.784 0.002 31.50 - NaOH 2.008e-22 2.013e-22 -21.697 -21.696 0.001 (0) -O(0) 2.920e-15 - O2 1.460e-15 1.464e-15 -14.836 -14.835 0.001 31.28 +O(0) 2.877e-15 + O2 1.438e-15 1.442e-15 -14.842 -14.841 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.80 -100.16 -3.36 CH4 + CH4(g) -96.79 -100.15 -3.36 CH4 CO2(g) 2.05 -0.10 -2.15 CO2 H2(g) -29.93 -33.33 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.46 -14.83 -3.37 O2 + O2(g) -11.47 -14.84 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8072,21 +7986,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.075 Charge balance - pe = 2.635 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2582 + pe = 2.586 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01261 Volume (L) = 1.02550 - Viscosity (mPa s) = 0.45015 + Viscosity (mPa s) = 0.46195 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.091e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.783e-16 + Total alkalinity (eq/kg) = -9.135e-14 Total CO2 (mol/kg) = 8.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 8.296e-16 + Electrical balance (eq) = 8.883e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.722622e+01 @@ -8098,8 +8012,8 @@ Reaction 1. H+ 9.269e-04 8.406e-04 -3.033 -3.075 -0.042 0.00 OH- 2.728e-10 2.433e-10 -9.564 -9.614 -0.050 -5.31 H2O 5.551e+01 9.856e-01 1.744 -0.006 0.000 17.92 -C(-4) 1.618e-27 - CH4 1.618e-27 1.622e-27 -26.791 -26.790 0.001 38.40 +C(-4) 4.040e-27 + CH4 4.040e-27 4.050e-27 -26.394 -26.393 0.001 38.40 C(4) 8.600e-01 CO2 7.929e-01 7.943e-01 -0.101 -0.100 0.001 35.66 (CO2)2 3.307e-02 3.316e-02 -1.481 -1.479 0.001 71.33 @@ -8109,25 +8023,24 @@ C(4) 8.600e-01 Cl 1.000e-02 Cl- 9.997e-03 8.924e-03 -2.000 -2.049 -0.049 18.27 HCl 2.960e-06 2.991e-06 -5.529 -5.524 0.005 (0) -H(0) 2.041e-15 - H2 1.021e-15 1.023e-15 -14.991 -14.990 0.001 28.34 +H(0) 2.566e-15 + H2 1.283e-15 1.286e-15 -14.892 -14.891 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.941e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.646e-05 1.654e-05 -4.784 -4.782 0.002 31.50 - NaOH 1.996e-22 2.001e-22 -21.700 -21.699 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.520 -51.519 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.719 -51.718 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -23.43 -26.79 -3.36 CH4 + CH4(g) -23.03 -26.39 -3.36 CH4 CO2(g) 2.05 -0.10 -2.15 CO2 - H2(g) -11.59 -14.99 -3.40 H2 + H2(g) -11.49 -14.89 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.15 -51.52 -3.37 O2 + O2(g) -48.35 -51.72 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8165,21 +8078,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.073 Charge balance - pe = 11.782 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2583 + pe = 11.775 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01269 Volume (L) = 1.02586 - Viscosity (mPa s) = 0.45016 + Viscosity (mPa s) = 0.46208 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.092e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.481e-15 + Total alkalinity (eq/kg) = -2.425e-14 Total CO2 (mol/kg) = 8.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 4.425e-15 + Electrical balance (eq) = 2.363e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.724622e+01 @@ -8192,7 +8105,7 @@ Reaction 1. OH- 2.713e-10 2.420e-10 -9.566 -9.616 -0.050 -5.31 H2O 5.551e+01 9.854e-01 1.744 -0.006 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.943 -99.942 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.881 -99.880 0.001 38.40 C(4) 8.700e-01 CO2 8.015e-01 8.028e-01 -0.096 -0.095 0.001 35.66 (CO2)2 3.379e-02 3.388e-02 -1.471 -1.470 0.001 71.33 @@ -8202,25 +8115,24 @@ C(4) 8.700e-01 Cl 1.000e-02 Cl- 9.997e-03 8.924e-03 -2.000 -2.049 -0.049 18.27 HCl 2.975e-06 3.007e-06 -5.526 -5.522 0.005 (0) -H(0) 1.049e-33 - H2 5.243e-34 5.256e-34 -33.280 -33.279 0.001 28.34 +H(0) 1.087e-33 + H2 5.435e-34 5.449e-34 -33.265 -33.264 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.940e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.654e-05 1.663e-05 -4.781 -4.779 0.002 31.50 - NaOH 1.986e-22 1.991e-22 -21.702 -21.701 0.001 (0) -O(0) 2.286e-15 - O2 1.143e-15 1.146e-15 -14.942 -14.941 0.001 31.28 +O(0) 2.127e-15 + O2 1.064e-15 1.066e-15 -14.973 -14.972 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.58 -99.94 -3.36 CH4 + CH4(g) -96.52 -99.88 -3.36 CH4 CO2(g) 2.06 -0.10 -2.15 CO2 - H2(g) -29.88 -33.28 -3.40 H2 + H2(g) -29.86 -33.26 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.57 -14.94 -3.37 O2 + O2(g) -11.60 -14.97 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8258,21 +8170,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.071 Charge balance - pe = 2.479 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2584 + pe = 2.501 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01276 Volume (L) = 1.02621 - Viscosity (mPa s) = 0.45016 + Viscosity (mPa s) = 0.46221 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.092e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.484e-14 + Total alkalinity (eq/kg) = -8.040e-13 Total CO2 (mol/kg) = 8.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.417e-14 + Electrical balance (eq) = 7.757e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.726622e+01 @@ -8284,8 +8196,8 @@ Reaction 1. H+ 9.367e-04 8.495e-04 -3.028 -3.071 -0.042 0.00 OH- 2.699e-10 2.407e-10 -9.569 -9.619 -0.050 -5.31 H2O 5.551e+01 9.853e-01 1.744 -0.006 0.000 17.92 -C(-4) 3.201e-26 - CH4 3.201e-26 3.210e-26 -25.495 -25.494 0.001 38.40 +C(-4) 2.130e-26 + CH4 2.130e-26 2.135e-26 -25.672 -25.671 0.001 38.40 C(4) 8.800e-01 CO2 8.100e-01 8.114e-01 -0.091 -0.091 0.001 35.66 (CO2)2 3.451e-02 3.460e-02 -1.462 -1.461 0.001 71.33 @@ -8295,25 +8207,24 @@ C(4) 8.800e-01 Cl 1.000e-02 Cl- 9.997e-03 8.924e-03 -2.000 -2.049 -0.049 18.27 HCl 2.991e-06 3.023e-06 -5.524 -5.520 0.005 (0) -H(0) 4.281e-15 - H2 2.141e-15 2.146e-15 -14.669 -14.668 0.001 28.34 +H(0) 3.866e-15 + H2 1.933e-15 1.938e-15 -14.714 -14.713 0.001 28.34 Na 1.000e-02 Na+ 9.984e-03 8.940e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.663e-05 1.671e-05 -4.779 -4.777 0.002 31.50 - NaOH 1.975e-22 1.980e-22 -21.704 -21.703 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.164 -52.163 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.075 -52.074 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.13 -25.49 -3.36 CH4 + CH4(g) -22.31 -25.67 -3.36 CH4 CO2(g) 2.06 -0.09 -2.15 CO2 - H2(g) -11.26 -14.67 -3.40 H2 + H2(g) -11.31 -14.71 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.79 -52.16 -3.37 O2 + O2(g) -48.70 -52.07 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8351,21 +8262,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.069 Charge balance - pe = 11.707 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2585 + pe = 11.694 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01284 Volume (L) = 1.02657 - Viscosity (mPa s) = 0.45017 + Viscosity (mPa s) = 0.46234 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.093e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.639e-14 + Total alkalinity (eq/kg) = -6.382e-14 Total CO2 (mol/kg) = 8.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.457e-14 + Electrical balance (eq) = 6.207e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.728622e+01 @@ -8378,7 +8289,7 @@ Reaction 1. OH- 2.685e-10 2.394e-10 -9.571 -9.621 -0.050 -5.31 H2O 5.551e+01 9.851e-01 1.744 -0.007 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.294 -99.293 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.188 -99.187 0.001 38.40 C(4) 8.900e-01 CO2 8.186e-01 8.199e-01 -0.087 -0.086 0.001 35.66 (CO2)2 3.525e-02 3.533e-02 -1.453 -1.452 0.001 71.33 @@ -8388,25 +8299,24 @@ C(4) 8.900e-01 Cl 1.000e-02 Cl- 9.997e-03 8.923e-03 -2.000 -2.049 -0.049 18.27 HCl 3.006e-06 3.038e-06 -5.522 -5.517 0.005 (0) -H(0) 1.516e-33 - H2 7.578e-34 7.597e-34 -33.120 -33.119 0.001 28.34 +H(0) 1.611e-33 + H2 8.053e-34 8.073e-34 -33.094 -33.093 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.940e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.671e-05 1.680e-05 -4.777 -4.775 0.002 31.50 - NaOH 1.964e-22 1.969e-22 -21.707 -21.706 0.001 (0) -O(0) 1.094e-15 - O2 5.468e-16 5.481e-16 -15.262 -15.261 0.001 31.28 +O(0) 9.684e-16 + O2 4.842e-16 4.854e-16 -15.315 -15.314 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -95.93 -99.29 -3.36 CH4 + CH4(g) -95.83 -99.19 -3.36 CH4 CO2(g) 2.06 -0.09 -2.15 CO2 - H2(g) -29.72 -33.12 -3.40 H2 + H2(g) -29.69 -33.09 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.89 -15.26 -3.37 O2 + O2(g) -11.94 -15.31 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8444,21 +8354,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.066 Charge balance - pe = 2.435 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2586 + pe = 2.417 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01292 Volume (L) = 1.02693 - Viscosity (mPa s) = 0.45017 + Viscosity (mPa s) = 0.46247 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.093e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.059e-13 + Total alkalinity (eq/kg) = -5.859e-13 Total CO2 (mol/kg) = 9.000e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.942e-13 + Electrical balance (eq) = 5.706e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.730622e+01 @@ -8470,8 +8380,8 @@ Reaction 1. H+ 9.464e-04 8.582e-04 -3.024 -3.066 -0.042 0.00 OH- 2.671e-10 2.382e-10 -9.573 -9.623 -0.050 -5.31 H2O 5.551e+01 9.850e-01 1.744 -0.007 0.000 17.92 -C(-4) 8.034e-26 - CH4 8.034e-26 8.054e-26 -25.095 -25.094 0.001 38.40 +C(-4) 1.122e-25 + CH4 1.122e-25 1.124e-25 -24.950 -24.949 0.001 38.40 C(4) 9.000e-01 CO2 8.271e-01 8.285e-01 -0.082 -0.082 0.001 35.66 (CO2)2 3.598e-02 3.607e-02 -1.444 -1.443 0.001 71.33 @@ -8481,25 +8391,24 @@ C(4) 9.000e-01 Cl 1.000e-02 Cl- 9.997e-03 8.923e-03 -2.000 -2.049 -0.049 18.27 HCl 3.021e-06 3.054e-06 -5.520 -5.515 0.005 (0) -H(0) 5.359e-15 - H2 2.680e-15 2.686e-15 -14.572 -14.571 0.001 28.34 +H(0) 5.826e-15 + H2 2.913e-15 2.920e-15 -14.536 -14.535 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.940e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.680e-05 1.688e-05 -4.775 -4.773 0.002 31.50 - NaOH 1.954e-22 1.959e-22 -21.709 -21.708 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.359 -52.358 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.432 -52.431 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.73 -25.09 -3.36 CH4 + CH4(g) -21.59 -24.95 -3.36 CH4 CO2(g) 2.07 -0.08 -2.15 CO2 - H2(g) -11.17 -14.57 -3.40 H2 + H2(g) -11.13 -14.53 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.99 -52.36 -3.37 O2 + O2(g) -49.06 -52.43 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8537,21 +8446,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.064 Charge balance - pe = 12.098 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2586 + pe = 12.578 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01300 Volume (L) = 1.02728 - Viscosity (mPa s) = 0.45017 + Viscosity (mPa s) = 0.46260 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.093e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.630e-14 + Total alkalinity (eq/kg) = -3.457e-14 Total CO2 (mol/kg) = 9.100e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 5.475e-14 + Electrical balance (eq) = 3.365e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 27 + Iterations = 28 Total H = 1.110124e+02 Total O = 5.732622e+01 @@ -8564,7 +8473,7 @@ Reaction 1. OH- 2.657e-10 2.369e-10 -9.576 -9.625 -0.050 -5.31 H2O 5.551e+01 9.848e-01 1.744 -0.007 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -102.381 -102.380 0.001 38.40 + CH4 0.000e+00 0.000e+00 -106.220 -106.219 0.001 38.40 C(4) 9.100e-01 CO2 8.356e-01 8.370e-01 -0.078 -0.077 0.001 35.66 (CO2)2 3.673e-02 3.682e-02 -1.435 -1.434 0.001 71.33 @@ -8574,25 +8483,24 @@ C(4) 9.100e-01 Cl 1.000e-02 Cl- 9.997e-03 8.923e-03 -2.000 -2.049 -0.049 18.27 HCl 3.036e-06 3.069e-06 -5.518 -5.513 0.005 (0) -H(0) 2.550e-34 - H2 1.275e-34 1.278e-34 -33.895 -33.893 0.001 28.34 +H(0) 2.797e-35 + H2 1.398e-35 1.402e-35 -34.854 -34.853 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.939e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.688e-05 1.697e-05 -4.773 -4.770 0.002 31.50 - NaOH 1.944e-22 1.949e-22 -21.711 -21.710 0.001 (0) -O(0) 3.862e-14 - O2 1.931e-14 1.936e-14 -13.714 -13.713 0.001 31.28 +O(0) 3.209e-12 + O2 1.605e-12 1.609e-12 -11.795 -11.794 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -99.02 -102.38 -3.36 CH4 + CH4(g) -102.86 -106.22 -3.36 CH4 CO2(g) 2.07 -0.08 -2.15 CO2 - H2(g) -30.49 -33.89 -3.40 H2 + H2(g) -31.45 -34.85 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -10.34 -13.71 -3.37 O2 + O2(g) -8.42 -11.79 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8630,19 +8538,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.062 Charge balance - pe = 11.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2587 + pe = 11.829 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01307 Volume (L) = 1.02764 - Viscosity (mPa s) = 0.45018 + Viscosity (mPa s) = 0.46274 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.094e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.652e-14 + Total alkalinity (eq/kg) = -8.265e-14 Total CO2 (mol/kg) = 9.200e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 3.553e-14 + Electrical balance (eq) = 8.037e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -8657,7 +8565,7 @@ Reaction 1. OH- 2.643e-10 2.357e-10 -9.578 -9.628 -0.050 -5.31 H2O 5.551e+01 9.846e-01 1.744 -0.007 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.244 -100.243 0.001 38.40 + CH4 0.000e+00 0.000e+00 -100.200 -100.199 0.001 38.40 C(4) 9.200e-01 CO2 8.441e-01 8.455e-01 -0.074 -0.073 0.001 35.66 (CO2)2 3.748e-02 3.757e-02 -1.426 -1.425 0.001 71.33 @@ -8667,25 +8575,24 @@ C(4) 9.200e-01 Cl 1.000e-02 Cl- 9.997e-03 8.923e-03 -2.000 -2.049 -0.049 18.27 HCl 3.052e-06 3.084e-06 -5.515 -5.511 0.005 (0) -H(0) 8.703e-34 - H2 4.352e-34 4.363e-34 -33.361 -33.360 0.001 28.34 +H(0) 8.923e-34 + H2 4.462e-34 4.473e-34 -33.350 -33.349 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.939e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.697e-05 1.705e-05 -4.770 -4.768 0.002 31.50 - NaOH 1.934e-22 1.939e-22 -21.714 -21.713 0.001 (0) -O(0) 3.313e-15 - O2 1.657e-15 1.661e-15 -14.781 -14.780 0.001 31.28 +O(0) 3.152e-15 + O2 1.576e-15 1.580e-15 -14.802 -14.801 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.88 -100.24 -3.36 CH4 + CH4(g) -96.84 -100.20 -3.36 CH4 CO2(g) 2.08 -0.07 -2.15 CO2 - H2(g) -29.96 -33.36 -3.40 H2 + H2(g) -29.95 -33.35 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.41 -14.78 -3.37 O2 + O2(g) -11.43 -14.80 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8723,21 +8630,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.060 Charge balance - pe = 2.783 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2588 + pe = 2.786 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01315 Volume (L) = 1.02800 - Viscosity (mPa s) = 0.45018 + Viscosity (mPa s) = 0.46287 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.094e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.724e-14 + Total alkalinity (eq/kg) = -3.284e-14 Total CO2 (mol/kg) = 9.300e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.682e-14 + Electrical balance (eq) = 3.197e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 35 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.736622e+01 @@ -8749,8 +8656,8 @@ Reaction 1. H+ 9.607e-04 8.711e-04 -3.017 -3.060 -0.042 0.00 OH- 2.630e-10 2.345e-10 -9.580 -9.630 -0.050 -5.31 H2O 5.551e+01 9.845e-01 1.744 -0.007 0.000 17.92 -C(-4) 1.537e-28 - CH4 1.537e-28 1.541e-28 -27.813 -27.812 0.001 38.40 +C(-4) 1.447e-28 + CH4 1.447e-28 1.451e-28 -27.839 -27.838 0.001 38.40 C(4) 9.300e-01 CO2 8.526e-01 8.540e-01 -0.069 -0.069 0.001 35.66 (CO2)2 3.824e-02 3.833e-02 -1.418 -1.416 0.001 71.33 @@ -8760,25 +8667,24 @@ C(4) 9.300e-01 Cl 1.000e-02 Cl- 9.997e-03 8.923e-03 -2.000 -2.050 -0.049 18.27 HCl 3.067e-06 3.100e-06 -5.513 -5.509 0.005 (0) -H(0) 1.112e-15 - H2 5.561e-16 5.575e-16 -15.255 -15.254 0.001 28.34 +H(0) 1.096e-15 + H2 5.478e-16 5.492e-16 -15.261 -15.260 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.939e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.705e-05 1.714e-05 -4.768 -4.766 0.002 31.50 - NaOH 1.924e-22 1.929e-22 -21.716 -21.715 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.994 -50.993 0.001 31.28 + O2 0.000e+00 0.000e+00 -50.981 -50.980 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -24.45 -27.81 -3.36 CH4 + CH4(g) -24.48 -27.84 -3.36 CH4 CO2(g) 2.08 -0.07 -2.15 CO2 - H2(g) -11.85 -15.25 -3.40 H2 + H2(g) -11.86 -15.26 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -47.62 -50.99 -3.37 O2 + O2(g) -47.61 -50.98 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8816,21 +8722,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.058 Charge balance - pe = 11.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2588 + pe = 11.809 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01323 Volume (L) = 1.02835 - Viscosity (mPa s) = 0.45019 + Viscosity (mPa s) = 0.46300 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.095e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.347e-14 + Total alkalinity (eq/kg) = -3.119e-14 Total CO2 (mol/kg) = 9.400e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 9.089e-14 + Electrical balance (eq) = 3.035e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.738622e+01 @@ -8843,7 +8749,7 @@ Reaction 1. OH- 2.617e-10 2.333e-10 -9.582 -9.632 -0.050 -5.31 H2O 5.551e+01 9.843e-01 1.744 -0.007 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -100.195 -100.193 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.997 -99.996 0.001 38.40 C(4) 9.400e-01 CO2 8.611e-01 8.625e-01 -0.065 -0.064 0.001 35.66 (CO2)2 3.900e-02 3.910e-02 -1.409 -1.408 0.001 71.33 @@ -8853,25 +8759,24 @@ C(4) 9.400e-01 Cl 1.000e-02 Cl- 9.997e-03 8.922e-03 -2.000 -2.050 -0.049 18.27 HCl 3.081e-06 3.115e-06 -5.511 -5.507 0.005 (0) -H(0) 8.907e-34 - H2 4.453e-34 4.465e-34 -33.351 -33.350 0.001 28.34 +H(0) 9.978e-34 + H2 4.989e-34 5.002e-34 -33.302 -33.301 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.939e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.713e-05 1.722e-05 -4.766 -4.764 0.002 31.50 - NaOH 1.914e-22 1.919e-22 -21.718 -21.717 0.001 (0) -O(0) 3.161e-15 - O2 1.581e-15 1.585e-15 -14.801 -14.800 0.001 31.28 +O(0) 2.519e-15 + O2 1.259e-15 1.263e-15 -14.900 -14.899 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.83 -100.19 -3.36 CH4 + CH4(g) -96.64 -100.00 -3.36 CH4 CO2(g) 2.09 -0.06 -2.15 CO2 - H2(g) -29.95 -33.35 -3.40 H2 + H2(g) -29.90 -33.30 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.43 -14.80 -3.37 O2 + O2(g) -11.53 -14.90 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8909,21 +8814,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.056 Charge balance - pe = 2.540 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2589 + pe = 2.591 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01330 Volume (L) = 1.02871 - Viscosity (mPa s) = 0.45019 + Viscosity (mPa s) = 0.46313 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.095e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.143e-16 + Total alkalinity (eq/kg) = -1.386e-13 Total CO2 (mol/kg) = 9.500e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 5.753e-16 + Electrical balance (eq) = 1.347e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.740622e+01 @@ -8935,8 +8840,8 @@ Reaction 1. H+ 9.700e-04 8.796e-04 -3.013 -3.056 -0.042 0.00 OH- 2.604e-10 2.322e-10 -9.584 -9.634 -0.050 -5.31 H2O 5.551e+01 9.842e-01 1.744 -0.007 0.000 17.92 -C(-4) 1.492e-26 - CH4 1.492e-26 1.496e-26 -25.826 -25.825 0.001 38.40 +C(-4) 5.778e-27 + CH4 5.778e-27 5.792e-27 -26.238 -26.237 0.001 38.40 C(4) 9.500e-01 CO2 8.695e-01 8.710e-01 -0.061 -0.060 0.001 35.66 (CO2)2 3.977e-02 3.987e-02 -1.400 -1.399 0.001 71.33 @@ -8946,25 +8851,24 @@ C(4) 9.500e-01 Cl 1.000e-02 Cl- 9.997e-03 8.922e-03 -2.000 -2.050 -0.049 18.27 HCl 3.096e-06 3.130e-06 -5.509 -5.505 0.005 (0) -H(0) 3.473e-15 - H2 1.737e-15 1.741e-15 -14.760 -14.759 0.001 28.34 +H(0) 2.740e-15 + H2 1.370e-15 1.373e-15 -14.863 -14.862 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.938e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.721e-05 1.730e-05 -4.764 -4.762 0.002 31.50 - NaOH 1.905e-22 1.909e-22 -21.720 -21.719 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.983 -51.982 0.001 31.28 + O2 0.000e+00 0.000e+00 -51.777 -51.776 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -22.46 -25.83 -3.36 CH4 + CH4(g) -22.88 -26.24 -3.36 CH4 CO2(g) 2.09 -0.06 -2.15 CO2 - H2(g) -11.36 -14.76 -3.40 H2 + H2(g) -11.46 -14.86 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.61 -51.98 -3.37 O2 + O2(g) -48.40 -51.78 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9002,21 +8906,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.054 Charge balance - pe = 11.789 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2590 + pe = 11.757 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01338 Volume (L) = 1.02907 - Viscosity (mPa s) = 0.45019 + Viscosity (mPa s) = 0.46326 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.096e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.152e-14 + Total alkalinity (eq/kg) = -5.458e-14 Total CO2 (mol/kg) = 9.600e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 6.953e-14 + Electrical balance (eq) = 5.310e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.742622e+01 @@ -9029,7 +8933,7 @@ Reaction 1. OH- 2.591e-10 2.310e-10 -9.587 -9.636 -0.050 -5.31 H2O 5.551e+01 9.840e-01 1.744 -0.007 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.800 -99.799 0.001 38.40 + CH4 0.000e+00 0.000e+00 -99.546 -99.545 0.001 38.40 C(4) 9.600e-01 CO2 8.780e-01 8.794e-01 -0.057 -0.056 0.001 35.66 (CO2)2 4.054e-02 4.065e-02 -1.392 -1.391 0.001 71.33 @@ -9039,25 +8943,24 @@ C(4) 9.600e-01 Cl 1.000e-02 Cl- 9.997e-03 8.922e-03 -2.000 -2.050 -0.049 18.27 HCl 3.111e-06 3.144e-06 -5.507 -5.502 0.005 (0) -H(0) 1.112e-33 - H2 5.562e-34 5.576e-34 -33.255 -33.254 0.001 28.34 +H(0) 1.287e-33 + H2 6.435e-34 6.451e-34 -33.191 -33.190 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.938e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.730e-05 1.738e-05 -4.762 -4.760 0.002 31.50 - NaOH 1.895e-22 1.900e-22 -21.722 -21.721 0.001 (0) -O(0) 2.026e-15 - O2 1.013e-15 1.015e-15 -14.994 -14.993 0.001 31.28 +O(0) 1.513e-15 + O2 7.566e-16 7.585e-16 -15.121 -15.120 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -96.44 -99.80 -3.36 CH4 + CH4(g) -96.18 -99.55 -3.36 CH4 CO2(g) 2.09 -0.06 -2.15 CO2 - H2(g) -29.85 -33.25 -3.40 H2 + H2(g) -29.79 -33.19 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.62 -14.99 -3.37 O2 + O2(g) -11.75 -15.12 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9095,21 +8998,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.052 Charge balance - pe = 2.470 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2590 + pe = 2.488 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01346 Volume (L) = 1.02942 - Viscosity (mPa s) = 0.45020 + Viscosity (mPa s) = 0.46339 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.096e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.265e-14 + Total alkalinity (eq/kg) = -9.150e-14 Total CO2 (mol/kg) = 9.700e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 2.206e-14 + Electrical balance (eq) = 8.897e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.744622e+01 @@ -9121,8 +9024,8 @@ Reaction 1. H+ 9.793e-04 8.880e-04 -3.009 -3.052 -0.043 0.00 OH- 2.579e-10 2.299e-10 -9.589 -9.638 -0.050 -5.31 H2O 5.551e+01 9.839e-01 1.744 -0.007 0.000 17.92 -C(-4) 5.935e-26 - CH4 5.935e-26 5.950e-26 -25.227 -25.225 0.001 38.40 +C(-4) 4.293e-26 + CH4 4.293e-26 4.304e-26 -25.367 -25.366 0.001 38.40 C(4) 9.700e-01 CO2 8.864e-01 8.879e-01 -0.052 -0.052 0.001 35.66 (CO2)2 4.133e-02 4.143e-02 -1.384 -1.383 0.001 71.33 @@ -9132,25 +9035,24 @@ C(4) 9.700e-01 Cl 1.000e-02 Cl- 9.997e-03 8.922e-03 -2.000 -2.050 -0.049 18.27 HCl 3.125e-06 3.159e-06 -5.505 -5.500 0.005 (0) -H(0) 4.881e-15 - H2 2.440e-15 2.447e-15 -14.613 -14.611 0.001 28.34 +H(0) 4.501e-15 + H2 2.251e-15 2.256e-15 -14.648 -14.647 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.938e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.738e-05 1.746e-05 -4.760 -4.758 0.002 31.50 - NaOH 1.886e-22 1.891e-22 -21.724 -21.723 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.279 -52.278 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.209 -52.208 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.86 -25.23 -3.36 CH4 + CH4(g) -22.01 -25.37 -3.36 CH4 CO2(g) 2.10 -0.05 -2.15 CO2 - H2(g) -11.21 -14.61 -3.40 H2 + H2(g) -11.24 -14.65 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -48.91 -52.28 -3.37 O2 + O2(g) -48.84 -52.21 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9188,21 +9090,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.050 Charge balance - pe = 11.735 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2591 + pe = 11.687 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01353 Volume (L) = 1.02978 - Viscosity (mPa s) = 0.45020 + Viscosity (mPa s) = 0.46352 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.097e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.157e-13 + Total alkalinity (eq/kg) = -4.495e-14 Total CO2 (mol/kg) = 9.800e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 1.125e-13 + Electrical balance (eq) = 4.372e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.746622e+01 @@ -9215,7 +9117,7 @@ Reaction 1. OH- 2.566e-10 2.288e-10 -9.591 -9.640 -0.050 -5.31 H2O 5.551e+01 9.837e-01 1.744 -0.007 0.000 17.92 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.329 -99.328 0.001 38.40 + CH4 0.000e+00 0.000e+00 -98.940 -98.939 0.001 38.40 C(4) 9.800e-01 CO2 8.948e-01 8.963e-01 -0.048 -0.048 0.001 35.66 (CO2)2 4.212e-02 4.222e-02 -1.376 -1.374 0.001 71.33 @@ -9225,25 +9127,24 @@ C(4) 9.800e-01 Cl 1.000e-02 Cl- 9.997e-03 8.922e-03 -2.000 -2.050 -0.049 18.27 HCl 3.140e-06 3.174e-06 -5.503 -5.498 0.005 (0) -H(0) 1.452e-33 - H2 7.258e-34 7.276e-34 -33.139 -33.138 0.001 28.34 +H(0) 1.816e-33 + H2 9.079e-34 9.102e-34 -33.042 -33.041 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.938e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.746e-05 1.755e-05 -4.758 -4.756 0.002 31.50 - NaOH 1.877e-22 1.882e-22 -21.727 -21.725 0.001 (0) -O(0) 1.189e-15 - O2 5.944e-16 5.959e-16 -15.226 -15.225 0.001 31.28 +O(0) 7.597e-16 + O2 3.798e-16 3.808e-16 -15.420 -15.419 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -95.97 -99.33 -3.36 CH4 + CH4(g) -95.58 -98.94 -3.36 CH4 CO2(g) 2.10 -0.05 -2.15 CO2 - H2(g) -29.73 -33.14 -3.40 H2 + H2(g) -29.64 -33.04 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -11.85 -15.22 -3.37 O2 + O2(g) -12.05 -15.42 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9281,21 +9182,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.048 Charge balance - pe = 2.430 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2592 + pe = 2.411 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2518 Density (g/cm³) = 1.01361 Volume (L) = 1.03014 - Viscosity (mPa s) = 0.45021 + Viscosity (mPa s) = 0.46365 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.097e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.026e-14 + Total alkalinity (eq/kg) = -2.711e-14 Total CO2 (mol/kg) = 9.900e-01 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 5.861e-14 + Electrical balance (eq) = 2.638e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.748622e+01 @@ -9307,8 +9208,8 @@ Reaction 1. H+ 9.884e-04 8.962e-04 -3.005 -3.048 -0.043 0.00 OH- 2.554e-10 2.277e-10 -9.593 -9.643 -0.050 -5.31 H2O 5.551e+01 9.835e-01 1.744 -0.007 0.000 17.92 -C(-4) 1.350e-25 - CH4 1.350e-25 1.354e-25 -24.870 -24.868 0.001 38.40 +C(-4) 1.940e-25 + CH4 1.940e-25 1.945e-25 -24.712 -24.711 0.001 38.40 C(4) 9.900e-01 CO2 9.032e-01 9.047e-01 -0.044 -0.043 0.001 35.66 (CO2)2 4.291e-02 4.302e-02 -1.367 -1.366 0.001 71.33 @@ -9318,25 +9219,24 @@ C(4) 9.900e-01 Cl 1.000e-02 Cl- 9.997e-03 8.921e-03 -2.000 -2.050 -0.049 18.27 HCl 3.154e-06 3.188e-06 -5.501 -5.496 0.005 (0) -H(0) 5.965e-15 - H2 2.983e-15 2.990e-15 -14.525 -14.524 0.001 28.34 +H(0) 6.531e-15 + H2 3.265e-15 3.274e-15 -14.486 -14.485 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.937e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.754e-05 1.763e-05 -4.756 -4.754 0.002 31.50 - NaOH 1.868e-22 1.873e-22 -21.729 -21.728 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.454 -52.453 0.001 31.28 + O2 0.000e+00 0.000e+00 -52.532 -52.531 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -21.51 -24.87 -3.36 CH4 + CH4(g) -21.35 -24.71 -3.36 CH4 CO2(g) 2.11 -0.04 -2.15 CO2 - H2(g) -11.12 -14.52 -3.40 H2 + H2(g) -11.08 -14.48 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -49.08 -52.45 -3.37 O2 + O2(g) -49.16 -52.53 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9374,21 +9274,21 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.046 Charge balance - pe = 3.060 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2592 + pe = 11.957 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 65°C) = 2517 Density (g/cm³) = 1.01369 Volume (L) = 1.03049 - Viscosity (mPa s) = 0.45021 + Viscosity (mPa s) = 0.46378 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.098e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.438e-14 + Total alkalinity (eq/kg) = -1.693e-13 Total CO2 (mol/kg) = 1.000e+00 Temperature (°C) = 65.00 Pressure (atm) = 600.00 - Electrical balance (eq) = 4.315e-14 + Electrical balance (eq) = 1.646e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.750622e+01 @@ -9400,8 +9300,8 @@ Reaction 1. H+ 9.929e-04 9.003e-04 -3.003 -3.046 -0.043 0.00 OH- 2.542e-10 2.267e-10 -9.595 -9.645 -0.050 -5.31 H2O 5.551e+01 9.834e-01 1.744 -0.007 0.000 17.92 -C(-4) 1.306e-30 - CH4 1.306e-30 1.309e-30 -29.884 -29.883 0.001 38.40 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -101.065 -101.064 0.001 38.40 C(4) 1.000e+00 CO2 9.116e-01 9.131e-01 -0.040 -0.039 0.001 35.66 (CO2)2 4.371e-02 4.382e-02 -1.359 -1.358 0.001 71.33 @@ -9411,25 +9311,24 @@ C(4) 1.000e+00 Cl 1.000e-02 Cl- 9.997e-03 8.921e-03 -2.000 -2.050 -0.049 18.27 HCl 3.169e-06 3.203e-06 -5.499 -5.494 0.005 (0) -H(0) 3.319e-16 - H2 1.659e-16 1.663e-16 -15.780 -15.779 0.001 28.34 +H(0) 5.318e-34 + H2 2.659e-34 2.666e-34 -33.575 -33.574 0.001 28.34 Na 1.000e-02 Na+ 9.983e-03 8.937e-03 -2.001 -2.049 -0.048 1.45 NaHCO3 1.762e-05 1.771e-05 -4.754 -4.752 0.002 31.50 - NaOH 1.859e-22 1.864e-22 -21.731 -21.730 0.001 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.944 -49.943 0.001 31.28 +O(0) 8.850e-15 + O2 4.425e-15 4.436e-15 -14.354 -14.353 0.001 31.28 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 600 atm) - CH4(g) -26.52 -29.88 -3.36 CH4 + CH4(g) -97.70 -101.06 -3.36 CH4 CO2(g) 2.11 -0.04 -2.15 CO2 - H2(g) -12.38 -15.78 -3.40 H2 + H2(g) -30.17 -33.57 -3.40 H2 H2O(g) -0.45 -0.01 0.44 H2O Halite -5.77 -4.10 1.67 NaCl - O2(g) -46.57 -49.94 -3.37 O2 + O2(g) -10.98 -14.35 -3.37 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/HighTPwaterGas_101.sel b/mytest/HighTPwaterGas_101.sel index c5c487040..985c3b33a 100644 --- a/mytest/HighTPwaterGas_101.sel +++ b/mytest/HighTPwaterGas_101.sel @@ -1,102 +1,102 @@ Mu SC - 0.010000393529 2186.4316209163 - 0.010102055293 2277.1847629768 - 0.010144486437 2300.0438558235 - 0.010176995625 2317.1407098049 - 0.010204359229 2331.2436221047 - 0.010228428668 2343.4265038325 - 0.010250154113 2354.2409252977 - 0.010270100394 2364.0150176262 - 0.010288635781 2372.9628837282 - 0.010306016246 2381.2334547383 - 0.010322428292 2388.9353233535 - 0.010338012809 2396.1505874546 - 0.010352879332 2402.9431219958 - 0.010367115029 2409.3637978387 - 0.010380790625 2415.4539215931 - 0.010393964448 2421.2475861337 - 0.010406685282 2426.7733260541 - 0.010418994418 2432.0553140022 - 0.010430927181 2437.1142446000 - 0.010442514071 2441.9680003002 - 0.010453781643 2446.6321615586 - 0.010464753185 2451.1204036536 - 0.010475449257 2455.4448095247 - 0.010485888122 2459.6161193889 - 0.010496086088 2463.6439320767 - 0.010506057793 2467.5368691246 - 0.010515816431 2471.3027095492 - 0.010525373950 2474.9485017181 - 0.010534741210 2478.4806565878 - 0.010543928114 2481.9050266029 - 0.010552943727 2485.2269709754 - 0.010561796369 2488.4514143086 - 0.010570493701 2491.5828935131 - 0.010579042795 2494.6255996158 - 0.010587450195 2497.5834145804 - 0.010595721973 2500.4599425056 - 0.010603863772 2503.2585361842 - 0.010611880852 2505.9823226641 - 0.010619778122 2508.6342228292 - 0.010627560175 2511.2169708565 - 0.010635231313 2513.7331305565 - 0.010642795575 2516.1851099955 - 0.010650256755 2518.5751746924 - 0.010657618430 2520.9054592277 - 0.010664883967 2523.1779776208 - 0.010672056550 2525.3946330837 - 0.010679139186 2527.5572261677 - 0.010686134722 2529.6674626087 - 0.010693045859 2531.7269602345 - 0.010699875155 2533.7372552668 - 0.010706625044 2535.6998080487 - 0.010713297839 2537.6160082636 - 0.010719895742 2539.4871796996 - 0.010726420850 2541.3145846000 - 0.010732875165 2543.0994276816 - 0.010739260596 2544.8428596996 - 0.010745578967 2546.5459809902 - 0.010751832025 2548.2098443964 - 0.010758021438 2549.8354582233 - 0.010764148806 2551.4237887928 - 0.010770215662 2552.9757630148 - 0.010776223476 2554.4922705128 - 0.010782173658 2555.9741657846 - 0.010788067565 2557.4222701294 - 0.010793906499 2558.8373734613 - 0.010799691713 2560.2202359827 - 0.010805424412 2561.5715897556 - 0.010811105758 2562.8921401598 - 0.010816736868 2564.1825672584 - 0.010822318821 2565.4435270722 - 0.010827852657 2566.6756527718 - 0.010833339379 2567.8795557969 - 0.010838779957 2569.0558268999 - 0.010844175326 2570.2050371340 - 0.010849526391 2571.3277387710 - 0.010854834027 2572.4244661726 - 0.010860099080 2573.4957366043 - 0.010865322369 2574.5420510071 - 0.010870504687 2575.5638947639 - 0.010875646802 2576.5617381591 - 0.010880749458 2577.5360374736 - 0.010885813377 2578.4872351417 - 0.010890839259 2579.4157605594 - 0.010895827783 2580.3220305722 - 0.010900779608 2581.2064500008 - 0.010905695372 2582.0694121278 - 0.010910575699 2582.9112991506 - 0.010915421191 2583.7324826391 - 0.010920232435 2584.5333239366 - 0.010925010001 2585.3141745618 - 0.010929754445 2586.0753766569 - 0.010934466307 2586.8172629672 - 0.010939146110 2587.5401579527 - 0.010943794368 2588.2443773340 - 0.010948411577 2588.9302287980 - 0.010952998222 2589.5980121755 - 0.010957554776 2590.2480198031 - 0.010962081699 2590.8805366866 - 0.010966579441 2591.4958408571 - 0.010971048438 2592.0942035164 - 0.010975489118 2592.6758893640 + 0.010000393529 2186.4316063939 + 0.010102055293 2276.0845747101 + 0.010144486437 2298.1077325356 + 0.010176995625 2314.4503798835 + 0.010204359229 2327.8323574739 + 0.010228428668 2339.3098538010 + 0.010250154113 2349.4264374802 + 0.010270100394 2358.5061322900 + 0.010288635781 2366.7607496404 + 0.010306016246 2374.3378695432 + 0.010322428292 2381.3452597344 + 0.010338012809 2387.8645049561 + 0.010352879332 2393.9591604066 + 0.010367115029 2399.6799013470 + 0.010380790625 2405.0679207394 + 0.010393964448 2410.1572530636 + 0.010406685282 2414.9764123742 + 0.010418994418 2419.5495769957 + 0.010430927181 2423.8974655049 + 0.010442514071 2428.0379970594 + 0.010453781643 2431.9867976700 + 0.010464753185 2435.7575942359 + 0.010475449257 2439.3625253621 + 0.010485888122 2442.8123895113 + 0.010496086088 2446.1168452752 + 0.010506057793 2449.2845746429 + 0.010515816431 2452.3234172576 + 0.010525373950 2455.2404817639 + 0.010534741210 2458.0422388429 + 0.010543928114 2460.7345995528 + 0.010552943727 2463.3229815410 + 0.010561796369 2465.8123656945 + 0.010570493701 2468.2073442182 + 0.010579042795 2470.5121629023 + 0.010587450195 2472.7307565974 + 0.010595721973 2474.8667808955 + 0.010603863772 2476.9236393290 + 0.010611880852 2478.9045078726 + 0.010619778122 2480.8123551533 + 0.010627560175 2482.6499622371 + 0.010635231313 2484.4199382800 + 0.010642795575 2486.1247355764 + 0.010650256755 2487.7666627274 + 0.010657618430 2489.3478962323 + 0.010664883967 2490.8704910716 + 0.010672056550 2492.3363901496 + 0.010679139186 2493.7474328194 + 0.010686134722 2495.1053625904 + 0.010693045859 2496.4118340608 + 0.010699875155 2497.6684193431 + 0.010706625044 2498.8766137233 + 0.010713297839 2500.0378409552 + 0.010719895742 2501.1534580510 + 0.010726420850 2502.2247596535 + 0.010732875165 2503.2529820583 + 0.010739260596 2504.2393068997 + 0.010745578967 2505.1848645411 + 0.010751832025 2506.0907371957 + 0.010758021438 2506.9579618064 + 0.010764148806 2507.7875327096 + 0.010770215662 2508.5804040773 + 0.010776223476 2509.3374922288 + 0.010782173658 2510.0596777122 + 0.010788067565 2510.7478072866 + 0.010793906499 2511.4026957190 + 0.010799691713 2512.0251275336 + 0.010805424412 2512.6158585452 + 0.010811105758 2513.1756173564 + 0.010816736868 2513.7051067657 + 0.010822318821 2514.2050049252 + 0.010827852657 2514.6759668040 + 0.010833339379 2515.1186250451 + 0.010838779957 2515.5335912073 + 0.010844175326 2515.9214566700 + 0.010849526391 2516.2827936126 + 0.010854834027 2516.6181558922 + 0.010860099080 2516.9280797949 + 0.010865322369 2517.2130849786 + 0.010870504687 2517.4736750488 + 0.010875646802 2517.7103383873 + 0.010880749458 2517.9235484457 + 0.010885813377 2518.1137651114 + 0.010890839259 2518.2814345164 + 0.010895827783 2518.4269899847 + 0.010900779608 2518.5508524871 + 0.010905695372 2518.6534311260 + 0.010910575699 2518.7351236215 + 0.010915421191 2518.7963166966 + 0.010920232435 2518.8373867554 + 0.010925010001 2518.8586995291 + 0.010929754445 2518.8606118646 + 0.010934466307 2518.8434703826 + 0.010939146110 2518.8076133582 + 0.010943794368 2518.7533699674 + 0.010948411577 2518.6810611523 + 0.010952998222 2518.5909997612 + 0.010957554776 2518.4834907836 + 0.010962081699 2518.3588317994 + 0.010966579441 2518.2173130347 + 0.010971048438 2518.0592177632 + 0.010975489117 2517.8848224903 diff --git a/mytest/IL_flux.out b/mytest/IL_flux.out index 15dd4fa40..475bbb5b1 100644 --- a/mytest/IL_flux.out +++ b/mytest/IL_flux.out @@ -150,7 +150,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 @@ -237,7 +236,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -325,7 +323,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -479,7 +476,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -556,7 +552,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -625,7 +620,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -705,7 +699,6 @@ H(0) 3.476e-28 H2 1.738e-28 1.778e-28 -27.760 -27.750 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 2.559e-37 O2 1.280e-37 1.309e-37 -36.893 -36.883 0.010 30.40 @@ -790,7 +783,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -858,7 +850,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.495e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.756e-14 + Electrical balance (eq) = -7.719e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 2 Total H = 5.550622e+01 @@ -883,7 +875,6 @@ Hto 7.999e-07 Hto 7.999e-07 7.999e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 7.994e-07 Na_tr+ 7.994e-07 7.994e-07 -6.097 -6.097 -0.000 (0) O(0) 5.404e-10 @@ -951,7 +942,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.067e-14 + Electrical balance (eq) = -9.040e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 2 Total H = 5.550622e+01 @@ -976,7 +967,6 @@ Hto 3.999e-07 Hto 3.999e-07 3.999e-07 -6.398 -6.398 0.000 (0) Na 9.998e-02 Na+ 9.998e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 3.990e-07 Na_tr+ 3.990e-07 3.990e-07 -6.399 -6.399 -0.000 (0) O(0) 4.915e-10 @@ -1055,7 +1045,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.482e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.067e-13 + Electrical balance (eq) = -1.064e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -1080,7 +1070,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 4.633e-10 @@ -1169,7 +1158,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -1237,7 +1225,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.491e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.905e-14 + Electrical balance (eq) = 1.914e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 5.550622e+01 @@ -1262,7 +1250,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.644e-10 @@ -1330,7 +1317,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.481e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.275e-14 + Electrical balance (eq) = -7.239e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 5.550622e+01 @@ -1355,7 +1342,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.997e-02 Na+ 9.997e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.572e-10 @@ -1434,7 +1420,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.469e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.069e-13 + Electrical balance (eq) = -1.066e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -1459,7 +1445,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.995e-02 Na+ 9.995e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.723e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.530e-10 @@ -1548,7 +1533,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -1616,7 +1600,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.797e-14 + Electrical balance (eq) = 1.819e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 5.550622e+01 @@ -1641,7 +1625,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.681e-10 @@ -1709,7 +1692,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.478e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.979e-14 + Electrical balance (eq) = -7.954e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 5.550622e+01 @@ -1734,7 +1717,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.670e-10 @@ -1813,7 +1795,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.465e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.070e-13 + Electrical balance (eq) = -1.067e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -1838,7 +1820,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.663e-10 @@ -1927,7 +1908,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -1995,7 +1975,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.794e-14 + Electrical balance (eq) = 1.819e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 5.550622e+01 @@ -2020,7 +2000,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.686e-10 @@ -2088,7 +2067,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.477e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.030e-14 + Electrical balance (eq) = -8.011e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 5.550622e+01 @@ -2113,7 +2092,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.684e-10 @@ -2192,7 +2170,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.464e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.070e-13 + Electrical balance (eq) = -1.066e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -2217,7 +2195,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.683e-10 @@ -2306,7 +2283,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -2374,7 +2350,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.802e-14 + Electrical balance (eq) = 1.838e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 5.550622e+01 @@ -2399,7 +2375,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.686e-10 @@ -2467,7 +2442,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.477e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.035e-14 + Electrical balance (eq) = -8.021e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 5.550622e+01 @@ -2492,7 +2467,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.686e-10 @@ -2571,7 +2545,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.464e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.073e-13 + Electrical balance (eq) = -1.071e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -2596,7 +2570,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.686e-10 @@ -2685,7 +2658,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -2753,7 +2725,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.808e-14 + Electrical balance (eq) = 1.842e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550622e+01 @@ -2778,7 +2750,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.687e-10 @@ -2846,7 +2817,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.477e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.035e-14 + Electrical balance (eq) = -8.032e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550622e+01 @@ -2871,7 +2842,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.687e-10 @@ -2975,7 +2945,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.687e-10 @@ -3064,7 +3033,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -3132,7 +3100,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.807e-14 + Electrical balance (eq) = 1.844e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550622e+01 @@ -3157,7 +3125,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.687e-10 @@ -3225,7 +3192,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.477e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.028e-14 + Electrical balance (eq) = -8.023e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550622e+01 @@ -3250,7 +3217,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.687e-10 @@ -3354,7 +3320,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.686e-10 @@ -3443,7 +3408,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -3511,7 +3475,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.806e-14 + Electrical balance (eq) = 1.841e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550622e+01 @@ -3536,7 +3500,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.687e-10 @@ -3604,7 +3567,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.477e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.032e-14 + Electrical balance (eq) = -8.021e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550622e+01 @@ -3629,7 +3592,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.687e-10 @@ -3708,7 +3670,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.464e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.097e-13 + Electrical balance (eq) = -1.087e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -3733,7 +3695,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.686e-10 @@ -3822,7 +3783,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -3890,7 +3850,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.806e-14 + Electrical balance (eq) = 1.841e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550622e+01 @@ -3915,7 +3875,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.687e-10 @@ -3983,7 +3942,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.477e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.032e-14 + Electrical balance (eq) = -8.021e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550622e+01 @@ -4008,7 +3967,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.687e-10 @@ -4087,7 +4045,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.464e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.097e-13 + Electrical balance (eq) = -1.092e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -4112,7 +4070,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.686e-10 @@ -4201,7 +4158,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.727e-19 7.907e-19 -18.112 -18.102 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 5.687e-10 @@ -4269,7 +4225,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.490e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.806e-14 + Electrical balance (eq) = 1.841e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550622e+01 @@ -4294,7 +4250,6 @@ Hto 8.000e-07 Hto 8.000e-07 8.000e-07 -6.097 -6.097 0.000 (0) Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.726e-19 7.906e-19 -18.112 -18.102 0.010 (0) Na_tr 7.999e-07 Na_tr+ 7.999e-07 7.999e-07 -6.097 -6.097 -0.000 (0) O(0) 5.687e-10 @@ -4362,7 +4317,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.477e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.032e-14 + Electrical balance (eq) = -8.021e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550622e+01 @@ -4387,7 +4342,6 @@ Hto 4.000e-07 Hto 4.000e-07 4.000e-07 -6.398 -6.398 0.000 (0) Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.724e-19 7.904e-19 -18.112 -18.102 0.010 (0) Na_tr 3.999e-07 Na_tr+ 3.999e-07 3.999e-07 -6.398 -6.398 -0.000 (0) O(0) 5.687e-10 @@ -4429,7 +4383,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta A_cl 0.00 -14.00 -14.00 1.060e-05 1.180e-05 1.200e-06 A_hto 0.00 -15.00 -15.00 1.060e-05 1.180e-05 1.200e-06 A_na 0.00 -14.00 -14.00 1.634e-05 1.820e-05 1.860e-06 -A_sr 0.00 -14.00 -14.00 2.435e-04 2.715e-04 2.798e-05 +A_sr -0.00 -14.00 -14.00 2.435e-04 2.715e-04 2.798e-05 -----------------------------Exchange composition------------------------------ @@ -4466,7 +4420,7 @@ X 5.000e-02 mol Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 8.464e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.104e-13 + Electrical balance (eq) = -1.096e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 5.550622e+01 @@ -4491,7 +4445,6 @@ Hto 1.000e-15 Hto 1.000e-15 1.000e-15 -15.000 -15.000 0.000 (0) Na 9.994e-02 Na+ 9.994e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.722e-19 7.902e-19 -18.112 -18.102 0.010 (0) Na_tr 1.305e-13 Na_tr+ 1.305e-13 1.305e-13 -12.884 -12.884 -0.000 (0) O(0) 5.686e-10 @@ -4506,7 +4459,7 @@ Sr_tr 1.704e-12 A_cl 0.00 -14.00 -14.00 NaCl_tr A_hto 0.00 -15.00 -15.00 Hto A_na 0.00 -14.00 -14.00 Na_trCl - A_sr 0.00 -14.00 -14.00 Sr_trCl2 + A_sr -0.00 -14.00 -14.00 Sr_trCl2 H2(g) -38.32 -41.42 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl @@ -4577,7 +4530,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.749e-04 -3.000 -3.011 -0.011 -1.49 - NaOH 9.866e-21 9.868e-21 -20.006 -20.006 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -4661,7 +4613,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.749e-04 -3.000 -3.011 -0.011 -1.49 - NaOH 9.866e-21 9.868e-21 -20.006 -20.006 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -4748,7 +4699,6 @@ Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) Na_tr 1.000e-06 Na_tr+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 diff --git a/mytest/IL_flux_101.sel b/mytest/IL_flux_101.sel index a0d9a4c21..037494336 100644 --- a/mytest/IL_flux_101.sel +++ b/mytest/IL_flux_101.sel @@ -1,68 +1,68 @@ Mu SC - 0.100004121159 10609.1414669187 - 0.100000121159 10609.0349322607 - 0.100000121159 10609.0349322602 - 0.100000121159 10609.0349322601 - 0.100004120949 10609.1414782408 - 0.100000121159 10609.0349322601 - 0.100000121159 10609.0349322601 - 0.100000121159 10609.0349322611 - 0.100004120949 10609.1414782408 - 0.099997638463 10608.5571511523 - 0.099982958134 10607.2172501060 - 0.099963448619 10605.3965377080 - 0.100004120949 10609.1414782408 - 0.099992875247 10608.0839223840 - 0.099969807273 10605.9114321719 - 0.099945162318 10603.5822396656 - 0.100004120949 10609.1414782408 - 0.099991374123 10607.9349899039 - 0.099965704920 10605.5044133256 - 0.099939555575 10603.0259538943 - 0.100004120949 10609.1414782408 - 0.099990917195 10607.8896578465 - 0.099964456562 10605.3805587257 - 0.099937850264 10602.8567571172 - 0.100004120949 10609.1414782408 - 0.099990783002 10607.8763444805 - 0.099964079314 10605.3431304800 - 0.099937332933 10602.8054287632 - 0.100004120949 10609.1414782408 - 0.099990751256 10607.8731949627 - 0.099963985219 10605.3337949147 - 0.099937191658 10602.7914117796 - 0.100004120949 10609.1414782408 - 0.099990746175 10607.8726908286 - 0.099963969162 10605.3322018368 - 0.099937165529 10602.7888193187 - 0.100004120949 10609.1414782408 - 0.099990745162 10607.8725904192 - 0.099963967161 10605.3320033446 - 0.099937161318 10602.7884014740 - 0.100004120949 10609.1414782408 - 0.099990745162 10607.8725904192 - 0.099963967161 10605.3320033446 - 0.099937161206 10602.7883903500 - 0.100004120949 10609.1414782408 - 0.099990745162 10607.8725904192 - 0.099963967161 10605.3320033446 - 0.099937161205 10602.7883902266 - 0.000500103167 48.8137552054 - 0.000500103167 48.8137552054 - 0.000500103167 48.8137552054 - 0.100004121159 10609.1414669187 - 0.100000121159 10609.0349322607 - 0.100000121159 10609.0349322602 - 0.100000121159 10609.0349322601 - 0.100000121159 10609.0349322601 - 0.100000121159 10609.0349322611 - 0.099977405957 10606.7812810623 - 0.099955972005 10604.6547074013 - 0.099945764691 10603.6419730082 - 0.099941075508 10603.1767255752 - 0.099938931239 10602.9639766322 - 0.099937952209 10602.8668395834 - 0.099937506233 10602.8225909592 - 0.099937304085 10602.8025342790 - 0.099937213465 10602.7935431903 - 0.099937173859 10602.7896135775 + 0.100004121159 10609.1414389128 + 0.100000121159 10609.0349042555 + 0.100000121159 10609.0349042550 + 0.100000121159 10609.0349042549 + 0.100004120949 10609.1414502785 + 0.100000121159 10609.0349042549 + 0.100000121159 10609.0349042549 + 0.100000121159 10609.0349042558 + 0.100004120949 10609.1414502785 + 0.099997638463 10608.5571231954 + 0.099982958134 10607.2172221613 + 0.099963448620 10605.3965097792 + 0.100004120949 10609.1414502785 + 0.099992875247 10608.0838944305 + 0.099969807273 10605.9114042366 + 0.099945162319 10603.5822117494 + 0.100004120949 10609.1414502785 + 0.099991374123 10607.9349619514 + 0.099965704920 10605.5043853930 + 0.099939555575 10603.0259259818 + 0.100004120949 10609.1414502785 + 0.099990917195 10607.8896298944 + 0.099964456562 10605.3805307939 + 0.099937850264 10602.8567292058 + 0.100004120949 10609.1414502785 + 0.099990783002 10607.8763165285 + 0.099964079314 10605.3431025485 + 0.099937332934 10602.8054008522 + 0.100004120949 10609.1414502785 + 0.099990751256 10607.8731670106 + 0.099963985219 10605.3337669832 + 0.099937191659 10602.7913838687 + 0.100004120949 10609.1414502785 + 0.099990746175 10607.8726628765 + 0.099963969162 10605.3321739054 + 0.099937165530 10602.7887914078 + 0.100004120949 10609.1414502785 + 0.099990745162 10607.8725624671 + 0.099963967162 10605.3319754132 + 0.099937161318 10602.7883735631 + 0.100004120949 10609.1414502785 + 0.099990745162 10607.8725624671 + 0.099963967162 10605.3319754132 + 0.099937161206 10602.7883624391 + 0.100004120949 10609.1414502785 + 0.099990745162 10607.8725624671 + 0.099963967162 10605.3319754132 + 0.099937161205 10602.7883623157 + 0.000500103167 48.8135078111 + 0.000500103167 48.8135078111 + 0.000500103167 48.8135078111 + 0.100004121159 10609.1414389128 + 0.100000121159 10609.0349042555 + 0.100000121159 10609.0349042550 + 0.100000121159 10609.0349042549 + 0.100000121159 10609.0349042549 + 0.100000121159 10609.0349042558 + 0.099977405956 10606.7812529951 + 0.099955972005 10604.6546793762 + 0.099945764691 10603.6419450004 + 0.099941075508 10603.1766975753 + 0.099938931239 10602.9639486359 + 0.099937952209 10602.8668115887 + 0.099937506234 10602.8225629653 + 0.099937304085 10602.8025062854 + 0.099937213466 10602.7935151969 + 0.099937173860 10602.7895855841 diff --git a/mytest/Ilulissat_diff3.out b/mytest/Ilulissat_diff3.out index 7e8c18c0e..d9a2ac510 100644 --- a/mytest/Ilulissat_diff3.out +++ b/mytest/Ilulissat_diff3.out @@ -154,7 +154,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.315 -40.315 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.757e-21 9.759e-21 -20.011 -20.011 0.000 (0) O(0) 3.558e-12 O2 1.779e-12 1.779e-12 -11.750 -11.750 0.000 30.40 @@ -386,7 +385,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.757e-21 9.759e-21 -20.011 -20.011 0.000 (0) O(0) 9.687e-12 O2 4.844e-12 4.845e-12 -11.315 -11.315 0.000 30.40 @@ -466,7 +464,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.757e-21 9.759e-21 -20.011 -20.011 0.000 (0) O(0) 9.687e-12 O2 4.844e-12 4.845e-12 -11.315 -11.315 0.000 30.40 @@ -552,7 +549,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.533 -40.532 0.000 28.61 Na 2.000e-03 Na+ 2.000e-03 1.904e-03 -2.699 -2.720 -0.021 -1.46 - NaOH 1.923e-20 1.924e-20 -19.716 -19.716 0.000 (0) O(0) 9.673e-12 O2 4.837e-12 4.839e-12 -11.315 -11.315 0.000 30.40 @@ -632,7 +628,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.533 -40.532 0.000 28.61 Na 2.000e-03 Na+ 2.000e-03 1.904e-03 -2.699 -2.720 -0.021 -1.46 - NaOH 1.923e-20 1.924e-20 -19.716 -19.716 0.000 (0) O(0) 9.673e-12 O2 4.837e-12 4.839e-12 -11.315 -11.315 0.000 30.40 @@ -718,7 +713,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.532 0.000 28.61 Na 3.000e-03 Na+ 3.000e-03 2.827e-03 -2.523 -2.549 -0.026 -1.44 - NaOH 2.852e-20 2.854e-20 -19.545 -19.544 0.000 (0) O(0) 9.659e-12 O2 4.830e-12 4.833e-12 -11.316 -11.316 0.000 30.40 @@ -798,7 +792,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.532 0.000 28.61 Na 3.000e-03 Na+ 3.000e-03 2.827e-03 -2.523 -2.549 -0.026 -1.44 - NaOH 2.852e-20 2.854e-20 -19.545 -19.544 0.000 (0) O(0) 9.659e-12 O2 4.830e-12 4.833e-12 -11.316 -11.316 0.000 30.40 @@ -884,7 +877,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.532 0.000 28.61 Na 4.000e-03 Na+ 4.000e-03 3.738e-03 -2.398 -2.427 -0.029 -1.43 - NaOH 3.768e-20 3.772e-20 -19.424 -19.423 0.000 (0) O(0) 9.645e-12 O2 4.822e-12 4.827e-12 -11.317 -11.316 0.000 30.40 @@ -964,7 +956,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.532 0.000 28.61 Na 4.000e-03 Na+ 4.000e-03 3.738e-03 -2.398 -2.427 -0.029 -1.43 - NaOH 3.768e-20 3.772e-20 -19.424 -19.423 0.000 (0) O(0) 9.645e-12 O2 4.822e-12 4.827e-12 -11.317 -11.316 0.000 30.40 @@ -1050,7 +1041,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 5.000e-03 Na+ 5.000e-03 4.639e-03 -2.301 -2.334 -0.033 -1.42 - NaOH 4.672e-20 4.678e-20 -19.330 -19.330 0.001 (0) O(0) 9.623e-12 O2 4.812e-12 4.817e-12 -11.318 -11.317 0.001 30.40 @@ -1130,7 +1120,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 5.000e-03 Na+ 5.000e-03 4.639e-03 -2.301 -2.334 -0.033 -1.42 - NaOH 4.672e-20 4.678e-20 -19.330 -19.330 0.001 (0) O(0) 9.623e-12 O2 4.812e-12 4.817e-12 -11.318 -11.317 0.001 30.40 @@ -1216,7 +1205,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 6.000e-03 Na+ 6.000e-03 5.532e-03 -2.222 -2.257 -0.035 -1.41 - NaOH 5.566e-20 5.574e-20 -19.254 -19.254 0.001 (0) O(0) 9.616e-12 O2 4.808e-12 4.815e-12 -11.318 -11.317 0.001 30.40 @@ -1296,7 +1284,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 6.000e-03 Na+ 6.000e-03 5.532e-03 -2.222 -2.257 -0.035 -1.41 - NaOH 5.566e-20 5.574e-20 -19.254 -19.254 0.001 (0) O(0) 9.616e-12 O2 4.808e-12 4.815e-12 -11.318 -11.317 0.001 30.40 @@ -1382,7 +1369,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 7.000e-03 Na+ 7.000e-03 6.417e-03 -2.155 -2.193 -0.038 -1.40 - NaOH 6.452e-20 6.462e-20 -19.190 -19.190 0.001 (0) O(0) 9.602e-12 O2 4.801e-12 4.809e-12 -11.319 -11.318 0.001 30.40 @@ -1462,7 +1448,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 7.000e-03 Na+ 7.000e-03 6.417e-03 -2.155 -2.193 -0.038 -1.40 - NaOH 6.452e-20 6.462e-20 -19.190 -19.190 0.001 (0) O(0) 9.602e-12 O2 4.801e-12 4.809e-12 -11.319 -11.318 0.001 30.40 @@ -1548,7 +1533,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 8.000e-03 Na+ 8.000e-03 7.295e-03 -2.097 -2.137 -0.040 -1.39 - NaOH 7.329e-20 7.342e-20 -19.135 -19.134 0.001 (0) O(0) 9.602e-12 O2 4.801e-12 4.810e-12 -11.319 -11.318 0.001 30.40 @@ -1628,7 +1612,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 8.000e-03 Na+ 8.000e-03 7.295e-03 -2.097 -2.137 -0.040 -1.39 - NaOH 7.329e-20 7.342e-20 -19.135 -19.134 0.001 (0) O(0) 9.602e-12 O2 4.801e-12 4.810e-12 -11.319 -11.318 0.001 30.40 @@ -1714,7 +1697,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 9.000e-03 Na+ 9.000e-03 8.167e-03 -2.046 -2.088 -0.042 -1.39 - NaOH 8.198e-20 8.215e-20 -19.086 -19.085 0.001 (0) O(0) 9.602e-12 O2 4.801e-12 4.811e-12 -11.319 -11.318 0.001 30.40 @@ -1794,7 +1776,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 9.000e-03 Na+ 9.000e-03 8.167e-03 -2.046 -2.088 -0.042 -1.39 - NaOH 8.198e-20 8.215e-20 -19.086 -19.085 0.001 (0) O(0) 9.602e-12 O2 4.801e-12 4.811e-12 -11.319 -11.318 0.001 30.40 @@ -1880,7 +1861,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.033e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.061e-20 9.082e-20 -19.043 -19.042 0.001 (0) O(0) 9.588e-12 O2 4.794e-12 4.805e-12 -11.319 -11.318 0.001 30.40 @@ -1960,7 +1940,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.532 -40.531 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.033e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.061e-20 9.082e-20 -19.043 -19.042 0.001 (0) O(0) 9.588e-12 O2 4.794e-12 4.805e-12 -11.319 -11.318 0.001 30.40 diff --git a/mytest/Ilulissat_diff3_101.sel b/mytest/Ilulissat_diff3_101.sel index d2ea907ad..e0f0c4650 100644 --- a/mytest/Ilulissat_diff3_101.sel +++ b/mytest/Ilulissat_diff3_101.sel @@ -1,15 +1,15 @@ Mu SC 0.000000100661 0.0546997340 - 0.001000104163 122.9171236295 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.002000105537 243.6780973040 - 0.002000105537 243.6780973040 - 0.004000107402 481.6121900088 - 0.004000107402 481.6121900088 - 0.006000108760 716.1254112148 - 0.006000108760 716.1254112148 - 0.008000109863 948.0109760861 - 0.008000109863 948.0109760861 - 0.010000110805 1177.7201363818 - 0.010000110805 1177.7201363818 + 0.001000104163 122.9171236013 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.002000105537 243.6780972199 + 0.002000105537 243.6780972199 + 0.004000107402 481.6121897663 + 0.004000107402 481.6121897663 + 0.006000108760 716.1254107689 + 0.006000108760 716.1254107689 + 0.008000109863 948.0109754017 + 0.008000109863 948.0109754017 + 0.010000110805 1177.7201354291 + 0.010000110805 1177.7201354291 diff --git a/mytest/Int_vs_Don.out b/mytest/Int_vs_Don.out index 5f93428b3..eb5de447b 100644 --- a/mytest/Int_vs_Don.out +++ b/mytest/Int_vs_Don.out @@ -136,7 +136,6 @@ H(0) 1.384e-23 H2 6.918e-24 7.079e-24 -23.160 -23.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-20 7.919e-20 -19.111 -19.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.093 -46.083 0.010 30.40 @@ -305,12 +304,11 @@ Ca 9.501e-09 Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.394e-08 2.641e-08 -7.621 -7.578 0.043 (0) -H(0) 2.968e-39 +H(0) 2.967e-39 H2 1.484e-39 1.518e-39 -38.829 -38.819 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-20 7.919e-20 -19.111 -19.101 0.010 (0) -O(0) 3.510e-15 +O(0) 3.511e-15 O2 1.755e-15 1.796e-15 -14.756 -14.746 0.010 30.40 ------------------------------Saturation indices------------------------------- @@ -359,7 +357,7 @@ Reaction 1. Diffuse Double Layer Surface-Complexation Model Su - 2.152e-10 Surface + diffuse layer charge, eq + 2.117e-10 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.276e-02 psi, V @@ -402,7 +400,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.000 Charge balance - pe = -0.903 Adjusted to redox equilibrium + pe = -0.902 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10674 Density (g/cm³) = 1.00115 Volume (L) = 1.00459 @@ -438,13 +436,12 @@ Ca 1.947e-03 Cl 9.982e-02 Cl- 9.982e-02 7.600e-02 -1.001 -1.119 -0.118 18.35 HCl 2.354e-08 2.615e-08 -7.628 -7.582 0.046 (0) -H(0) 8.801e-14 - H2 4.400e-14 4.511e-14 -13.357 -13.346 0.011 28.61 +H(0) 8.794e-14 + H2 4.397e-14 4.507e-14 -13.357 -13.346 0.011 28.61 Na 9.022e-02 Na+ 9.022e-02 7.046e-02 -1.045 -1.152 -0.107 -1.08 - NaOH 6.942e-20 7.116e-20 -19.158 -19.148 0.011 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.702 -65.691 0.011 30.40 + O2 0.000e+00 0.000e+00 -65.701 -65.691 0.011 30.40 ------------------------------Saturation indices------------------------------- @@ -452,7 +449,7 @@ O(0) 0.000e+00 Al(OH)3(a) 3.71 14.51 10.80 Al(OH)3 Gibbsite 6.40 14.51 8.11 Al(OH)3 - H2(g) -10.24 -13.35 -3.10 H2 + H2(g) -10.25 -13.35 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.84 -2.27 1.57 NaCl O2(g) -62.80 -65.69 -2.89 O2 @@ -535,7 +532,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.001 Charge balance - pe = -1.098 Adjusted to redox equilibrium + pe = -1.101 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10702 Density (g/cm³) = 1.00115 Volume (L) = 1.00449 @@ -545,7 +542,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.227e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.911e-10 + Electrical balance (eq) = 2.876e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (9 overall) Total H = 1.110124e+02 @@ -571,13 +568,12 @@ Ca 3.907e-03 Cl 9.966e-02 Cl- 9.966e-02 7.539e-02 -1.001 -1.123 -0.121 18.36 HCl 2.315e-08 2.591e-08 -7.635 -7.587 0.049 (0) -H(0) 2.160e-13 - H2 1.080e-13 1.109e-13 -12.966 -12.955 0.012 28.61 +H(0) 2.183e-13 + H2 1.091e-13 1.121e-13 -12.962 -12.950 0.012 28.61 Na 8.039e-02 Na+ 8.039e-02 6.247e-02 -1.095 -1.204 -0.109 -1.06 - NaOH 6.152e-20 6.317e-20 -19.211 -19.199 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.484 -66.473 0.012 30.40 + O2 0.000e+00 0.000e+00 -66.493 -66.482 0.012 30.40 ------------------------------Saturation indices------------------------------- @@ -588,7 +584,7 @@ O(0) 0.000e+00 H2(g) -9.85 -12.95 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.90 -2.33 1.57 NaCl - O2(g) -63.58 -66.47 -2.89 O2 + O2(g) -63.59 -66.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -625,7 +621,7 @@ Reaction 1. Diffuse Double Layer Surface-Complexation Model Su - 9.510e-13 Surface + diffuse layer charge, eq + 9.505e-13 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.196e-02 psi, V @@ -678,7 +674,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.228e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.844e-10 + Electrical balance (eq) = 4.809e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (9 overall) Total H = 1.110124e+02 @@ -704,13 +700,12 @@ Ca 5.878e-03 Cl 9.952e-02 Cl- 9.952e-02 7.482e-02 -1.002 -1.126 -0.124 18.37 HCl 2.277e-08 2.568e-08 -7.643 -7.590 0.052 (0) -H(0) 1.477e-12 - H2 7.387e-13 7.599e-13 -12.132 -12.119 0.012 28.61 +H(0) 1.480e-12 + H2 7.398e-13 7.610e-13 -12.131 -12.119 0.012 28.61 Na 7.050e-02 Na+ 7.050e-02 5.454e-02 -1.152 -1.263 -0.112 -1.05 - NaOH 5.368e-20 5.522e-20 -19.270 -19.258 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.156 -68.144 0.012 30.40 + O2 0.000e+00 0.000e+00 -68.158 -68.146 0.012 30.40 ------------------------------Saturation indices------------------------------- @@ -721,7 +716,7 @@ O(0) 0.000e+00 H2(g) -9.02 -12.12 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.96 -2.39 1.57 NaCl - O2(g) -65.25 -68.14 -2.89 O2 + O2(g) -65.25 -68.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -758,7 +753,7 @@ Reaction 1. Diffuse Double Layer Surface-Complexation Model Su - 6.534e-10 Surface + diffuse layer charge, eq + 6.533e-10 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.161e-02 psi, V @@ -811,7 +806,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.230e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.854e-10 + Electrical balance (eq) = 4.819e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (8 overall) Total H = 1.110124e+02 @@ -837,13 +832,12 @@ Ca 7.857e-03 Cl 9.940e-02 Cl- 9.940e-02 7.428e-02 -1.003 -1.129 -0.127 18.38 HCl 2.241e-08 2.547e-08 -7.649 -7.594 0.055 (0) -H(0) 1.542e-12 - H2 7.710e-13 7.945e-13 -12.113 -12.100 0.013 28.61 +H(0) 1.544e-12 + H2 7.721e-13 7.956e-13 -12.112 -12.099 0.013 28.61 Na 6.058e-02 Na+ 6.058e-02 4.666e-02 -1.218 -1.331 -0.113 -1.04 - NaOH 4.591e-20 4.731e-20 -19.338 -19.325 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.196 -68.183 0.013 30.40 + O2 0.000e+00 0.000e+00 -68.197 -68.184 0.013 30.40 ------------------------------Saturation indices------------------------------- @@ -891,7 +885,7 @@ Reaction 1. Diffuse Double Layer Surface-Complexation Model Su - 2.165e-10 Surface + diffuse layer charge, eq + 2.164e-10 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.128e-02 psi, V @@ -944,7 +938,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.231e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.139e-09 + Electrical balance (eq) = 1.135e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (8 overall) Total H = 1.110124e+02 @@ -970,13 +964,12 @@ Ca 9.843e-03 Cl 9.930e-02 Cl- 9.930e-02 7.378e-02 -1.003 -1.132 -0.129 18.39 HCl 2.207e-08 2.526e-08 -7.656 -7.598 0.059 (0) -H(0) 1.569e-12 - H2 7.844e-13 8.097e-13 -12.105 -12.092 0.014 28.61 +H(0) 1.571e-12 + H2 7.855e-13 8.109e-13 -12.105 -12.091 0.014 28.61 Na 5.062e-02 Na+ 5.062e-02 3.883e-02 -1.296 -1.411 -0.115 -1.02 - NaOH 3.819e-20 3.942e-20 -19.418 -19.404 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.213 -68.199 0.014 30.40 + O2 0.000e+00 0.000e+00 -68.214 -68.200 0.014 30.40 ------------------------------Saturation indices------------------------------- @@ -1077,7 +1070,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.233e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.355e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (8 overall) Total H = 1.110124e+02 @@ -1103,13 +1096,12 @@ Ca 1.184e-02 Cl 9.920e-02 Cl- 9.920e-02 7.331e-02 -1.003 -1.135 -0.131 18.40 HCl 2.173e-08 2.507e-08 -7.663 -7.601 0.062 (0) -H(0) 1.576e-12 - H2 7.880e-13 8.149e-13 -12.103 -12.089 0.015 28.61 +H(0) 1.578e-12 + H2 7.891e-13 8.161e-13 -12.103 -12.088 0.015 28.61 Na 4.064e-02 Na+ 4.064e-02 3.105e-02 -1.391 -1.508 -0.117 -1.01 - NaOH 3.052e-20 3.157e-20 -19.515 -19.501 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.219 -68.205 0.015 30.40 + O2 0.000e+00 0.000e+00 -68.220 -68.206 0.015 30.40 ------------------------------Saturation indices------------------------------- @@ -1120,7 +1112,7 @@ O(0) 0.000e+00 H2(g) -8.99 -12.09 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.21 -2.64 1.57 NaCl - O2(g) -65.31 -68.20 -2.89 O2 + O2(g) -65.31 -68.21 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1200,7 +1192,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.004 Charge balance - pe = -1.535 Adjusted to redox equilibrium + pe = -1.536 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10502 Density (g/cm³) = 1.00117 Volume (L) = 1.00396 @@ -1210,7 +1202,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.234e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.480e-09 + Electrical balance (eq) = 1.476e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (8 overall) Total H = 1.110124e+02 @@ -1236,13 +1228,12 @@ Ca 1.383e-02 Cl 9.912e-02 Cl- 9.912e-02 7.286e-02 -1.004 -1.138 -0.134 18.41 HCl 2.141e-08 2.489e-08 -7.669 -7.604 0.065 (0) -H(0) 1.581e-12 - H2 7.904e-13 8.188e-13 -12.102 -12.087 0.015 28.61 +H(0) 1.583e-12 + H2 7.915e-13 8.200e-13 -12.102 -12.086 0.015 28.61 Na 3.063e-02 Na+ 3.063e-02 2.332e-02 -1.514 -1.632 -0.118 -1.00 - NaOH 2.291e-20 2.374e-20 -19.640 -19.625 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.224 -68.209 0.015 30.40 + O2 0.000e+00 0.000e+00 -68.225 -68.210 0.015 30.40 ------------------------------Saturation indices------------------------------- @@ -1290,7 +1281,7 @@ Reaction 1. Diffuse Double Layer Surface-Complexation Model Su - 2.816e-10 Surface + diffuse layer charge, eq + 2.815e-10 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.044e-02 psi, V @@ -1343,7 +1334,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.235e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.607e-09 + Electrical balance (eq) = 1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (8 overall) Total H = 1.110124e+02 @@ -1369,13 +1360,12 @@ Ca 1.584e-02 Cl 9.904e-02 Cl- 9.904e-02 7.244e-02 -1.004 -1.140 -0.136 18.42 HCl 2.109e-08 2.471e-08 -7.676 -7.607 0.069 (0) -H(0) 1.586e-12 - H2 7.930e-13 8.231e-13 -12.101 -12.085 0.016 28.61 +H(0) 1.588e-12 + H2 7.941e-13 8.242e-13 -12.100 -12.084 0.016 28.61 Na 2.060e-02 Na+ 2.060e-02 1.563e-02 -1.686 -1.806 -0.120 -0.99 - NaOH 1.535e-20 1.593e-20 -19.814 -19.798 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.229 -68.213 0.016 30.40 + O2 0.000e+00 0.000e+00 -68.231 -68.214 0.016 30.40 ------------------------------Saturation indices------------------------------- @@ -1466,7 +1456,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.005 Charge balance - pe = -1.539 Adjusted to redox equilibrium + pe = -1.540 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10306 Density (g/cm³) = 1.00118 Volume (L) = 1.00375 @@ -1476,7 +1466,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.235e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.889e-09 + Electrical balance (eq) = 1.885e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (8 overall) Total H = 1.110124e+02 @@ -1502,13 +1492,12 @@ Ca 1.784e-02 Cl 9.897e-02 Cl- 9.897e-02 7.203e-02 -1.004 -1.142 -0.138 18.43 HCl 2.079e-08 2.455e-08 -7.682 -7.610 0.072 (0) -H(0) 1.598e-12 - H2 7.990e-13 8.308e-13 -12.097 -12.080 0.017 28.61 +H(0) 1.600e-12 + H2 8.001e-13 8.319e-13 -12.097 -12.080 0.017 28.61 Na 1.056e-02 Na+ 1.056e-02 7.983e-03 -1.976 -2.098 -0.121 -0.97 - NaOH 7.837e-21 8.149e-21 -20.106 -20.089 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.238 -68.221 0.017 30.40 + O2 0.000e+00 0.000e+00 -68.239 -68.222 0.017 30.40 ------------------------------Saturation indices------------------------------- @@ -1609,7 +1598,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.236e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.000e-09 + Electrical balance (eq) = 1.996e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (8 overall) Total H = 1.110124e+02 @@ -1635,13 +1624,12 @@ Ca 1.985e-02 Cl 9.891e-02 Cl- 9.891e-02 7.165e-02 -1.005 -1.145 -0.140 18.43 HCl 2.049e-08 2.439e-08 -7.688 -7.613 0.076 (0) -H(0) 3.779e-12 - H2 1.890e-12 1.969e-12 -11.724 -11.706 0.018 28.61 +H(0) 3.781e-12 + H2 1.891e-12 1.970e-12 -11.723 -11.706 0.018 28.61 Na 5.004e-04 Na+ 5.004e-04 3.772e-04 -3.301 -3.423 -0.123 -0.96 - NaOH 3.700e-22 3.855e-22 -21.432 -21.414 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.988 -68.970 0.018 30.40 + O2 0.000e+00 0.000e+00 -68.989 -68.971 0.018 30.40 ------------------------------Saturation indices------------------------------- @@ -1744,7 +1732,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -5.204e-18 Surface + diffuse layer charge, eq + -3.296e-17 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.322e-02 psi, V @@ -1821,13 +1809,12 @@ Ca 9.385e-09 Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.394e-08 2.641e-08 -7.621 -7.578 0.043 (0) -H(0) 5.294e-15 - H2 2.647e-15 2.709e-15 -14.577 -14.567 0.010 28.61 +H(0) 5.288e-15 + H2 2.644e-15 2.706e-15 -14.578 -14.568 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-20 7.919e-20 -19.111 -19.101 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.258 -63.248 0.010 30.40 + O2 0.000e+00 0.000e+00 -63.257 -63.247 0.010 30.40 ------------------------------Saturation indices------------------------------- @@ -1875,7 +1862,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -2.401e-15 Surface + diffuse layer charge, eq + -2.415e-15 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.241e-02 psi, V @@ -1926,7 +1913,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.226e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.119e-15 + Electrical balance (eq) = -1.133e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (14 overall) Total H = 1.110124e+02 @@ -1956,7 +1943,6 @@ H(0) 1.588e-10 H2 7.939e-11 8.138e-11 -10.100 -10.089 0.011 28.61 Na 9.036e-02 Na+ 9.036e-02 7.058e-02 -1.044 -1.151 -0.107 -1.08 - NaOH 6.946e-20 7.120e-20 -19.158 -19.148 0.011 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.215 -72.204 0.011 30.40 @@ -2006,7 +1992,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -2.156e-15 Surface + diffuse layer charge, eq + -2.129e-15 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.176e-02 psi, V @@ -2057,7 +2043,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.229e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.437e-15 + Electrical balance (eq) = -3.492e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (9 overall) Total H = 1.110124e+02 @@ -2087,7 +2073,6 @@ H(0) 8.196e-11 H2 4.098e-11 4.208e-11 -10.387 -10.376 0.011 28.61 Na 8.059e-02 Na+ 8.059e-02 6.264e-02 -1.094 -1.203 -0.109 -1.06 - NaOH 6.158e-20 6.322e-20 -19.211 -19.199 0.011 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -71.642 -71.631 0.011 30.40 @@ -2137,7 +2122,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -1.265e-15 Surface + diffuse layer charge, eq + -1.292e-15 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.122e-02 psi, V @@ -2188,7 +2173,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.231e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.507e-15 + Electrical balance (eq) = -5.562e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (8 overall) Total H = 1.110124e+02 @@ -2218,7 +2203,6 @@ H(0) 4.673e-12 H2 2.336e-12 2.403e-12 -11.631 -11.619 0.012 28.61 Na 7.075e-02 Na+ 7.075e-02 5.474e-02 -1.150 -1.262 -0.111 -1.05 - NaOH 5.375e-20 5.529e-20 -19.270 -19.257 0.012 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.156 -69.144 0.012 30.40 @@ -2268,7 +2252,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -7.858e-16 Surface + diffuse layer charge, eq + -7.720e-16 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.076e-02 psi, V @@ -2319,7 +2303,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.233e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.809e-15 + Electrical balance (eq) = -6.865e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (20 overall) Total H = 1.110124e+02 @@ -2349,9 +2333,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.811 -40.798 0.013 28.61 Na 6.085e-02 Na+ 6.085e-02 4.687e-02 -1.216 -1.329 -0.113 -1.04 - NaOH 4.599e-20 4.739e-20 -19.337 -19.324 0.013 (0) O(0) 3.178e-11 - O2 1.589e-11 1.637e-11 -10.799 -10.786 0.013 30.40 + O2 1.589e-11 1.638e-11 -10.799 -10.786 0.013 30.40 ------------------------------Saturation indices------------------------------- @@ -2399,7 +2382,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -4.111e-16 Surface + diffuse layer charge, eq + -4.389e-16 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.036e-02 psi, V @@ -2450,7 +2433,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.235e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.639e-15 + Electrical balance (eq) = -7.709e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (9 overall) Total H = 1.110124e+02 @@ -2480,7 +2463,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.024 -41.010 0.014 28.61 Na 5.090e-02 Na+ 5.090e-02 3.905e-02 -1.293 -1.408 -0.115 -1.02 - NaOH 3.829e-20 3.952e-20 -19.417 -19.403 0.014 (0) O(0) 8.402e-11 O2 4.201e-11 4.336e-11 -10.377 -10.363 0.014 30.40 @@ -2530,7 +2512,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -1.596e-16 Surface + diffuse layer charge, eq + -1.613e-16 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -1.001e-02 psi, V @@ -2581,7 +2563,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.237e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.016e-15 + Electrical balance (eq) = -8.093e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (8 overall) Total H = 1.110124e+02 @@ -2611,7 +2593,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.063 -41.049 0.015 28.61 Na 4.092e-02 Na+ 4.092e-02 3.127e-02 -1.388 -1.505 -0.117 -1.01 - NaOH 3.064e-20 3.168e-20 -19.514 -19.499 0.015 (0) O(0) 1.004e-10 O2 5.019e-11 5.190e-11 -10.299 -10.285 0.015 30.40 @@ -2661,7 +2642,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -8.153e-17 Surface + diffuse layer charge, eq + -9.541e-17 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -9.703e-03 psi, V @@ -2712,7 +2693,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.238e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.148e-15 + Electrical balance (eq) = -8.218e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (8 overall) Total H = 1.110124e+02 @@ -2742,7 +2723,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.088 -41.072 0.015 28.61 Na 3.091e-02 Na+ 3.091e-02 2.353e-02 -1.510 -1.628 -0.118 -1.00 - NaOH 2.304e-20 2.387e-20 -19.637 -19.622 0.015 (0) O(0) 1.117e-10 O2 5.583e-11 5.784e-11 -10.253 -10.238 0.015 30.40 @@ -2792,7 +2772,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -4.857e-17 Surface + diffuse layer charge, eq + -6.245e-17 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -9.424e-03 psi, V @@ -2843,7 +2823,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.239e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.218e-15 + Electrical balance (eq) = -8.343e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (8 overall) Total H = 1.110124e+02 @@ -2873,7 +2853,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.104 -41.087 0.016 28.61 Na 2.087e-02 Na+ 2.087e-02 1.584e-02 -1.680 -1.800 -0.120 -0.99 - NaOH 1.550e-20 1.609e-20 -19.810 -19.794 0.016 (0) O(0) 1.196e-10 O2 5.979e-11 6.205e-11 -10.223 -10.207 0.016 30.40 @@ -2923,7 +2902,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -6.939e-17 Surface + diffuse layer charge, eq + -4.163e-17 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -9.170e-03 psi, V @@ -2974,7 +2953,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.240e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.298e-15 + Electrical balance (eq) = -8.409e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (9 overall) Total H = 1.110124e+02 @@ -3004,9 +2983,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.115 -41.098 0.017 28.61 Na 1.082e-02 Na+ 1.082e-02 8.183e-03 -1.966 -2.087 -0.121 -0.97 - NaOH 8.005e-21 8.324e-21 -20.097 -20.080 0.017 (0) O(0) 1.252e-10 - O2 6.258e-11 6.506e-11 -10.204 -10.187 0.017 30.40 + O2 6.258e-11 6.507e-11 -10.204 -10.187 0.017 30.40 ------------------------------Saturation indices------------------------------- @@ -3054,7 +3032,7 @@ Reaction 2. Diffuse Double Layer Surface-Complexation Model Su - -1.214e-17 Surface + diffuse layer charge, eq + -2.602e-17 Surface + diffuse layer charge, eq -1.000e-02 Surface charge, eq -9.649e-03 sigma, C/m² -8.939e-03 psi, V @@ -3105,7 +3083,7 @@ Su Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.241e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.324e-15 + Electrical balance (eq) = -8.491e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (9 overall) Total H = 1.110124e+02 @@ -3135,9 +3113,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.123 -41.105 0.018 28.61 Na 7.549e-04 Na+ 7.549e-04 5.691e-04 -3.122 -3.245 -0.123 -0.96 - NaOH 5.564e-22 5.795e-22 -21.255 -21.237 0.018 (0) O(0) 1.291e-10 - O2 6.455e-11 6.724e-11 -10.190 -10.172 0.018 30.40 + O2 6.456e-11 6.725e-11 -10.190 -10.172 0.018 30.40 ------------------------------Saturation indices------------------------------- diff --git a/mytest/Int_vs_Don_101.sel b/mytest/Int_vs_Don_101.sel index 64e0726e8..cdac3c215 100644 --- a/mytest/Int_vs_Don_101.sel +++ b/mytest/Int_vs_Don_101.sel @@ -1,26 +1,26 @@ Mu SC - 0.100001211589 10609.4476964562 - 0.100001211589 10609.4476964562 - 0.100001247872 10609.4481288570 - 0.107464036388 10674.6976502281 - 0.115024892602 10702.2371572198 - 0.122664662386 10701.1233816811 - 0.130368856474 10677.3922463350 - 0.138126318136 10634.9737736806 - 0.145928319220 10576.2344947024 - 0.153767936381 10502.2649324473 - 0.161639608114 10412.9601955322 - 0.169538816363 10306.8777128549 - 0.177461852756 10180.7610882822 - 0.100001211589 10609.4476964562 - 0.100001246636 10609.4480878641 - 0.107278478371 10669.8265669071 - 0.114742023215 10696.1804673796 - 0.122334358582 10695.4201808780 - 0.130020546078 10672.6911070079 - 0.137777787529 10631.5359732094 - 0.145590413573 10574.1507217791 - 0.153447219513 10501.5550505615 - 0.161339938113 10413.6237631552 - 0.169262311829 10308.9254406534 - 0.177209502555 10184.2445801567 + 0.100001211589 10609.4476936477 + 0.100001211589 10609.4476936477 + 0.100001247872 10609.4481260485 + 0.107464036388 10674.6976474239 + 0.115024892601 10702.2371544286 + 0.122664662385 10701.1233788774 + 0.130368856473 10677.3922435165 + 0.138126318135 10634.9737708459 + 0.145928319218 10576.2344918514 + 0.153767936379 10502.2649295810 + 0.161639608113 10412.9601926525 + 0.169538816361 10306.8777099647 + 0.177461852754 10180.7610853868 + 0.100001211589 10609.4476936477 + 0.100001246636 10609.4480850555 + 0.107278478371 10669.8265641061 + 0.114742023215 10696.1804645780 + 0.122334358582 10695.4201780701 + 0.130020546078 10672.6911041901 + 0.137777787529 10631.5359703798 + 0.145590413573 10574.1507189371 + 0.153447219513 10501.5550477078 + 0.161339938113 10413.6237602919 + 0.169262311829 10308.9254377838 + 0.177209502555 10184.2445772864 diff --git a/mytest/Jiang_pz_101.sel b/mytest/Jiang_pz_101.sel index b3d64810e..b72354554 100644 --- a/mytest/Jiang_pz_101.sel +++ b/mytest/Jiang_pz_101.sel @@ -11,25 +11,25 @@ 0.000106880868 52.7861407192 0.000104400169 57.1771355767 0.000099345979 59.4473711182 - 0.000091012877 58.7861134620 - 0.000078159193 53.9452306668 - 0.000057821171 42.2844628394 - 0.000045590374 34.0531678687 + 0.000091012877 58.7860746871 + 0.000078159193 53.9451954095 + 0.000057821171 42.2844388850 + 0.000045590374 34.0531515933 0.000529534540 199.0740491495 0.000552044329 297.6469261765 0.000525876690 353.6792516937 - 0.000460830655 356.2130157599 - 0.000369457801 311.1456974461 - 0.000263640358 233.3855256740 - 0.000149318146 135.8466036134 + 0.000460830655 356.2101915559 + 0.000369457801 311.1416177943 + 0.000263640358 233.3771464270 + 0.000149318146 135.8493576121 0.000479681934 186.2987096771 0.000660269093 340.2676972846 0.000645003972 416.5810690130 - 0.000578379654 430.3926105818 - 0.000479030986 388.4577254205 - 0.000364305667 309.8750891298 - 0.000247700811 215.1365037200 - 0.000134684803 118.2151944359 + 0.000578379654 430.3883018100 + 0.000479030986 388.4511760805 + 0.000364305667 309.8606252696 + 0.000247700811 215.1442720875 + 0.000134684803 118.2161031574 0.000489514316 190.6663473185 0.000514294380 210.9568084914 0.000538507205 231.7292779554 @@ -48,38 +48,38 @@ 0.000745962624 473.8511932495 0.000750327481 485.1819821724 0.000752583565 494.8485164212 - 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0.000987621859 589.7149527619 - 0.000998520080 601.1786622193 - 0.001007580511 610.7699110065 - 0.001014804351 618.4630243088 - 0.001020203212 624.2517288102 - 0.001023798577 628.1484297873 - 0.001025621209 630.1832217486 - 0.001025710516 630.4026676645 - 0.001024113869 628.8683856065 - 0.001020885908 625.6554834925 - 0.001016087813 620.8508833530 - 0.001009786576 614.5515761733 - 0.001002054266 606.8628470856 - 0.000992967303 597.8965082950 - 0.000982605740 587.7691745768 - 0.000971052564 576.6006124786 - 0.000958393027 564.5121907797 - 0.000944713989 551.6254550402 - 0.000917615584 539.1588694617 - 0.000889014517 526.2989525600 - 0.000860413921 513.0086582465 - 0.000831900459 499.3654076110 - 0.000803554199 485.4437173678 - 0.000775448711 471.3151334285 - 0.000747651214 457.0483186894 - 0.000720222733 442.7096035274 - 0.000693218305 428.3645535140 - 0.000666687184 414.0813843082 - 0.000640673079 399.9425225041 - 0.000615214401 386.0926962102 - 0.000590344516 373.1146634587 - 0.000566092009 343.6123177703 - 0.000542480953 342.4613738115 - 0.000519531178 329.9299617702 + 0.000987621859 589.7059959733 + 0.000998520080 601.1688920007 + 0.001007580511 610.7593183011 + 0.001014804351 618.4516041642 + 0.001020203212 624.2394799077 + 0.001023798577 628.1353538496 + 0.001025621209 630.1693228292 + 0.001025710516 630.3879513186 + 0.001024113869 628.8528579420 + 0.001020885908 625.6391500922 + 0.001016087813 620.8337480537 + 0.001009786576 614.5336396739 + 0.001002054266 606.8441053431 + 0.000992967303 597.8769506439 + 0.000982605740 587.7487814753 + 0.000971052564 576.5793527370 + 0.000958393027 564.4900180541 + 0.000944713989 551.6023032602 + 0.000917615584 539.1349209158 + 0.000889014517 526.2741282995 + 0.000860413921 512.9828093677 + 0.000831900459 499.3383292814 + 0.000803554199 485.4151248074 + 0.000775448711 471.2846226386 + 0.000747651214 457.0153057226 + 0.000720222733 442.6732001515 + 0.000693218305 428.3232922488 + 0.000666687184 414.0326510533 + 0.000640673079 399.8809644170 + 0.000615214401 386.0043852981 + 0.000590344516 372.9379380769 + 0.000566092009 344.7712029555 + 0.000542480953 342.5810261507 + 0.000519531178 329.9888932844 0.000614963937 245.0219471678 0.000646670074 269.6593495345 0.000678027062 294.8156268404 @@ -746,40 +746,40 @@ 0.000958547773 551.3152874374 0.000975260434 568.0978884873 0.000990184025 583.1666000912 - 0.001003284803 596.4208744170 - 0.001014540698 607.8280359053 - 0.001023941017 617.3231394790 - 0.001031486042 624.8804051954 - 0.001037186575 630.4939056700 - 0.001041063405 634.1768388691 - 0.001043146710 635.9605249242 - 0.001043475429 635.8931623269 - 0.001042096579 634.0383828525 - 0.001039064553 630.4736466847 - 0.001034440401 625.2885209371 - 0.001028291086 618.5828784259 - 0.001020688758 610.4650739023 - 0.001011710014 601.0501096223 - 0.001001435183 590.4578533451 - 0.000989947619 578.8113250016 - 0.000977333015 566.2350852084 - 0.000956874657 553.5589471264 - 0.000927981456 541.0963641405 - 0.000898999780 528.1263616121 - 0.000870023800 514.7288944639 - 0.000841140917 500.9811148827 - 0.000812431824 486.9571458140 - 0.000783970616 472.7279629069 - 0.000755824936 458.3613772323 - 0.000728056151 443.9223392994 - 0.000700719547 429.4738760290 - 0.000673864558 415.0787775644 - 0.000647534997 400.8050007807 - 0.000621769313 386.7436423726 - 0.000596600853 373.0974501826 - 0.000572058125 361.2773523915 - 0.000548165079 341.1069621807 - 0.000524941374 330.1281162134 + 0.001003284803 596.4115581548 + 0.001014540698 607.8178820918 + 0.001023941017 617.3121416308 + 0.001031486042 624.8685614175 + 0.001037186575 630.4812181699 + 0.001041063405 634.1633133494 + 0.001043146710 635.9461698598 + 0.001043475429 635.8779881312 + 0.001042096579 634.0224009338 + 0.001039064553 630.4568683902 + 0.001034440401 625.2709563748 + 0.001028291086 618.5645351467 + 0.001020688758 610.4459554109 + 0.001011710014 601.0302136686 + 0.001001435183 590.4371699221 + 0.000989947619 578.7898339387 + 0.000977333015 566.2127531947 + 0.000956874657 553.5358574461 + 0.000927981456 541.0726103284 + 0.000898999780 528.1018565039 + 0.000870023800 514.7035176660 + 0.000841140917 500.9547012093 + 0.000812431824 486.9294676639 + 0.000783970616 472.6987022881 + 0.000755824936 458.3300859140 + 0.000728056151 443.8883572425 + 0.000700719547 429.4361548280 + 0.000673864558 415.0355640279 + 0.000647534997 400.7530388779 + 0.000621769313 386.6757927699 + 0.000596600853 372.9924894722 + 0.000572058125 360.9920840929 + 0.000548165079 341.3969750453 + 0.000524941374 330.2153379448 0.000632189641 252.3882036671 0.000664779554 277.6287615645 0.000697034489 303.3883792927 @@ -795,41 +795,41 @@ 0.000968015734 546.2366121811 0.000987279965 564.8370203544 0.001004773158 581.7596090311 - 0.001020447121 596.8770321016 - 0.001034265738 610.1397621473 - 0.001046204776 621.4570805849 - 0.001056251579 630.7813944579 - 0.001064404694 638.0862774697 - 0.001070673411 643.3660717804 - 0.001075077229 646.6351632603 - 0.001077645266 647.9269605513 - 0.001078415626 647.2926140682 - 0.001077434719 644.7995150099 - 0.001074756549 640.5296171712 - 0.001070441992 634.5776258124 - 0.001064558055 627.0490981429 - 0.001057177125 618.0584989765 - 0.001048376237 607.7272534445 - 0.001038236337 596.1818356030 - 0.001026841561 583.5519276670 - 0.001009554291 570.5909610260 - 0.000979995565 558.4412006813 - 0.000950254716 545.7076064421 - 0.000920434943 532.4727555332 - 0.000890632376 518.8165668375 - 0.000860936111 504.8159743923 - 0.000831428298 490.5446767566 - 0.000802184257 476.0729671063 - 0.000773272644 461.4676152192 - 0.000744755639 446.7919411068 - 0.000716689157 432.1062006827 - 0.000689123088 417.4679867332 - 0.000662101547 402.9337479838 - 0.000635663141 388.5625139532 - 0.000609841241 374.4274394493 - 0.000584664267 360.6647927282 - 0.000560155968 347.8720222773 - 0.000536335710 322.5417662202 + 0.001020447121 596.8678598628 + 0.001034265738 610.1297103285 + 0.001046204776 621.4461420667 + 0.001056251579 630.7695680839 + 0.001064404694 638.0735676517 + 0.001070673411 643.3524879720 + 0.001075077229 646.6207193067 + 0.001077645266 647.9116739286 + 0.001078415626 647.2765050196 + 0.001077434719 644.7826055906 + 0.001074756549 640.5119302044 + 0.001070441992 634.5591837601 + 0.001064558055 627.0299218833 + 0.001057177125 618.0386064772 + 0.001048376237 607.7066583035 + 0.001038236337 596.1605454180 + 0.001026841561 583.5299421670 + 0.001009554291 570.5683503133 + 0.000979995565 558.4181422373 + 0.000950254716 545.6840640794 + 0.000920434943 532.4486746619 + 0.000890632376 518.7918697361 + 0.000860936111 504.7905535008 + 0.000831428298 490.5183848752 + 0.000802184257 476.0456025888 + 0.000773272644 461.4389049408 + 0.000744755639 446.7615024900 + 0.000716689157 432.0734576202 + 0.000689123088 417.4320596672 + 0.000662101547 402.8932048244 + 0.000635663141 388.5147961297 + 0.000609841241 374.3672757726 + 0.000584664267 360.5782932222 + 0.000560155968 347.6954474815 + 0.000536335710 323.3757006987 0.000649389001 259.7059775699 0.000682833576 285.5606056154 0.000715976496 311.9422546366 @@ -845,38 +845,38 @@ 0.000995663455 559.8709730044 0.001015704199 578.7294677485 0.001033944661 595.8416355209 - 0.001050334175 611.0771444387 - 0.001064834354 624.3801436860 - 0.001077418904 635.6579589660 - 0.001088073327 644.8607993240 - 0.001096794549 651.9609258920 - 0.001103590462 656.9522918588 - 0.001108479395 659.8498368380 - 0.001111489524 660.6884649481 - 0.001112658234 659.5217422466 - 0.001112031433 656.4203537789 - 0.001109662848 651.4703638873 - 0.001105613282 644.7713255588 - 0.001099949872 636.4342853583 - 0.001092745335 626.5797302102 - 0.001084077212 615.3355206948 - 0.001074027135 602.8348528900 - 0.001062680088 589.2142868783 - 0.001035705885 576.9082372210 - 0.001005194017 564.4254818519 - 0.000974507892 551.3646619115 - 0.000943753319 537.8088745602 - 0.000913028727 523.8383800838 - 0.000882425216 509.5302750876 - 0.000852026659 494.9582352922 - 0.000821909842 480.1923275070 - 0.000792144645 465.2988569261 - 0.000762794240 450.3403563124 - 0.000733915330 435.3757756320 - 0.000705558400 420.4605174404 - 0.000677767983 405.6469950400 - 0.000650582940 390.9857122886 - 0.000624036755 376.5278601979 - 0.000598157825 362.3327005039 - 0.000572969761 348.4950102719 - 0.000548491326 335.3110524624 + 0.001050334175 611.0672673614 + 0.001064834354 624.3693315866 + 0.001077418904 635.6462091655 + 0.001088073327 644.8481161429 + 0.001096794549 651.9473202128 + 0.001103590462 656.9377805464 + 0.001108479395 659.8344420334 + 0.001111489524 660.6722132497 + 0.001112658234 659.5046637959 + 0.001112031433 656.4024812642 + 0.001109662848 651.4517314782 + 0.001105613282 644.7519677796 + 0.001099949872 636.4142359055 + 0.001092745335 626.5590207120 + 0.001084077212 615.3141794024 + 0.001074027135 602.8129032803 + 0.001062680088 589.1917461330 + 0.001035705885 576.8853391926 + 0.001005194017 564.4022711013 + 0.000974507892 551.3411212054 + 0.000943753319 537.7849726143 + 0.000913028727 523.8140686658 + 0.000882425216 509.5054850328 + 0.000852026659 494.9328708715 + 0.000821909842 480.1662582437 + 0.000792144645 465.2719111543 + 0.000762794240 450.3123018806 + 0.000733915330 435.3462723049 + 0.000705558400 420.4290767097 + 0.000677767983 405.6128857718 + 0.000650582940 390.9477750733 + 0.000624036755 376.4840992698 + 0.000598157825 362.2792332021 + 0.000572969761 348.4226036615 + 0.000548491326 335.1869512305 diff --git a/mytest/K2SO4.out b/mytest/K2SO4.out index b9b526ff4..bbd7eac74 100644 --- a/mytest/K2SO4.out +++ b/mytest/K2SO4.out @@ -816,7 +816,7 @@ Arcanite 0.00 -1.49 -1.49 1.000e+01 8.900e+00 -1.100e+00 pH = 7.110 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 345547 + Specific Conductance (µS/cm, 80°C) = 345546 Density (g/cm³) = 1.10381 Volume (L) = 1.07968 Viscosity (mPa s) = 0.46376 @@ -1020,7 +1020,7 @@ Arcanite 0.00 -1.48 -1.48 1.000e+01 8.614e+00 -1.386e+00 pH = 7.052 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 600263 + Specific Conductance (µS/cm, 120°C) = 600262 Density (g/cm³) = 1.10473 Volume (L) = 1.12378 Viscosity (mPa s) = 0.33569 @@ -1089,7 +1089,7 @@ Arcanite -0.00 -1.54 -1.54 1.000e+01 8.484e+00 -1.516e+00 pH = 7.061 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 752102 + Specific Conductance (µS/cm, 140°C) = 752098 Density (g/cm³) = 1.09982 Volume (L) = 1.14950 Viscosity (mPa s) = 0.29622 @@ -1158,7 +1158,7 @@ Arcanite -0.00 -1.69 -1.69 1.000e+01 8.306e+00 -1.694e+00 pH = 7.109 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 170°C) = 979175 + Specific Conductance (µS/cm, 170°C) = 979164 Density (g/cm³) = 1.08350 Volume (L) = 1.19536 Viscosity (mPa s) = 0.25214 @@ -1227,7 +1227,7 @@ Arcanite -0.00 -1.75 -1.75 1.000e+01 8.254e+00 -1.746e+00 pH = 7.132 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 180°C) = 1047687 + Specific Conductance (µS/cm, 180°C) = 1047671 Density (g/cm³) = 1.07506 Volume (L) = 1.21325 Viscosity (mPa s) = 0.23982 @@ -1296,10 +1296,10 @@ Arcanite -0.00 -2.00 -2.00 1.000e+01 8.119e+00 -1.881e+00 pH = 7.215 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 210°C) = 1223150 + Specific Conductance (µS/cm, 210°C) = 1223113 Density (g/cm³) = 1.03856 Volume (L) = 1.27848 - Viscosity (mPa s) = 0.20485 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.20486 (solute contributions limited to 200 °C) Activity of water = 0.946 Ionic strength (mol/kgw) = 5.643e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/K2SO4_101.sel b/mytest/K2SO4_101.sel index 3e318fdc8..03a855c0d 100644 --- a/mytest/K2SO4_101.sel +++ b/mytest/K2SO4_101.sel @@ -1,20 +1,20 @@ Mu SC - 0.000000100645 0.0546913894 - 1.199993540434 38506.0290270694 - 1.479382168617 61240.9306849189 - 1.621003479258 74682.8271202715 - 1.762628708503 89422.1452035327 - 1.903454445773 105380.8749428627 - 2.042821785142 122478.1069066958 - 2.315281893287 159786.0912247871 - 2.577551496541 200851.7500552748 - 2.828930768273 245426.1724672467 - 3.069849438908 293553.7403571585 - 3.301298575510 345547.0822537380 - 3.524409505189 401880.8439219904 - 3.740174831650 463003.8757530989 - 4.157045240667 600263.8387656085 - 4.549108550373 752102.0048816933 - 5.081543324637 979175.9036468507 - 5.238815623263 1047687.2335165557 - 5.642624629986 1223150.1783775752 + 0.000000100645 0.0546913895 + 1.199993540434 38506.0287396381 + 1.479382168617 61240.9298305215 + 1.621003479258 74682.8257146010 + 1.762628708503 89422.1429524823 + 1.903454445773 105380.8714244978 + 2.042821785142 122478.1015264953 + 2.315281893287 159786.0793431179 + 2.577551496541 200851.7254487728 + 2.828930768273 245426.1241016703 + 3.069849438908 293553.6492466853 + 3.301298575510 345546.9164916250 + 3.524409505189 401880.5510103095 + 3.740174831650 463003.3712551625 + 4.157045240667 600262.4460053294 + 4.549108550373 752098.5284306018 + 5.081543324637 979164.7241931662 + 5.238815623263 1047671.6155817513 + 5.642624629986 1223113.8304632143 diff --git a/mytest/KCl-SO4.out b/mytest/KCl-SO4.out index 9c8aa07c9..bd51710ce 100644 --- a/mytest/KCl-SO4.out +++ b/mytest/KCl-SO4.out @@ -76,10 +76,10 @@ Initial solution 1. pH = 7.717 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 288445 + Specific Conductance (µS/cm, 25°C) = 288471 Density (g/cm³) = 1.22134 Volume (L) = 1.10413 - Viscosity (mPa s) = 0.97618 + Viscosity (mPa s) = 0.97538 Activity of water = 0.930 Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+00 @@ -2574,10 +2574,10 @@ Sylvite -5.59 -4.34 1.25 0.000e+00 0 0.000e+00 pH = 7.126 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 358354 + Specific Conductance (µS/cm, 75°C) = 358356 Density (g/cm³) = 1.10278 Volume (L) = 1.07465 - Viscosity (mPa s) = 0.43497 + Viscosity (mPa s) = 0.43495 Activity of water = 0.963 Ionic strength (mol/kgw) = 3.187e+00 Mass of water (kg) = 1.000e+00 @@ -3777,10 +3777,10 @@ Sylvite -5.65 -4.32 1.33 0.000e+00 0 0.000e+00 pH = 7.067 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 505947 + Specific Conductance (µS/cm, 100°C) = 505958 Density (g/cm³) = 1.10588 Volume (L) = 1.10071 - Viscosity (mPa s) = 0.34621 + Viscosity (mPa s) = 0.34613 Activity of water = 0.957 Ionic strength (mol/kgw) = 3.740e+00 Mass of water (kg) = 1.000e+00 @@ -4232,7 +4232,7 @@ Sylvite -0.37 0.96 1.33 0.000e+00 0 0.000e+00 pH = 6.621 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 873776 + Specific Conductance (µS/cm, 100°C) = 873775 Density (g/cm³) = 1.16403 Volume (L) = 1.21707 Viscosity (mPa s) = 0.40982 @@ -4414,7 +4414,7 @@ Sylvite -0.05 1.28 1.33 0.000e+00 0 0.000e+00 pH = 6.539 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 990344 + Specific Conductance (µS/cm, 100°C) = 990343 Density (g/cm³) = 1.20831 Volume (L) = 1.28255 Viscosity (mPa s) = 0.45386 diff --git a/mytest/KCl-SO4_101.sel b/mytest/KCl-SO4_101.sel index f11593b49..a25444188 100644 --- a/mytest/KCl-SO4_101.sel +++ b/mytest/KCl-SO4_101.sel @@ -1,54 +1,54 @@ Mu SC - 5.999999390360 288445.5202291826 - 1.620992487180 80875.1755292978 - 1.842522857873 123312.4014751531 - 2.517359081072 181647.7149632165 - 3.354529511678 238587.2562501946 - 4.254336303526 288214.3528722257 - 4.528641067712 301268.0779236712 - 4.528641068186 301268.0779260778 - 4.528641068307 301268.0779299031 - 4.528641068428 301268.0779337283 - 4.528641068549 301268.0779375540 - 4.528641068670 301268.0779413794 - 4.528641068791 301268.0779452048 - 4.347462918280 299704.0077296163 - 2.042805736850 134528.6800848500 - 2.158173586083 181385.9314218589 - 2.716862637814 247541.6424536228 - 3.482390597755 314604.3141068816 - 4.338778904073 374296.5349239259 - 5.185701419133 421459.7393178911 - 5.185701418819 421459.7393259259 - 5.185701418935 421459.7393318388 - 5.185701419051 421459.7393377519 - 5.185701419166 421459.7393436648 - 5.185701419282 421459.7393495780 - 5.185701419397 421459.7393554907 - 4.999218383134 419181.0639257238 - 3.186660194575 358354.3525503477 - 3.112594852390 409171.6008619662 - 3.413930379093 483199.9672316857 - 3.981604194429 565738.1880534313 - 4.703779024161 644307.8618645354 - 5.517131118867 713456.8599883210 - 6.387864617522 771609.3700448945 - 6.872596512945 798339.2269823285 - 6.872596512774 798339.2270065024 - 6.872596512978 798339.2270279068 - 6.872596513182 798339.2270493140 - 6.872596513386 798339.2270707189 - 6.624694440633 789945.8730942085 - 3.740145993443 505947.4023145505 - 3.617473726432 557113.5047903234 - 3.838035070393 631135.9672650208 - 4.327754506693 716053.3004542594 - 4.988716787412 799125.2099443870 - 5.756642876935 873776.0693893258 - 6.594374530180 937624.1584096935 - 7.479538855118 990344.0727989667 - 7.796754181002 1006217.3677919115 - 7.796754187188 1006217.3678089820 - 7.796754187688 1006217.3678767238 - 7.796754188189 1006217.3679444586 - 7.444818185356 989836.5030565920 + 5.999999390360 288471.7231652020 + 1.620992487180 80875.1841076598 + 1.842522857873 123312.4009363823 + 2.517359081072 181647.7140932006 + 3.354529511678 238587.2551612151 + 4.254336303526 288214.3516838999 + 4.528641067712 301268.0767259067 + 4.528641068186 301268.0767283133 + 4.528641068307 301268.0767321388 + 4.528641068428 301268.0767359638 + 4.528641068549 301268.0767397895 + 4.528641068670 301268.0767436149 + 4.528641068791 301268.0767474403 + 4.347462918280 299704.0067464975 + 2.042805736850 134528.6782981562 + 2.158173586083 181385.9297346230 + 2.716862637814 247541.6399667161 + 3.482390597755 314604.3111550102 + 4.338778904073 374296.5318070934 + 5.185701419133 421459.7362416739 + 5.185701418819 421459.7362497088 + 5.185701418935 421459.7362556218 + 5.185701419051 421459.7362615349 + 5.185701419166 421459.7362674478 + 5.185701419282 421459.7362733611 + 5.185701419397 421459.7362792738 + 4.999218383134 419181.0616996432 + 3.186660194575 358356.3305102775 + 3.112594852390 409171.5743584498 + 3.413930379093 483199.9327748298 + 3.981604194429 565738.1499115155 + 4.703779024161 644307.8234694139 + 5.517131118867 713456.8233847169 + 6.387864617522 771609.3361752634 + 6.872596512945 798339.1947154206 + 6.872596512774 798339.1947396236 + 6.872596512978 798339.1947610583 + 6.872596513182 798339.1947824945 + 6.872596513386 798339.1948039295 + 6.624694440633 789945.8596750380 + 3.740145993443 505958.0389414766 + 3.617473726432 557113.4158324531 + 3.838035070393 631135.8551314208 + 4.327754506693 716053.1776466604 + 4.988716787412 799125.0866435367 + 5.756642876935 873775.9517856869 + 6.594374530180 937624.0493176598 + 7.479538855118 990343.9728419017 + 7.796754181002 1006217.2709227509 + 7.796754187188 1006217.2709400365 + 7.796754187688 1006217.2710079931 + 7.796754188189 1006217.2710759445 + 7.444818185356 989836.4754055454 diff --git a/mytest/KCl.out b/mytest/KCl.out index 187a6091b..2f8178135 100644 --- a/mytest/KCl.out +++ b/mytest/KCl.out @@ -1338,7 +1338,7 @@ Sylvite 0.00 1.16 1.16 1.000e+01 8.497e+00 -1.503e+00 pH = 5.395 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 220°C) = 1579674 + Specific Conductance (µS/cm, 220°C) = 1579673 Density (g/cm³) = 1.15021 Volume (L) = 1.61501 Viscosity (mPa s) = 0.27830 (solute contributions limited to 200 °C) @@ -1405,7 +1405,7 @@ Sylvite -0.00 0.97 0.97 1.000e+01 7.161e+00 -2.839e+00 pH = 5.326 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 250°C) = 1517626 + Specific Conductance (µS/cm, 250°C) = 1517625 Density (g/cm³) = 1.08435 Volume (L) = 1.80493 Viscosity (mPa s) = 0.25938 (solute contributions limited to 200 °C) diff --git a/mytest/KCl_101.sel b/mytest/KCl_101.sel index cdd5b2702..aee3121d6 100644 --- a/mytest/KCl_101.sel +++ b/mytest/KCl_101.sel @@ -1,22 +1,22 @@ Mu SC - 10.000000036020 497502.2251051892 - 4.108948726044 261239.2871110976 - 4.574456175046 338955.6364264176 - 4.791296925749 378825.6873074801 - 4.999195787564 419180.7935698843 - 5.392644332593 500930.2685132358 - 5.762750673292 583509.0789688234 - 6.115920970599 666347.2605715396 - 6.457212719968 748919.7691122601 - 6.790562606820 830709.9201832897 - 7.118994326640 911193.9541364941 - 7.444794667783 989835.3798624028 - 8.095414321820 1139369.8109286644 - 8.421843576209 1209086.0591110184 - 8.749974487776 1274661.2311582975 - 9.080173240414 1335495.9727627854 - 9.412705786190 1390980.9220777075 - 10.086083096514 1483372.7534768903 - 10.776094091966 1546287.9496911671 - 11.503369401090 1579674.0482480924 - 12.839095452557 1517626.0510058242 + 10.000000036020 497502.2233946550 + 4.108948726044 261239.2861206737 + 4.574456175046 338955.6347888230 + 4.791296925749 378825.6852336336 + 4.999195787564 419180.7909677575 + 5.392644332593 500930.2645217942 + 5.762750673292 583509.0730417105 + 6.115920970599 666347.2520309705 + 6.457212719968 748919.7571450896 + 6.790562606820 830709.9038442926 + 7.118994326640 911193.9323597196 + 7.444794667783 989835.3514810014 + 8.095414321820 1139369.7655803168 + 8.421843576209 1209086.0033709626 + 8.749974487776 1274661.1638106664 + 9.080173240414 1335495.8926978754 + 9.412705786190 1390980.8283456811 + 10.086083096514 1483372.6304717108 + 10.776094091966 1546287.7969018961 + 11.503369401090 1579673.8663851947 + 12.839095452557 1517625.8451166507 diff --git a/mytest/KinSorbNp.out b/mytest/KinSorbNp.out index d2f18b179..09096f1bb 100644 --- a/mytest/KinSorbNp.out +++ b/mytest/KinSorbNp.out @@ -148,7 +148,6 @@ H(0) 8.531e-30 H2 4.266e-30 4.266e-30 -29.370 -29.370 0.000 28.61 Na 5.115e-05 Na+ 5.115e-05 5.073e-05 -4.291 -4.295 -0.004 -1.51 - NaOH 2.573e-19 2.573e-19 -18.590 -18.589 0.000 (0) O(0) 4.582e-34 O2 2.291e-34 2.291e-34 -33.640 -33.640 0.000 30.40 @@ -383,8 +382,8 @@ C(4) 4.917e-05 [Np]O2(CO3)- 5.993e-08 5.918e-08 -7.222 -7.228 -0.006 (0) CO2 1.746e-08 1.746e-08 -7.758 -7.758 0.000 34.43 NaHCO3 3.675e-09 3.675e-09 -8.435 -8.435 0.000 31.73 - [Np]O2(CO3)2-3 1.524e-10 1.360e-10 -9.817 -9.867 -0.050 (0) NpO2(CO3)2-3 1.524e-10 1.360e-10 -9.817 -9.867 -0.050 (0) + [Np]O2(CO3)2-3 1.524e-10 1.360e-10 -9.817 -9.867 -0.050 (0) NpO2(CO3)3-5 5.398e-14 3.932e-14 -13.268 -13.405 -0.138 (0) [Np]O2(CO3)3-5 5.398e-14 3.932e-14 -13.268 -13.405 -0.138 (0) (CO2)2 5.593e-18 5.594e-18 -17.252 -17.252 0.000 68.87 @@ -393,7 +392,6 @@ H(0) 8.531e-30 Na 1.098e-04 Na+ 1.098e-04 1.084e-04 -3.959 -3.965 -0.005 -1.51 NaHCO3 3.675e-09 3.675e-09 -8.435 -8.435 0.000 31.73 - NaOH 5.500e-19 5.501e-19 -18.260 -18.260 0.000 (0) Np 1.250e-06 NpO2(OH) 1.025e-06 1.025e-06 -5.989 -5.989 0.000 (0) NpO2+ 1.646e-07 1.625e-07 -6.784 -6.789 -0.006 (0) @@ -542,7 +540,6 @@ H(0) 8.531e-30 Na 1.101e-04 Na+ 1.101e-04 1.087e-04 -3.958 -3.964 -0.005 -1.51 NaHCO3 3.688e-09 3.688e-09 -8.433 -8.433 0.000 31.73 - NaOH 5.514e-19 5.515e-19 -18.259 -18.258 0.000 (0) Np 1.250e-06 NpO2(OH) 1.025e-06 1.025e-06 -5.989 -5.989 0.000 (0) NpO2+ 1.645e-07 1.624e-07 -6.784 -6.789 -0.006 (0) @@ -687,7 +684,6 @@ H(0) 8.531e-30 Na 1.101e-04 Na+ 1.101e-04 1.087e-04 -3.958 -3.964 -0.005 -1.51 NaHCO3 3.688e-09 3.688e-09 -8.433 -8.433 0.000 31.73 - NaOH 5.514e-19 5.515e-19 -18.259 -18.258 0.000 (0) Np 1.248e-06 NpO2(OH) 1.024e-06 1.024e-06 -5.990 -5.990 0.000 (0) NpO2+ 1.643e-07 1.623e-07 -6.784 -6.790 -0.006 (0) @@ -832,7 +828,6 @@ H(0) 8.531e-30 Na 1.101e-04 Na+ 1.101e-04 1.087e-04 -3.958 -3.964 -0.005 -1.51 NaHCO3 3.688e-09 3.688e-09 -8.433 -8.433 0.000 31.73 - NaOH 5.514e-19 5.515e-19 -18.258 -18.258 0.000 (0) Np 1.243e-06 NpO2(OH) 1.020e-06 1.020e-06 -5.991 -5.991 0.000 (0) NpO2+ 1.637e-07 1.616e-07 -6.786 -6.791 -0.006 (0) @@ -977,7 +972,6 @@ H(0) 8.531e-30 Na 1.101e-04 Na+ 1.101e-04 1.087e-04 -3.958 -3.964 -0.005 -1.51 NaHCO3 3.688e-09 3.688e-09 -8.433 -8.433 0.000 31.73 - NaOH 5.515e-19 5.515e-19 -18.258 -18.258 0.000 (0) Np 1.230e-06 NpO2(OH) 1.009e-06 1.009e-06 -5.996 -5.996 0.000 (0) NpO2+ 1.619e-07 1.599e-07 -6.791 -6.796 -0.006 (0) @@ -1122,7 +1116,6 @@ H(0) 8.531e-30 Na 1.101e-04 Na+ 1.101e-04 1.087e-04 -3.958 -3.964 -0.005 -1.51 NaHCO3 3.688e-09 3.688e-09 -8.433 -8.433 0.000 31.73 - NaOH 5.515e-19 5.515e-19 -18.258 -18.258 0.000 (0) Np 1.186e-06 NpO2(OH) 9.732e-07 9.732e-07 -6.012 -6.012 0.000 (0) NpO2+ 1.562e-07 1.542e-07 -6.806 -6.812 -0.006 (0) @@ -1267,7 +1260,6 @@ H(0) 8.531e-30 Na 1.101e-04 Na+ 1.101e-04 1.087e-04 -3.958 -3.964 -0.005 -1.51 NaHCO3 3.689e-09 3.689e-09 -8.433 -8.433 0.000 31.73 - NaOH 5.516e-19 5.516e-19 -18.258 -18.258 0.000 (0) Np 1.069e-06 NpO2(OH) 8.770e-07 8.771e-07 -6.057 -6.057 0.000 (0) NpO2+ 1.408e-07 1.390e-07 -6.851 -6.857 -0.006 (0) @@ -1412,7 +1404,6 @@ H(0) 8.531e-30 Na 1.102e-04 Na+ 1.102e-04 1.088e-04 -3.958 -3.963 -0.005 -1.51 NaHCO3 3.691e-09 3.692e-09 -8.433 -8.433 0.000 31.73 - NaOH 5.518e-19 5.518e-19 -18.258 -18.258 0.000 (0) Np 7.856e-07 NpO2(OH) 6.443e-07 6.444e-07 -6.191 -6.191 0.000 (0) NpO2+ 1.034e-07 1.021e-07 -6.985 -6.991 -0.006 (0) @@ -1557,7 +1548,6 @@ H(0) 8.531e-30 Na 1.102e-04 Na+ 1.102e-04 1.088e-04 -3.958 -3.963 -0.005 -1.51 NaHCO3 3.694e-09 3.695e-09 -8.432 -8.432 0.000 31.73 - NaOH 5.520e-19 5.520e-19 -18.258 -18.258 0.000 (0) Np 4.241e-07 NpO2(OH) 3.479e-07 3.479e-07 -6.459 -6.459 0.000 (0) NpO2+ 5.584e-08 5.513e-08 -7.253 -7.259 -0.006 (0) @@ -1702,7 +1692,6 @@ H(0) 8.531e-30 Na 1.102e-04 Na+ 1.102e-04 1.088e-04 -3.958 -3.963 -0.005 -1.51 NaHCO3 3.696e-09 3.696e-09 -8.432 -8.432 0.000 31.73 - NaOH 5.521e-19 5.521e-19 -18.258 -18.258 0.000 (0) Np 2.756e-07 NpO2(OH) 2.261e-07 2.261e-07 -6.646 -6.646 0.000 (0) NpO2+ 3.629e-08 3.583e-08 -7.440 -7.446 -0.006 (0) @@ -1847,7 +1836,6 @@ H(0) 8.531e-30 Na 1.102e-04 Na+ 1.102e-04 1.088e-04 -3.958 -3.963 -0.005 -1.51 NaHCO3 3.696e-09 3.696e-09 -8.432 -8.432 0.000 31.73 - NaOH 5.521e-19 5.521e-19 -18.258 -18.258 0.000 (0) Np 2.798e-07 NpO2(OH) 2.295e-07 2.295e-07 -6.639 -6.639 0.000 (0) NpO2+ 3.684e-08 3.638e-08 -7.434 -7.439 -0.006 (0) @@ -1992,7 +1980,6 @@ H(0) 8.531e-30 Na 1.102e-04 Na+ 1.102e-04 1.088e-04 -3.958 -3.963 -0.005 -1.51 NaHCO3 3.696e-09 3.696e-09 -8.432 -8.432 0.000 31.73 - NaOH 5.521e-19 5.521e-19 -18.258 -18.258 0.000 (0) Np 2.799e-07 NpO2(OH) 2.295e-07 2.296e-07 -6.639 -6.639 0.000 (0) NpO2+ 3.685e-08 3.638e-08 -7.434 -7.439 -0.006 (0) diff --git a/mytest/KinSorbNp_101.sel b/mytest/KinSorbNp_101.sel index fc081b692..decf90d98 100644 --- a/mytest/KinSorbNp_101.sel +++ b/mytest/KinSorbNp_101.sel @@ -1,15 +1,15 @@ Mu SC - 0.000051152362 12.5628710497 - 0.000051152362 12.5628710496 - 0.000119762333 17.7396704851 - 0.000119851528 17.7561673471 - 0.000119851554 17.7561814224 - 0.000119851642 17.7562277318 - 0.000119851894 17.7563616647 - 0.000119852694 17.7567860307 - 0.000119854859 17.7579340676 - 0.000119860101 17.7607136835 - 0.000119866786 17.7642563542 - 0.000119869532 17.7657118000 - 0.000119869455 17.7656705083 - 0.000119869454 17.7656701948 + 0.000051152362 12.5628712531 + 0.000051152362 12.5628712530 + 0.000119762333 17.7396587402 + 0.000119851528 17.7561555660 + 0.000119851554 17.7561696412 + 0.000119851642 17.7562159506 + 0.000119851894 17.7563498832 + 0.000119852694 17.7567742482 + 0.000119854859 17.7579222825 + 0.000119860101 17.7607018923 + 0.000119866786 17.7642445551 + 0.000119869532 17.7656999975 + 0.000119869455 17.7656587059 + 0.000119869454 17.7656583925 diff --git a/mytest/M_M2Cl_SC.out b/mytest/M_M2Cl_SC.out index 2136a8882..b0e3fe0fc 100644 --- a/mytest/M_M2Cl_SC.out +++ b/mytest/M_M2Cl_SC.out @@ -8286,10 +8286,10 @@ Initial solution 34. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 184682 + Specific Conductance (µS/cm, 25°C) = 184681 Density (g/cm³) = 1.28785 Volume (L) = 1.12121 - Viscosity (mPa s) = 3.33627 + Viscosity (mPa s) = 3.33628 Activity of water = 0.625 Ionic strength (mol/kgw) = 1.200e+01 Mass of water (kg) = 1.000e+00 @@ -8341,10 +8341,10 @@ Initial solution 35. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 124075 + Specific Conductance (µS/cm, 25°C) = 124074 Density (g/cm³) = 1.38921 Volume (L) = 1.19919 - Viscosity (mPa s) = 7.61336 + Viscosity (mPa s) = 7.61343 Activity of water = 0.379 Ionic strength (mol/kgw) = 1.800e+01 Mass of water (kg) = 1.000e+00 diff --git a/mytest/M_M2Cl_SC_101.sel b/mytest/M_M2Cl_SC_101.sel index 87d130d6b..9f0d42f45 100644 --- a/mytest/M_M2Cl_SC_101.sel +++ b/mytest/M_M2Cl_SC_101.sel @@ -1,145 +1,145 @@ Mu SC - 0.000952104171 106.4751277530 - 0.008450110767 906.4871861995 - 0.095230129775 9098.1850195185 - 0.504700151181 41025.2011591235 - 0.961300157555 70260.9780049111 - 1.021600157890 73742.7440534782 - 2.091700154159 123915.4567973883 - 3.211200140191 157974.9135485881 - 4.381500121428 178800.4081245081 - 5.605100100810 188519.2876203270 - 6.885100080311 189147.2275067391 - 0.000501593199 62.0523128367 - 0.001003104241 123.2818969816 - 0.005015308440 601.0168822316 - 0.010031111378 1181.2652435722 - 0.020066115236 2309.1046219682 - 0.050191121909 5543.3547333476 - 0.100470127977 10655.6563626351 - 0.125640130021 13126.5117608058 - 0.150840131682 15554.8776594047 - 0.176060133059 17945.7493396593 - 0.201310134216 20304.3955897691 - 0.251840136028 24931.8652010279 - 0.302490137347 29461.5421853993 - 0.404070138981 38265.9052855045 - 0.506030139713 46778.0411029903 - 0.608440139836 55038.7562794562 - 0.711170139519 63059.5958374843 - 0.814380138868 70867.6790342225 - 0.917990137956 78466.8948413043 - 1.022000136834 85864.6707698953 - 1.231400134106 100088.7428697292 - 1.442600130902 113570.4502511308 - 1.655600127362 126328.5256897139 - 1.870500123583 138382.2088827720 - 2.087200119640 149737.0887959652 - 2.638300109372 175203.9590983805 - 3.202500098963 196609.6190205912 - 3.780700088761 214179.4287937221 - 4.373800078981 228168.6183896284 - 4.982800069759 238859.4592901110 - 5.609200061168 246554.0454360029 - 6.058700055553 250317.3125729690 - 0.000501583194 73.7921548424 - 0.001003104233 146.7232120534 - 0.005014808398 717.3895523335 - 0.010029111294 1412.9575884332 - 0.020058115066 2769.9926372071 - 0.050145121483 6686.9389299044 - 0.100580127164 12967.4357788394 - 0.125810129016 16023.2663638375 - 0.151070130490 19039.5860992110 - 0.176380131685 22024.9355035923 - 0.201720132665 24981.3975224482 - 0.252510134140 30822.7230754488 - 0.303450135140 36583.8754639422 - 0.405770136190 47910.8844070840 - 0.508690136403 59026.1450876710 - 0.612200136067 69963.1884374290 - 0.716400135344 80753.3153850557 - 0.821140134337 91394.3340329903 - 0.926590133114 101912.2188257742 - 1.032700131723 112307.3843044579 - 1.247000128569 132751.6387059659 - 1.463900125076 152726.9172168409 - 1.683800121360 172269.1932829384 - 1.906800117504 191376.8837954851 - 2.132700113573 210018.6697523684 - 2.711700103654 254593.1950467603 - 3.312600093925 296110.3545361199 - 3.937100084628 334320.4238217166 - 4.587700075894 369003.6947488626 - 0.000226527129 19.1306833237 - 0.000510849693 42.7608177462 - 0.000840188296 69.8469830262 - 0.001606276609 132.0258506600 - 0.003061588726 247.9219467874 - 0.004269083922 342.4672549538 - 0.006285376547 497.8650295165 - 0.007873271230 618.4703510293 - 0.009493866179 740.2061480492 - 0.012618657326 971.6646478181 - 0.015045051111 1148.8499902588 - 0.031689018218 2321.1821121644 - 0.070928970771 4906.5834220400 - 0.071882969885 4967.3017680664 - 0.076151966019 5238.0085871639 - 0.132929925662 8711.5649490860 - 0.207509889339 13016.5104146538 - 0.231509879810 14355.5443305335 - 0.272069865265 16576.1527909588 - 0.278039863263 16898.8481126566 - 0.377969833562 22161.7929873271 - 0.547589793357 30598.4533504528 - 0.550049792833 30716.8676260905 - 0.668129769011 36283.6319337769 - 0.702539762468 37864.9535993820 - 0.952799718266 48871.3458706864 - 1.182899680660 58308.2042084657 - 1.194599678791 58772.1500733052 - 1.966799558069 86428.1142856670 - 2.968499397085 114899.0877571134 - 4.794599072520 148882.0851997070 - 6.873598643244 163348.7901689892 - 8.879998160349 158696.2995930083 - 10.823997627049 144018.4784230535 - 12.647997075049 126689.3934116354 - 14.237996563970 111428.4006701257 + 0.000952104171 106.4751277030 + 0.008450110767 906.4871850840 + 0.095230129775 9098.1849850674 + 0.504700151181 41025.2008293908 + 0.961300157555 70260.9772968666 + 1.021600157890 73742.7432975730 + 2.091700154159 123915.4553907955 + 3.211200140191 157974.9118981268 + 4.381500121428 178800.4065665355 + 5.605100100810 188519.2863471014 + 6.885100080311 189147.2265769214 + 0.000501593199 62.0523128344 + 0.001003104241 123.2818969664 + 0.005015308440 601.0168819555 + 0.010031111378 1181.2652427423 + 0.020066115236 2309.1046195599 + 0.050191121909 5543.3547238406 + 0.100470127977 10655.6563363602 + 0.125640130021 13126.5117245251 + 0.150840131682 15554.8776122699 + 0.176060133059 17945.7492809452 + 0.201310134216 20304.3955188398 + 0.251840136028 24931.8651040859 + 0.302490137347 29461.5420606811 + 0.404070138981 38265.9051013769 + 0.506030139713 46778.0408560123 + 0.608440139836 55038.7559676706 + 0.711170139519 63059.5954601714 + 0.814380138868 70867.6785914697 + 0.917990137956 78466.8943339815 + 1.022000136834 85864.6701994680 + 1.231400134106 100088.7421792481 + 1.442600130902 113570.4494511398 + 1.655600127362 126328.5247926451 + 1.870500123583 138382.2079021156 + 2.087200119640 149737.0877457356 + 2.638300109372 175203.9579343818 + 3.202500098963 196609.6178210826 + 3.780700088761 214179.4276216124 + 4.373800078981 228168.6172903546 + 4.982800069759 238859.4582925463 + 5.609200061168 246554.0445550650 + 6.058700055553 250317.3117765954 + 0.000501583194 73.7921548523 + 0.001003104233 146.7232120650 + 0.005014808398 717.3895522354 + 0.010029111294 1412.9575880197 + 0.020058115066 2769.9926357896 + 0.050145121483 6686.9389235715 + 0.100580127164 12967.4357601573 + 0.125810129016 16023.2663375854 + 0.151070130490 19039.5860646344 + 0.176380131685 22024.9354600196 + 0.201720132665 24981.3974692850 + 0.252510134140 30822.7230015347 + 0.303450135140 36583.8753674698 + 0.405770136190 47910.8842611097 + 0.508690136403 59026.1448876051 + 0.612200136067 69963.1881798286 + 0.716400135344 80753.3150672989 + 0.821140134337 91394.3336532521 + 0.926590133114 101912.2183827234 + 1.032700131723 112307.3837973008 + 1.247000128569 132751.6380698673 + 1.463900125076 152726.9164533046 + 1.683800121360 172269.1923955600 + 1.906800117504 191376.8827896748 + 2.132700113573 210018.6686351238 + 2.711700103654 254593.1936877480 + 3.312600093925 296110.3529953750 + 3.937100084628 334320.4221624123 + 4.587700075894 369003.6930316067 + 0.000226527129 19.1306833166 + 0.000510849693 42.7608177256 + 0.000840188296 69.8469829878 + 0.001606276609 132.0258505805 + 0.003061588726 247.9219465901 + 0.004269083922 342.4672546531 + 0.006285376547 497.8650290265 + 0.007873271230 618.4703503791 + 0.009493866179 740.2061472275 + 0.012618657326 971.6646466474 + 0.015045051111 1148.8499888034 + 0.031689018218 2321.1821085393 + 0.070928970771 4906.5834124201 + 0.071882969885 4967.3017582899 + 0.076151966019 5238.0085766812 + 0.132929925662 8711.5649285183 + 0.207509889339 13016.5103793780 + 0.231509879810 14355.5442902632 + 0.272069865265 16576.1527420208 + 0.278039863263 16898.8480624214 + 0.377969833562 22161.7929147494 + 0.547589793357 30598.4532383624 + 0.550049792833 30716.8675134207 + 0.668129769011 36283.6317933300 + 0.702539762468 37864.9534508895 + 0.952799718266 48871.3456654484 + 1.182899680660 58308.2039553720 + 1.194599678791 58772.1498179173 + 1.966799558069 86428.1139143087 + 2.968499397085 114899.0873377628 + 4.794599072520 148882.0848733646 + 6.873598643244 163348.7900015114 + 8.879998160349 158696.2995223996 + 10.823997627049 144018.4783959114 + 12.647997075049 126689.3934011555 + 14.237996563970 111428.4006656290 15.728996071841 98067.7968040451 - 0.000228102446 20.2423305202 - 0.000752203996 65.8510631520 - 0.001504605448 130.2288266369 - 0.002265106583 194.4001783317 - 0.003009107524 256.5031613414 - 0.004515109126 380.5857138238 - 0.007524111665 623.5410597117 - 0.010533113721 861.4961991785 - 0.012093114667 983.2763690132 - 0.015045116294 1211.2085768202 - 0.022650119827 1786.0419638813 - 0.030090122701 2334.8362551082 - 0.043200126937 3277.2646609583 - 0.063030132171 4658.2941824219 - 0.075270134963 5490.0808345405 - 0.079050135775 5744.2665894205 - 0.096450139279 6899.9353316985 - 0.115380142744 8133.6972534504 - 0.119730143499 8414.1444540353 - 0.130412145301 9098.4910015494 - 0.145260147693 10039.7146708998 - 0.146250147849 10102.0985238516 - 0.149070148289 10279.5477166805 - 0.150000148433 10337.9877468534 - 0.150600148526 10375.6700027950 - 0.163500150486 11181.9679033464 - 0.226500159245 15026.4430142119 - 0.300000168381 19352.9959003261 - 1.131900257469 61763.8335514291 - 1.500000300337 77932.8981011174 - 3.000000543543 131954.5604222440 - 6.000001746483 193295.6448236689 - 9.000005708172 204392.8173961914 - 12.000019429561 184682.2326697772 - 18.000267828494 124075.4832450008 + 0.000228102446 20.2423305160 + 0.000752203996 65.8510631288 + 0.001504605448 130.2288265745 + 0.002265106583 194.4001782199 + 0.003009107524 256.5031611738 + 0.004515109126 380.5857135247 + 0.007524111665 623.5410590906 + 0.010533113721 861.4961981717 + 0.012093114667 983.2763677851 + 0.015045116294 1211.2085751374 + 0.022650119827 1786.0419608379 + 0.030090122701 2334.8362505052 + 0.043200126937 3277.2646531356 + 0.063030132171 4658.2941687388 + 0.075270134963 5490.0808167077 + 0.079050135775 5744.2665702293 + 0.096450139279 6899.9353058074 + 0.115380142744 8133.6972194728 + 0.119730143499 8414.1444180864 + 0.130412145301 9098.4909605851 + 0.145260147693 10039.7146225598 + 0.146250147849 10102.0984750034 + 0.149070148289 10279.5476663734 + 0.150000148433 10337.9876960616 + 0.150600148526 10375.6699516895 + 0.163500150486 11181.9678453178 + 0.226500159245 15026.4429176049 + 0.300000168381 19352.9957491127 + 1.131900257469 61763.8321015423 + 1.500000300337 77932.8956639875 + 3.000000543543 131954.5507927489 + 6.000001746483 193295.5972119061 + 9.000005708172 204392.6729081120 + 12.000019429561 184681.8614117529 + 18.000267828494 124074.5470078804 diff --git a/mytest/McBride_rho.out b/mytest/McBride_rho.out index 7f5a985f4..d204c0ed5 100644 --- a/mytest/McBride_rho.out +++ b/mytest/McBride_rho.out @@ -59,10 +59,10 @@ Initial solution 1. pH = 3.433 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 2°C) = 92 + Specific Conductance (µS/cm, 2°C) = 75 Density (g/cm³) = 1.00508 Volume (L) = 1.01603 - Viscosity (mPa s) = 1.70222 + Viscosity (mPa s) = 1.82827 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.791e-04 Mass of water (kg) = 1.000e+00 @@ -121,10 +121,10 @@ Using pressure 1. pH = 3.433 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 92 + Specific Conductance (µS/cm, 2°C) = 75 Density (g/cm³) = 1.00508 Volume (L) = 1.01603 - Viscosity (mPa s) = 1.70222 + Viscosity (mPa s) = 1.82827 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.791e-04 Mass of water (kg) = 1.000e+00 @@ -179,10 +179,10 @@ Using pressure 1. pH = 3.404 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 101 + Specific Conductance (µS/cm, 2°C) = 81 Density (g/cm³) = 1.01008 Volume (L) = 1.01101 - Viscosity (mPa s) = 1.68323 + Viscosity (mPa s) = 1.80829 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.050e-04 Mass of water (kg) = 1.000e+00 @@ -238,10 +238,10 @@ Using pressure 1. pH = 3.376 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 109 + Specific Conductance (µS/cm, 2°C) = 89 Density (g/cm³) = 1.01496 Volume (L) = 1.00615 - Viscosity (mPa s) = 1.66613 + Viscosity (mPa s) = 1.79031 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.321e-04 Mass of water (kg) = 1.000e+00 @@ -297,10 +297,10 @@ Using pressure 1. pH = 3.349 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 119 + Specific Conductance (µS/cm, 2°C) = 96 Density (g/cm³) = 1.01972 Volume (L) = 1.00145 - Viscosity (mPa s) = 1.65087 + Viscosity (mPa s) = 1.77428 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.605e-04 Mass of water (kg) = 1.000e+00 @@ -356,10 +356,10 @@ Using pressure 1. pH = 3.322 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 129 + Specific Conductance (µS/cm, 2°C) = 104 Density (g/cm³) = 1.02436 Volume (L) = 0.99692 - Viscosity (mPa s) = 1.63737 + Viscosity (mPa s) = 1.76011 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.903e-04 Mass of water (kg) = 1.000e+00 @@ -415,10 +415,10 @@ Using pressure 1. pH = 3.296 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 139 + Specific Conductance (µS/cm, 2°C) = 113 Density (g/cm³) = 1.02887 Volume (L) = 0.99254 - Viscosity (mPa s) = 1.62554 + Viscosity (mPa s) = 1.74772 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.214e-04 Mass of water (kg) = 1.000e+00 @@ -474,10 +474,10 @@ Using pressure 1. pH = 3.270 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 150 + Specific Conductance (µS/cm, 2°C) = 121 Density (g/cm³) = 1.03327 Volume (L) = 0.98831 - Viscosity (mPa s) = 1.61530 + Viscosity (mPa s) = 1.73702 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.540e-04 Mass of water (kg) = 1.000e+00 @@ -533,10 +533,10 @@ Using pressure 1. pH = 3.244 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 162 + Specific Conductance (µS/cm, 2°C) = 130 Density (g/cm³) = 1.03757 Volume (L) = 0.98422 - Viscosity (mPa s) = 1.60656 + Viscosity (mPa s) = 1.72790 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.880e-04 Mass of water (kg) = 1.000e+00 @@ -592,10 +592,10 @@ Using pressure 1. pH = 3.219 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 174 + Specific Conductance (µS/cm, 2°C) = 140 Density (g/cm³) = 1.04176 Volume (L) = 0.98026 - Viscosity (mPa s) = 1.59922 + Viscosity (mPa s) = 1.72029 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.236e-04 Mass of water (kg) = 1.000e+00 @@ -651,10 +651,10 @@ Using pressure 1. pH = 3.194 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 186 + Specific Conductance (µS/cm, 2°C) = 150 Density (g/cm³) = 1.04587 Volume (L) = 0.97641 - Viscosity (mPa s) = 1.59321 + Viscosity (mPa s) = 1.71409 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.608e-04 Mass of water (kg) = 1.000e+00 @@ -710,10 +710,10 @@ Using pressure 1. pH = 3.169 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 199 + Specific Conductance (µS/cm, 2°C) = 161 Density (g/cm³) = 1.04991 Volume (L) = 0.97266 - Viscosity (mPa s) = 1.58846 + Viscosity (mPa s) = 1.70923 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.997e-04 Mass of water (kg) = 1.000e+00 @@ -787,10 +787,10 @@ Using pressure 1. pH = 3.341 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 171 + Specific Conductance (µS/cm, 23°C) = 153 Density (g/cm³) = 1.00216 Volume (L) = 1.01900 - Viscosity (mPa s) = 0.93232 + Viscosity (mPa s) = 0.96902 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.693e-04 Mass of water (kg) = 1.000e+00 @@ -846,10 +846,10 @@ Using pressure 1. pH = 3.317 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 183 + Specific Conductance (µS/cm, 23°C) = 164 Density (g/cm³) = 1.00664 Volume (L) = 1.01446 - Viscosity (mPa s) = 0.93051 + Viscosity (mPa s) = 0.96722 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.971e-04 Mass of water (kg) = 1.000e+00 @@ -906,10 +906,10 @@ Using pressure 1. pH = 3.292 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 196 + Specific Conductance (µS/cm, 23°C) = 175 Density (g/cm³) = 1.01106 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.92908 + Viscosity (mPa s) = 0.96580 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.259e-04 Mass of water (kg) = 1.000e+00 @@ -966,10 +966,10 @@ Using pressure 1. pH = 3.269 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 209 + Specific Conductance (µS/cm, 23°C) = 186 Density (g/cm³) = 1.01541 Volume (L) = 1.00570 - Viscosity (mPa s) = 0.92804 + Viscosity (mPa s) = 0.96479 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.555e-04 Mass of water (kg) = 1.000e+00 @@ -1026,10 +1026,10 @@ Using pressure 1. pH = 3.246 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 222 + Specific Conductance (µS/cm, 23°C) = 198 Density (g/cm³) = 1.01967 Volume (L) = 1.00150 - Viscosity (mPa s) = 0.92737 + Viscosity (mPa s) = 0.96417 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.861e-04 Mass of water (kg) = 1.000e+00 @@ -1086,10 +1086,10 @@ Using pressure 1. pH = 3.223 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 236 + Specific Conductance (µS/cm, 23°C) = 211 Density (g/cm³) = 1.02385 Volume (L) = 0.99741 - Viscosity (mPa s) = 0.92709 + Viscosity (mPa s) = 0.96395 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.176e-04 Mass of water (kg) = 1.000e+00 @@ -1146,10 +1146,10 @@ Using pressure 1. pH = 3.201 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 250 + Specific Conductance (µS/cm, 23°C) = 224 Density (g/cm³) = 1.02794 Volume (L) = 0.99344 - Viscosity (mPa s) = 0.92719 + Viscosity (mPa s) = 0.96411 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.501e-04 Mass of water (kg) = 1.000e+00 @@ -1206,10 +1206,10 @@ Using pressure 1. pH = 3.180 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 265 + Specific Conductance (µS/cm, 23°C) = 237 Density (g/cm³) = 1.03195 Volume (L) = 0.98958 - Viscosity (mPa s) = 0.92764 + Viscosity (mPa s) = 0.96466 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.836e-04 Mass of water (kg) = 1.000e+00 @@ -1266,10 +1266,10 @@ Using pressure 1. pH = 3.159 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 280 + Specific Conductance (µS/cm, 23°C) = 250 Density (g/cm³) = 1.03588 Volume (L) = 0.98583 - Viscosity (mPa s) = 0.92846 + Viscosity (mPa s) = 0.96558 Activity of water = 0.991 Ionic strength (mol/kgw) = 7.181e-04 Mass of water (kg) = 1.000e+00 @@ -1326,10 +1326,10 @@ Using pressure 1. pH = 3.138 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 296 + Specific Conductance (µS/cm, 23°C) = 264 Density (g/cm³) = 1.03974 Volume (L) = 0.98216 - Viscosity (mPa s) = 0.92963 + Viscosity (mPa s) = 0.96686 Activity of water = 0.991 Ionic strength (mol/kgw) = 7.536e-04 Mass of water (kg) = 1.000e+00 @@ -1386,10 +1386,10 @@ Using pressure 1. pH = 3.118 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 312 + Specific Conductance (µS/cm, 23°C) = 279 Density (g/cm³) = 1.04356 Volume (L) = 0.97858 - Viscosity (mPa s) = 0.93116 + Viscosity (mPa s) = 0.96851 Activity of water = 0.991 Ionic strength (mol/kgw) = 7.902e-04 Mass of water (kg) = 1.000e+00 @@ -1463,10 +1463,10 @@ Using pressure 1. pH = 3.309 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 254 + Specific Conductance (µS/cm, 50°C) = 240 Density (g/cm³) = 0.99201 Volume (L) = 1.02943 - Viscosity (mPa s) = 0.54388 + Viscosity (mPa s) = 0.55471 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.072e-04 Mass of water (kg) = 1.000e+00 @@ -1522,10 +1522,10 @@ Using pressure 1. pH = 3.286 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 269 + Specific Conductance (µS/cm, 50°C) = 254 Density (g/cm³) = 0.99632 Volume (L) = 1.02497 - Viscosity (mPa s) = 0.54594 + Viscosity (mPa s) = 0.55684 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.349e-04 Mass of water (kg) = 1.000e+00 @@ -1582,10 +1582,10 @@ Using pressure 1. pH = 3.264 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 284 + Specific Conductance (µS/cm, 50°C) = 269 Density (g/cm³) = 1.00057 Volume (L) = 1.02062 - Viscosity (mPa s) = 0.54808 + Viscosity (mPa s) = 0.55904 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.632e-04 Mass of water (kg) = 1.000e+00 @@ -1642,10 +1642,10 @@ Using pressure 1. pH = 3.242 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 300 + Specific Conductance (µS/cm, 50°C) = 283 Density (g/cm³) = 1.00473 Volume (L) = 1.01639 - Viscosity (mPa s) = 0.55029 + Viscosity (mPa s) = 0.56133 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.920e-04 Mass of water (kg) = 1.000e+00 @@ -1702,10 +1702,10 @@ Using pressure 1. pH = 3.221 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 316 + Specific Conductance (µS/cm, 50°C) = 299 Density (g/cm³) = 1.00882 Volume (L) = 1.01227 - Viscosity (mPa s) = 0.55257 + Viscosity (mPa s) = 0.56368 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.214e-04 Mass of water (kg) = 1.000e+00 @@ -1762,10 +1762,10 @@ Using pressure 1. pH = 3.201 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 332 + Specific Conductance (µS/cm, 50°C) = 314 Density (g/cm³) = 1.01283 Volume (L) = 1.00827 - Viscosity (mPa s) = 0.55493 + Viscosity (mPa s) = 0.56612 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.514e-04 Mass of water (kg) = 1.000e+00 @@ -1822,10 +1822,10 @@ Using pressure 1. pH = 3.182 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 349 + Specific Conductance (µS/cm, 50°C) = 330 Density (g/cm³) = 1.01676 Volume (L) = 1.00437 - Viscosity (mPa s) = 0.55736 + Viscosity (mPa s) = 0.56863 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.819e-04 Mass of water (kg) = 1.000e+00 @@ -1882,10 +1882,10 @@ Using pressure 1. pH = 3.162 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 366 + Specific Conductance (µS/cm, 50°C) = 346 Density (g/cm³) = 1.02061 Volume (L) = 1.00057 - Viscosity (mPa s) = 0.55987 + Viscosity (mPa s) = 0.57122 Activity of water = 0.992 Ionic strength (mol/kgw) = 7.130e-04 Mass of water (kg) = 1.000e+00 @@ -1942,10 +1942,10 @@ Using pressure 1. pH = 3.144 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 383 + Specific Conductance (µS/cm, 50°C) = 362 Density (g/cm³) = 1.02440 Volume (L) = 0.99687 - Viscosity (mPa s) = 0.56247 + Viscosity (mPa s) = 0.57389 Activity of water = 0.992 Ionic strength (mol/kgw) = 7.447e-04 Mass of water (kg) = 1.000e+00 @@ -2002,10 +2002,10 @@ Using pressure 1. pH = 3.126 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 401 + Specific Conductance (µS/cm, 50°C) = 379 Density (g/cm³) = 1.02812 Volume (L) = 0.99326 - Viscosity (mPa s) = 0.56514 + Viscosity (mPa s) = 0.57664 Activity of water = 0.992 Ionic strength (mol/kgw) = 7.769e-04 Mass of water (kg) = 1.000e+00 @@ -2062,10 +2062,10 @@ Using pressure 1. pH = 3.108 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 419 + Specific Conductance (µS/cm, 50°C) = 395 Density (g/cm³) = 1.03179 Volume (L) = 0.98974 - Viscosity (mPa s) = 0.56790 + Viscosity (mPa s) = 0.57948 Activity of water = 0.992 Ionic strength (mol/kgw) = 8.098e-04 Mass of water (kg) = 1.000e+00 @@ -2139,10 +2139,10 @@ Using pressure 1. pH = 3.331 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 291 + Specific Conductance (µS/cm, 75°C) = 281 Density (g/cm³) = 0.97836 Volume (L) = 1.04379 - Viscosity (mPa s) = 0.37650 + Viscosity (mPa s) = 0.38129 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.825e-04 Mass of water (kg) = 1.000e+00 @@ -2198,10 +2198,10 @@ Using pressure 1. pH = 3.308 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 308 + Specific Conductance (µS/cm, 75°C) = 297 Density (g/cm³) = 0.98283 Volume (L) = 1.03904 - Viscosity (mPa s) = 0.37919 + Viscosity (mPa s) = 0.38403 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.084e-04 Mass of water (kg) = 1.000e+00 @@ -2258,10 +2258,10 @@ Using pressure 1. pH = 3.287 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 324 + Specific Conductance (µS/cm, 75°C) = 313 Density (g/cm³) = 0.98718 Volume (L) = 1.03446 - Viscosity (mPa s) = 0.38186 + Viscosity (mPa s) = 0.38677 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.346e-04 Mass of water (kg) = 1.000e+00 @@ -2318,10 +2318,10 @@ Using pressure 1. pH = 3.266 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 341 + Specific Conductance (µS/cm, 75°C) = 329 Density (g/cm³) = 0.99142 Volume (L) = 1.03003 - Viscosity (mPa s) = 0.38454 + Viscosity (mPa s) = 0.38950 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.611e-04 Mass of water (kg) = 1.000e+00 @@ -2378,10 +2378,10 @@ Using pressure 1. pH = 3.246 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 357 + Specific Conductance (µS/cm, 75°C) = 345 Density (g/cm³) = 0.99557 Volume (L) = 1.02575 - Viscosity (mPa s) = 0.38722 + Viscosity (mPa s) = 0.39223 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.879e-04 Mass of water (kg) = 1.000e+00 @@ -2438,10 +2438,10 @@ Using pressure 1. pH = 3.226 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 374 + Specific Conductance (µS/cm, 75°C) = 361 Density (g/cm³) = 0.99962 Volume (L) = 1.02159 - Viscosity (mPa s) = 0.38990 + Viscosity (mPa s) = 0.39497 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.150e-04 Mass of water (kg) = 1.000e+00 @@ -2498,10 +2498,10 @@ Using pressure 1. pH = 3.208 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 391 + Specific Conductance (µS/cm, 75°C) = 377 Density (g/cm³) = 1.00359 Volume (L) = 1.01755 - Viscosity (mPa s) = 0.39260 + Viscosity (mPa s) = 0.39772 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.424e-04 Mass of water (kg) = 1.000e+00 @@ -2558,10 +2558,10 @@ Using pressure 1. pH = 3.190 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 408 + Specific Conductance (µS/cm, 75°C) = 394 Density (g/cm³) = 1.00747 Volume (L) = 1.01362 - Viscosity (mPa s) = 0.39531 + Viscosity (mPa s) = 0.40048 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.701e-04 Mass of water (kg) = 1.000e+00 @@ -2618,10 +2618,10 @@ Using pressure 1. pH = 3.172 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 426 + Specific Conductance (µS/cm, 75°C) = 410 Density (g/cm³) = 1.01128 Volume (L) = 1.00980 - Viscosity (mPa s) = 0.39804 + Viscosity (mPa s) = 0.40326 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.981e-04 Mass of water (kg) = 1.000e+00 @@ -2678,10 +2678,10 @@ Using pressure 1. pH = 3.155 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 443 + Specific Conductance (µS/cm, 75°C) = 427 Density (g/cm³) = 1.01502 Volume (L) = 1.00609 - Viscosity (mPa s) = 0.40078 + Viscosity (mPa s) = 0.40606 Activity of water = 0.992 Ionic strength (mol/kgw) = 7.264e-04 Mass of water (kg) = 1.000e+00 @@ -2738,10 +2738,10 @@ Using pressure 1. pH = 3.138 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 461 + Specific Conductance (µS/cm, 75°C) = 444 Density (g/cm³) = 1.01867 Volume (L) = 1.00248 - Viscosity (mPa s) = 0.40353 + Viscosity (mPa s) = 0.40887 Activity of water = 0.992 Ionic strength (mol/kgw) = 7.550e-04 Mass of water (kg) = 1.000e+00 @@ -2815,10 +2815,10 @@ Using pressure 1. pH = 3.386 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 293 + Specific Conductance (µS/cm, 100°C) = 285 Density (g/cm³) = 0.96119 Volume (L) = 1.06243 - Viscosity (mPa s) = 0.28074 + Viscosity (mPa s) = 0.28339 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.250e-04 Mass of water (kg) = 1.000e+00 @@ -2875,10 +2875,10 @@ Using pressure 1. pH = 3.363 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 309 + Specific Conductance (µS/cm, 100°C) = 301 Density (g/cm³) = 0.96600 Volume (L) = 1.05714 - Viscosity (mPa s) = 0.28350 + Viscosity (mPa s) = 0.28620 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.484e-04 Mass of water (kg) = 1.000e+00 @@ -2935,10 +2935,10 @@ Using pressure 1. pH = 3.341 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 325 + Specific Conductance (µS/cm, 100°C) = 316 Density (g/cm³) = 0.97063 Volume (L) = 1.05209 - Viscosity (mPa s) = 0.28622 + Viscosity (mPa s) = 0.28896 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.719e-04 Mass of water (kg) = 1.000e+00 @@ -2995,10 +2995,10 @@ Using pressure 1. pH = 3.320 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 341 + Specific Conductance (µS/cm, 100°C) = 332 Density (g/cm³) = 0.97512 Volume (L) = 1.04725 - Viscosity (mPa s) = 0.28889 + Viscosity (mPa s) = 0.29168 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.954e-04 Mass of water (kg) = 1.000e+00 @@ -3055,10 +3055,10 @@ Using pressure 1. pH = 3.300 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 357 + Specific Conductance (µS/cm, 100°C) = 348 Density (g/cm³) = 0.97948 Volume (L) = 1.04259 - Viscosity (mPa s) = 0.29154 + Viscosity (mPa s) = 0.29438 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.191e-04 Mass of water (kg) = 1.000e+00 @@ -3115,10 +3115,10 @@ Using pressure 1. pH = 3.281 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 373 + Specific Conductance (µS/cm, 100°C) = 363 Density (g/cm³) = 0.98373 Volume (L) = 1.03809 - Viscosity (mPa s) = 0.29418 + Viscosity (mPa s) = 0.29706 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.428e-04 Mass of water (kg) = 1.000e+00 @@ -3175,10 +3175,10 @@ Using pressure 1. pH = 3.262 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 389 + Specific Conductance (µS/cm, 100°C) = 379 Density (g/cm³) = 0.98788 Volume (L) = 1.03373 - Viscosity (mPa s) = 0.29680 + Viscosity (mPa s) = 0.29973 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.667e-04 Mass of water (kg) = 1.000e+00 @@ -3235,10 +3235,10 @@ Using pressure 1. pH = 3.244 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 406 + Specific Conductance (µS/cm, 100°C) = 395 Density (g/cm³) = 0.99193 Volume (L) = 1.02951 - Viscosity (mPa s) = 0.29942 + Viscosity (mPa s) = 0.30238 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.906e-04 Mass of water (kg) = 1.000e+00 @@ -3295,10 +3295,10 @@ Using pressure 1. pH = 3.227 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 422 + Specific Conductance (µS/cm, 100°C) = 410 Density (g/cm³) = 0.99588 Volume (L) = 1.02542 - Viscosity (mPa s) = 0.30202 + Viscosity (mPa s) = 0.30503 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.146e-04 Mass of water (kg) = 1.000e+00 @@ -3355,10 +3355,10 @@ Using pressure 1. pH = 3.211 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 438 + Specific Conductance (µS/cm, 100°C) = 426 Density (g/cm³) = 0.99975 Volume (L) = 1.02145 - Viscosity (mPa s) = 0.30462 + Viscosity (mPa s) = 0.30767 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.387e-04 Mass of water (kg) = 1.000e+00 @@ -3415,10 +3415,10 @@ Using pressure 1. pH = 3.195 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 454 + Specific Conductance (µS/cm, 100°C) = 442 Density (g/cm³) = 1.00351 Volume (L) = 1.01762 - Viscosity (mPa s) = 0.30720 + Viscosity (mPa s) = 0.31029 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.629e-04 Mass of water (kg) = 1.000e+00 @@ -3492,10 +3492,10 @@ Using pressure 1. pH = 3.464 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 267 + Specific Conductance (µS/cm, 125°C) = 261 Density (g/cm³) = 0.94100 Volume (L) = 1.08523 - Viscosity (mPa s) = 0.22137 + Viscosity (mPa s) = 0.22301 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.548e-04 Mass of water (kg) = 1.000e+00 @@ -3552,10 +3552,10 @@ Using pressure 1. pH = 3.440 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 282 + Specific Conductance (µS/cm, 125°C) = 276 Density (g/cm³) = 0.94619 Volume (L) = 1.07927 - Viscosity (mPa s) = 0.22402 + Viscosity (mPa s) = 0.22571 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.753e-04 Mass of water (kg) = 1.000e+00 @@ -3612,10 +3612,10 @@ Using pressure 1. pH = 3.417 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 297 + Specific Conductance (µS/cm, 125°C) = 291 Density (g/cm³) = 0.95125 Volume (L) = 1.07354 - Viscosity (mPa s) = 0.22664 + Viscosity (mPa s) = 0.22839 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.960e-04 Mass of water (kg) = 1.000e+00 @@ -3672,10 +3672,10 @@ Using pressure 1. pH = 3.395 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 312 + Specific Conductance (µS/cm, 125°C) = 306 Density (g/cm³) = 0.95612 Volume (L) = 1.06806 - Viscosity (mPa s) = 0.22922 + Viscosity (mPa s) = 0.23101 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.167e-04 Mass of water (kg) = 1.000e+00 @@ -3732,10 +3732,10 @@ Using pressure 1. pH = 3.374 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 327 + Specific Conductance (µS/cm, 125°C) = 320 Density (g/cm³) = 0.96084 Volume (L) = 1.06282 - Viscosity (mPa s) = 0.23176 + Viscosity (mPa s) = 0.23360 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.372e-04 Mass of water (kg) = 1.000e+00 @@ -3792,10 +3792,10 @@ Using pressure 1. pH = 3.354 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 342 + Specific Conductance (µS/cm, 125°C) = 335 Density (g/cm³) = 0.96541 Volume (L) = 1.05779 - Viscosity (mPa s) = 0.23427 + Viscosity (mPa s) = 0.23616 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.577e-04 Mass of water (kg) = 1.000e+00 @@ -3852,10 +3852,10 @@ Using pressure 1. pH = 3.336 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 357 + Specific Conductance (µS/cm, 125°C) = 349 Density (g/cm³) = 0.96986 Volume (L) = 1.05294 - Viscosity (mPa s) = 0.23676 + Viscosity (mPa s) = 0.23869 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.781e-04 Mass of water (kg) = 1.000e+00 @@ -3912,10 +3912,10 @@ Using pressure 1. pH = 3.318 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 371 + Specific Conductance (µS/cm, 125°C) = 363 Density (g/cm³) = 0.97419 Volume (L) = 1.04826 - Viscosity (mPa s) = 0.23923 + Viscosity (mPa s) = 0.24121 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.984e-04 Mass of water (kg) = 1.000e+00 @@ -3972,10 +3972,10 @@ Using pressure 1. pH = 3.301 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 386 + Specific Conductance (µS/cm, 125°C) = 377 Density (g/cm³) = 0.97840 Volume (L) = 1.04374 - Viscosity (mPa s) = 0.24168 + Viscosity (mPa s) = 0.24370 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.186e-04 Mass of water (kg) = 1.000e+00 @@ -4032,10 +4032,10 @@ Using pressure 1. pH = 3.284 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 400 + Specific Conductance (µS/cm, 125°C) = 391 Density (g/cm³) = 0.98250 Volume (L) = 1.03938 - Viscosity (mPa s) = 0.24411 + Viscosity (mPa s) = 0.24617 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.387e-04 Mass of water (kg) = 1.000e+00 @@ -4092,10 +4092,10 @@ Using pressure 1. pH = 3.269 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 414 + Specific Conductance (µS/cm, 125°C) = 405 Density (g/cm³) = 0.98649 Volume (L) = 1.03518 - Viscosity (mPa s) = 0.24652 + Viscosity (mPa s) = 0.24861 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.588e-04 Mass of water (kg) = 1.000e+00 @@ -4169,10 +4169,10 @@ Using pressure 1. pH = 3.561 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 226 + Specific Conductance (µS/cm, 151°C) = 223 Density (g/cm³) = 0.91751 Volume (L) = 1.11301 - Viscosity (mPa s) = 0.18159 + Viscosity (mPa s) = 0.18249 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.838e-04 Mass of water (kg) = 1.000e+00 @@ -4229,10 +4229,10 @@ Using pressure 1. pH = 3.534 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 239 + Specific Conductance (µS/cm, 151°C) = 236 Density (g/cm³) = 0.92316 Volume (L) = 1.10620 - Viscosity (mPa s) = 0.18407 + Viscosity (mPa s) = 0.18505 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.015e-04 Mass of water (kg) = 1.000e+00 @@ -4289,10 +4289,10 @@ Using pressure 1. pH = 3.509 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 254 + Specific Conductance (µS/cm, 151°C) = 250 Density (g/cm³) = 0.92879 Volume (L) = 1.09949 - Viscosity (mPa s) = 0.18659 + Viscosity (mPa s) = 0.18765 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.197e-04 Mass of water (kg) = 1.000e+00 @@ -4349,10 +4349,10 @@ Using pressure 1. pH = 3.486 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 267 + Specific Conductance (µS/cm, 151°C) = 263 Density (g/cm³) = 0.93421 Volume (L) = 1.09312 - Viscosity (mPa s) = 0.18906 + Viscosity (mPa s) = 0.19020 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.377e-04 Mass of water (kg) = 1.000e+00 @@ -4409,10 +4409,10 @@ Using pressure 1. pH = 3.464 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 281 + Specific Conductance (µS/cm, 151°C) = 276 Density (g/cm³) = 0.93942 Volume (L) = 1.08705 - Viscosity (mPa s) = 0.19149 + Viscosity (mPa s) = 0.19269 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.554e-04 Mass of water (kg) = 1.000e+00 @@ -4469,10 +4469,10 @@ Using pressure 1. pH = 3.443 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 294 + Specific Conductance (µS/cm, 151°C) = 289 Density (g/cm³) = 0.94446 Volume (L) = 1.08125 - Viscosity (mPa s) = 0.19388 + Viscosity (mPa s) = 0.19515 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.729e-04 Mass of water (kg) = 1.000e+00 @@ -4529,10 +4529,10 @@ Using pressure 1. pH = 3.424 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 307 + Specific Conductance (µS/cm, 151°C) = 302 Density (g/cm³) = 0.94934 Volume (L) = 1.07570 - Viscosity (mPa s) = 0.19625 + Viscosity (mPa s) = 0.19757 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.901e-04 Mass of water (kg) = 1.000e+00 @@ -4589,10 +4589,10 @@ Using pressure 1. pH = 3.405 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 320 + Specific Conductance (µS/cm, 151°C) = 314 Density (g/cm³) = 0.95406 Volume (L) = 1.07038 - Viscosity (mPa s) = 0.19858 + Viscosity (mPa s) = 0.19995 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.071e-04 Mass of water (kg) = 1.000e+00 @@ -4649,10 +4649,10 @@ Using pressure 1. pH = 3.388 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 332 + Specific Conductance (µS/cm, 151°C) = 326 Density (g/cm³) = 0.95864 Volume (L) = 1.06526 - Viscosity (mPa s) = 0.20089 + Viscosity (mPa s) = 0.20231 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.240e-04 Mass of water (kg) = 1.000e+00 @@ -4709,10 +4709,10 @@ Using pressure 1. pH = 3.371 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 345 + Specific Conductance (µS/cm, 151°C) = 338 Density (g/cm³) = 0.96308 Volume (L) = 1.06034 - Viscosity (mPa s) = 0.20318 + Viscosity (mPa s) = 0.20464 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.406e-04 Mass of water (kg) = 1.000e+00 @@ -4769,10 +4769,10 @@ Using pressure 1. pH = 3.356 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 357 + Specific Conductance (µS/cm, 151°C) = 350 Density (g/cm³) = 0.96740 Volume (L) = 1.05561 - Viscosity (mPa s) = 0.20544 + Viscosity (mPa s) = 0.20695 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.570e-04 Mass of water (kg) = 1.000e+00 @@ -4846,10 +4846,10 @@ Using pressure 1. pH = 3.670 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 180 + Specific Conductance (µS/cm, 176°C) = 182 Density (g/cm³) = 0.89103 Volume (L) = 1.14608 - Viscosity (mPa s) = 0.15401 + Viscosity (mPa s) = 0.15346 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.204e-04 Mass of water (kg) = 1.000e+00 @@ -4909,7 +4909,7 @@ Using pressure 1. Specific Conductance (µS/cm, 176°C) = 193 Density (g/cm³) = 0.89721 Volume (L) = 1.13820 - Viscosity (mPa s) = 0.15631 + Viscosity (mPa s) = 0.15616 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.356e-04 Mass of water (kg) = 1.000e+00 @@ -4969,7 +4969,7 @@ Using pressure 1. Specific Conductance (µS/cm, 176°C) = 205 Density (g/cm³) = 0.90363 Volume (L) = 1.13011 - Viscosity (mPa s) = 0.15876 + Viscosity (mPa s) = 0.15891 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.517e-04 Mass of water (kg) = 1.000e+00 @@ -5026,10 +5026,10 @@ Using pressure 1. pH = 3.587 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 218 + Specific Conductance (µS/cm, 176°C) = 217 Density (g/cm³) = 0.90977 Volume (L) = 1.12248 - Viscosity (mPa s) = 0.16115 + Viscosity (mPa s) = 0.16152 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.674e-04 Mass of water (kg) = 1.000e+00 @@ -5086,10 +5086,10 @@ Using pressure 1. pH = 3.563 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 230 + Specific Conductance (µS/cm, 176°C) = 228 Density (g/cm³) = 0.91566 Volume (L) = 1.11526 - Viscosity (mPa s) = 0.16350 + Viscosity (mPa s) = 0.16403 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.827e-04 Mass of water (kg) = 1.000e+00 @@ -5146,10 +5146,10 @@ Using pressure 1. pH = 3.540 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 242 + Specific Conductance (µS/cm, 176°C) = 239 Density (g/cm³) = 0.92131 Volume (L) = 1.10842 - Viscosity (mPa s) = 0.16581 + Viscosity (mPa s) = 0.16646 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.976e-04 Mass of water (kg) = 1.000e+00 @@ -5206,10 +5206,10 @@ Using pressure 1. pH = 3.520 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 253 + Specific Conductance (µS/cm, 176°C) = 250 Density (g/cm³) = 0.92674 Volume (L) = 1.10193 - Viscosity (mPa s) = 0.16807 + Viscosity (mPa s) = 0.16883 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.122e-04 Mass of water (kg) = 1.000e+00 @@ -5266,10 +5266,10 @@ Using pressure 1. pH = 3.501 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 264 + Specific Conductance (µS/cm, 176°C) = 261 Density (g/cm³) = 0.93197 Volume (L) = 1.09574 - Viscosity (mPa s) = 0.17030 + Viscosity (mPa s) = 0.17115 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.264e-04 Mass of water (kg) = 1.000e+00 @@ -5326,10 +5326,10 @@ Using pressure 1. pH = 3.483 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 275 + Specific Conductance (µS/cm, 176°C) = 271 Density (g/cm³) = 0.93703 Volume (L) = 1.08983 - Viscosity (mPa s) = 0.17250 + Viscosity (mPa s) = 0.17343 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.403e-04 Mass of water (kg) = 1.000e+00 @@ -5386,10 +5386,10 @@ Using pressure 1. pH = 3.466 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 285 + Specific Conductance (µS/cm, 176°C) = 281 Density (g/cm³) = 0.94192 Volume (L) = 1.08417 - Viscosity (mPa s) = 0.17467 + Viscosity (mPa s) = 0.17567 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.539e-04 Mass of water (kg) = 1.000e+00 @@ -5446,10 +5446,10 @@ Using pressure 1. pH = 3.450 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 295 + Specific Conductance (µS/cm, 176°C) = 290 Density (g/cm³) = 0.94667 Volume (L) = 1.07872 - Viscosity (mPa s) = 0.17683 + Viscosity (mPa s) = 0.17789 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.672e-04 Mass of water (kg) = 1.000e+00 @@ -5529,10 +5529,10 @@ Initial solution 1. pH = 3.285 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 2°C) = 127 + Specific Conductance (µS/cm, 2°C) = 85 Density (g/cm³) = 1.00992 Volume (L) = 1.03150 - Viscosity (mPa s) = 1.70234 + Viscosity (mPa s) = 1.95042 Activity of water = 0.983 Ionic strength (mol/kgw) = 5.369e-04 Mass of water (kg) = 1.000e+00 @@ -5591,10 +5591,10 @@ Using pressure 1. pH = 3.285 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 127 + Specific Conductance (µS/cm, 2°C) = 85 Density (g/cm³) = 1.00992 Volume (L) = 1.03150 - Viscosity (mPa s) = 1.70234 + Viscosity (mPa s) = 1.95042 Activity of water = 0.983 Ionic strength (mol/kgw) = 5.369e-04 Mass of water (kg) = 1.000e+00 @@ -5649,10 +5649,10 @@ Using pressure 1. pH = 3.257 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 138 + Specific Conductance (µS/cm, 2°C) = 93 Density (g/cm³) = 1.01486 Volume (L) = 1.02648 - Viscosity (mPa s) = 1.68335 + Viscosity (mPa s) = 1.92948 Activity of water = 0.983 Ionic strength (mol/kgw) = 5.737e-04 Mass of water (kg) = 1.000e+00 @@ -5708,10 +5708,10 @@ Using pressure 1. pH = 3.229 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 150 + Specific Conductance (µS/cm, 2°C) = 101 Density (g/cm³) = 1.01968 Volume (L) = 1.02163 - Viscosity (mPa s) = 1.66626 + Viscosity (mPa s) = 1.91065 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.122e-04 Mass of water (kg) = 1.000e+00 @@ -5767,10 +5767,10 @@ Using pressure 1. pH = 3.201 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 163 + Specific Conductance (µS/cm, 2°C) = 109 Density (g/cm³) = 1.02438 Volume (L) = 1.01694 - Viscosity (mPa s) = 1.65101 + Viscosity (mPa s) = 1.89386 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.525e-04 Mass of water (kg) = 1.000e+00 @@ -5826,10 +5826,10 @@ Using pressure 1. pH = 3.175 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 177 + Specific Conductance (µS/cm, 2°C) = 118 Density (g/cm³) = 1.02896 Volume (L) = 1.01241 - Viscosity (mPa s) = 1.63751 + Viscosity (mPa s) = 1.87905 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.948e-04 Mass of water (kg) = 1.000e+00 @@ -5885,10 +5885,10 @@ Using pressure 1. pH = 3.148 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 191 + Specific Conductance (µS/cm, 2°C) = 128 Density (g/cm³) = 1.03342 Volume (L) = 1.00804 - Viscosity (mPa s) = 1.62569 + Viscosity (mPa s) = 1.86611 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.389e-04 Mass of water (kg) = 1.000e+00 @@ -5944,10 +5944,10 @@ Using pressure 1. pH = 3.122 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 206 + Specific Conductance (µS/cm, 2°C) = 138 Density (g/cm³) = 1.03777 Volume (L) = 1.00382 - Viscosity (mPa s) = 1.61546 + Viscosity (mPa s) = 1.85496 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.852e-04 Mass of water (kg) = 1.000e+00 @@ -6003,10 +6003,10 @@ Using pressure 1. pH = 3.096 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 222 + Specific Conductance (µS/cm, 2°C) = 148 Density (g/cm³) = 1.04201 Volume (L) = 0.99973 - Viscosity (mPa s) = 1.60672 + Viscosity (mPa s) = 1.84549 Activity of water = 0.983 Ionic strength (mol/kgw) = 8.335e-04 Mass of water (kg) = 1.000e+00 @@ -6062,10 +6062,10 @@ Using pressure 1. pH = 3.071 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 238 + Specific Conductance (µS/cm, 2°C) = 159 Density (g/cm³) = 1.04616 Volume (L) = 0.99577 - Viscosity (mPa s) = 1.59939 + Viscosity (mPa s) = 1.83760 Activity of water = 0.983 Ionic strength (mol/kgw) = 8.841e-04 Mass of water (kg) = 1.000e+00 @@ -6121,10 +6121,10 @@ Using pressure 1. pH = 3.046 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 255 + Specific Conductance (µS/cm, 2°C) = 170 Density (g/cm³) = 1.05022 Volume (L) = 0.99192 - Viscosity (mPa s) = 1.59339 + Viscosity (mPa s) = 1.83121 Activity of water = 0.983 Ionic strength (mol/kgw) = 9.369e-04 Mass of water (kg) = 1.000e+00 @@ -6180,10 +6180,10 @@ Using pressure 1. pH = 3.022 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 2°C) = 273 + Specific Conductance (µS/cm, 2°C) = 182 Density (g/cm³) = 1.05421 Volume (L) = 0.98816 - Viscosity (mPa s) = 1.58865 + Viscosity (mPa s) = 1.82625 Activity of water = 0.983 Ionic strength (mol/kgw) = 9.921e-04 Mass of water (kg) = 1.000e+00 @@ -6257,10 +6257,10 @@ Using pressure 1. pH = 3.200 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 231 + Specific Conductance (µS/cm, 23°C) = 186 Density (g/cm³) = 1.00649 Volume (L) = 1.03501 - Viscosity (mPa s) = 0.93239 + Viscosity (mPa s) = 1.00455 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.554e-04 Mass of water (kg) = 1.000e+00 @@ -6316,10 +6316,10 @@ Using pressure 1. pH = 3.175 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 248 + Specific Conductance (µS/cm, 23°C) = 199 Density (g/cm³) = 1.01094 Volume (L) = 1.03046 - Viscosity (mPa s) = 0.93058 + Viscosity (mPa s) = 1.00274 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.944e-04 Mass of water (kg) = 1.000e+00 @@ -6376,10 +6376,10 @@ Using pressure 1. pH = 3.151 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 265 + Specific Conductance (µS/cm, 23°C) = 213 Density (g/cm³) = 1.01533 Volume (L) = 1.02600 - Viscosity (mPa s) = 0.92915 + Viscosity (mPa s) = 1.00134 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.346e-04 Mass of water (kg) = 1.000e+00 @@ -6436,10 +6436,10 @@ Using pressure 1. pH = 3.128 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 282 + Specific Conductance (µS/cm, 23°C) = 227 Density (g/cm³) = 1.01965 Volume (L) = 1.02166 - Viscosity (mPa s) = 0.92811 + Viscosity (mPa s) = 1.00034 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.761e-04 Mass of water (kg) = 1.000e+00 @@ -6496,10 +6496,10 @@ Using pressure 1. pH = 3.105 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 300 + Specific Conductance (µS/cm, 23°C) = 242 Density (g/cm³) = 1.02388 Volume (L) = 1.01743 - Viscosity (mPa s) = 0.92745 + Viscosity (mPa s) = 0.99976 Activity of water = 0.983 Ionic strength (mol/kgw) = 8.189e-04 Mass of water (kg) = 1.000e+00 @@ -6556,10 +6556,10 @@ Using pressure 1. pH = 3.082 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 319 + Specific Conductance (µS/cm, 23°C) = 257 Density (g/cm³) = 1.02803 Volume (L) = 1.01333 - Viscosity (mPa s) = 0.92717 + Viscosity (mPa s) = 0.99959 Activity of water = 0.983 Ionic strength (mol/kgw) = 8.630e-04 Mass of water (kg) = 1.000e+00 @@ -6616,10 +6616,10 @@ Using pressure 1. pH = 3.060 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 339 + Specific Conductance (µS/cm, 23°C) = 272 Density (g/cm³) = 1.03209 Volume (L) = 1.00934 - Viscosity (mPa s) = 0.92727 + Viscosity (mPa s) = 0.99982 Activity of water = 0.983 Ionic strength (mol/kgw) = 9.085e-04 Mass of water (kg) = 1.000e+00 @@ -6676,10 +6676,10 @@ Using pressure 1. pH = 3.039 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 359 + Specific Conductance (µS/cm, 23°C) = 288 Density (g/cm³) = 1.03607 Volume (L) = 1.00546 - Viscosity (mPa s) = 0.92773 + Viscosity (mPa s) = 1.00044 Activity of water = 0.983 Ionic strength (mol/kgw) = 9.554e-04 Mass of water (kg) = 1.000e+00 @@ -6736,10 +6736,10 @@ Using pressure 1. pH = 3.017 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 379 + Specific Conductance (µS/cm, 23°C) = 305 Density (g/cm³) = 1.03998 Volume (L) = 1.00169 - Viscosity (mPa s) = 0.92855 + Viscosity (mPa s) = 1.00145 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.004e-03 Mass of water (kg) = 1.000e+00 @@ -6796,10 +6796,10 @@ Using pressure 1. pH = 2.997 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 400 + Specific Conductance (µS/cm, 23°C) = 322 Density (g/cm³) = 1.04382 Volume (L) = 0.99800 - Viscosity (mPa s) = 0.92972 + Viscosity (mPa s) = 1.00284 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.053e-03 Mass of water (kg) = 1.000e+00 @@ -6856,10 +6856,10 @@ Using pressure 1. pH = 2.976 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 23°C) = 422 + Specific Conductance (µS/cm, 23°C) = 339 Density (g/cm³) = 1.04760 Volume (L) = 0.99440 - Viscosity (mPa s) = 0.93125 + Viscosity (mPa s) = 1.00460 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.105e-03 Mass of water (kg) = 1.000e+00 @@ -6933,10 +6933,10 @@ Using pressure 1. pH = 3.173 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 338 + Specific Conductance (µS/cm, 50°C) = 303 Density (g/cm³) = 0.99586 Volume (L) = 1.04607 - Viscosity (mPa s) = 0.54392 + Viscosity (mPa s) = 0.56516 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.994e-04 Mass of water (kg) = 1.000e+00 @@ -6992,10 +6992,10 @@ Using pressure 1. pH = 3.150 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 358 + Specific Conductance (µS/cm, 50°C) = 321 Density (g/cm³) = 1.00017 Volume (L) = 1.04155 - Viscosity (mPa s) = 0.54598 + Viscosity (mPa s) = 0.56735 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.377e-04 Mass of water (kg) = 1.000e+00 @@ -7052,10 +7052,10 @@ Using pressure 1. pH = 3.128 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 379 + Specific Conductance (µS/cm, 50°C) = 340 Density (g/cm³) = 1.00441 Volume (L) = 1.03716 - Viscosity (mPa s) = 0.54811 + Viscosity (mPa s) = 0.56962 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.767e-04 Mass of water (kg) = 1.000e+00 @@ -7112,10 +7112,10 @@ Using pressure 1. pH = 3.107 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 400 + Specific Conductance (µS/cm, 50°C) = 358 Density (g/cm³) = 1.00857 Volume (L) = 1.03288 - Viscosity (mPa s) = 0.55032 + Viscosity (mPa s) = 0.57197 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.166e-04 Mass of water (kg) = 1.000e+00 @@ -7172,10 +7172,10 @@ Using pressure 1. pH = 3.086 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 422 + Specific Conductance (µS/cm, 50°C) = 378 Density (g/cm³) = 1.01265 Volume (L) = 1.02872 - Viscosity (mPa s) = 0.55261 + Viscosity (mPa s) = 0.57439 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.572e-04 Mass of water (kg) = 1.000e+00 @@ -7232,10 +7232,10 @@ Using pressure 1. pH = 3.066 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 443 + Specific Conductance (µS/cm, 50°C) = 397 Density (g/cm³) = 1.01665 Volume (L) = 1.02467 - Viscosity (mPa s) = 0.55497 + Viscosity (mPa s) = 0.57689 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.986e-04 Mass of water (kg) = 1.000e+00 @@ -7292,10 +7292,10 @@ Using pressure 1. pH = 3.046 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 466 + Specific Conductance (µS/cm, 50°C) = 417 Density (g/cm³) = 1.02058 Volume (L) = 1.02073 - Viscosity (mPa s) = 0.55740 + Viscosity (mPa s) = 0.57947 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.407e-04 Mass of water (kg) = 1.000e+00 @@ -7352,10 +7352,10 @@ Using pressure 1. pH = 3.027 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 488 + Specific Conductance (µS/cm, 50°C) = 437 Density (g/cm³) = 1.02443 Volume (L) = 1.01689 - Viscosity (mPa s) = 0.55991 + Viscosity (mPa s) = 0.58213 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.837e-04 Mass of water (kg) = 1.000e+00 @@ -7412,10 +7412,10 @@ Using pressure 1. pH = 3.008 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 511 + Specific Conductance (µS/cm, 50°C) = 458 Density (g/cm³) = 1.02821 Volume (L) = 1.01315 - Viscosity (mPa s) = 0.56251 + Viscosity (mPa s) = 0.58488 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.027e-03 Mass of water (kg) = 1.000e+00 @@ -7472,10 +7472,10 @@ Using pressure 1. pH = 2.990 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 535 + Specific Conductance (µS/cm, 50°C) = 478 Density (g/cm³) = 1.03193 Volume (L) = 1.00950 - Viscosity (mPa s) = 0.56518 + Viscosity (mPa s) = 0.58770 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.072e-03 Mass of water (kg) = 1.000e+00 @@ -7532,10 +7532,10 @@ Using pressure 1. pH = 2.972 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 559 + Specific Conductance (µS/cm, 50°C) = 500 Density (g/cm³) = 1.03558 Volume (L) = 1.00594 - Viscosity (mPa s) = 0.56794 + Viscosity (mPa s) = 0.59062 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.118e-03 Mass of water (kg) = 1.000e+00 @@ -7609,10 +7609,10 @@ Using pressure 1. pH = 3.199 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 385 + Specific Conductance (µS/cm, 75°C) = 359 Density (g/cm³) = 0.98176 Volume (L) = 1.06109 - Viscosity (mPa s) = 0.37652 + Viscosity (mPa s) = 0.38591 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.600e-04 Mass of water (kg) = 1.000e+00 @@ -7668,10 +7668,10 @@ Using pressure 1. pH = 3.176 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 407 + Specific Conductance (µS/cm, 75°C) = 379 Density (g/cm³) = 0.98626 Volume (L) = 1.05625 - Viscosity (mPa s) = 0.37921 + Viscosity (mPa s) = 0.38870 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.955e-04 Mass of water (kg) = 1.000e+00 @@ -7728,10 +7728,10 @@ Using pressure 1. pH = 3.155 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 428 + Specific Conductance (µS/cm, 75°C) = 400 Density (g/cm³) = 0.99063 Volume (L) = 1.05159 - Viscosity (mPa s) = 0.38188 + Viscosity (mPa s) = 0.39148 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.314e-04 Mass of water (kg) = 1.000e+00 @@ -7788,10 +7788,10 @@ Using pressure 1. pH = 3.134 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 450 + Specific Conductance (µS/cm, 75°C) = 420 Density (g/cm³) = 0.99489 Volume (L) = 1.04709 - Viscosity (mPa s) = 0.38456 + Viscosity (mPa s) = 0.39426 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.678e-04 Mass of water (kg) = 1.000e+00 @@ -7848,10 +7848,10 @@ Using pressure 1. pH = 3.114 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 472 + Specific Conductance (µS/cm, 75°C) = 440 Density (g/cm³) = 0.99905 Volume (L) = 1.04273 - Viscosity (mPa s) = 0.38724 + Viscosity (mPa s) = 0.39704 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.045e-04 Mass of water (kg) = 1.000e+00 @@ -7908,10 +7908,10 @@ Using pressure 1. pH = 3.094 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 495 + Specific Conductance (µS/cm, 75°C) = 461 Density (g/cm³) = 1.00311 Volume (L) = 1.03850 - Viscosity (mPa s) = 0.38992 + Viscosity (mPa s) = 0.39983 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.417e-04 Mass of water (kg) = 1.000e+00 @@ -7968,10 +7968,10 @@ Using pressure 1. pH = 3.076 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 517 + Specific Conductance (µS/cm, 75°C) = 482 Density (g/cm³) = 1.00709 Volume (L) = 1.03439 - Viscosity (mPa s) = 0.39262 + Viscosity (mPa s) = 0.40263 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.792e-04 Mass of water (kg) = 1.000e+00 @@ -8028,10 +8028,10 @@ Using pressure 1. pH = 3.058 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 540 + Specific Conductance (µS/cm, 75°C) = 503 Density (g/cm³) = 1.01099 Volume (L) = 1.03040 - Viscosity (mPa s) = 0.39533 + Viscosity (mPa s) = 0.40545 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.172e-04 Mass of water (kg) = 1.000e+00 @@ -8088,10 +8088,10 @@ Using pressure 1. pH = 3.040 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 563 + Specific Conductance (µS/cm, 75°C) = 524 Density (g/cm³) = 1.01482 Volume (L) = 1.02652 - Viscosity (mPa s) = 0.39806 + Viscosity (mPa s) = 0.40828 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.556e-04 Mass of water (kg) = 1.000e+00 @@ -8148,10 +8148,10 @@ Using pressure 1. pH = 3.023 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 586 + Specific Conductance (µS/cm, 75°C) = 546 Density (g/cm³) = 1.01856 Volume (L) = 1.02275 - Viscosity (mPa s) = 0.40080 + Viscosity (mPa s) = 0.41112 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.944e-04 Mass of water (kg) = 1.000e+00 @@ -8208,10 +8208,10 @@ Using pressure 1. pH = 3.006 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 609 + Specific Conductance (µS/cm, 75°C) = 567 Density (g/cm³) = 1.02222 Volume (L) = 1.01909 - Viscosity (mPa s) = 0.40355 + Viscosity (mPa s) = 0.41398 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.034e-03 Mass of water (kg) = 1.000e+00 @@ -8285,10 +8285,10 @@ Using pressure 1. pH = 3.256 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 384 + Specific Conductance (µS/cm, 100°C) = 365 Density (g/cm³) = 0.96405 Volume (L) = 1.08058 - Viscosity (mPa s) = 0.28075 + Viscosity (mPa s) = 0.28594 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.783e-04 Mass of water (kg) = 1.000e+00 @@ -8344,10 +8344,10 @@ Using pressure 1. pH = 3.233 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 406 + Specific Conductance (µS/cm, 100°C) = 385 Density (g/cm³) = 0.96891 Volume (L) = 1.07516 - Viscosity (mPa s) = 0.28351 + Viscosity (mPa s) = 0.28879 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.101e-04 Mass of water (kg) = 1.000e+00 @@ -8404,10 +8404,10 @@ Using pressure 1. pH = 3.211 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 427 + Specific Conductance (µS/cm, 100°C) = 405 Density (g/cm³) = 0.97359 Volume (L) = 1.06999 - Viscosity (mPa s) = 0.28623 + Viscosity (mPa s) = 0.29160 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.421e-04 Mass of water (kg) = 1.000e+00 @@ -8464,10 +8464,10 @@ Using pressure 1. pH = 3.190 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 448 + Specific Conductance (µS/cm, 100°C) = 425 Density (g/cm³) = 0.97813 Volume (L) = 1.06503 - Viscosity (mPa s) = 0.28890 + Viscosity (mPa s) = 0.29436 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.743e-04 Mass of water (kg) = 1.000e+00 @@ -8524,10 +8524,10 @@ Using pressure 1. pH = 3.170 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 469 + Specific Conductance (µS/cm, 100°C) = 446 Density (g/cm³) = 0.98253 Volume (L) = 1.06025 - Viscosity (mPa s) = 0.29156 + Viscosity (mPa s) = 0.29710 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.065e-04 Mass of water (kg) = 1.000e+00 @@ -8584,10 +8584,10 @@ Using pressure 1. pH = 3.151 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 491 + Specific Conductance (µS/cm, 100°C) = 466 Density (g/cm³) = 0.98682 Volume (L) = 1.05565 - Viscosity (mPa s) = 0.29419 + Viscosity (mPa s) = 0.29982 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.389e-04 Mass of water (kg) = 1.000e+00 @@ -8644,10 +8644,10 @@ Using pressure 1. pH = 3.132 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 512 + Specific Conductance (µS/cm, 100°C) = 486 Density (g/cm³) = 0.99100 Volume (L) = 1.05119 - Viscosity (mPa s) = 0.29682 + Viscosity (mPa s) = 0.30253 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.714e-04 Mass of water (kg) = 1.000e+00 @@ -8704,10 +8704,10 @@ Using pressure 1. pH = 3.115 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 533 + Specific Conductance (µS/cm, 100°C) = 506 Density (g/cm³) = 0.99509 Volume (L) = 1.04687 - Viscosity (mPa s) = 0.29943 + Viscosity (mPa s) = 0.30523 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.040e-04 Mass of water (kg) = 1.000e+00 @@ -8764,10 +8764,10 @@ Using pressure 1. pH = 3.098 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 554 + Specific Conductance (µS/cm, 100°C) = 526 Density (g/cm³) = 0.99908 Volume (L) = 1.04269 - Viscosity (mPa s) = 0.30204 + Viscosity (mPa s) = 0.30792 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.368e-04 Mass of water (kg) = 1.000e+00 @@ -8824,10 +8824,10 @@ Using pressure 1. pH = 3.081 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 576 + Specific Conductance (µS/cm, 100°C) = 546 Density (g/cm³) = 1.00297 Volume (L) = 1.03865 - Viscosity (mPa s) = 0.30463 + Viscosity (mPa s) = 0.31059 Activity of water = 0.984 Ionic strength (mol/kgw) = 8.696e-04 Mass of water (kg) = 1.000e+00 @@ -8884,10 +8884,10 @@ Using pressure 1. pH = 3.065 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 597 + Specific Conductance (µS/cm, 100°C) = 566 Density (g/cm³) = 1.00676 Volume (L) = 1.03473 - Viscosity (mPa s) = 0.30721 + Viscosity (mPa s) = 0.31325 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.026e-04 Mass of water (kg) = 1.000e+00 @@ -8961,10 +8961,10 @@ Using pressure 1. pH = 3.336 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 349 + Specific Conductance (µS/cm, 125°C) = 335 Density (g/cm³) = 0.94314 Volume (L) = 1.10454 - Viscosity (mPa s) = 0.22138 + Viscosity (mPa s) = 0.22459 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.812e-04 Mass of water (kg) = 1.000e+00 @@ -9021,10 +9021,10 @@ Using pressure 1. pH = 3.311 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 369 + Specific Conductance (µS/cm, 125°C) = 354 Density (g/cm³) = 0.94843 Volume (L) = 1.09837 - Viscosity (mPa s) = 0.22402 + Viscosity (mPa s) = 0.22734 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.091e-04 Mass of water (kg) = 1.000e+00 @@ -9081,10 +9081,10 @@ Using pressure 1. pH = 3.288 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 389 + Specific Conductance (µS/cm, 125°C) = 373 Density (g/cm³) = 0.95358 Volume (L) = 1.09244 - Viscosity (mPa s) = 0.22665 + Viscosity (mPa s) = 0.23007 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.373e-04 Mass of water (kg) = 1.000e+00 @@ -9141,10 +9141,10 @@ Using pressure 1. pH = 3.266 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 409 + Specific Conductance (µS/cm, 125°C) = 392 Density (g/cm³) = 0.95854 Volume (L) = 1.08679 - Viscosity (mPa s) = 0.22922 + Viscosity (mPa s) = 0.23274 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.653e-04 Mass of water (kg) = 1.000e+00 @@ -9201,10 +9201,10 @@ Using pressure 1. pH = 3.246 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 428 + Specific Conductance (µS/cm, 125°C) = 411 Density (g/cm³) = 0.96333 Volume (L) = 1.08138 - Viscosity (mPa s) = 0.23177 + Viscosity (mPa s) = 0.23538 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.932e-04 Mass of water (kg) = 1.000e+00 @@ -9261,10 +9261,10 @@ Using pressure 1. pH = 3.226 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 448 + Specific Conductance (µS/cm, 125°C) = 429 Density (g/cm³) = 0.96798 Volume (L) = 1.07619 - Viscosity (mPa s) = 0.23428 + Viscosity (mPa s) = 0.23798 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.210e-04 Mass of water (kg) = 1.000e+00 @@ -9321,10 +9321,10 @@ Using pressure 1. pH = 3.207 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 467 + Specific Conductance (µS/cm, 125°C) = 447 Density (g/cm³) = 0.97250 Volume (L) = 1.07119 - Viscosity (mPa s) = 0.23677 + Viscosity (mPa s) = 0.24055 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.487e-04 Mass of water (kg) = 1.000e+00 @@ -9381,10 +9381,10 @@ Using pressure 1. pH = 3.189 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 486 + Specific Conductance (µS/cm, 125°C) = 465 Density (g/cm³) = 0.97689 Volume (L) = 1.06638 - Viscosity (mPa s) = 0.23924 + Viscosity (mPa s) = 0.24310 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.763e-04 Mass of water (kg) = 1.000e+00 @@ -9441,10 +9441,10 @@ Using pressure 1. pH = 3.172 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 505 + Specific Conductance (µS/cm, 125°C) = 483 Density (g/cm³) = 0.98116 Volume (L) = 1.06173 - Viscosity (mPa s) = 0.24169 + Viscosity (mPa s) = 0.24563 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.038e-04 Mass of water (kg) = 1.000e+00 @@ -9501,10 +9501,10 @@ Using pressure 1. pH = 3.156 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 524 + Specific Conductance (µS/cm, 125°C) = 501 Density (g/cm³) = 0.98532 Volume (L) = 1.05725 - Viscosity (mPa s) = 0.24412 + Viscosity (mPa s) = 0.24814 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.312e-04 Mass of water (kg) = 1.000e+00 @@ -9561,10 +9561,10 @@ Using pressure 1. pH = 3.140 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 542 + Specific Conductance (µS/cm, 125°C) = 519 Density (g/cm³) = 0.98936 Volume (L) = 1.05294 - Viscosity (mPa s) = 0.24653 + Viscosity (mPa s) = 0.25062 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.585e-04 Mass of water (kg) = 1.000e+00 @@ -9638,10 +9638,10 @@ Using pressure 1. pH = 3.433 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 294 + Specific Conductance (µS/cm, 151°C) = 287 Density (g/cm³) = 0.91868 Volume (L) = 1.13395 - Viscosity (mPa s) = 0.18160 + Viscosity (mPa s) = 0.18335 Activity of water = 0.984 Ionic strength (mol/kgw) = 3.844e-04 Mass of water (kg) = 1.000e+00 @@ -9698,10 +9698,10 @@ Using pressure 1. pH = 3.407 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 312 + Specific Conductance (µS/cm, 151°C) = 304 Density (g/cm³) = 0.92449 Volume (L) = 1.12682 - Viscosity (mPa s) = 0.18407 + Viscosity (mPa s) = 0.18600 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.084e-04 Mass of water (kg) = 1.000e+00 @@ -9758,10 +9758,10 @@ Using pressure 1. pH = 3.381 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 331 + Specific Conductance (µS/cm, 151°C) = 321 Density (g/cm³) = 0.93028 Volume (L) = 1.11981 - Viscosity (mPa s) = 0.18659 + Viscosity (mPa s) = 0.18868 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.331e-04 Mass of water (kg) = 1.000e+00 @@ -9818,10 +9818,10 @@ Using pressure 1. pH = 3.358 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 349 + Specific Conductance (µS/cm, 151°C) = 338 Density (g/cm³) = 0.93584 Volume (L) = 1.11316 - Viscosity (mPa s) = 0.18906 + Viscosity (mPa s) = 0.19130 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.575e-04 Mass of water (kg) = 1.000e+00 @@ -9878,10 +9878,10 @@ Using pressure 1. pH = 3.336 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 367 + Specific Conductance (µS/cm, 151°C) = 355 Density (g/cm³) = 0.94119 Volume (L) = 1.10683 - Viscosity (mPa s) = 0.19149 + Viscosity (mPa s) = 0.19386 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.815e-04 Mass of water (kg) = 1.000e+00 @@ -9938,10 +9938,10 @@ Using pressure 1. pH = 3.315 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 384 + Specific Conductance (µS/cm, 151°C) = 371 Density (g/cm³) = 0.94635 Volume (L) = 1.10079 - Viscosity (mPa s) = 0.19389 + Viscosity (mPa s) = 0.19637 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.052e-04 Mass of water (kg) = 1.000e+00 @@ -9998,10 +9998,10 @@ Using pressure 1. pH = 3.296 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 401 + Specific Conductance (µS/cm, 151°C) = 387 Density (g/cm³) = 0.95133 Volume (L) = 1.09502 - Viscosity (mPa s) = 0.19625 + Viscosity (mPa s) = 0.19884 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.286e-04 Mass of water (kg) = 1.000e+00 @@ -10058,10 +10058,10 @@ Using pressure 1. pH = 3.277 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 418 + Specific Conductance (µS/cm, 151°C) = 403 Density (g/cm³) = 0.95616 Volume (L) = 1.08950 - Viscosity (mPa s) = 0.19859 + Viscosity (mPa s) = 0.20128 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.517e-04 Mass of water (kg) = 1.000e+00 @@ -10118,10 +10118,10 @@ Using pressure 1. pH = 3.260 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 434 + Specific Conductance (µS/cm, 151°C) = 418 Density (g/cm³) = 0.96084 Volume (L) = 1.08419 - Viscosity (mPa s) = 0.20090 + Viscosity (mPa s) = 0.20368 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.745e-04 Mass of water (kg) = 1.000e+00 @@ -10178,10 +10178,10 @@ Using pressure 1. pH = 3.243 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 450 + Specific Conductance (µS/cm, 151°C) = 434 Density (g/cm³) = 0.96537 Volume (L) = 1.07910 - Viscosity (mPa s) = 0.20318 + Viscosity (mPa s) = 0.20605 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.971e-04 Mass of water (kg) = 1.000e+00 @@ -10238,10 +10238,10 @@ Using pressure 1. pH = 3.228 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 151°C) = 466 + Specific Conductance (µS/cm, 151°C) = 449 Density (g/cm³) = 0.96978 Volume (L) = 1.07420 - Viscosity (mPa s) = 0.20545 + Viscosity (mPa s) = 0.20840 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.193e-04 Mass of water (kg) = 1.000e+00 @@ -10315,10 +10315,10 @@ Using pressure 1. pH = 3.542 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 234 + Specific Conductance (µS/cm, 176°C) = 239 Density (g/cm³) = 0.89084 Volume (L) = 1.16938 - Viscosity (mPa s) = 0.15401 + Viscosity (mPa s) = 0.15293 Activity of water = 0.984 Ionic strength (mol/kgw) = 2.985e-04 Mass of water (kg) = 1.000e+00 @@ -10375,10 +10375,10 @@ Using pressure 1. pH = 3.513 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 250 + Specific Conductance (µS/cm, 176°C) = 252 Density (g/cm³) = 0.89728 Volume (L) = 1.16099 - Viscosity (mPa s) = 0.15631 + Viscosity (mPa s) = 0.15603 Activity of water = 0.984 Ionic strength (mol/kgw) = 3.191e-04 Mass of water (kg) = 1.000e+00 @@ -10435,10 +10435,10 @@ Using pressure 1. pH = 3.485 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 267 + Specific Conductance (µS/cm, 176°C) = 266 Density (g/cm³) = 0.90396 Volume (L) = 1.15241 - Viscosity (mPa s) = 0.15876 + Viscosity (mPa s) = 0.15906 Activity of water = 0.984 Ionic strength (mol/kgw) = 3.409e-04 Mass of water (kg) = 1.000e+00 @@ -10495,10 +10495,10 @@ Using pressure 1. pH = 3.459 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 284 + Specific Conductance (µS/cm, 176°C) = 280 Density (g/cm³) = 0.91034 Volume (L) = 1.14434 - Viscosity (mPa s) = 0.16115 + Viscosity (mPa s) = 0.16187 Activity of water = 0.984 Ionic strength (mol/kgw) = 3.622e-04 Mass of water (kg) = 1.000e+00 @@ -10555,10 +10555,10 @@ Using pressure 1. pH = 3.435 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 300 + Specific Conductance (µS/cm, 176°C) = 295 Density (g/cm³) = 0.91644 Volume (L) = 1.13672 - Viscosity (mPa s) = 0.16350 + Viscosity (mPa s) = 0.16454 Activity of water = 0.984 Ionic strength (mol/kgw) = 3.830e-04 Mass of water (kg) = 1.000e+00 @@ -10615,10 +10615,10 @@ Using pressure 1. pH = 3.413 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 315 + Specific Conductance (µS/cm, 176°C) = 309 Density (g/cm³) = 0.92228 Volume (L) = 1.12951 - Viscosity (mPa s) = 0.16581 + Viscosity (mPa s) = 0.16710 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.032e-04 Mass of water (kg) = 1.000e+00 @@ -10675,10 +10675,10 @@ Using pressure 1. pH = 3.392 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 330 + Specific Conductance (µS/cm, 176°C) = 322 Density (g/cm³) = 0.92789 Volume (L) = 1.12268 - Viscosity (mPa s) = 0.16807 + Viscosity (mPa s) = 0.16957 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.230e-04 Mass of water (kg) = 1.000e+00 @@ -10735,10 +10735,10 @@ Using pressure 1. pH = 3.373 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 344 + Specific Conductance (µS/cm, 176°C) = 335 Density (g/cm³) = 0.93329 Volume (L) = 1.11619 - Viscosity (mPa s) = 0.17030 + Viscosity (mPa s) = 0.17197 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.423e-04 Mass of water (kg) = 1.000e+00 @@ -10795,10 +10795,10 @@ Using pressure 1. pH = 3.355 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 358 + Specific Conductance (µS/cm, 176°C) = 348 Density (g/cm³) = 0.93850 Volume (L) = 1.11000 - Viscosity (mPa s) = 0.17250 + Viscosity (mPa s) = 0.17432 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.611e-04 Mass of water (kg) = 1.000e+00 @@ -10855,10 +10855,10 @@ Using pressure 1. pH = 3.338 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 372 + Specific Conductance (µS/cm, 176°C) = 361 Density (g/cm³) = 0.94353 Volume (L) = 1.10408 - Viscosity (mPa s) = 0.17468 + Viscosity (mPa s) = 0.17663 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.796e-04 Mass of water (kg) = 1.000e+00 @@ -10915,10 +10915,10 @@ Using pressure 1. pH = 3.322 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 176°C) = 385 + Specific Conductance (µS/cm, 176°C) = 373 Density (g/cm³) = 0.94841 Volume (L) = 1.09839 - Viscosity (mPa s) = 0.17683 + Viscosity (mPa s) = 0.17891 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.976e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/McBride_rho_101.sel b/mytest/McBride_rho_101.sel index 362420015..aaf8be453 100644 --- a/mytest/McBride_rho_101.sel +++ b/mytest/McBride_rho_101.sel @@ -1,268 +1,268 @@ Mu SC - 0.000379071137 92.6509309119 - 0.000379071137 92.6509309119 - 0.000404980088 101.0775479877 - 0.000432120111 109.9910644496 - 0.000460538464 119.3957192802 - 0.000490284705 129.2966561057 - 0.000521410572 139.7000161445 - 0.000553969814 150.6130369904 - 0.000588018023 162.0440917587 - 0.000623612207 174.0025733452 - 0.000660810654 186.4987471384 - 0.000699672394 199.5433709745 - 0.000469260891 171.3833894607 - 0.000497123127 183.5036935879 - 0.000525871949 196.0862831073 - 0.000555525219 209.1221250199 - 0.000586102338 222.6041001466 - 0.000617623953 236.5269112702 - 0.000650111630 250.8870264599 - 0.000683587468 265.6825349554 - 0.000718073633 280.9128722926 - 0.000753591836 296.5783915579 - 0.000790162715 312.6797629701 - 0.000507210707 254.0210863881 - 0.000534936957 269.1672313291 - 0.000563213426 284.6426082256 - 0.000592043095 300.4379658886 - 0.000621429921 316.5449135651 - 0.000651378708 332.9558611302 - 0.000681894953 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506.7017961056 + 0.000905438688 529.4373626244 + 0.000945311209 552.1585572595 + 0.000985332238 574.8592855075 + 0.001025504144 597.5355642686 + 0.001065831803 620.1860601338 + 0.001106322976 642.8127278596 + 0.000587200541 382.2815209269 + 0.000621275491 403.6378806562 + 0.000655662586 425.1007044349 + 0.000689916382 446.3839504894 + 0.000724032337 467.4789849731 + 0.000758009364 488.3799195765 + 0.000791849302 509.0834208160 + 0.000825556572 529.5886903303 + 0.000859137998 549.8975919195 + 0.000892602755 570.0149045721 + 0.000925962444 589.9486826467 + 0.000468194103 328.0883349589 + 0.000497550319 347.1163608556 + 0.000527646393 366.5944485081 + 0.000557344820 385.7622993948 + 0.000586646926 404.6045884646 + 0.000615559534 423.1140105502 + 0.000644093544 441.2890427413 + 0.000672262832 459.1324086627 + 0.000700083419 476.6500170276 + 0.000727572856 493.8502341520 + 0.000754749781 510.7433989936 + 0.000363610029 280.0956886749 + 0.000388730514 292.7373577895 + 0.000415348565 307.7509506202 + 0.000441309149 323.2312864438 + 0.000466625412 338.7670969286 + 0.000491318568 354.1558138325 + 0.000515415040 369.2922129720 + 0.000538944291 384.1212101926 + 0.000561937195 398.6152125230 + 0.000584424814 412.7621698321 + 0.000606437480 426.5587826795 diff --git a/mytest/McClesk_101.sel b/mytest/McClesk_101.sel index e96b3810b..95976044b 100644 --- a/mytest/McClesk_101.sel +++ b/mytest/McClesk_101.sel @@ -1,24 +1,24 @@ Mu SC - 0.100580125493 12967.4360242397 - 0.125810127369 16023.2667020418 - 0.151070128945 19039.5865476901 - 0.176380130304 22024.9360776248 - 0.201720131498 24981.3982353998 - 0.252510133522 30822.7241006944 - 0.303450135200 36583.8768401913 - 0.405770137887 47910.8865721834 - 0.508690139997 59026.1481319733 - 0.612200141748 69963.1924317881 - 0.716400143252 80753.3203833520 - 0.821140144572 91394.3400766697 - 0.926590145754 101912.2259457003 - 1.032700146823 112307.3925233719 - 1.247000148700 132751.6491628540 - 1.463900150299 152726.9299213264 - 1.683800151675 172269.2082054546 - 1.906800152860 191376.9008700929 - 2.132700153876 210018.6888790191 - 2.711700155767 254593.2187081261 - 3.312600156868 296110.3816492908 - 3.937100157310 334320.4531260579 - 4.587700157200 369003.7249297609 + 0.100580125493 12967.4360084523 + 0.125810127369 16023.2666792884 + 0.151070128945 19039.5865171347 + 0.176380130304 22024.9360385034 + 0.201720131498 24981.3981870155 + 0.252510133522 30822.7240318761 + 0.303450135200 36583.8767486378 + 0.405770137887 47910.8864291418 + 0.508690139997 59026.1479304608 + 0.612200141748 69963.1921658224 + 0.716400143252 80753.3200476347 + 0.821140144572 91394.3396666248 + 0.926590145754 101912.2254571589 + 1.032700146823 112307.3919526568 + 1.247000148700 132751.6484182587 + 1.463900150299 152726.9289925549 + 1.683800151675 172269.2070842178 + 1.906800152860 191376.8995500387 + 2.132700153876 210018.6873557821 + 2.711700155767 254593.2166668854 + 3.312600156868 296110.3790919014 + 3.937100157310 334320.4500722825 + 4.587700157200 369003.7214140167 diff --git a/mytest/MgCl-SO4.out b/mytest/MgCl-SO4.out index f92cf4cbb..61cc0b641 100644 --- a/mytest/MgCl-SO4.out +++ b/mytest/MgCl-SO4.out @@ -80,7 +80,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 238177 Density (g/cm³) = 1.20997 Volume (L) = 1.02551 - Viscosity (mPa s) = 2.05996 + Viscosity (mPa s) = 2.05995 Activity of water = 0.953 Ionic strength (mol/kgw) = 8.003e+00 Mass of water (kg) = 1.000e+00 @@ -1735,10 +1735,10 @@ Kieserite 0.00 -2.05 -2.05 0.000e+00 2.757e+00 2.757e+00 pH = 4.929 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1242059 + Specific Conductance (µS/cm, 100°C) = 1242071 Density (g/cm³) = 1.35571 Volume (L) = 2.45191 - Viscosity (mPa s) = 1.90231 + Viscosity (mPa s) = 1.90197 Activity of water = 0.875 Ionic strength (mol/kgw) = 1.672e+01 Mass of water (kg) = 2.211e+00 diff --git a/mytest/MgCl-SO4_101.sel b/mytest/MgCl-SO4_101.sel index bdf14e512..221b191bd 100644 --- a/mytest/MgCl-SO4_101.sel +++ b/mytest/MgCl-SO4_101.sel @@ -1,39 +1,39 @@ Mu SC - 8.002994981348 238177.8684612234 - 8.722310664647 130799.7862638063 - 8.098704452429 123797.7577421155 - 7.555220322159 117444.1320462938 - 7.208569847601 112673.9922718788 - 7.137384345719 109727.7255604703 - 7.334543338696 107827.5265429371 - 7.746278978069 105911.6684709469 - 8.317988601650 103257.2812510942 - 9.007278234034 99582.7530635305 - 9.782701900708 94935.4143308310 - 10.620938824274 89551.3179611960 - 11.504785478999 83738.0235825632 - 12.421725145883 77794.1387114552 + 8.002994981348 238177.9574587312 + 8.722310664647 130799.7959281165 + 8.098704452429 123797.7577130579 + 7.555220322159 117444.1319964163 + 7.208569847601 112673.9922189192 + 7.137384345719 109727.7255116509 + 7.334543338696 107827.5265022261 + 7.746278978069 105911.6684397847 + 8.317988601650 103257.2812289492 + 9.007278234034 99582.7530487468 + 9.782701900708 94935.4143214449 + 10.620938824274 89551.3179554605 + 11.504785478999 83738.0235791525 + 12.421725145883 77794.1387094623 13.362801326894 71966.7235492819 14.321713923843 66438.8082837833 14.438900818266 65795.8192493133 - 16.719248651815 1242059.3919485381 - 16.050698414857 1180536.7632862169 - 15.351874270539 1113515.5719724623 - 14.659901833788 1040100.3790668595 - 14.038814230097 962085.6912896673 - 13.573776819204 882049.1889673184 - 13.343024155532 802486.1750907820 - 13.385538643275 725015.0996176023 - 13.695466078804 650587.1177445620 - 14.239974396837 580133.6240939288 - 14.977220046871 514717.7577427763 - 15.866031350331 455246.3334141233 - 16.870155542142 402202.5443166517 - 17.959875817746 355595.7424857568 - 19.112115230405 315069.5104945260 - 20.309653974710 280055.1527979310 - 21.539988860025 249902.0676627110 - 22.794197838428 223964.5888376553 - 23.430069508595 212356.0325330822 - 23.430069430075 212356.0344569418 - 23.430070370330 212356.0174282361 + 16.719248651815 1242071.2715904820 + 16.050698414857 1180536.7709474401 + 15.351874270539 1113515.5723445187 + 14.659901833788 1040100.3771961253 + 14.038814230097 962085.6886178025 + 13.573776819204 882049.1862232349 + 13.343024155532 802486.1727032906 + 13.385538643275 725015.0977800378 + 13.695466078804 650587.1164603322 + 14.239974396837 580133.6232587587 + 14.977220046871 514717.7572250719 + 15.866031350331 455246.3331015714 + 16.870155542142 402202.5441297665 + 17.959875817746 355595.7423738477 + 19.112115230405 315069.5104269916 + 20.309653974710 280055.1527567320 + 21.539988860025 249902.0676372725 + 22.794197838428 223964.5888217516 + 23.430069508595 212356.0325204573 + 23.430069430075 212356.0344443170 + 23.430070370330 212356.0174156112 diff --git a/mytest/MgCl2_101.sel b/mytest/MgCl2_101.sel index 3793891d4..27e5e7144 100644 --- a/mytest/MgCl2_101.sel +++ b/mytest/MgCl2_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.000000100645 0.0546913894 + 0.000000100645 0.0546913895 16.678338978857 47086.8108010861 16.990269954909 61273.5773366569 17.159783598987 68629.0319807400 @@ -8,18 +8,18 @@ 17.731072004709 91407.5916708181 17.945351072266 99152.4275075587 18.173373244517 106926.8105568327 - 18.676406817521 122424.3133495096 - 19.254726956887 137550.7788999174 - 19.930048265686 151803.3625587338 - 20.737269255627 164438.9207778989 - 21.739429989535 174289.4636881579 - 23.076979169216 179191.5088910123 - 26.922881215056 165118.4968526583 - 27.789531337969 155639.9369722618 - 29.209725367234 165574.6629205034 - 32.016608213991 168150.8797443256 - 37.805777678180 138910.8620418467 - 40.525036780317 125525.4970671582 - 39.907494635891 129849.7471911276 - 40.528408734322 128405.8683194107 - 41.986386519778 120164.7471894794 + 18.676406817521 122424.3133464482 + 19.254726956887 137550.7788951868 + 19.930048265686 151803.3625518533 + 20.737269255627 164438.9207685207 + 21.739429989535 174289.4636763285 + 23.076979169216 179191.5088776641 + 26.922881215056 165118.4968424989 + 27.789531337969 155639.9369643829 + 29.209725367234 165574.6629079961 + 32.016608213991 168150.8797238890 + 37.805777678180 138910.8620206266 + 40.525036780317 125525.4970428744 + 39.907494635891 129849.7471648185 + 40.528408734322 128405.8682854196 + 41.986386519778 120164.7471394558 diff --git a/mytest/MgSO4.out b/mytest/MgSO4.out index 2f3360fa4..851b06bd6 100644 --- a/mytest/MgSO4.out +++ b/mytest/MgSO4.out @@ -1510,7 +1510,7 @@ Kieserite -0.00 -3.73 -3.73 1.000e+01 8.173e+00 -1.827e+00 pH = 5.429 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 522786 + Specific Conductance (µS/cm, 160°C) = 522785 Density (g/cm³) = 1.09928 Volume (L) = 1.13968 Viscosity (mPa s) = 0.43516 @@ -1809,7 +1809,7 @@ Kieserite 0.00 -5.16 -5.16 1.000e+01 9.935e+00 -6.513e-02 Specific Conductance (µS/cm, 200°C) = 41584 Density (g/cm³) = 0.87390 Volume (L) = 1.15461 - Viscosity (mPa s) = 0.15466 + Viscosity (mPa s) = 0.15467 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.600e-01 Mass of water (kg) = 1.001e+00 diff --git a/mytest/MgSO4_101.sel b/mytest/MgSO4_101.sel index 38892ab49..1d3cf7200 100644 --- a/mytest/MgSO4_101.sel +++ b/mytest/MgSO4_101.sel @@ -1,25 +1,25 @@ Mu SC - 0.000000100645 0.0546913894 - 11.394113940138 27771.4705752995 - 13.333553371570 35401.7221022048 - 14.165816050907 36870.3857419578 - 15.110897415404 37645.5737943128 - 16.188241152887 37654.6031643109 - 17.426576880893 36835.0859345157 - 17.690314518547 40806.7012540844 - 16.468283369540 36281.1741935394 - 18.149817319085 38494.2844865427 - 19.167875068960 38711.3189757519 - 20.334721090938 38247.9829631000 - 21.687592222882 37031.6015606861 - 23.286410521678 34970.6416635471 - 17.850324132502 65396.6836137944 - 17.921813379574 80824.6353998581 - 17.433942492598 126901.7207403552 - 15.940959746695 207555.3520635601 - 12.878384968515 356430.6394360096 - 7.074507728653 522786.3446614232 - 3.166523190426 368688.7123479066 - 1.250961462505 177296.7484018985 - 0.551725583637 85299.6314606592 - 0.259985995389 41584.4645460252 + 0.000000100645 0.0546913895 + 11.394113940138 27771.4705159042 + 13.333553371570 35401.7219923976 + 14.165816050907 36870.3856180305 + 15.110897415404 37645.5736602223 + 16.188241152887 37654.6030254088 + 17.426576880893 36835.0857971983 + 17.690314518547 40806.7010594570 + 16.468283369540 36281.1740687093 + 18.149817319085 38494.2843208033 + 19.167875068960 38711.3187939429 + 20.334721090938 38247.9827704436 + 21.687592222882 37031.6013642001 + 23.286410521678 34970.6414721134 + 17.850324132502 65396.6827080559 + 17.921813379574 80824.6336114406 + 17.433942492598 126901.7136874344 + 15.940959746695 207555.3233095118 + 12.878384968515 356430.5097200568 + 7.074507728653 522785.7983792619 + 3.166523190426 368688.1485055485 + 1.250961462505 177296.4315121046 + 0.551725583637 85299.4251535905 + 0.259985995389 41584.0783235206 diff --git a/mytest/MoreExchMix.dmp b/mytest/MoreExchMix.dmp index c514f8d6b..c64827d01 100644 --- a/mytest/MoreExchMix.dmp +++ b/mytest/MoreExchMix.dmp @@ -6,7 +6,7 @@ SOLUTION_RAW 5 -total_o 0.55508658925478 -cb -1.4803872180102e-15 -density 0.99714472270534 - -viscosity 0.89143722658616 + -viscosity 0.89144404391777 -totals C(-4) 2.729842079817e-13 C(4) 8.1407635881835e-06 @@ -148,8 +148,8 @@ SURFACE_RAW 5 125 55.50621669627 134 0.00065486894895854 135 2.1746716303859e-12 - 234 0 - 235 1.3500883747594e-06 + 233 0 + 234 1.3500883747594e-06 # Surface workspace variables # -sigma0 0 -sigma1 0 diff --git a/mytest/MoreExchMix.out b/mytest/MoreExchMix.out index b535c0905..eb6a3d918 100644 --- a/mytest/MoreExchMix.out +++ b/mytest/MoreExchMix.out @@ -691,7 +691,7 @@ Reading input data for simulation 5. -total_o 0.55508658925478 -cb -1.4803872180102e-15 -density 0.99714472270534 - -viscosity 0.89143722658616 + -viscosity 0.89144404391777 -totals C(-4) 2.729842079817e-13 C(4) 8.1407635881835e-06 @@ -822,8 +822,8 @@ Reading input data for simulation 5. 125 55.50621669627 134 0.00065486894895854 135 2.1746716303859e-12 - 234 0 - 235 1.3500883747594e-06 + 233 0 + 234 1.3500883747594e-06 -sigma0 0 -sigma1 0 -sigma2 0 diff --git a/mytest/MoreExchMix_101.sel b/mytest/MoreExchMix_101.sel index 979c0dd4e..4cdda5a40 100644 --- a/mytest/MoreExchMix_101.sel +++ b/mytest/MoreExchMix_101.sel @@ -1,8 +1,8 @@ Mu SC 0.001099506090 320.9737662728 - 0.002686241891 204.1531114915 - 0.002686241891 204.1531114903 - 0.002686241891 204.1531114903 - 0.002686241895 204.1531116121 - 0.002686241895 204.1531116110 - 0.002686241896 204.1531117003 + 0.002686241891 204.1519830191 + 0.002686241891 204.1519830179 + 0.002686241891 204.1519830179 + 0.002686241895 204.1519831397 + 0.002686241895 204.1519831386 + 0.002686241896 204.1519832279 diff --git a/mytest/N2_conc_PR_IS_101.sel b/mytest/N2_conc_PR_IS_101.sel index 19cbed0d3..e3303d876 100644 --- a/mytest/N2_conc_PR_IS_101.sel +++ b/mytest/N2_conc_PR_IS_101.sel @@ -1,43 +1,43 @@ Mu SC - 0.000000100631 0.0546328398 - 0.000000100647 0.0547825078 - 0.000000101550 0.0553489849 + 0.000000100631 0.0546328399 + 0.000000100647 0.0547825079 + 0.000000101550 0.0553489850 0.000000102455 0.0559190147 - 0.000000103360 0.0564922840 - 0.000000104266 0.0570685251 + 0.000000103360 0.0564922841 + 0.000000104266 0.0570685252 0.000000105174 0.0576474753 0.000000106082 0.0582290306 - 0.000000106992 0.0588128491 + 0.000000106992 0.0588128492 0.000000107902 0.0593987987 - 0.000000108814 0.0599867774 - 0.000000109726 0.0605765750 + 0.000000108814 0.0599867775 + 0.000000109726 0.0605765751 0.000000110640 0.0611680674 - 0.000000111554 0.0617611909 - 0.000000112469 0.0623558103 - 0.000000113385 0.0629517499 + 0.000000111554 0.0617611910 + 0.000000112469 0.0623558104 + 0.000000113385 0.0629517500 0.000000114302 0.0635491345 - 0.000000115220 0.0641477262 - 0.000000116138 0.0647473265 - 0.000000117058 0.0653481963 - 0.000000117978 0.0659500348 - 0.000000118899 0.0665526374 - 0.000000119821 0.0671563990 - 0.000000120744 0.0677610792 - 0.000000121668 0.0683663552 - 0.000000122593 0.0689726116 - 0.000000123518 0.0695794694 - 0.000000124445 0.0701870411 - 0.000000125372 0.0707951463 - 0.000000126301 0.0714042072 - 0.000000127230 0.0720133634 - 0.000000128160 0.0726237121 - 0.000000129090 0.0732339522 - 0.000000130022 0.0738452511 - 0.000000130955 0.0744565544 - 0.000000131889 0.0750687264 - 0.000000132823 0.0756810180 - 0.000000133758 0.0762939221 - 0.000000134695 0.0769070582 - 0.000000135632 0.0775209706 - 0.000000136570 0.0781347426 - 0.000000137509 0.0787489127 + 0.000000115220 0.0641477263 + 0.000000116138 0.0647473266 + 0.000000117058 0.0653481964 + 0.000000117978 0.0659500349 + 0.000000118899 0.0665526375 + 0.000000119821 0.0671563991 + 0.000000120744 0.0677610793 + 0.000000121668 0.0683663554 + 0.000000122593 0.0689726117 + 0.000000123518 0.0695794695 + 0.000000124445 0.0701870413 + 0.000000125372 0.0707951465 + 0.000000126301 0.0714042073 + 0.000000127230 0.0720133635 + 0.000000128160 0.0726237122 + 0.000000129090 0.0732339524 + 0.000000130022 0.0738452513 + 0.000000130955 0.0744565546 + 0.000000131889 0.0750687265 + 0.000000132823 0.0756810181 + 0.000000133758 0.0762939223 + 0.000000134695 0.0769070584 + 0.000000135632 0.0775209708 + 0.000000136570 0.0781347428 + 0.000000137509 0.0787489129 diff --git a/mytest/N2_ideal_101.sel b/mytest/N2_ideal_101.sel index 40e2ea129..85261cc74 100644 --- a/mytest/N2_ideal_101.sel +++ b/mytest/N2_ideal_101.sel @@ -1,42 +1,42 @@ Mu SC - 0.000011900817 12.0128832896 - 0.000011904980 12.0012133883 - 0.000011909423 11.9733866413 - 0.000011914080 11.9549664665 - 0.000011918957 11.9376456973 - 0.000011924064 11.9213831169 - 0.000011929412 11.9061405613 - 0.000011935012 11.8918824931 - 0.000011940878 11.8785761575 - 0.000011947022 11.8661914718 - 0.000011953457 11.8547008529 - 0.000011960197 11.8440795730 - 0.000011967256 11.8343054054 - 0.000011974650 11.8253587170 - 0.000011982395 11.8172225597 - 0.000011990507 11.8098826986 - 0.000011999004 11.8033272995 - 0.000012007904 11.7975471963 - 0.000012017226 11.7925358452 - 0.000012026991 11.7882893223 - 0.000012037218 11.7848063506 - 0.000011904980 12.0012115217 - 0.000011909424 11.9733775867 - 0.000011914083 11.9549472494 - 0.000011918962 11.9376133949 - 0.000011924072 11.9213355181 - 0.000011929424 11.9060758737 - 0.000011935029 11.8917995100 - 0.000011940901 11.8784740094 - 0.000011947052 11.8660697754 - 0.000011953496 11.8545596083 - 0.000011960245 11.8439191403 - 0.000011967316 11.8341263975 - 0.000011974724 11.8251622552 - 0.000011982483 11.8170100138 - 0.000011990613 11.8096555641 - 0.000011999129 11.8030874595 - 0.000012008051 11.7972966939 - 0.000012017397 11.7922771125 - 0.000012027188 11.7880250114 - 0.000012037445 11.7845393944 + 0.000011900817 12.0128833726 + 0.000011904980 12.0012134687 + 0.000011909423 11.9733867192 + 0.000011914080 11.9549665423 + 0.000011918957 11.9376457712 + 0.000011924064 11.9213831892 + 0.000011929412 11.9061406322 + 0.000011935012 11.8918825627 + 0.000011940878 11.8785762260 + 0.000011947022 11.8661915394 + 0.000011953457 11.8547009197 + 0.000011960197 11.8440796392 + 0.000011967256 11.8343054711 + 0.000011974650 11.8253587823 + 0.000011982395 11.8172226248 + 0.000011990507 11.8098827635 + 0.000011999004 11.8033273644 + 0.000012007904 11.7975472613 + 0.000012017226 11.7925359105 + 0.000012026991 11.7882893878 + 0.000012037218 11.7848064166 + 0.000011904980 12.0012116021 + 0.000011909424 11.9733776646 + 0.000011914083 11.9549473252 + 0.000011918962 11.9376134688 + 0.000011924072 11.9213355904 + 0.000011929424 11.9060759445 + 0.000011935029 11.8917995796 + 0.000011940901 11.8784740779 + 0.000011947052 11.8660698430 + 0.000011953496 11.8545596751 + 0.000011960245 11.8439192065 + 0.000011967316 11.8341264631 + 0.000011974724 11.8251623205 + 0.000011982483 11.8170100789 + 0.000011990613 11.8096556290 + 0.000011999129 11.8030875244 + 0.000012008051 11.7972967589 + 0.000012017397 11.7922771778 + 0.000012027188 11.7880250769 + 0.000012037445 11.7845394604 diff --git a/mytest/NH4_2_SO4_101.sel b/mytest/NH4_2_SO4_101.sel index cd03fac08..afa8c51e9 100644 --- a/mytest/NH4_2_SO4_101.sel +++ b/mytest/NH4_2_SO4_101.sel @@ -1,20 +1,20 @@ Mu SC - 0.097971671830 8076.9404308667 - 0.184504431861 15175.2652928172 - 0.345808117162 28607.6640800780 - 0.498257279987 41485.2479176715 - 0.643659196858 53854.8851030416 - 0.787511032992 66118.9520922305 - 0.927272834248 78018.9897459097 - 1.067175184803 89886.9342232211 - 1.204339522557 101458.1525308912 - 1.340902702454 112898.8079987381 - 1.477200753446 124225.2895337336 - 1.750099086680 146589.9447436855 - 2.023354654496 168520.0663660753 - 2.300099333160 190217.3859232453 - 2.580134694396 211615.6824417576 - 2.864716964632 232756.9879708852 - 3.156599253950 253773.1778108295 - 3.455436189750 274547.4130022012 - 3.764045232277 295158.0428815006 + 0.097971671830 8076.9404308325 + 0.184504431861 15175.2652927751 + 0.345808117162 28607.6640800751 + 0.498257279987 41485.2479177626 + 0.643659196858 53854.8851032659 + 0.787511032992 66118.9520926212 + 0.927272834248 78018.9897464884 + 1.067175184803 89886.9342240082 + 1.204339522557 101458.1525318968 + 1.340902702454 112898.8079999698 + 1.477200753446 124225.2895351950 + 1.750099086680 146589.9447456014 + 2.023354654496 168520.0663684143 + 2.300099333160 190217.3859259549 + 2.580134694396 211615.6824447636 + 2.864716964632 232756.9879740970 + 3.156599253950 253773.1778141430 + 3.455436189750 274547.4130054996 + 3.764045232277 295158.0428846562 diff --git a/mytest/Na2SO4.out b/mytest/Na2SO4.out index c48568cdb..b62a81731 100644 --- a/mytest/Na2SO4.out +++ b/mytest/Na2SO4.out @@ -1673,7 +1673,7 @@ Thenardite -0.00 -0.56 -0.56 2.000e+00 3.568e+00 1.568e+00 Specific Conductance (µS/cm, 74°C) = 301803 Density (g/cm³) = 1.27127 Volume (L) = 3.55497 - Viscosity (mPa s) = 1.26241 + Viscosity (mPa s) = 1.26242 Activity of water = 0.898 Ionic strength (mol/kgw) = 9.067e+00 Mass of water (kg) = 3.162e+00 @@ -1738,7 +1738,7 @@ Thenardite 0.00 -0.68 -0.68 2.000e+00 3.746e+00 1.746e+00 pH = 6.972 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 94°C) = 407203 + Specific Conductance (µS/cm, 94°C) = 407202 Density (g/cm³) = 1.25360 Volume (L) = 3.58490 Viscosity (mPa s) = 0.91078 @@ -1875,7 +1875,7 @@ Thenardite -0.00 -1.01 -1.01 2.000e+00 3.569e+00 1.569e+00 pH = 6.895 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 135°C) = 660637 + Specific Conductance (µS/cm, 135°C) = 660636 Density (g/cm³) = 1.22002 Volume (L) = 3.70425 Viscosity (mPa s) = 0.58049 @@ -1944,7 +1944,7 @@ Thenardite 0.00 -1.22 -1.22 2.000e+00 3.429e+00 1.429e+00 pH = 6.892 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 155°C) = 795980 + Specific Conductance (µS/cm, 155°C) = 795976 Density (g/cm³) = 1.19591 Volume (L) = 3.79554 Viscosity (mPa s) = 0.48651 @@ -2013,10 +2013,10 @@ Thenardite 0.00 -1.46 -1.46 2.000e+00 3.375e+00 1.375e+00 pH = 6.908 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 922082 + Specific Conductance (µS/cm, 175°C) = 922075 Density (g/cm³) = 1.16238 Volume (L) = 3.91162 - Viscosity (mPa s) = 0.41165 + Viscosity (mPa s) = 0.41166 Activity of water = 0.922 Ionic strength (mol/kgw) = 9.250e+00 Mass of water (kg) = 3.162e+00 @@ -2082,7 +2082,7 @@ Thenardite 0.00 -1.73 -1.73 2.000e+00 3.496e+00 1.496e+00 pH = 6.944 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 195°C) = 1031348 + Specific Conductance (µS/cm, 195°C) = 1031336 Density (g/cm³) = 1.11742 Volume (L) = 4.05361 Viscosity (mPa s) = 0.34660 @@ -2151,7 +2151,7 @@ Thenardite -0.00 -2.05 -2.05 2.000e+00 3.821e+00 1.821e+00 pH = 6.996 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 215°C) = 1113476 + Specific Conductance (µS/cm, 215°C) = 1113458 Density (g/cm³) = 1.06169 Volume (L) = 4.22297 Viscosity (mPa s) = 0.29014 (solute contributions limited to 200 °C) diff --git a/mytest/Na2SO4_101.sel b/mytest/Na2SO4_101.sel index 5cf83b27c..648648cae 100644 --- a/mytest/Na2SO4_101.sel +++ b/mytest/Na2SO4_101.sel @@ -1,32 +1,32 @@ Mu SC - 0.000000100645 0.0546913894 - 0.898891989688 19640.6480057044 - 1.033923224615 23335.8746497363 - 1.188930444396 27623.3859561764 - 1.366811929957 32569.5792822436 - 1.570785303210 38234.3712022960 - 1.804350053126 44662.6841142689 - 2.071215364813 51873.0826836387 - 2.375197865112 59844.1259445390 - 2.720112285210 68500.0140183921 - 3.109702531523 77698.0690325613 - 3.547683841374 87220.8369835695 - 4.037978902971 96774.5114463345 - 4.585233321494 105992.9622174144 - 5.195693522101 114443.5826384494 - 5.878631942745 121628.9581109365 - 6.648689750151 126975.7364310285 - 7.530198174932 129797.8804160931 - 8.566476102369 129204.9934396175 - 9.844566031097 123860.8246089350 - 10.554747289452 122432.6161964512 - 10.554747289473 122432.6161962833 - 9.575390812253 207769.7387620550 - 9.066925667677 301803.5619253000 - 8.897832648329 407203.2971866776 - 8.937896687791 527763.8256385736 - 9.066418566993 660637.9769355857 - 9.199088926116 795980.5763225964 - 9.250228304993 922082.6729924902 - 9.135261541036 1031348.8369984269 - 8.827269533812 1113476.6639991819 + 0.000000100645 0.0546913895 + 0.898891989688 19640.6478088949 + 1.033923224615 23335.8743795652 + 1.188930444396 27623.3855876148 + 1.366811929957 32569.5787832305 + 1.570785303210 38234.3705327220 + 1.804350053126 44662.6832254418 + 2.071215364813 51873.0815186850 + 2.375197865112 59844.1244402819 + 2.720112285210 68500.0121092152 + 3.109702531523 77698.0666565342 + 3.547683841374 87220.8340906753 + 4.037978902971 96774.5080081151 + 4.585233321494 105992.9582369605 + 5.195693522101 114443.5781595914 + 5.878631942745 121628.9532257946 + 6.648689750151 126975.7312855957 + 7.530198174932 129797.8752141462 + 8.566476102369 129204.9884461385 + 9.844566031097 123860.8201568031 + 10.554747289452 122432.6117468987 + 10.554747289473 122432.6117467308 + 9.575390812253 207769.7121480611 + 9.066925667677 301803.4586637587 + 8.897832648329 407202.9822247704 + 8.937896687791 527763.0006162882 + 9.066418566993 660636.0579753326 + 9.199088926116 795976.5786462956 + 9.250228304993 922075.1940580995 + 9.135261541036 1031336.2666059048 + 8.827269533812 1113458.2227148982 diff --git a/mytest/Na2SO4_phr.out b/mytest/Na2SO4_phr.out index f3fcf901e..95107883e 100644 --- a/mytest/Na2SO4_phr.out +++ b/mytest/Na2SO4_phr.out @@ -149,10 +149,10 @@ Thenardite -2.08 -2.42 -0.34 0.000e+00 0 0.000e+00 pH = 7.586 Charge balance pe = 5.788 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 10519 + Specific Conductance (µS/cm, 0°C) = 10499 Density (g/cm³) = 1.04414 Volume (L) = 1.05658 - Viscosity (mPa s) = 1.86787 + Viscosity (mPa s) = 1.87281 Activity of water = 0.985 Ionic strength (mol/kgw) = 9.086e-01 Mass of water (kg) = 1.058e+00 @@ -177,7 +177,6 @@ H(0) 2.695e-30 H2 1.347e-30 1.661e-30 -29.871 -29.780 0.091 28.65 Na 6.057e-01 Na+ 6.057e-01 4.467e-01 -0.218 -0.350 -0.132 -2.04 - NaOH 1.584e-18 1.953e-18 -17.800 -17.709 0.091 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.732 -41.641 0.091 27.49 S(-2) 0.000e+00 @@ -228,19 +227,19 @@ Thenardite -1.81 -2.12 -0.32 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- pH = 7.467 Charge balance - pe = 6.545 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 16505 + pe = 6.544 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 5°C) = 16471 Density (g/cm³) = 1.06174 Volume (L) = 1.08209 - Viscosity (mPa s) = 1.63316 + Viscosity (mPa s) = 1.63796 Activity of water = 0.978 Ionic strength (mol/kgw) = 1.280e+00 Mass of water (kg) = 1.083e+00 Total alkalinity (eq/kg) = 1.131e-09 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.278e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 20 + Electrical balance (eq) = 1.006e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 12 Total H = 1.202551e+02 Total O = 6.197608e+01 @@ -253,18 +252,17 @@ Thenardite -1.81 -2.12 -0.32 0.000e+00 0 0.000e+00 H+ 4.594e-08 3.408e-08 -7.338 -7.467 -0.130 0.00 H2O-0.01 8.414e-10 8.414e-10 -9.075 -9.075 -0.000 (0) H2O 5.551e+01 9.782e-01 1.744 -0.010 0.000 18.02 -H(0) 1.233e-31 - H2 6.163e-32 8.275e-32 -31.210 -31.082 0.128 28.63 +H(0) 1.240e-31 + H2 6.199e-32 8.324e-32 -31.208 -31.080 0.128 28.63 Na 8.532e-01 Na+ 8.532e-01 6.494e-01 -0.069 -0.187 -0.119 -1.30 - NaOH 2.587e-18 3.474e-18 -17.587 -17.459 0.128 (0) -O(0) 1.047e-37 - O2 5.233e-38 7.027e-38 -37.281 -37.153 0.128 28.29 +O(0) 1.034e-37 + O2 5.172e-38 6.945e-38 -37.286 -37.158 0.128 28.29 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -84.215 -84.459 -0.244 19.95 - H2S 0.000e+00 0.000e+00 -84.799 -84.671 0.128 29.51 - S-2 0.000e+00 0.000e+00 -89.760 -90.547 -0.787 (0) - (H2S)2 0.000e+00 0.000e+00 -171.003 -170.875 0.128 30.79 + HS- 0.000e+00 0.000e+00 -84.205 -84.449 -0.244 19.95 + H2S 0.000e+00 0.000e+00 -84.789 -84.661 0.128 29.51 + S-2 0.000e+00 0.000e+00 -89.750 -90.537 -0.787 (0) + (H2S)2 0.000e+00 0.000e+00 -170.982 -170.854 0.128 30.79 S(6) 4.266e-01 SO4-2 4.266e-01 1.779e-02 -0.370 -1.750 -1.380 (0) HSO4- 4.684e-08 3.963e-08 -7.329 -7.402 -0.073 39.06 @@ -275,10 +273,10 @@ S(6) 4.266e-01 H2(g) -28.05 -31.08 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O - H2S(g) -83.93 -91.93 -7.99 H2S + H2S(g) -83.92 -91.92 -7.99 H2S Mirabilite 0.00 -2.22 -2.22 Na2SO4:10H2O - O2(g) -34.44 -37.15 -2.71 O2 - Sulfur -62.03 -56.65 5.38 S + O2(g) -34.44 -37.16 -2.71 O2 + Sulfur -62.02 -56.64 5.38 S Thenardite -1.81 -2.12 -0.32 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -295,7 +293,7 @@ Using temperature 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Mirabilite 0.00 -1.95 -1.95 1.200e+01 1.131e+01 -6.889e-01 +Mirabilite -0.00 -1.95 -1.95 1.200e+01 1.131e+01 -6.889e-01 Thenardite -1.51 -1.82 -0.31 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -308,19 +306,19 @@ Thenardite -1.51 -1.82 -0.31 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- pH = 7.341 Charge balance - pe = 7.728 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 10°C) = 25470 + pe = 7.727 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 10°C) = 25421 Density (g/cm³) = 1.08757 Volume (L) = 1.12358 - Viscosity (mPa s) = 1.48906 + Viscosity (mPa s) = 1.49312 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.839e+00 Mass of water (kg) = 1.124e+00 Total alkalinity (eq/kg) = 1.090e-09 Temperature (°C) = 10.00 - Electrical balance (eq) = -1.231e-09 + Electrical balance (eq) = -1.082e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 13 Total H = 1.247909e+02 Total O = 6.515115e+01 @@ -333,18 +331,17 @@ Thenardite -1.51 -1.82 -0.31 0.000e+00 0 0.000e+00 H+ 6.233e-08 4.562e-08 -7.205 -7.341 -0.136 0.00 H2O-0.01 8.108e-10 8.108e-10 -9.091 -9.091 -0.000 (0) H2O 5.551e+01 9.687e-01 1.744 -0.014 0.000 18.02 -H(0) 7.895e-34 - H2 3.947e-34 6.028e-34 -33.404 -33.220 0.184 28.63 +H(0) 7.930e-34 + H2 3.965e-34 6.055e-34 -33.402 -33.218 0.184 28.63 Na 1.226e+00 Na+ 1.226e+00 9.964e-01 0.088 -0.002 -0.090 -0.64 - NaOH 4.076e-18 6.225e-18 -17.390 -17.206 0.184 (0) -O(0) 1.127e-31 - O2 5.635e-32 8.606e-32 -31.249 -31.065 0.184 28.95 +O(0) 1.117e-31 + O2 5.585e-32 8.529e-32 -31.253 -31.069 0.184 28.95 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -93.402 -93.667 -0.265 20.70 - H2S 0.000e+00 0.000e+00 -94.025 -93.841 0.184 31.64 - S-2 0.000e+00 0.000e+00 -98.873 -99.714 -0.841 (0) - (H2S)2 0.000e+00 0.000e+00 -189.328 -189.144 0.184 30.64 + HS- 0.000e+00 0.000e+00 -93.394 -93.659 -0.265 20.70 + H2S 0.000e+00 0.000e+00 -94.017 -93.833 0.184 31.64 + S-2 0.000e+00 0.000e+00 -98.865 -99.706 -0.841 (0) + (H2S)2 0.000e+00 0.000e+00 -189.312 -189.128 0.184 30.64 S(6) 6.129e-01 SO4-2 6.129e-01 1.536e-02 -0.213 -1.814 -1.601 (0) HSO4- 5.158e-08 5.018e-08 -7.288 -7.299 -0.012 39.93 @@ -355,8 +352,8 @@ S(6) 6.129e-01 H2(g) -30.16 -33.22 -3.05 H2 H2O(g) -1.92 -0.01 1.91 H2O - H2S(g) -93.03 -101.01 -7.98 H2S - Mirabilite 0.00 -1.95 -1.95 Na2SO4:10H2O + H2S(g) -93.02 -101.00 -7.98 H2S + Mirabilite -0.00 -1.95 -1.95 Na2SO4:10H2O O2(g) -28.30 -31.07 -2.77 O2 Sulfur -68.95 -63.70 5.25 S Thenardite -1.51 -1.82 -0.31 Na2SO4 @@ -388,19 +385,19 @@ Thenardite -1.19 -1.49 -0.30 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- pH = 7.203 Charge balance - pe = 9.716 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 38213 + pe = 9.722 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 15°C) = 38196 Density (g/cm³) = 1.12787 Volume (L) = 1.19656 - Viscosity (mPa s) = 1.46094 + Viscosity (mPa s) = 1.46184 Activity of water = 0.954 Ionic strength (mol/kgw) = 2.723e+00 Mass of water (kg) = 1.195e+00 Total alkalinity (eq/kg) = 1.025e-09 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.236e-09 + Electrical balance (eq) = -3.337e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 15 Total H = 1.327108e+02 Total O = 7.069507e+01 @@ -411,20 +408,19 @@ Thenardite -1.19 -1.49 -0.30 0.000e+00 0 0.000e+00 OH- 1.335e-07 6.900e-08 -6.874 -7.161 -0.287 -0.27 H+ 8.683e-08 6.270e-08 -7.061 -7.203 -0.141 0.00 - H2O-0.01 7.625e-10 7.625e-10 -9.118 -9.118 0.000 (0) + H2O-0.01 7.624e-10 7.624e-10 -9.118 -9.118 0.000 (0) H2O 5.551e+01 9.537e-01 1.744 -0.021 0.000 18.03 -H(0) 1.218e-37 - H2 6.092e-38 1.140e-37 -37.215 -36.943 0.272 28.62 +H(0) 1.183e-37 + H2 5.917e-38 1.108e-37 -37.228 -36.956 0.272 28.62 Na 1.815e+00 Na+ 1.815e+00 1.673e+00 0.259 0.224 -0.035 0.01 - NaOH 6.168e-18 1.154e-17 -17.210 -16.938 0.272 (0) -O(0) 1.426e-22 - O2 7.132e-23 1.335e-22 -22.147 -21.875 0.272 29.51 +O(0) 1.512e-22 + O2 7.561e-23 1.415e-22 -22.121 -21.849 0.272 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -108.942 -109.229 -0.287 21.41 - H2S 0.000e+00 0.000e+00 -109.619 -109.347 0.272 33.43 - S-2 0.000e+00 0.000e+00 -114.356 -115.252 -0.896 (0) - (H2S)2 0.000e+00 0.000e+00 -220.362 -220.089 0.272 30.48 + HS- 0.000e+00 0.000e+00 -108.993 -109.279 -0.287 21.41 + H2S 0.000e+00 0.000e+00 -109.670 -109.397 0.272 33.43 + S-2 0.000e+00 0.000e+00 -114.407 -115.303 -0.896 (0) + (H2S)2 0.000e+00 0.000e+00 -220.463 -220.191 0.272 30.48 S(6) 9.075e-01 SO4-2 9.075e-01 1.155e-02 -0.042 -1.937 -1.895 (0) HSO4- 4.566e-08 5.714e-08 -7.340 -7.243 0.097 40.71 @@ -433,12 +429,12 @@ S(6) 9.075e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -33.87 -36.94 -3.07 H2 + H2(g) -33.88 -36.96 -3.07 H2 H2O(g) -1.79 -0.02 1.77 H2O - H2S(g) -108.47 -116.43 -7.96 H2S + H2S(g) -108.52 -116.48 -7.96 H2S Mirabilite 0.00 -1.70 -1.70 Na2SO4:10H2O - O2(g) -19.06 -21.87 -2.81 O2 - Sulfur -80.63 -75.51 5.12 S + O2(g) -19.04 -21.85 -2.81 O2 + Sulfur -80.67 -75.55 5.12 S Thenardite -1.19 -1.49 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -455,7 +451,7 @@ Using temperature 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Mirabilite 0.00 -1.45 -1.45 1.200e+01 1.005e+01 -1.955e+00 +Mirabilite -0.00 -1.45 -1.45 1.200e+01 1.005e+01 -1.955e+00 Thenardite -0.82 -1.12 -0.30 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -468,21 +464,21 @@ Thenardite -0.82 -1.12 -0.30 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- pH = 7.057 Charge balance - pe = 11.738 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 53788 + pe = 11.966 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 20°C) = 54118 Density (g/cm³) = 1.20069 Volume (L) = 1.35741 - Viscosity (mPa s) = 1.71582 + Viscosity (mPa s) = 1.70097 Activity of water = 0.926 Ionic strength (mol/kgw) = 4.337e+00 Mass of water (kg) = 1.352e+00 Total alkalinity (eq/kg) = 9.064e-10 Temperature (°C) = 20.00 - Electrical balance (eq) = -1.215e-09 + Electrical balance (eq) = -1.229e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 - Total H = 1.501077e+02 - Total O = 8.287288e+01 + Iterations = 39 + Total H = 1.501076e+02 + Total O = 8.287285e+01 ----------------------------Distribution of species---------------------------- @@ -491,20 +487,19 @@ Thenardite -0.82 -1.12 -0.30 0.000e+00 0 0.000e+00 OH- 1.479e-07 7.228e-08 -6.830 -7.141 -0.311 2.25 H+ 1.232e-07 8.773e-08 -6.909 -7.057 -0.147 0.00 - H2O-0.01 7.069e-10 7.069e-10 -9.151 -9.151 0.000 (0) + H2O-0.01 7.031e-10 7.032e-10 -9.153 -9.153 0.000 (0) H2O 5.551e+01 9.263e-01 1.744 -0.033 0.000 18.05 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.151 -40.718 0.434 28.61 + H2 0.000e+00 0.000e+00 -41.608 -41.174 0.434 28.61 Na 2.891e+00 Na+ 2.891e+00 3.455e+00 0.461 0.538 0.077 0.72 - NaOH 9.199e-18 2.497e-17 -17.036 -16.603 0.434 (0) -O(0) 1.639e-13 - O2 8.197e-14 2.225e-13 -13.086 -12.653 0.434 29.98 +O(0) 1.343e-12 + O2 6.717e-13 1.823e-12 -12.173 -11.739 0.434 29.98 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -124.762 -125.072 -0.311 22.20 - H2S 0.000e+00 0.000e+00 -125.553 -125.119 0.434 34.96 - S-2 0.000e+00 0.000e+00 -130.130 -131.085 -0.955 (0) - (H2S)2 0.000e+00 0.000e+00 -252.007 -251.573 0.434 30.29 + HS- 0.000e+00 0.000e+00 -126.589 -126.899 -0.311 22.20 + H2S 0.000e+00 0.000e+00 -127.380 -126.946 0.434 34.96 + S-2 0.000e+00 0.000e+00 -131.957 -132.912 -0.955 (0) + (H2S)2 0.000e+00 0.000e+00 -255.661 -255.228 0.434 30.29 S(6) 1.446e+00 SO4-2 1.446e+00 6.421e-03 0.160 -2.192 -2.352 (0) HSO4- 2.376e-08 4.922e-08 -7.624 -7.308 0.316 41.45 @@ -513,12 +508,12 @@ S(6) 1.446e+00 Phase SI** log IAP log K(293 K, 1 atm) - H2(g) -37.63 -40.72 -3.09 H2 + H2(g) -38.09 -41.17 -3.09 H2 H2O(g) -1.67 -0.03 1.63 H2O - H2S(g) -124.18 -132.13 -7.95 H2S - Mirabilite 0.00 -1.45 -1.45 Na2SO4:10H2O - O2(g) -9.80 -12.65 -2.85 O2 - Sulfur -92.53 -87.53 5.00 S + H2S(g) -126.01 -133.96 -7.95 H2S + Mirabilite -0.00 -1.45 -1.45 Na2SO4:10H2O + O2(g) -8.88 -11.74 -2.85 O2 + Sulfur -93.90 -88.90 5.00 S Thenardite -0.82 -1.12 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -549,18 +544,18 @@ Thenardite -0.12 -0.42 -0.30 0.000e+00 0 0.000e+00 pH = 6.947 Charge balance pe = 11.882 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 57014 + Specific Conductance (µS/cm, 25°C) = 59647 Density (g/cm³) = 1.50869 Volume (L) = 3.22562 - Viscosity (mPa s) = 5.64986 + Viscosity (mPa s) = 5.29873 Activity of water = 0.806 Ionic strength (mol/kgw) = 1.139e+01 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.238e-09 + Electrical balance (eq) = -1.226e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 32 + Iterations = 67 Total H = 3.510124e+02 Total O = 2.235062e+02 @@ -574,17 +569,16 @@ Thenardite -0.12 -0.42 -0.30 0.000e+00 0 0.000e+00 H2O-0.01 6.132e-10 6.134e-10 -9.212 -9.212 0.000 (0) H2O 5.551e+01 8.064e-01 1.744 -0.093 0.000 18.07 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.946 -40.808 1.139 28.61 + H2 0.000e+00 0.000e+00 -41.947 -40.808 1.139 28.61 Na 7.590e+00 Na+ 7.590e+00 3.179e+01 0.880 1.502 0.622 2.26 - NaOH 1.669e-17 2.296e-16 -16.778 -15.639 1.139 (0) -O(0) 1.626e-12 - O2 8.132e-13 1.119e-11 -12.090 -10.951 1.139 30.40 +O(0) 1.628e-12 + O2 8.140e-13 1.120e-11 -12.089 -10.951 1.139 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -126.626 -126.979 -0.353 23.76 - H2S 0.000e+00 0.000e+00 -128.122 -126.984 1.139 36.27 - S-2 0.000e+00 0.000e+00 -131.897 -132.950 -1.052 (0) - (H2S)2 0.000e+00 0.000e+00 -256.384 -255.246 1.139 30.09 + HS- 0.000e+00 0.000e+00 -126.627 -126.979 -0.353 23.76 + H2S 0.000e+00 0.000e+00 -128.123 -126.985 1.139 36.27 + S-2 0.000e+00 0.000e+00 -131.898 -132.951 -1.052 (0) + (H2S)2 0.000e+00 0.000e+00 -256.386 -255.248 1.139 30.09 S(6) 3.795e+00 SO4-2 3.795e+00 3.765e-04 0.579 -3.424 -4.003 (0) HSO4- 1.854e-10 4.137e-09 -9.732 -8.383 1.349 42.45 @@ -628,11 +622,11 @@ Thenardite -0.13 -0.44 -0.31 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- pH = 6.865 Charge balance - pe = 11.557 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 62934 + pe = 11.588 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 30°C) = 65890 Density (g/cm³) = 1.50650 Volume (L) = 3.23030 - Viscosity (mPa s) = 5.06731 + Viscosity (mPa s) = 4.74742 Activity of water = 0.806 Ionic strength (mol/kgw) = 1.139e+01 Mass of water (kg) = 3.162e+00 @@ -651,20 +645,19 @@ Thenardite -0.13 -0.44 -0.31 0.000e+00 0 0.000e+00 OH- 1.967e-07 8.684e-08 -6.706 -7.061 -0.355 11.76 H+ 1.961e-07 1.363e-07 -6.708 -6.865 -0.158 0.00 - H2O-0.01 6.178e-10 6.180e-10 -9.209 -9.209 0.000 (0) + H2O-0.01 6.174e-10 6.176e-10 -9.209 -9.209 0.000 (0) H2O 5.551e+01 8.064e-01 1.744 -0.093 0.000 18.09 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.155 -40.017 1.139 28.60 + H2 0.000e+00 0.000e+00 -41.217 -40.078 1.139 28.60 Na 7.590e+00 Na+ 7.590e+00 3.163e+01 0.880 1.500 0.620 2.27 - NaOH 1.997e-17 2.747e-16 -16.700 -15.561 1.139 (0) -O(0) 1.646e-12 - O2 8.232e-13 1.132e-11 -12.085 -10.946 1.139 30.77 +O(0) 2.185e-12 + O2 1.093e-12 1.503e-11 -11.962 -10.823 1.139 30.77 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -124.033 -124.388 -0.355 24.10 - H2S 0.000e+00 0.000e+00 -125.512 -124.373 1.139 37.42 - S-2 0.000e+00 0.000e+00 -129.235 -130.294 -1.059 (0) - (H2S)2 0.000e+00 0.000e+00 -251.111 -249.973 1.139 29.87 + HS- 0.000e+00 0.000e+00 -124.278 -124.634 -0.355 24.10 + H2S 0.000e+00 0.000e+00 -125.758 -124.619 1.139 37.42 + S-2 0.000e+00 0.000e+00 -129.481 -130.540 -1.059 (0) + (H2S)2 0.000e+00 0.000e+00 -251.603 -250.464 1.139 29.87 S(6) 3.795e+00 SO4-2 3.795e+00 3.663e-04 0.579 -3.436 -4.015 (0) HSO4- 2.366e-10 5.426e-09 -9.626 -8.266 1.360 42.74 @@ -673,12 +666,12 @@ S(6) 3.795e+00 Phase SI** log IAP log K(303 K, 1 atm) - H2(g) -36.91 -40.02 -3.11 H2 + H2(g) -36.97 -40.08 -3.11 H2 H2O(g) -1.47 -0.09 1.38 H2O - H2S(g) -123.33 -131.25 -7.93 H2S + H2S(g) -123.57 -131.50 -7.93 H2S Mirabilite -0.38 -1.37 -0.99 Na2SO4:10H2O - O2(g) -8.02 -10.95 -2.93 O2 - Sulfur -92.29 -87.53 4.77 S + O2(g) -7.90 -10.82 -2.93 O2 + Sulfur -92.48 -87.71 4.77 S Thenardite -0.13 -0.44 -0.31 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -686,12 +679,6 @@ S(6) 3.795e+00 Reaction step 8. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using pure phase assemblage 1. Using temperature 1. @@ -715,18 +702,18 @@ Thenardite -0.13 -0.45 -0.32 0.000e+00 0 0.000e+00 pH = 6.788 Charge balance pe = 11.243 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 69037 + Specific Conductance (µS/cm, 35°C) = 72322 Density (g/cm³) = 1.50406 Volume (L) = 3.23554 - Viscosity (mPa s) = 4.57091 + Viscosity (mPa s) = 4.27865 Activity of water = 0.806 Ionic strength (mol/kgw) = 1.139e+01 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 35.00 - Electrical balance (eq) = -1.248e-09 + Electrical balance (eq) = -1.303e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 53 (154 overall) + Iterations = 40 Total H = 3.510124e+02 Total O = 2.235062e+02 @@ -743,14 +730,13 @@ H(0) 0.000e+00 H2 0.000e+00 5.590e-40 -40.391 -39.253 1.139 28.60 Na 7.590e+00 Na+ 7.590e+00 3.147e+01 0.880 1.498 0.618 2.28 - NaOH 2.366e-17 3.256e-16 -16.626 -15.487 1.139 (0) O(0) 1.672e-12 - O2 8.362e-13 1.150e-11 -12.078 -10.939 1.139 31.10 + O2 8.361e-13 1.150e-11 -12.078 -10.939 1.139 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -121.529 -121.887 -0.358 24.41 + HS- 0.000e+00 0.000e+00 -121.529 -121.886 -0.358 24.41 H2S 0.000e+00 0.000e+00 -122.989 -121.851 1.139 38.44 S-2 0.000e+00 0.000e+00 -126.662 -127.729 -1.067 (0) - (H2S)2 0.000e+00 0.000e+00 -246.018 -244.879 1.139 29.63 + (H2S)2 0.000e+00 0.000e+00 -246.017 -244.879 1.139 29.63 S(6) 3.795e+00 SO4-2 3.795e+00 3.558e-04 0.579 -3.449 -4.028 (0) HSO4- 2.997e-10 7.073e-09 -9.523 -8.150 1.373 42.99 @@ -802,7 +788,7 @@ Using temperature 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Thenardite -0.00 -0.37 -0.37 2.000e+00 2.824e+00 8.245e-01 +Thenardite 0.00 -0.37 -0.37 2.000e+00 2.824e+00 8.245e-01 -----------------------------Solution composition------------------------------ @@ -814,19 +800,19 @@ Thenardite -0.00 -0.37 -0.37 2.000e+00 2.824e+00 8.245e-01 ----------------------------Description of solution---------------------------- pH = 6.574 Charge balance - pe = 10.471 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 90406 + pe = 10.745 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 50°C) = 94490 Density (g/cm³) = 1.46188 Volume (L) = 3.24878 - Viscosity (mPa s) = 3.05202 + Viscosity (mPa s) = 2.86629 Activity of water = 0.820 Ionic strength (mol/kgw) = 1.060e+01 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 50.00 - Electrical balance (eq) = -1.248e-09 + Electrical balance (eq) = -1.208e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 7 Total H = 3.510124e+02 Total O = 2.202083e+02 @@ -837,20 +823,19 @@ Thenardite -0.00 -0.37 -0.37 2.000e+00 2.824e+00 8.245e-01 OH- 3.888e-07 1.684e-07 -6.410 -6.774 -0.363 11.61 H+ 3.868e-07 2.664e-07 -6.413 -6.574 -0.162 0.00 - H2O-0.01 6.439e-10 6.441e-10 -9.191 -9.191 0.000 (0) + H2O-0.01 6.399e-10 6.401e-10 -9.194 -9.194 0.000 (0) H2O 5.551e+01 8.197e-01 1.744 -0.086 0.000 18.23 -H(0) 7.941e-39 - H2 3.970e-39 4.562e-38 -38.401 -37.341 1.060 28.59 +H(0) 2.248e-39 + H2 1.124e-39 1.291e-38 -38.949 -37.889 1.060 28.59 Na 7.069e+00 Na+ 7.069e+00 2.498e+01 0.849 1.398 0.548 2.17 - NaOH 3.662e-17 4.208e-16 -16.436 -15.376 1.060 (0) -O(0) 6.512e-12 - O2 3.256e-12 3.741e-11 -11.487 -10.427 1.060 31.92 +O(0) 8.128e-11 + O2 4.064e-11 4.669e-10 -10.391 -9.331 1.060 31.92 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -115.161 -115.524 -0.363 24.98 - H2S 0.000e+00 0.000e+00 -116.471 -115.411 1.060 40.92 - S-2 0.000e+00 0.000e+00 -120.096 -121.181 -1.085 (0) - (H2S)2 0.000e+00 0.000e+00 -232.936 -231.875 1.060 28.78 + HS- 0.000e+00 0.000e+00 -117.353 -117.716 -0.363 24.98 + H2S 0.000e+00 0.000e+00 -118.664 -117.603 1.060 40.92 + S-2 0.000e+00 0.000e+00 -122.289 -123.374 -1.085 (0) + (H2S)2 0.000e+00 0.000e+00 -237.321 -236.260 1.060 28.78 S(6) 3.534e+00 SO4-2 3.534e+00 6.763e-04 0.548 -3.170 -3.718 (0) HSO4- 1.623e-09 3.175e-08 -8.790 -7.498 1.291 43.60 @@ -859,13 +844,13 @@ S(6) 3.534e+00 Phase SI** log IAP log K(323 K, 1 atm) - H2(g) -34.20 -37.34 -3.14 H2 + H2(g) -34.75 -37.89 -3.14 H2 H2O(g) -1.00 -0.09 0.92 H2O - H2S(g) -114.18 -122.10 -7.91 H2S + H2S(g) -116.38 -124.29 -7.91 H2S Mirabilite -0.92 -1.24 -0.32 Na2SO4:10H2O - O2(g) -7.40 -10.43 -3.03 O2 - Sulfur -85.66 -81.32 4.34 S - Thenardite -0.00 -0.37 -0.37 Na2SO4 + O2(g) -6.30 -9.33 -3.03 O2 + Sulfur -87.31 -82.96 4.34 S + Thenardite 0.00 -0.37 -0.37 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -893,12 +878,6 @@ Beginning of batch-reaction calculations. Reaction step 1. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Solution after simulation 1. Using pure phase assemblage 1. Using temperature 1. @@ -920,19 +899,19 @@ Thenardite 0.00 -0.52 -0.52 2.000e+00 3.977e+00 1.977e+00 ----------------------------Description of solution---------------------------- pH = 6.282 Charge balance - pe = 9.257 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 128147 + pe = 9.791 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 75°C) = 133341 Density (g/cm³) = 1.39609 Volume (L) = 3.28461 - Viscosity (mPa s) = 1.74173 + Viscosity (mPa s) = 1.64611 Activity of water = 0.838 Ionic strength (mol/kgw) = 9.510e+00 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 75.00 - Electrical balance (eq) = -1.246e-09 + Electrical balance (eq) = -1.302e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 31 (132 overall) + Iterations = 17 Total H = 3.510124e+02 Total O = 2.155980e+02 @@ -943,20 +922,19 @@ Thenardite 0.00 -0.52 -0.52 2.000e+00 3.977e+00 1.977e+00 OH- 7.812e-07 3.293e-07 -6.107 -6.482 -0.375 10.61 H+ 7.694e-07 5.225e-07 -6.114 -6.282 -0.168 0.00 - H2O-0.01 6.772e-10 6.774e-10 -9.169 -9.169 0.000 (0) + H2O-0.01 6.689e-10 6.691e-10 -9.175 -9.174 0.000 (0) H2O 5.551e+01 8.383e-01 1.744 -0.077 0.000 18.48 -H(0) 8.656e-36 - H2 4.328e-36 3.866e-35 -35.364 -34.413 0.951 28.58 +H(0) 7.409e-37 + H2 3.705e-37 3.309e-36 -36.431 -35.480 0.951 28.58 Na 6.340e+00 Na+ 6.340e+00 1.778e+01 0.802 1.250 0.448 2.05 - NaOH 6.553e-17 5.854e-16 -16.184 -15.233 0.951 (0) -O(0) 2.892e-11 - O2 1.446e-11 1.292e-10 -10.840 -9.889 0.951 32.99 +O(0) 3.947e-09 + O2 1.974e-09 1.763e-08 -8.705 -7.754 0.951 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -105.607 -105.982 -0.375 25.50 - H2S 0.000e+00 0.000e+00 -106.660 -105.709 0.951 43.89 - S-2 0.000e+00 0.000e+00 -110.222 -111.345 -1.123 (0) - (H2S)2 0.000e+00 0.000e+00 -213.279 -212.328 0.951 26.89 + HS- 0.000e+00 0.000e+00 -109.877 -110.252 -0.375 25.50 + H2S 0.000e+00 0.000e+00 -110.930 -109.979 0.951 43.89 + S-2 0.000e+00 0.000e+00 -114.492 -115.615 -1.123 (0) + (H2S)2 0.000e+00 0.000e+00 -221.820 -220.869 0.951 26.89 S(6) 3.170e+00 SO4-2 3.170e+00 9.649e-04 0.501 -3.016 -3.517 (0) HSO4- 1.140e-08 1.743e-07 -7.943 -6.759 1.184 44.35 @@ -965,12 +943,12 @@ S(6) 3.170e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -31.28 -34.41 -3.13 H2 + H2(g) -32.35 -35.48 -3.13 H2 H2O(g) -0.50 -0.08 0.42 H2O - H2S(g) -104.33 -112.26 -7.94 H2S + H2S(g) -108.60 -116.53 -7.94 H2S Mirabilite -1.23 -1.28 -0.05 Na2SO4:10H2O - O2(g) -6.79 -9.89 -3.10 O2 - Sulfur -78.51 -74.63 3.88 S + O2(g) -4.66 -7.75 -3.10 O2 + Sulfur -81.72 -77.83 3.88 S Thenardite 0.00 -0.52 -0.52 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1019,19 +997,19 @@ Thenardite 0.00 -0.70 -0.70 2.000e+00 4.464e+00 2.464e+00 ----------------------------Description of solution---------------------------- pH = 6.053 Charge balance - pe = 8.618 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 165283 + pe = 8.545 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 100°C) = 171550 Density (g/cm³) = 1.35308 Volume (L) = 3.33789 - Viscosity (mPa s) = 1.17850 + Viscosity (mPa s) = 1.11779 Activity of water = 0.846 Ionic strength (mol/kgw) = 9.048e+00 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 100.00 - Electrical balance (eq) = -1.248e-09 + Electrical balance (eq) = -1.302e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 32 Total H = 3.510124e+02 Total O = 2.136502e+02 @@ -1042,20 +1020,19 @@ Thenardite 0.00 -0.70 -0.70 2.000e+00 4.464e+00 2.464e+00 OH- 1.364e-06 5.528e-07 -5.865 -6.257 -0.392 9.96 H+ 1.326e-06 8.843e-07 -5.878 -6.053 -0.176 0.00 - H2O-0.01 6.937e-10 6.939e-10 -9.159 -9.159 0.000 (0) + H2O-0.01 6.949e-10 6.951e-10 -9.158 -9.158 0.000 (0) H2O 5.551e+01 8.462e-01 1.744 -0.073 0.000 18.80 -H(0) 4.401e-34 - H2 2.200e-34 1.767e-33 -33.658 -32.753 0.905 28.57 +H(0) 6.169e-34 + H2 3.085e-34 2.477e-33 -33.511 -32.606 0.905 28.57 Na 6.032e+00 Na+ 6.032e+00 1.497e+01 0.780 1.175 0.395 2.02 - NaOH 1.030e-16 8.276e-16 -15.987 -15.082 0.905 (0) -O(0) 5.202e-09 - O2 2.601e-09 2.089e-08 -8.585 -7.680 0.905 33.90 +O(0) 2.647e-09 + O2 1.323e-09 1.063e-08 -8.878 -7.974 0.905 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -101.005 -101.397 -0.392 25.82 - H2S 0.000e+00 0.000e+00 -101.835 -100.930 0.905 46.17 - S-2 0.000e+00 0.000e+00 -105.305 -106.479 -1.175 (0) - (H2S)2 0.000e+00 0.000e+00 -203.598 -202.693 0.905 24.22 + HS- 0.000e+00 0.000e+00 -100.418 -100.810 -0.392 25.82 + H2S 0.000e+00 0.000e+00 -101.248 -100.343 0.905 46.17 + S-2 0.000e+00 0.000e+00 -104.718 -105.892 -1.175 (0) + (H2S)2 0.000e+00 0.000e+00 -202.424 -201.519 0.905 24.22 S(6) 3.016e+00 SO4-2 3.016e+00 8.922e-04 0.479 -3.050 -3.529 (0) HSO4- 3.749e-08 5.654e-07 -7.426 -6.248 1.178 44.95 @@ -1064,12 +1041,12 @@ S(6) 3.016e+00 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -29.65 -32.75 -3.10 H2 + H2(g) -29.51 -32.61 -3.10 H2 H2O(g) -0.08 -0.07 0.00 H2O - H2S(g) -99.45 -107.45 -8.00 H2S + H2S(g) -98.86 -106.86 -8.00 H2S Mirabilite -0.89 -1.42 -0.53 Na2SO4:10H2O - O2(g) -4.57 -7.68 -3.11 O2 - Sulfur -75.07 -71.59 3.48 S + O2(g) -4.86 -7.97 -3.11 O2 + Sulfur -74.63 -71.15 3.48 S Thenardite 0.00 -0.70 -0.70 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1118,20 +1095,20 @@ Thenardite 0.00 -1.15 -1.15 2.000e+00 3.971e+00 1.971e+00 ----------------------------Description of solution---------------------------- pH = 5.734 Charge balance - pe = 6.582 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 228999 + pe = 6.634 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 150°C) = 237842 Density (g/cm³) = 1.31304 Volume (L) = 3.49304 - Viscosity (mPa s) = 0.77869 + Viscosity (mPa s) = 0.73787 Activity of water = 0.838 Ionic strength (mol/kgw) = 9.516e+00 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 150.00 Pressure (atm) = 3.94 - Electrical balance (eq) = -1.248e-09 + Electrical balance (eq) = -1.302e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 84 + Iterations = 70 Total H = 3.510124e+02 Total O = 2.156226e+02 @@ -1142,20 +1119,19 @@ Thenardite 0.00 -1.15 -1.15 2.000e+00 3.971e+00 1.971e+00 OH- 2.968e-06 1.072e-06 -5.528 -5.970 -0.442 9.79 H+ 2.902e-06 1.844e-06 -5.537 -5.734 -0.197 0.00 - H2O-0.01 7.213e-10 7.215e-10 -9.142 -9.142 0.000 (0) + H2O-0.01 7.204e-10 7.207e-10 -9.142 -9.142 0.000 (0) H2O 5.551e+01 8.382e-01 1.744 -0.077 0.000 19.65 -H(0) 1.528e-29 - H2 7.642e-30 6.835e-29 -29.117 -28.165 0.952 28.56 +H(0) 1.203e-29 + H2 6.013e-30 5.378e-29 -29.221 -28.269 0.952 28.56 Na 6.344e+00 Na+ 6.344e+00 1.555e+01 0.802 1.192 0.389 2.24 - NaOH 1.867e-16 1.670e-15 -15.729 -14.777 0.952 (0) -O(0) 3.703e-09 - O2 1.852e-09 1.656e-08 -8.732 -7.781 0.952 35.92 +O(0) 5.981e-09 + O2 2.990e-09 2.675e-08 -8.524 -7.573 0.952 35.92 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.429 -86.871 -0.442 26.76 - H2S 0.000e+00 0.000e+00 -86.882 -85.931 0.952 50.27 - S-2 0.000e+00 0.000e+00 -90.114 -91.434 -1.320 (0) - (H2S)2 0.000e+00 0.000e+00 -173.639 -172.687 0.952 15.19 + HS- 0.000e+00 0.000e+00 -86.845 -87.288 -0.442 26.76 + H2S 0.000e+00 0.000e+00 -87.299 -86.347 0.952 50.27 + S-2 0.000e+00 0.000e+00 -90.530 -91.850 -1.320 (0) + (H2S)2 0.000e+00 0.000e+00 -174.471 -173.520 0.952 15.19 S(6) 3.172e+00 SO4-2 3.172e+00 2.921e-04 0.501 -3.534 -4.036 (0) HSO4- 6.533e-08 1.835e-06 -7.185 -5.736 1.449 46.63 @@ -1164,12 +1140,12 @@ S(6) 3.172e+00 Phase SI** log IAP log K(423 K, 4 atm) - H2(g) -25.19 -28.17 -2.98 H2 + H2(g) -25.29 -28.27 -2.98 H2 H2O(g) 0.58 -0.08 -0.66 H2O - H2S(g) -84.37 -92.61 -8.23 H2S + H2S(g) -84.79 -93.02 -8.23 H2S Mirabilite 2.05 -1.92 -3.97 Na2SO4:10H2O - O2(g) -4.74 -7.78 -3.04 O2 - Sulfur -64.12 -61.30 2.82 S + O2(g) -4.53 -7.57 -3.04 O2 + Sulfur -64.43 -61.61 2.82 S Thenardite 0.00 -1.15 -1.15 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1209,30 +1185,6 @@ WARNING: Numerical method failed with this set of convergence parameters. WARNING: Trying reduced tolerance 1e-16 ... -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying increased tolerance 1e-14 ... - -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying diagonal scaling ... - -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying diagonal scaling and reduced tolerance 1e-16 ... - -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying scaling pure_phase columns 1e-10 ... - Using solution 1. Solution after simulation 1. Using pure phase assemblage 1. Using temperature 1. @@ -1242,7 +1194,7 @@ Using temperature 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Thenardite 0.00 -1.71 -1.71 2.000e+00 2.004e+00 3.999e-03 +Thenardite -0.00 -1.71 -1.71 2.000e+00 2.004e+00 3.999e-03 -----------------------------Solution composition------------------------------ @@ -1254,20 +1206,20 @@ Thenardite 0.00 -1.71 -1.71 2.000e+00 2.004e+00 3.999e-03 ----------------------------Description of solution---------------------------- pH = 5.562 Charge balance - pe = 4.983 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 268874 + pe = 4.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 200°C) = 281135 Density (g/cm³) = 1.30394 Volume (L) = 3.73168 - Viscosity (mPa s) = 0.69653 + Viscosity (mPa s) = 0.65376 Activity of water = 0.807 Ionic strength (mol/kgw) = 1.138e+01 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 200.00 Pressure (atm) = 12.40 - Electrical balance (eq) = -1.248e-09 + Electrical balance (eq) = -1.142e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 110 (1216 overall) + Iterations = 140 (442 overall) Total H = 3.510124e+02 Total O = 2.234902e+02 @@ -1278,20 +1230,19 @@ Thenardite 0.00 -1.71 -1.71 2.000e+00 2.004e+00 3.999e-03 OH- 4.630e-06 1.415e-06 -5.334 -5.849 -0.515 11.73 H+ 4.617e-06 2.742e-06 -5.336 -5.562 -0.226 0.00 - H2O-0.01 7.231e-10 7.235e-10 -9.141 -9.141 0.000 (0) + H2O-0.01 7.369e-10 7.372e-10 -9.133 -9.132 0.000 (0) H2O 5.551e+01 8.065e-01 1.744 -0.093 0.000 20.84 -H(0) 2.774e-26 - H2 1.387e-26 1.906e-25 -25.858 -24.720 1.138 28.55 +H(0) 1.194e-24 + H2 5.970e-25 8.207e-24 -24.224 -23.086 1.138 28.55 Na 7.588e+00 Na+ 7.588e+00 2.288e+01 0.880 1.360 0.479 3.12 - NaOH 2.365e-16 3.251e-15 -15.626 -14.488 1.138 (0) -O(0) 4.139e-09 - O2 2.069e-09 2.844e-08 -8.684 -7.546 1.138 39.28 +O(0) 2.233e-12 + O2 1.117e-12 1.535e-11 -11.952 -10.814 1.138 39.28 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -76.131 -76.646 -0.515 30.18 - H2S 0.000e+00 0.000e+00 -76.300 -75.162 1.138 55.87 - S-2 0.000e+00 0.000e+00 -79.190 -80.718 -1.528 (0) - (H2S)2 0.000e+00 0.000e+00 -152.418 -151.280 1.138 -4.21 + HS- 0.000e+00 0.000e+00 -69.595 -70.110 -0.515 30.18 + H2S 0.000e+00 0.000e+00 -69.764 -68.626 1.138 55.87 + S-2 0.000e+00 0.000e+00 -72.654 -74.182 -1.528 (0) + (H2S)2 0.000e+00 0.000e+00 -139.347 -138.208 1.138 -4.21 S(6) 3.794e+00 SO4-2 3.794e+00 3.697e-05 0.579 -4.432 -5.011 (0) HSO4- 1.257e-08 1.759e-06 -7.901 -5.755 2.146 51.57 @@ -1300,13 +1251,13 @@ S(6) 3.794e+00 Phase SI** log IAP log K(473 K, 12 atm) - H2(g) -21.91 -24.72 -2.81 H2 + H2(g) -20.27 -23.09 -2.81 H2 H2O(g) 1.06 -0.09 -1.16 H2O - H2S(g) -73.63 -82.21 -8.58 H2S + H2S(g) -67.09 -75.67 -8.58 H2S Mirabilite 8.13 -2.65 -10.77 Na2SO4:10H2O - O2(g) -4.67 -7.55 -2.87 O2 - Sulfur -56.37 -54.07 2.30 S - Thenardite 0.00 -1.71 -1.71 Na2SO4 + O2(g) -7.94 -10.81 -2.87 O2 + Sulfur -51.47 -49.17 2.30 S + Thenardite -0.00 -1.71 -1.71 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1339,12 +1290,6 @@ WARNING: Numerical method failed with this set of convergence parameters. WARNING: Trying smaller step size, pe step size 10, 5 ... -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 1. Solution after simulation 1. Using pure phase assemblage 1. Using temperature 1. @@ -1366,20 +1311,20 @@ Thenardite -0.20 -2.25 -2.05 2.000e+00 0 -2.000e+00 ----------------------------Description of solution---------------------------- pH = 5.526 Charge balance - pe = 4.269 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 225°C) = 268745 + pe = 4.322 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 225°C) = 283179 Density (g/cm³) = 1.31812 Volume (L) = 3.90748 - Viscosity (mPa s) = 0.76919 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.71408 (solute contributions limited to 200 °C) Activity of water = 0.774 Ionic strength (mol/kgw) = 1.328e+01 Mass of water (kg) = 3.162e+00 Total alkalinity (eq/kg) = 3.876e-10 Temperature (°C) = 225.00 Pressure (atm) = 19.51 - Electrical balance (eq) = -1.248e-09 + Electrical balance (eq) = -1.303e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 129 (431 overall) + Iterations = 151 (252 overall) Total H = 3.510124e+02 Total O = 2.315062e+02 @@ -1390,20 +1335,19 @@ Thenardite -0.20 -2.25 -2.05 2.000e+00 0 -2.000e+00 OH- 5.239e-06 1.430e-06 -5.281 -5.845 -0.564 15.66 H+ 5.238e-06 2.977e-06 -5.281 -5.526 -0.245 0.00 - H2O-0.01 7.081e-10 7.086e-10 -9.150 -9.150 0.000 (0) + H2O-0.01 7.073e-10 7.078e-10 -9.150 -9.150 0.000 (0) H2O 5.551e+01 7.742e-01 1.744 -0.111 0.000 21.61 -H(0) 5.124e-25 - H2 2.562e-25 5.456e-24 -24.591 -23.263 1.328 28.54 +H(0) 4.016e-25 + H2 2.008e-25 4.276e-24 -24.697 -23.369 1.328 28.54 Na 8.855e+00 Na+ 8.855e+00 3.471e+01 0.947 1.540 0.593 4.12 - NaOH 2.352e-16 5.010e-15 -15.629 -14.300 1.328 (0) -O(0) 3.286e-09 - O2 1.643e-09 3.499e-08 -8.784 -7.456 1.328 42.25 +O(0) 5.350e-09 + O2 2.675e-09 5.697e-08 -8.573 -7.244 1.328 42.25 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -72.277 -72.841 -0.564 35.37 - H2S 0.000e+00 0.000e+00 -72.402 -71.074 1.328 60.48 - S-2 0.000e+00 0.000e+00 -74.999 -76.665 -1.666 (0) - (H2S)2 0.000e+00 0.000e+00 -144.531 -143.203 1.328 -22.62 + HS- 0.000e+00 0.000e+00 -72.700 -73.264 -0.564 35.37 + H2S 0.000e+00 0.000e+00 -72.825 -71.497 1.328 60.48 + S-2 0.000e+00 0.000e+00 -75.422 -77.088 -1.666 (0) + (H2S)2 0.000e+00 0.000e+00 -145.377 -144.049 1.328 -22.62 S(6) 4.428e+00 SO4-2 4.428e+00 4.705e-06 0.646 -5.327 -5.974 (0) HSO4- 7.844e-10 5.528e-07 -9.105 -6.257 2.848 58.18 @@ -1412,12 +1356,12 @@ S(6) 4.428e+00 Phase SI** log IAP log K(498 K, 20 atm) - H2(g) -20.55 -23.26 -2.72 H2 + H2(g) -20.65 -23.37 -2.72 H2 H2O(g) 1.24 -0.11 -1.36 H2O - H2S(g) -69.58 -78.37 -8.78 H2S + H2S(g) -70.01 -78.79 -8.78 H2S Mirabilite 12.04 -3.36 -15.40 Na2SO4:10H2O - O2(g) -4.69 -7.46 -2.77 O2 - Sulfur -53.56 -51.48 2.07 S + O2(g) -4.48 -7.24 -2.77 O2 + Sulfur -53.88 -51.80 2.07 S Thenardite -0.20 -2.25 -2.05 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. diff --git a/mytest/Na2SO4_phr_101.sel b/mytest/Na2SO4_phr_101.sel index 680a19434..693111643 100644 --- a/mytest/Na2SO4_phr_101.sel +++ b/mytest/Na2SO4_phr_101.sel @@ -1,16 +1,16 @@ Mu SC 0.000000100661 0.0546997340 - 0.908591471069 10519.0586731301 - 1.279842737323 16505.9393496321 - 1.838574036097 25470.5713864852 - 2.722597968188 38213.4238216262 - 4.336944681456 53788.4066264394 - 11.385487487878 57014.1675832467 - 11.385487528738 62934.8431876960 - 11.385487575620 69037.1543818603 - 10.603223894571 90406.4635328831 - 9.509675159966 128147.7936460488 - 9.047654647854 165283.3754660159 - 9.515511136223 228999.8575357404 - 11.381699038539 268874.1462935410 - 13.283074998507 268745.1895454169 + 0.908591471069 10499.5180200784 + 1.279842740647 16471.9035297737 + 1.838574036252 25421.8324790218 + 2.722597967240 38196.9050039858 + 4.336941047998 54118.3461871525 + 11.385487487878 59647.4394657620 + 11.385487528738 65890.0348956195 + 11.385487575620 72322.9525380412 + 10.603225372082 94490.2983109213 + 9.509675159982 133341.8660244493 + 9.047654647870 171550.7414522739 + 9.515511136245 237842.9732526094 + 11.381699038587 281135.0971095797 + 13.283074998524 283179.4417382416 diff --git a/mytest/NaCl-SO4.out b/mytest/NaCl-SO4.out index e5d55b43b..a55beec9d 100644 --- a/mytest/NaCl-SO4.out +++ b/mytest/NaCl-SO4.out @@ -1472,7 +1472,7 @@ Thenardite 0.00 -1.81 -1.81 8.977e+00 8.775e+00 -2.017e-01 pH = 6.899 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1433280 + Specific Conductance (µS/cm, 200°C) = 1433279 Density (g/cm³) = 1.08614 Volume (L) = 1.26553 Viscosity (mPa s) = 0.14214 @@ -1564,7 +1564,7 @@ Thenardite 0.00 -1.81 -1.81 8.775e+00 8.302e+00 -4.734e-01 pH = 6.810 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1474531 + Specific Conductance (µS/cm, 200°C) = 1474529 Density (g/cm³) = 1.07918 Volume (L) = 1.25854 Viscosity (mPa s) = 0.14099 @@ -1656,7 +1656,7 @@ Thenardite 0.00 -1.81 -1.81 8.302e+00 7.655e+00 -6.469e-01 pH = 6.709 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1570790 + Specific Conductance (µS/cm, 200°C) = 1570787 Density (g/cm³) = 1.08140 Volume (L) = 1.26361 Viscosity (mPa s) = 0.14043 @@ -1748,7 +1748,7 @@ Thenardite 0.00 -1.81 -1.81 7.655e+00 6.883e+00 -7.717e-01 pH = 6.602 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1703858 + Specific Conductance (µS/cm, 200°C) = 1703854 Density (g/cm³) = 1.09053 Volume (L) = 1.27689 Viscosity (mPa s) = 0.14024 @@ -1840,7 +1840,7 @@ Thenardite 0.00 -1.81 -1.81 6.883e+00 6.022e+00 -8.608e-01 pH = 6.495 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1855513 + Specific Conductance (µS/cm, 200°C) = 1855508 Density (g/cm³) = 1.10402 Volume (L) = 1.29631 Viscosity (mPa s) = 0.14027 @@ -1932,7 +1932,7 @@ Thenardite 0.00 -1.81 -1.81 6.000e+00 5.092e+00 -9.081e-01 pH = 6.386 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2012228 + Specific Conductance (µS/cm, 200°C) = 2012222 Density (g/cm³) = 1.12001 Volume (L) = 1.32116 Viscosity (mPa s) = 0.14043 @@ -2024,7 +2024,7 @@ Thenardite 0.00 -1.81 -1.81 5.000e+00 4.091e+00 -9.087e-01 pH = 6.274 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2165406 + Specific Conductance (µS/cm, 200°C) = 2165398 Density (g/cm³) = 1.13758 Volume (L) = 1.35221 Viscosity (mPa s) = 0.14070 @@ -2116,7 +2116,7 @@ Thenardite -0.00 -1.81 -1.81 4.000e+00 2.968e+00 -1.032e+00 pH = 6.149 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2311023 + Specific Conductance (µS/cm, 200°C) = 2311012 Density (g/cm³) = 1.15732 Volume (L) = 1.39478 Viscosity (mPa s) = 0.14112 @@ -2208,7 +2208,7 @@ Thenardite 0.00 -1.81 -1.81 2.968e+00 1.955e+00 -1.013e+00 pH = 6.143 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2317673 + Specific Conductance (µS/cm, 200°C) = 2317662 Density (g/cm³) = 1.15838 Volume (L) = 1.39740 Viscosity (mPa s) = 0.14115 @@ -2300,7 +2300,7 @@ Thenardite 0.00 -1.81 -1.81 1.955e+00 9.552e-01 -1.000e+00 pH = 6.143 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2317673 + Specific Conductance (µS/cm, 200°C) = 2317662 Density (g/cm³) = 1.15838 Volume (L) = 1.39740 Viscosity (mPa s) = 0.14115 @@ -2392,7 +2392,7 @@ Thenardite -0.01 -1.82 -1.81 9.552e-01 0 -9.552e-01 pH = 6.146 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2310990 + Specific Conductance (µS/cm, 200°C) = 2310979 Density (g/cm³) = 1.15666 Volume (L) = 1.39292 Viscosity (mPa s) = 0.14109 diff --git a/mytest/NaCl-SO4_101.sel b/mytest/NaCl-SO4_101.sel index 37f64b3d6..e51f632d1 100644 --- a/mytest/NaCl-SO4_101.sel +++ b/mytest/NaCl-SO4_101.sel @@ -1,28 +1,28 @@ Mu SC - 6.000999711767 237021.5711344883 - 2.863448453537 102393.9896211216 - 3.390758872720 158651.2656122500 - 4.257790950267 207827.6468387229 - 4.965927351374 241829.8246680673 - 5.519474251098 265808.9355147213 - 5.958155331752 283406.3439994600 - 6.312821457416 296786.1210994266 - 6.604983220203 307261.5718428966 - 6.849624724199 315663.4116864232 - 7.057375422480 322538.5897333586 - 7.235949161137 328260.1986234264 - 6.859333204250 329851.1239750061 - 6.102540185230 328556.6828256667 - 9.070560759378 1467232.2886540410 - 7.675709595529 1433280.8795880391 - 7.096033907429 1474531.6338885566 - 7.036677739427 1570790.7022064957 - 7.351873461778 1703858.9384829381 - 7.934136952067 1855513.1440010520 - 8.725452910733 2012228.8746415188 - 9.727163613104 2165406.2682226179 - 11.097277946611 2311023.3780339547 - 11.181742989211 2317673.7310333061 - 11.181742989756 2317673.7310104268 - 11.026347267079 2310990.6872136262 - 7.876143810100 2139386.7557667759 + 6.000999711767 237021.5711333256 + 2.863448453537 102393.9896204591 + 3.390758872720 158651.2649028724 + 4.257790950267 207827.6457308081 + 4.965927351374 241829.8233261111 + 5.519474251098 265808.9340172372 + 5.958155331752 283406.3423884223 + 6.312821457416 296786.1194000704 + 6.604983220203 307261.5700719003 + 6.849624724199 315663.4098556209 + 7.057375422480 322538.5878515958 + 7.235949161137 328260.1966975706 + 6.859333204250 329851.1222545182 + 6.102540185230 328556.6819344942 + 9.070560759378 1467232.2871350301 + 7.675709595529 1433279.7214075020 + 7.096033907429 1474529.4308361923 + 7.036677739427 1570787.5595570607 + 7.351873461778 1703854.9117551001 + 7.934136952067 1855508.1847266601 + 8.725452910733 2012222.7666034054 + 9.727163613104 2165398.4892739188 + 11.097277946611 2311012.5259258770 + 11.181742989211 2317662.6534362584 + 11.181742989756 2317662.6534133786 + 11.026347267079 2310979.9935906655 + 7.876143810100 2139386.2668614872 diff --git a/mytest/NaCl.out b/mytest/NaCl.out index 3a205581c..62538e719 100644 --- a/mytest/NaCl.out +++ b/mytest/NaCl.out @@ -1325,7 +1325,7 @@ Halite 0.00 1.33 1.33 2.000e+01 1.247e+01 -7.534e+00 pH = 5.121 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 1909022 + Specific Conductance (µS/cm, 175°C) = 1909021 Density (g/cm³) = 1.12986 Volume (L) = 1.27477 Viscosity (mPa s) = 0.16006 @@ -1526,7 +1526,7 @@ Halite 0.00 0.84 0.84 2.000e+01 1.115e+01 -8.854e+00 pH = 4.879 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 250°C) = 2540385 + Specific Conductance (µS/cm, 250°C) = 2540384 Density (g/cm³) = 1.06500 Volume (L) = 1.42484 Viscosity (mPa s) = 0.11146 (solute contributions limited to 200 °C) @@ -1593,7 +1593,7 @@ Halite 0.00 0.61 0.61 2.000e+01 1.022e+01 -9.778e+00 pH = 4.713 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 275°C) = 2631703 + Specific Conductance (µS/cm, 275°C) = 2631701 Density (g/cm³) = 1.01624 Volume (L) = 1.54632 Viscosity (mPa s) = 0.10098 (solute contributions limited to 200 °C) @@ -1660,7 +1660,7 @@ Halite -0.00 0.34 0.34 2.000e+01 7.911e+00 -1.209e+01 pH = 4.124 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 300°C) = 2134445 + Specific Conductance (µS/cm, 300°C) = 2134441 Density (g/cm³) = 0.85026 Volume (L) = 2.00707 Viscosity (mPa s) = 0.09191 (solute contributions limited to 200 °C) diff --git a/mytest/NaCl_101.sel b/mytest/NaCl_101.sel index 588290faa..4857f0591 100644 --- a/mytest/NaCl_101.sel +++ b/mytest/NaCl_101.sel @@ -1,26 +1,26 @@ Mu SC - 0.000000100645 0.0546913894 - 6.129235053262 225128.4888432798 - 6.110290261319 255760.4169173026 - 6.101172820673 291363.3967151001 - 6.102464461470 328556.6660869221 - 6.112322867170 367283.7368589945 - 6.129227619847 407488.6926855334 - 6.151921530142 449112.9995742653 - 6.210692196969 536362.1498249577 - 6.282279489783 628461.1589288937 - 6.362359444964 724756.6001380797 - 6.448055499954 824531.9981860011 - 6.492406177258 875490.5819829153 - 6.537541752264 927036.5473189970 - 6.629762812652 1031514.1428369792 - 6.724229047851 1137228.7364218831 - 6.821164086006 1243518.7182935374 - 6.970895170587 1402488.6929296039 - 7.237146933171 1661901.4140839658 - 7.534160730303 1909022.2308414616 - 7.877482698309 2140222.7492627455 - 8.294514256938 2353512.7989923600 - 8.853962195325 2540385.6948287808 - 9.777664656990 2631703.2573949541 - 12.089224230001 2134445.0750444159 + 0.000000100645 0.0546913895 + 6.129235053262 225128.4885281874 + 6.110290261319 255760.4164715387 + 6.101172820673 291363.3960733372 + 6.102464461470 328556.6651811772 + 6.112322867170 367283.7356034078 + 6.129227619847 407488.6909731325 + 6.151921530142 449112.9972734653 + 6.210692196969 536362.1458353254 + 6.282279489783 628461.1523324079 + 6.362359444964 724756.5896769646 + 6.448055499954 824531.9821981015 + 6.492406177258 875490.5624653794 + 6.537541752264 927036.5236779669 + 6.629762812652 1031514.1089010963 + 6.724229047851 1137228.6889945341 + 6.821164086006 1243518.6535922289 + 6.970895170587 1402488.5939369493 + 7.237146933171 1661901.2306790503 + 7.534160730303 1909021.9211018500 + 7.877482698309 2140222.2609805102 + 8.294514256938 2353512.0686906870 + 8.853962195325 2540384.6132168188 + 9.777664656990 2631701.5862336801 + 12.089224230001 2134441.9520443766 diff --git a/mytest/NaCl_temp.out b/mytest/NaCl_temp.out index 2b4735913..90be1b5b6 100644 --- a/mytest/NaCl_temp.out +++ b/mytest/NaCl_temp.out @@ -749,7 +749,7 @@ Halite 0.00 0.86 0.86 2.000e+01 1.093e+01 -9.071e+00 pH = 4.837 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 250°C) = 1246569 + Specific Conductance (µS/cm, 250°C) = 1246568 Density (g/cm³) = 1.06678 Volume (L) = 1.43436 Viscosity (mPa s) = 0.27115 (solute contributions limited to 200 °C) @@ -816,7 +816,7 @@ Halite 0.00 0.64 0.64 2.000e+01 1.000e+01 -9.996e+00 pH = 4.657 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 275°C) = 1212512 + Specific Conductance (µS/cm, 275°C) = 1212511 Density (g/cm³) = 1.01472 Volume (L) = 1.56123 Viscosity (mPa s) = 0.26272 (solute contributions limited to 200 °C) @@ -883,7 +883,7 @@ Halite -0.00 0.39 0.39 2.000e+01 7.869e+00 -1.213e+01 pH = 4.092 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 300°C) = 870526 + Specific Conductance (µS/cm, 300°C) = 870525 Density (g/cm³) = 0.84798 Volume (L) = 2.01532 Viscosity (mPa s) = 0.27713 (solute contributions limited to 200 °C) diff --git a/mytest/NaCl_temp_101.sel b/mytest/NaCl_temp_101.sel index b679c7b85..3d8d25a55 100644 --- a/mytest/NaCl_temp_101.sel +++ b/mytest/NaCl_temp_101.sel @@ -1,14 +1,14 @@ Mu SC - 0.000000100645 0.0546913894 - 6.162942748360 251003.5845086248 - 6.297580484280 375450.1451186266 - 6.462751315278 508145.1497441380 - 6.671603681297 644150.2304902822 - 6.929094689702 778468.3262451489 - 7.235677385195 906413.8870766864 - 7.591892002363 1023917.9468710436 - 8.000417746870 1127458.9390840943 - 8.475019161372 1202403.7512967195 - 9.071256330757 1246569.2966468602 - 9.996381139055 1212512.2432703816 - 12.130715586866 870526.2168117056 + 0.000000100645 0.0546913895 + 6.162942748360 251003.5837223854 + 6.297580484280 375450.1421651618 + 6.462751315278 508145.1411740378 + 6.671603681297 644150.2100745621 + 6.929094689702 778468.2845050746 + 7.235677385195 906413.8112822199 + 7.591892002363 1023917.8211516693 + 8.000417746870 1127458.7438416872 + 8.475019161372 1202403.4688874453 + 9.071256330757 1246568.8943176018 + 9.996381139055 1212511.6690549639 + 12.130715586866 870525.3821576261 diff --git a/mytest/NaKCl.out b/mytest/NaKCl.out index 46ff0d222..355570f75 100644 --- a/mytest/NaKCl.out +++ b/mytest/NaKCl.out @@ -10599,7 +10599,7 @@ Sylvite -0.25 1.08 1.33 0.000e+00 0 0.000e+00 pH = 5.566 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1196189 + Specific Conductance (µS/cm, 100°C) = 1196188 Density (g/cm³) = 1.21687 Volume (L) = 1.26293 Viscosity (mPa s) = 0.35395 @@ -10860,7 +10860,7 @@ Sylvite -0.60 0.73 1.33 0.000e+00 0 0.000e+00 pH = 5.550 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1171005 + Specific Conductance (µS/cm, 100°C) = 1171004 Density (g/cm³) = 1.19347 Volume (L) = 1.22586 Viscosity (mPa s) = 0.32043 @@ -11034,7 +11034,7 @@ Sylvite -5.83 -4.50 1.33 0.000e+00 0 0.000e+00 pH = 5.531 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1137229 + Specific Conductance (µS/cm, 100°C) = 1137228 Density (g/cm³) = 1.16968 Volume (L) = 1.19091 Viscosity (mPa s) = 0.28799 @@ -11408,7 +11408,7 @@ Sylvite 0.00 1.36 1.36 1.154e+01 1.134e+01 -2.052e-01 Specific Conductance (µS/cm, 150°C) = 1428889 Density (g/cm³) = 1.21333 Volume (L) = 1.39790 - Viscosity (mPa s) = 0.33512 + Viscosity (mPa s) = 0.33513 Activity of water = 0.693 Ionic strength (mol/kgw) = 9.662e+00 Mass of water (kg) = 1.000e+00 @@ -11757,7 +11757,7 @@ Sylvite 0.00 1.36 1.36 1.065e+01 1.039e+01 -2.567e-01 pH = 5.324 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1561249 + Specific Conductance (µS/cm, 150°C) = 1561248 Density (g/cm³) = 1.22892 Volume (L) = 1.41139 Viscosity (mPa s) = 0.31632 @@ -13693,7 +13693,7 @@ Sylvite -0.00 1.36 1.36 4.428e-01 0 -4.428e-01 pH = 5.186 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1648081 + Specific Conductance (µS/cm, 150°C) = 1648080 Density (g/cm³) = 1.23995 Volume (L) = 1.42262 Viscosity (mPa s) = 0.30553 @@ -14309,7 +14309,7 @@ Sylvite -0.43 0.93 1.36 0.000e+00 0 0.000e+00 pH = 5.216 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1662407 + Specific Conductance (µS/cm, 150°C) = 1662406 Density (g/cm³) = 1.19010 Volume (L) = 1.31881 Viscosity (mPa s) = 0.24176 @@ -14397,7 +14397,7 @@ Sylvite -0.52 0.84 1.36 0.000e+00 0 0.000e+00 pH = 5.218 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1663031 + Specific Conductance (µS/cm, 150°C) = 1663030 Density (g/cm³) = 1.18274 Volume (L) = 1.30537 Viscosity (mPa s) = 0.23274 @@ -15121,7 +15121,7 @@ Sylvite 0.00 1.25 1.25 9.787e+00 9.544e+00 -2.428e-01 pH = 5.286 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1647109 + Specific Conductance (µS/cm, 200°C) = 1647108 Density (g/cm³) = 1.18200 Volume (L) = 1.54814 Viscosity (mPa s) = 0.28454 @@ -17321,7 +17321,7 @@ Sylvite -0.10 1.14 1.25 0.000e+00 0 0.000e+00 pH = 4.848 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1930435 + Specific Conductance (µS/cm, 200°C) = 1930434 Density (g/cm³) = 1.19088 Volume (L) = 1.54668 Viscosity (mPa s) = 0.24197 @@ -17497,7 +17497,7 @@ Sylvite -0.19 1.06 1.25 0.000e+00 0 0.000e+00 pH = 4.888 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1960421 + Specific Conductance (µS/cm, 200°C) = 1960420 Density (g/cm³) = 1.18134 Volume (L) = 1.50641 Viscosity (mPa s) = 0.22728 @@ -17585,7 +17585,7 @@ Sylvite -0.23 1.02 1.25 0.000e+00 0 0.000e+00 pH = 4.906 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1975118 + Specific Conductance (µS/cm, 200°C) = 1975117 Density (g/cm³) = 1.17633 Volume (L) = 1.48730 Viscosity (mPa s) = 0.21994 @@ -17761,7 +17761,7 @@ Sylvite -0.34 0.91 1.25 0.000e+00 0 0.000e+00 pH = 4.936 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2004082 + Specific Conductance (µS/cm, 200°C) = 2004081 Density (g/cm³) = 1.16587 Volume (L) = 1.45097 Viscosity (mPa s) = 0.20528 @@ -17937,7 +17937,7 @@ Sylvite -0.47 0.78 1.25 0.000e+00 0 0.000e+00 pH = 4.963 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2032772 + Specific Conductance (µS/cm, 200°C) = 2032771 Density (g/cm³) = 1.15483 Volume (L) = 1.41692 Viscosity (mPa s) = 0.19064 @@ -18201,7 +18201,7 @@ Sylvite -0.75 0.50 1.25 0.000e+00 0 0.000e+00 pH = 4.998 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2076378 + Specific Conductance (µS/cm, 200°C) = 2076377 Density (g/cm³) = 1.13730 Volume (L) = 1.36966 Viscosity (mPa s) = 0.16874 @@ -18289,7 +18289,7 @@ Sylvite -0.89 0.36 1.25 0.000e+00 0 0.000e+00 pH = 5.008 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2091452 + Specific Conductance (µS/cm, 200°C) = 2091451 Density (g/cm³) = 1.13121 Volume (L) = 1.35485 Viscosity (mPa s) = 0.16145 @@ -18377,7 +18377,7 @@ Sylvite -1.08 0.17 1.25 0.000e+00 0 0.000e+00 pH = 5.018 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2107003 + Specific Conductance (µS/cm, 200°C) = 2107002 Density (g/cm³) = 1.12501 Volume (L) = 1.34047 Viscosity (mPa s) = 0.15417 @@ -18465,7 +18465,7 @@ Sylvite -6.10 -4.85 1.25 0.000e+00 0 0.000e+00 pH = 5.038 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2140222 + Specific Conductance (µS/cm, 200°C) = 2140221 Density (g/cm³) = 1.11229 Volume (L) = 1.31295 Viscosity (mPa s) = 0.13962 diff --git a/mytest/NaKCl_101.sel b/mytest/NaKCl_101.sel index 4755c4f4a..dfc9b72e9 100644 --- a/mytest/NaKCl_101.sel +++ b/mytest/NaKCl_101.sel @@ -1,212 +1,212 @@ Mu SC - 11.000000008185 276091.5205663878 - 3.592443773887 187619.6252159035 - 3.817220344417 192358.8552430086 - 4.053783997098 197361.8124490429 - 4.302249334593 202618.2166715800 - 4.562721387768 208116.2315433274 - 4.835294538145 213842.5152846521 - 5.120048898401 219782.1831425355 - 5.417044693908 225918.6972853396 - 5.726314924280 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212223.4153241643 + 2.600000105859 246347.9378925785 + 3.040000098223 277864.2587829902 + 3.480000090873 306838.3325777294 + 3.920000083867 333339.3986079063 + 4.360000077228 357443.5614616200 + 4.800000070961 379234.8695762826 + 5.240000065057 398805.0956521243 diff --git a/mytest/NaK_ClBr_101.sel b/mytest/NaK_ClBr_101.sel index ec841dd3a..578ff6c01 100644 --- a/mytest/NaK_ClBr_101.sel +++ b/mytest/NaK_ClBr_101.sel @@ -1,66 +1,66 @@ Mu SC - 0.100000128024 10609.0353016630 - 0.250000136395 24765.3544873443 - 0.500000141109 46282.9100537492 - 1.000000141808 84318.7560184547 - 2.000000136126 145262.4561958501 - 4.000000125888 219798.2427587104 - 0.100000127126 12896.6145154628 - 0.250000134119 30536.4585545145 - 0.500000136535 58097.3303019148 - 1.000000132598 109123.6030872088 - 2.000000117225 199154.3669359934 - 4.000000086796 337897.9005298013 - 0.100000127716 11376.1481017444 - 0.250000135588 26715.8366451206 - 0.500000139424 50324.6430829060 - 1.000000138239 92990.8068958274 - 2.000000128377 164728.3411336405 - 4.000000109328 263597.1660028627 - 0.100000127565 11757.8060876396 - 0.250000135203 27680.5183826790 - 0.500000138643 52305.3133904151 - 1.000000136636 97172.0754866594 - 2.000000125005 173903.2668893164 - 4.000000102113 284005.1558970698 - 0.100000127417 12138.3583906742 - 0.250000134830 28638.6285572516 - 0.500000137901 54260.4202505803 - 1.000000135159 101253.2132697504 - 2.000000122004 182701.0907015296 - 4.000000095823 303269.7808975038 - 0.100000127506 10844.1593080819 - 0.250000135427 25388.3555913484 - 0.500000139978 47591.9788044451 - 1.000000141879 87112.7803870489 - 2.000000142970 151405.8327368397 - 3.000000148767 199135.7803526499 - 4.000000161304 232844.4617069688 - 0.100000126591 13109.5198410011 - 0.250000133050 31032.1942901578 - 0.500000135035 58940.0461988080 - 1.000000131298 110273.1201201364 - 2.000000118674 199997.6750975572 - 3.000000107002 275189.4332690253 - 4.000000097731 337250.7456131452 - 0.100000127192 11603.5203693995 - 0.250000134587 27294.4677920161 - 0.500000138172 51471.3592946646 - 1.000000137849 95215.2325122738 - 2.000000133388 169069.6552508336 - 3.000000132236 227470.6642432056 - 4.000000136454 272201.8271739170 - 0.100000127038 11981.4344892461 - 0.250000134185 28237.7079593806 - 0.500000137329 53373.4574943838 - 1.000000136016 99119.3205486271 - 2.000000129102 177350.9201013847 - 3.000000124784 240559.7375765108 - 4.000000125050 290312.1759901240 - 0.100000126887 12358.3286611095 - 0.250000133795 29174.8599348044 - 0.500000136526 55251.7111696369 - 1.000000134310 102928.7221748128 - 2.000000125196 185265.0642769264 - 3.000000118011 252891.5884844039 - 4.000000114597 307251.1128968957 + 0.100000128024 10609.0352745713 + 0.250000136395 24765.3543835137 + 0.500000141109 46282.9097733437 + 1.000000141808 84318.7552946531 + 2.000000136126 145262.4545237504 + 4.000000125888 219798.2398047010 + 0.100000127126 12896.6144967051 + 0.250000134119 30536.4584799030 + 0.500000136535 58097.3300979801 + 1.000000132598 109123.6025588222 + 2.000000117225 199154.3657102855 + 4.000000086796 337897.8983470034 + 0.100000127716 11376.1480776013 + 0.250000135588 26715.8365515227 + 0.500000139424 50324.6428289567 + 1.000000138239 92990.8062370762 + 2.000000128377 164728.3395904304 + 4.000000109328 263597.1631645818 + 0.100000127565 11757.8060649055 + 0.250000135203 27680.5182940083 + 0.500000138643 52305.3131493351 + 1.000000136636 97172.0748606236 + 2.000000125005 173903.2654193199 + 4.000000102113 284005.1531735486 + 0.100000127417 12138.3583693067 + 0.250000134830 28638.6284733858 + 0.500000137901 54260.4200221273 + 1.000000135159 101253.2126764138 + 2.000000122004 182701.0893094853 + 4.000000095823 303269.7783248637 + 0.100000127506 10844.1592872761 + 0.250000135427 25388.3555097243 + 0.500000139978 47591.9785779187 + 1.000000141879 87112.7797726129 + 2.000000142970 151405.8311595475 + 3.000000148767 199135.7777504354 + 4.000000161304 232844.4581106783 + 0.100000126591 13109.5198274374 + 0.250000133050 31032.1942346153 + 0.500000135035 58940.0460431065 + 1.000000131298 110273.1197003506 + 2.000000118674 199997.6740397612 + 3.000000107002 275189.4315535579 + 4.000000097731 337250.7432911451 + 0.100000127192 11603.5203511786 + 0.250000134587 27294.4677195977 + 0.500000138172 51471.3590928904 + 1.000000137849 95215.2319638983 + 2.000000133388 169069.6538314824 + 3.000000132236 227470.6618649249 + 4.000000136454 272201.8238198181 + 0.100000127038 11981.4344722522 + 0.250000134185 28237.7078913681 + 0.500000137329 53373.4573045557 + 1.000000136016 99119.3200329828 + 2.000000129102 177350.9187682811 + 3.000000124784 240559.7353416003 + 4.000000125050 290312.1728325072 + 0.100000126887 12358.3286453001 + 0.250000133795 29174.8598710711 + 0.500000136526 55251.7109914689 + 1.000000134310 102928.7216915703 + 2.000000125196 185265.0630335743 + 3.000000118011 252891.5864103647 + 4.000000114597 307251.1099823783 diff --git a/mytest/NaK_ClSO4.out b/mytest/NaK_ClSO4.out index ab0cb8828..2f6b27508 100644 --- a/mytest/NaK_ClSO4.out +++ b/mytest/NaK_ClSO4.out @@ -382,7 +382,7 @@ Initial solution 5. Specific Conductance (µS/cm, 25°C) = 16362 Density (g/cm³) = 1.00736 Volume (L) = 1.00537 - Viscosity (mPa s) = 0.91106 + Viscosity (mPa s) = 0.91107 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.374e-01 Mass of water (kg) = 1.000e+00 @@ -719,10 +719,10 @@ Initial solution 10. pH = 9.828 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 31478 + Specific Conductance (µS/cm, 25°C) = 31477 Density (g/cm³) = 1.01771 Volume (L) = 1.00882 - Viscosity (mPa s) = 0.91952 + Viscosity (mPa s) = 0.91953 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.706e-01 Mass of water (kg) = 1.000e+00 @@ -790,7 +790,7 @@ Initial solution 11. Specific Conductance (µS/cm, 25°C) = 42137 Density (g/cm³) = 1.02275 Volume (L) = 1.01153 - Viscosity (mPa s) = 0.92316 + Viscosity (mPa s) = 0.92317 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.928e-01 Mass of water (kg) = 1.000e+00 @@ -1127,10 +1127,10 @@ Initial solution 16. pH = 9.816 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 44483 + Specific Conductance (µS/cm, 25°C) = 44482 Density (g/cm³) = 1.02743 Volume (L) = 1.01190 - Viscosity (mPa s) = 0.93313 + Viscosity (mPa s) = 0.93314 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.993e-01 Mass of water (kg) = 1.000e+00 @@ -1334,7 +1334,7 @@ Initial solution 19. Specific Conductance (µS/cm, 25°C) = 51287 Density (g/cm³) = 1.02995 Volume (L) = 1.01350 - Viscosity (mPa s) = 0.94287 + Viscosity (mPa s) = 0.94288 Activity of water = 0.985 Ionic strength (mol/kgw) = 7.766e-01 Mass of water (kg) = 1.000e+00 diff --git a/mytest/NaK_ClSO4_101.sel b/mytest/NaK_ClSO4_101.sel index 2707865e2..994a4a72a 100644 --- a/mytest/NaK_ClSO4_101.sel +++ b/mytest/NaK_ClSO4_101.sel @@ -1,37 +1,37 @@ Mu SC Viscosity 0.204598606676 16518.0943969155 0.9024304267 - 0.204199997536 16227.6246012388 0.9036221122 + 0.204199997536 16227.6244977892 0.9036221207 0.205798037821 15965.5914383087 0.9052754450 - 0.238599966281 17406.7448321205 0.9058679347 - 0.237399999963 16362.3294113560 0.9110634778 + 0.238599966281 17406.7446892953 0.9058679462 + 0.237399999963 16362.2034960111 0.9110732021 0.268777132920 17415.4669912837 0.9137253687 0.400583501675 29868.7774004009 0.9128477467 - 0.399999961439 29288.1715944333 0.9152779171 - 0.399699999909 28733.8598702049 0.9177378877 - 0.470599999796 31478.0459201676 0.9195242343 - 0.592799999840 42137.3005792469 0.9231593565 + 0.399999961439 29288.1713103795 0.9152779306 + 0.399699999909 28733.7421656353 0.9177433984 + 0.470599999796 31477.9024769392 0.9195308403 + 0.592799999840 42137.1121938133 0.9231658665 0.591276086759 41251.4154741085 0.9266984640 - 0.469599924908 29355.2750387868 0.9299229089 - 0.589899939174 40352.0992392698 0.9302825862 - 0.534999897104 31395.2676313177 0.9350431885 - 0.699299999696 44483.0468712687 0.9331273034 - 0.780799920333 53683.6141332698 0.9334322726 - 0.778899921289 52483.0751685698 0.9381763986 - 0.776599999789 51287.9876317572 0.9428682341 - 0.698699898552 41297.2029231667 0.9487008818 + 0.469599924908 29355.2746249281 0.9299229274 + 0.589899939174 40352.0987312556 0.9302826035 + 0.534999897104 31395.2670961766 0.9350432121 + 0.699299999696 44482.8117984067 0.9331351546 + 0.780799920333 53683.6133898145 0.9334322931 + 0.778899921289 52483.0744205123 0.9381764191 + 0.776599999789 51287.7183344578 0.9428755837 + 0.698699898552 41297.2021904065 0.9487009057 0.924560164816 56836.3434691999 0.9468444814 - 0.963999906582 64677.8160883294 0.9436355279 - 0.960999907870 63130.4473782220 0.9495096647 - 0.799958890428 44393.5607202285 0.9565730016 - 0.958999908878 61598.5672487674 0.9555463470 - 1.145299894457 75256.9448141880 0.9540463995 - 1.141899895944 73382.6008496607 0.9611106764 - 1.147099859020 68691.7430358608 0.9608089395 - 0.925799879082 52607.4100248611 0.9677617006 - 1.137399897648 71461.0625506573 0.9681853127 - 1.064199845380 56800.7449895591 0.9787065708 - 1.364299844828 80088.7619756293 0.9746621032 - 1.149499863508 63349.5462091321 0.9871239666 - 1.326799827148 68729.7628161558 1.0013886808 - 1.369699850365 73651.3257578488 1.0065337464 - 1.587899811149 80216.1158916753 1.0247101381 + 0.963999906582 64677.8150869082 0.9436355511 + 0.960999907870 63130.4463742064 0.9495096880 + 0.799958890428 44393.5607171418 0.9565730017 + 0.958999908878 61598.5662402870 0.9555463703 + 1.145299894457 75256.9435417046 0.9540464252 + 1.141899895944 73382.5995765321 0.9611107021 + 1.147099859020 68691.7415982388 0.9608089718 + 0.925799879082 52607.4089381380 0.9677617291 + 1.137399897648 71461.0612795168 0.9681853384 + 1.064199845380 56800.7435632771 0.9787066076 + 1.364299844828 80088.7601501054 0.9746621389 + 1.149499863508 63349.5447501742 0.9871239991 + 1.326799827148 68729.7608888849 1.0013887230 + 1.369699850365 73651.3239200913 1.0065337824 + 1.587899811149 80216.1134483721 1.0247101850 diff --git a/mytest/NaK_Mg_ClSO4.out b/mytest/NaK_Mg_ClSO4.out index 38fbe9983..5c7f8a491 100644 --- a/mytest/NaK_Mg_ClSO4.out +++ b/mytest/NaK_Mg_ClSO4.out @@ -3923,7 +3923,7 @@ Initial solution 5. pH = 5.783 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 340846 + Specific Conductance (µS/cm, 150°C) = 340845 Density (g/cm³) = 0.97084 Volume (L) = 1.10857 Viscosity (mPa s) = 0.22012 @@ -4151,7 +4151,7 @@ Initial solution 8. pH = 5.785 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 320850 + Specific Conductance (µS/cm, 150°C) = 320849 Density (g/cm³) = 0.96945 Volume (L) = 1.10512 Viscosity (mPa s) = 0.22049 @@ -6451,7 +6451,7 @@ Initial solution 7. pH = 6.415 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 142062 + Specific Conductance (µS/cm, 100°C) = 142061 Density (g/cm³) = 0.98569 Volume (L) = 1.05487 Viscosity (mPa s) = 0.30743 @@ -6789,7 +6789,7 @@ Initial solution 3. pH = 6.067 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 125°C) = 597077 + Specific Conductance (µS/cm, 125°C) = 597076 Density (g/cm³) = 1.06367 Volume (L) = 1.13433 Viscosity (mPa s) = 0.33869 @@ -7161,7 +7161,7 @@ Initial solution 9. pH = 6.391 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 125°C) = 573964 + Specific Conductance (µS/cm, 125°C) = 573963 Density (g/cm³) = 1.06474 Volume (L) = 1.12698 Viscosity (mPa s) = 0.33736 @@ -7317,7 +7317,7 @@ Initial solution 2. pH = 6.069 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 367869 + Specific Conductance (µS/cm, 150°C) = 367868 Density (g/cm³) = 0.97308 Volume (L) = 1.11347 Viscosity (mPa s) = 0.21980 @@ -7565,7 +7565,7 @@ Initial solution 6. pH = 6.192 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 686463 + Specific Conductance (µS/cm, 150°C) = 686462 Density (g/cm³) = 1.04554 Volume (L) = 1.15420 Viscosity (mPa s) = 0.28018 @@ -7751,7 +7751,7 @@ Initial solution 9. pH = 6.382 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 150°C) = 677598 + Specific Conductance (µS/cm, 150°C) = 677597 Density (g/cm³) = 1.04584 Volume (L) = 1.14926 Viscosity (mPa s) = 0.27917 @@ -10584,7 +10584,7 @@ Initial solution 9. pH = 5.747 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 125°C) = 663403 + Specific Conductance (µS/cm, 125°C) = 663402 Density (g/cm³) = 1.06854 Volume (L) = 1.14833 Viscosity (mPa s) = 0.32410 diff --git a/mytest/NaK_Mg_ClSO4_101.sel b/mytest/NaK_Mg_ClSO4_101.sel index 465a8b208..c294a22be 100644 --- a/mytest/NaK_Mg_ClSO4_101.sel +++ b/mytest/NaK_Mg_ClSO4_101.sel @@ -1,163 +1,163 @@ Mu SC Viscosity - 0.707800019759 58125.1990150143 0.9512493634 - 1.415599935645 103379.8702719598 1.0197553952 - 3.539199546020 192894.2418715788 1.2901335420 - 0.707799900325 53540.8691167334 0.9556156122 - 1.415699747187 95023.0228674295 1.0270717286 - 3.539199087003 178431.7291606461 1.3002591012 - 0.707699755090 48151.1489799586 0.9615451102 - 1.415399520844 85168.8631045787 1.0372373352 - 3.538898597082 161049.1475853719 1.3163950699 - 0.707799981386 75668.7008378408 0.7018930634 - 1.415599804447 133900.2670566379 0.7554356125 - 3.539198982306 248594.4179395283 0.9582599889 - 0.707799722436 69908.7567539843 0.7044506291 - 1.415699393238 123465.9026288395 0.7596067595 - 3.539197973383 230871.4141403654 0.9632672877 - 0.707699408891 63103.4017332434 0.7079879214 - 1.415398901876 111100.6520054203 0.7655470567 - 3.538896912216 209451.5619992600 0.9719563686 - 0.708999343965 118053.5897624238 0.4102335662 - 1.418498509431 207691.3081132131 0.4444886237 - 3.545394785426 384766.5464784265 0.5655999066 - 0.709298041697 109791.0793639156 0.4111158090 - 1.418296468318 192881.0627504132 0.4457600369 - 3.545689948727 360552.4548154463 0.5663679371 - 0.708996507698 99884.4361075956 0.4123822774 - 1.418494076971 175148.8630915679 0.4478049201 - 3.545385029558 330890.4912862968 0.5685903393 - 0.711197450570 147635.7273431206 0.3078120925 - 1.422595280252 259737.3348911494 0.3345849128 - 3.555285993273 483142.5513908659 0.4260704683 - 0.711393917187 138063.1606858824 0.3082573838 - 1.422389816321 242883.5430102838 0.3351572430 - 3.555473672041 456657.4860417289 0.4259702122 - 0.711189842621 126449.9683318992 0.3089486510 - 1.422483582570 222482.3878202642 0.3362039694 - 3.555261459996 423759.6830104686 0.4267516037 - 0.715092428026 175466.1735147874 0.2439301974 - 1.430687326611 309645.4388212989 0.2658301122 - 3.574166726683 579583.1780482284 0.3386274267 - 0.715383831216 165298.1885106892 0.2441772513 - 1.430374304179 292330.4730165944 0.2660830696 - 3.574538948493 554036.4576132403 0.3382187737 - 0.714974269592 152721.8628674049 0.2445847371 - 1.430359970880 271052.2925255339 0.2666604822 - 3.574712296723 521533.6687735157 0.3384014433 - 0.721880995657 201184.5220612747 0.2014139898 - 1.445270048644 356833.5713206285 0.2200172503 - 3.609128464786 671967.5819050866 0.2804534508 - 0.722462075310 191378.0871672394 0.2015765687 - 1.444642047961 340846.0264119025 0.2201207709 - 3.609972135407 650372.6728730961 0.2799468442 - 0.722241982161 178891.6347841976 0.2018613508 - 1.445112630146 320850.0076883701 0.2204910355 - 3.609820447871 621625.2811290814 0.2798396974 - 0.707000113503 60919.1343754955 0.9480037679 - 1.413600097336 108477.0505016869 1.0144601708 - 3.534500042234 201655.7450687205 1.2843361900 - 0.707000090820 59140.1239044818 0.9488318052 - 1.413700069213 105251.7376613532 1.0159371202 - 3.534400007319 196194.6389979656 1.2871945424 - 0.706800045727 55023.8732037409 0.9510648616 - 1.413600016231 97783.7034739865 1.0199864363 - 3.534199948967 183413.0263003422 1.2955890613 - 0.707000178584 79182.3947543498 0.6999388675 - 1.413600145157 140254.0416041312 0.7523151285 - 3.534500040210 259344.1456238154 0.9553363984 - 0.707000126883 76970.6231735220 0.7003526423 - 1.413700081204 136254.7988267626 0.7530184748 - 3.534399962973 252735.4693644658 0.9564791108 - 0.706800028730 71833.8486966143 0.7015129796 - 1.413599966472 126967.6481512143 0.7550478930 - 3.534199838053 237222.4722812616 0.9602529942 - 0.708300309543 123139.4199419856 0.4095192501 - 1.416400174477 216725.9723977949 0.4433999180 - 3.540699836992 399662.5023607598 0.5650640471 - 0.708300056502 120065.0234991491 0.4095768076 - 1.416499877141 211222.7284901145 0.4434518906 - 3.540999510327 391091.6453057912 0.5648873594 - 0.708099626046 112826.5894475009 0.4098021194 - 1.416299390975 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3.606293345769 686462.6033596356 0.2801771212 + 0.721491894373 198312.3640530687 0.2011726214 + 1.442690560781 354333.2337754276 0.2194640207 + 3.605789106740 677597.7623704476 0.2791739543 + 0.706900139124 64519.1292846081 0.9408194920 + 1.413800130809 115740.4542026811 0.9989490618 + 3.534500092811 218979.8974415745 1.2359882274 + 0.706900138709 66288.0972144261 0.9345301253 + 1.413800130260 119627.7487740328 0.9852022186 + 3.534500092582 230469.1623600262 1.1926074576 + 0.706900138212 68385.2973934426 0.9271313863 + 1.413800129602 124196.9017838092 0.9692649100 + 3.534500092299 243860.2709950070 1.1435962907 + 0.756900239821 88499.3195704694 0.6990529404 + 1.413800226716 149018.5097250892 0.7429426088 + 3.534500162984 279710.5770957497 0.9255636828 + 0.706900239684 85682.1996065852 0.6917663185 + 1.413800226074 153609.1605849162 0.7344172314 + 3.534500162886 293023.5769046064 0.8980889685 + 0.706900239056 88191.2975747525 0.6872152799 + 1.413800225304 159008.3271922227 0.7245052629 + 3.534500162753 308523.3115596382 0.8668438873 + 0.708300664205 129029.1875190058 0.4079079399 + 1.416600633075 228309.3509082700 0.4398346258 + 3.541000467947 425298.5096657843 0.5533095424 + 0.708300663977 131777.2772881139 0.4063538569 + 1.416600633292 234161.1271905294 0.4363534532 + 3.541200469745 441807.7000842816 0.5416992844 + 0.708300663701 135039.0122060327 0.4045188862 + 1.416500633550 241047.3208685260 0.4322775760 + 3.541000471905 460978.7759071959 0.5283295747 + 0.710301158729 160114.5276054092 0.3064942310 + 1.420801113801 282801.4518728009 0.3319775210 + 3.550800839667 527040.3639673912 0.4191413917 + 0.710401159834 163171.0834355554 0.3055590666 + 1.420801116687 289239.0555022641 0.3298624858 + 3.551000845634 544975.4766354357 0.4120143460 + 0.710301161155 166757.8782466886 0.3044458605 + 1.420601120166 296794.7976689824 0.3273779401 + 3.550700852857 565791.0615674023 0.4037553615 + 0.714301813431 188605.0009233009 0.2431142179 + 1.429101760304 333231.3324804116 0.2642337062 + 3.570001354261 622876.0755146189 0.3343961801 + 0.714401817518 191830.4313730980 0.2424907021 + 1.428901768871 339977.1444144820 0.2628166864 + 3.570401368352 641664.7136434675 0.3296477870 + 0.714401822419 195634.6824208773 0.2417489894 + 1.428601779190 347920.5955978444 0.2611511232 + 3.569801385568 663402.9742543926 0.3241043438 + 0.721702595876 214007.6644456971 0.2008678304 + 1.444002548297 378790.5157083333 0.2189516541 + 3.605402002372 711121.3716604547 0.2776848678 + 0.721802605156 217296.9147214621 0.2004152922 + 1.443702566586 385663.5641749799 0.2179236013 + 3.606002029952 730291.8711063180 0.2742904772 + 0.721902616322 221201.5937061399 0.1998779652 + 1.443102588690 393711.1269188372 0.2167091945 + 3.604802063939 752361.6931164535 0.2702875880 diff --git a/mytest/NaMgCl.out b/mytest/NaMgCl.out index ce400aa4e..30ac9b379 100644 --- a/mytest/NaMgCl.out +++ b/mytest/NaMgCl.out @@ -2072,7 +2072,7 @@ MgCl2_2H2O Element not present. 0.000e+00 0 0.000e+00 pH = 5.038 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2139080 + Specific Conductance (µS/cm, 200°C) = 2139079 Density (g/cm³) = 1.11251 Volume (L) = 1.31259 Viscosity (mPa s) = 0.13973 diff --git a/mytest/NaMgCl_101.sel b/mytest/NaMgCl_101.sel index d2fcfa061..8a5a88dab 100644 --- a/mytest/NaMgCl_101.sel +++ b/mytest/NaMgCl_101.sel @@ -1,40 +1,40 @@ Mu SC 0.000000033952 0.0114689826 - 6.132053766901 221809.7743580643 - 7.211174982329 167811.9296933587 - 8.501965196353 126388.1118968260 - 10.204218652649 95631.1376794600 + 6.132053766901 221809.7740655612 + 7.211174982329 167811.9296792625 + 8.501965196353 126388.1118882147 + 10.204218652649 95631.1376752819 12.455539102725 72759.5536051034 15.143439694349 55250.9443435467 16.695864293917 47571.1168614423 16.695864288280 47571.1168819526 16.695864287490 47571.1168890349 16.695864280403 47571.1169525416 - 0.000000760968 0.7572688502 - 6.724229046556 1137228.7363405430 - 7.952326456055 903961.2734187314 - 9.348230013987 711674.7715178778 - 11.013841544369 558702.3286080032 - 13.054688253044 437946.7731160739 - 15.491147436911 342964.7422134306 - 18.216567647740 268736.8351145211 - 21.095783700730 211606.3206781818 - 23.123582540603 180382.8152662523 - 23.123582497234 180382.8161448454 - 0.000002215556 2.5565477940 - 7.875619321683 2139080.4203827619 - 9.095375951433 1740982.9781457523 - 10.487949869976 1417068.7667752688 - 12.108542948893 1156503.1959997970 - 14.012745019509 942326.1831651209 - 16.228545753250 763736.7387977923 - 18.726508695873 614993.9527093985 - 21.431190448782 493209.5442241068 - 24.264208946716 395671.0413173864 - 27.169962103874 318791.8266982077 - 30.115758423279 258622.1029067724 - 33.083807828867 211531.4544968898 - 36.064620425584 174518.4034459277 - 39.053115460279 145234.7312540945 - 42.046566616353 121891.2416191718 - 42.110577540964 121446.6401925539 + 0.000000760968 0.7572688296 + 6.724229046556 1137228.6889680577 + 7.952326456055 903961.2710908446 + 9.348230013987 711674.7698778309 + 11.013841544369 558702.3275486103 + 13.054688253044 437946.7725703702 + 15.491147436911 342964.7419914398 + 18.216567647740 268736.8350359875 + 21.095783700730 211606.3206512408 + 23.123582540603 180382.8152531646 + 23.123582497234 180382.8161317578 + 0.000002215556 2.5565438291 + 7.875619321683 2139079.9324312462 + 9.095375951433 1740982.9575481634 + 10.487949869976 1417068.7488987378 + 12.108542948893 1156503.1808750448 + 14.012745019509 942326.1720089588 + 16.228545753250 763736.7317894478 + 18.726508695873 614993.9488277886 + 21.431190448782 493209.5422047078 + 24.264208946716 395671.0402739326 + 27.169962103874 318791.8261440617 + 30.115758423279 258622.1025990071 + 33.083807828867 211531.4543166605 + 36.064620425584 174518.4033342110 + 39.053115460279 145234.7311806767 + 42.046566616353 121891.2415680478 + 42.110577540964 121446.6401417929 diff --git a/mytest/NaNH4K_ClBrSO4.out b/mytest/NaNH4K_ClBrSO4.out index 639530b4e..c26005176 100644 --- a/mytest/NaNH4K_ClBrSO4.out +++ b/mytest/NaNH4K_ClBrSO4.out @@ -124,7 +124,7 @@ Initial solution 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.556e-17 + Total alkalinity (eq/kg) = -9.782e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 9.988e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -149,7 +149,6 @@ K 5.000e-01 K+ 5.000e-01 2.997e-01 -0.301 -0.523 -0.222 9.84 Na 5.000e-01 Na+ 5.000e-01 3.656e-01 -0.301 -0.437 -0.136 -0.31 - NaOH 2.608e-18 3.283e-18 -17.584 -17.484 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.358 -42.258 0.100 30.40 @@ -187,7 +186,7 @@ Initial solution 2. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.681e-13 + Total alkalinity (eq/kg) = -4.679e-13 Temperature (°C) = 25.00 Electrical balance (eq) = 8.613e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -212,7 +211,6 @@ K 1.000e+00 K+ 1.000e+00 5.693e-01 0.000 -0.245 -0.245 10.33 Na 1.000e+00 Na+ 1.000e+00 8.220e-01 0.000 -0.085 -0.085 0.14 - NaOH 4.398e-18 6.970e-18 -17.357 -17.157 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.526 -42.326 0.200 30.40 @@ -275,7 +273,6 @@ K 1.500e+00 K+ 1.500e+00 8.429e-01 0.176 -0.074 -0.250 10.80 Na 1.500e+00 Na+ 1.500e+00 1.433e+00 0.176 0.156 -0.020 0.48 - NaOH 5.818e-18 1.161e-17 -17.235 -16.935 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.673 -42.373 0.300 30.40 @@ -313,9 +310,9 @@ Initial solution 4. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.191e-17 + Total alkalinity (eq/kg) = -2.913e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.929e-16 + Electrical balance (eq) = 8.930e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (14 overall) Total H = 1.110124e+02 @@ -338,7 +335,6 @@ K 2.000e+00 K+ 2.000e+00 1.127e+00 0.301 0.052 -0.249 11.24 Na 2.000e+00 Na+ 2.000e+00 2.248e+00 0.301 0.352 0.051 0.77 - NaOH 6.989e-18 1.756e-17 -17.156 -16.756 0.400 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.804 -42.404 0.400 30.40 @@ -376,7 +372,7 @@ Initial solution 5. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.916e-16 + Total alkalinity (eq/kg) = -9.999e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.548e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -401,7 +397,6 @@ K 2.500e+00 K+ 2.500e+00 1.424e+00 0.398 0.154 -0.244 11.69 Na 2.500e+00 Na+ 2.500e+00 3.331e+00 0.398 0.523 0.125 1.02 - NaOH 7.965e-18 2.519e-17 -17.099 -16.599 0.500 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.925 -42.425 0.500 30.40 @@ -464,7 +459,6 @@ K 2.500e+00 K+ 2.500e+00 1.405e+00 0.398 0.148 -0.250 10.80 Na 5.000e-01 Na+ 5.000e-01 4.775e-01 -0.301 -0.321 -0.020 0.48 - NaOH 1.939e-18 3.869e-18 -17.712 -17.412 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.673 -42.373 0.300 30.40 @@ -503,7 +497,7 @@ Initial solution 7. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.805e-18 + Total alkalinity (eq/kg) = 1.140e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.032e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -530,7 +524,6 @@ K 5.000e-01 K+ 5.000e-01 2.997e-01 -0.301 -0.523 -0.222 9.84 Na 5.000e-01 Na+ 5.000e-01 3.656e-01 -0.301 -0.437 -0.136 -0.31 - NaOH 2.572e-18 3.238e-18 -17.590 -17.490 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.382 -42.282 0.100 30.40 @@ -596,7 +589,6 @@ K 1.000e+00 K+ 1.000e+00 5.693e-01 0.000 -0.245 -0.245 10.33 Na 1.000e+00 Na+ 1.000e+00 8.220e-01 0.000 -0.085 -0.085 0.14 - NaOH 4.354e-18 6.901e-18 -17.361 -17.161 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.544 -42.344 0.200 30.40 @@ -662,7 +654,6 @@ K 1.500e+00 K+ 1.500e+00 8.429e-01 0.176 -0.074 -0.250 10.80 Na 1.500e+00 Na+ 1.500e+00 1.433e+00 0.176 0.156 -0.020 0.48 - NaOH 5.785e-18 1.154e-17 -17.238 -16.938 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.683 -42.383 0.300 30.40 @@ -701,7 +692,7 @@ Initial solution 10. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.148e-16 + Total alkalinity (eq/kg) = -5.220e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 2.678e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -728,7 +719,6 @@ K 2.000e+00 K+ 2.000e+00 1.127e+00 0.301 0.052 -0.249 11.24 Na 2.000e+00 Na+ 2.000e+00 2.248e+00 0.301 0.352 0.051 0.77 - NaOH 6.969e-18 1.751e-17 -17.157 -16.757 0.400 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.809 -42.409 0.400 30.40 @@ -794,7 +784,6 @@ K 5.000e-01 K+ 5.000e-01 2.810e-01 -0.301 -0.551 -0.250 10.80 Na 2.500e+00 Na+ 2.500e+00 2.388e+00 0.398 0.378 -0.020 0.48 - NaOH 9.678e-18 1.931e-17 -17.014 -16.714 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.676 -42.376 0.300 30.40 @@ -860,7 +849,6 @@ K 2.500e+00 K+ 2.500e+00 1.405e+00 0.398 0.148 -0.250 10.80 Na 5.000e-01 Na+ 5.000e-01 4.775e-01 -0.301 -0.321 -0.020 0.48 - NaOH 1.921e-18 3.833e-18 -17.716 -17.416 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.689 -42.389 0.300 30.40 @@ -923,7 +911,6 @@ H(0) 2.545e-22 Na 1.000e+00 Na+ 5.861e-01 4.548e-01 -0.232 -0.342 -0.110 -0.04 NaSO4- 4.139e-01 2.638e-01 -0.383 -0.579 -0.196 16.33 - NaOH 6.082e-20 8.717e-20 -19.216 -19.060 0.156 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.093 -48.936 0.156 30.40 S(6) 1.000e+00 @@ -967,7 +954,7 @@ Initial solution 14. Activity of water = 0.943 Ionic strength (mol/kgw) = 2.222e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.397e-17 + Total alkalinity (eq/kg) = 2.199e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.122e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -992,7 +979,6 @@ H(0) 3.601e-22 Na 1.000e+00 Na+ 5.386e-01 4.569e-01 -0.269 -0.340 -0.071 0.22 NaSO4- 4.614e-01 2.872e-01 -0.336 -0.542 -0.206 20.19 - NaOH 4.014e-20 6.695e-20 -19.396 -19.174 0.222 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.609 -49.386 0.222 30.40 S(6) 1.500e+00 @@ -1036,7 +1022,7 @@ Initial solution 15. Activity of water = 0.916 Ionic strength (mol/kgw) = 3.094e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.733e-17 + Total alkalinity (eq/kg) = -3.405e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -4.350e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1061,7 +1047,6 @@ H(0) 3.975e-22 Na 1.500e+00 Na+ 7.571e-01 7.339e-01 -0.121 -0.134 -0.013 0.51 NaSO4- 7.429e-01 4.531e-01 -0.129 -0.344 -0.215 24.12 - NaOH 4.412e-20 8.997e-20 -19.355 -19.046 0.309 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.981 -49.671 0.309 30.40 S(6) 2.250e+00 @@ -1105,7 +1090,7 @@ Initial solution 16. Activity of water = 0.890 Ionic strength (mol/kgw) = 3.916e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.232e-16 + Total alkalinity (eq/kg) = -4.318e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -2.292e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1130,7 +1115,6 @@ H(0) 4.125e-22 Na 2.000e+00 NaSO4- 1.036e+00 6.233e-01 0.015 -0.205 -0.221 27.10 Na+ 9.642e-01 1.069e+00 -0.016 0.029 0.045 0.75 - NaOH 4.615e-20 1.137e-19 -19.336 -18.944 0.392 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.284 -49.893 0.392 30.40 S(6) 3.000e+00 @@ -1174,7 +1158,7 @@ Initial solution 17. Activity of water = 0.890 Ionic strength (mol/kgw) = 3.986e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.004e-15 + Total alkalinity (eq/kg) = -1.182e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.638e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1199,7 +1183,6 @@ H(0) 4.724e-22 Na 1.000e+00 NaSO4- 5.368e-01 3.227e-01 -0.270 -0.491 -0.221 27.34 Na+ 4.632e-01 5.196e-01 -0.334 -0.284 0.050 0.76 - NaOH 2.044e-20 5.119e-20 -19.689 -19.291 0.399 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.424 -50.025 0.399 30.40 S(6) 3.000e+00 @@ -1243,7 +1226,7 @@ Initial solution 18. Activity of water = 0.907 Ionic strength (mol/kgw) = 3.423e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.213e-13 + Total alkalinity (eq/kg) = -6.210e-13 Temperature (°C) = 25.00 Electrical balance (eq) = -5.430e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1268,7 +1251,6 @@ H(0) 4.545e-22 Na 1.000e+00 NaSO4- 5.179e-01 3.140e-01 -0.286 -0.503 -0.217 25.38 Na+ 4.821e-01 4.928e-01 -0.317 -0.307 0.010 0.61 - NaOH 2.448e-20 5.385e-20 -19.611 -19.269 0.342 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.205 -49.862 0.342 30.40 S(6) 2.500e+00 @@ -1717,7 +1699,7 @@ Initial solution 25. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.788e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.460e-17 + Total alkalinity (eq/kg) = 9.422e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -9.992e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1750,7 +1732,6 @@ K 5.000e-01 Na 5.000e-01 Na+ 3.699e-01 2.954e-01 -0.432 -0.530 -0.098 0.06 NaSO4- 1.301e-01 8.218e-02 -0.886 -1.085 -0.200 17.76 - NaOH 2.733e-20 4.125e-20 -19.563 -19.385 0.179 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.652 -49.473 0.179 30.40 S(6) 5.000e-01 @@ -1801,7 +1782,7 @@ Initial solution 26. Activity of water = 0.895 Ionic strength (mol/kgw) = 3.405e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.729e-17 + Total alkalinity (eq/kg) = -4.868e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.015e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1834,7 +1815,6 @@ K 1.000e+00 Na 1.000e+00 Na+ 6.795e-01 6.925e-01 -0.168 -0.160 0.008 0.60 NaSO4- 3.205e-01 1.944e-01 -0.494 -0.711 -0.217 25.31 - NaOH 3.431e-20 7.515e-20 -19.465 -19.124 0.341 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.203 -49.862 0.341 30.40 S(6) 1.000e+00 @@ -1885,7 +1865,7 @@ Initial solution 27. Activity of water = 0.843 Ionic strength (mol/kgw) = 4.957e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.746e-16 + Total alkalinity (eq/kg) = -1.793e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -6.711e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1918,7 +1898,6 @@ K 1.500e+00 Na 1.500e+00 Na+ 9.648e-01 1.276e+00 -0.016 0.106 0.121 1.01 NaSO4- 5.352e-01 3.180e-01 -0.271 -0.498 -0.226 30.26 - NaOH 3.813e-20 1.194e-19 -19.419 -18.923 0.496 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.564 -50.068 0.496 30.40 S(6) 1.500e+00 @@ -1969,7 +1948,7 @@ Initial solution 28. Activity of water = 0.922 Ionic strength (mol/kgw) = 2.478e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.731e-17 + Total alkalinity (eq/kg) = -1.854e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 2.210e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2002,7 +1981,6 @@ K 7.500e-01 Na 1.000e+00 Na+ 7.891e-01 6.952e-01 -0.103 -0.158 -0.055 0.31 NaSO4- 2.109e-01 1.304e-01 -0.676 -0.885 -0.209 21.45 - NaOH 5.057e-20 8.946e-20 -19.296 -19.048 0.248 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.840 -49.592 0.248 30.40 S(6) 5.000e-01 @@ -2053,7 +2031,7 @@ Initial solution 29. Activity of water = 0.930 Ionic strength (mol/kgw) = 2.280e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.423e-17 + Total alkalinity (eq/kg) = 6.383e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -5.551e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2086,7 +2064,6 @@ K 1.000e+00 Na 5.000e-01 Na+ 3.756e-01 3.214e-01 -0.425 -0.493 -0.068 0.24 NaSO4- 1.244e-01 7.732e-02 -0.905 -1.112 -0.207 20.48 - NaOH 2.602e-20 4.398e-20 -19.585 -19.357 0.228 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.721 -49.493 0.228 30.40 S(6) 5.000e-01 @@ -2137,7 +2114,7 @@ Initial solution 30. Activity of water = 0.893 Ionic strength (mol/kgw) = 3.642e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.408e-16 + Total alkalinity (eq/kg) = -4.415e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -1.352e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2170,7 +2147,6 @@ K 1.000e+00 Na 5.000e-01 Na+ 2.859e-01 3.028e-01 -0.544 -0.519 0.025 0.67 NaSO4- 2.141e-01 1.294e-01 -0.669 -0.888 -0.219 26.17 - NaOH 1.376e-20 3.182e-20 -19.861 -19.497 0.364 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.280 -49.916 0.364 30.40 S(6) 1.500e+00 diff --git a/mytest/NaNH4K_ClBrSO4_101.sel b/mytest/NaNH4K_ClBrSO4_101.sel index ea317502d..007844b68 100644 --- a/mytest/NaNH4K_ClBrSO4_101.sel +++ b/mytest/NaNH4K_ClBrSO4_101.sel @@ -1,31 +1,31 @@ Mu SC Viscosity - 1.000000146505 97172.0846859914 0.9280920455 - 2.000000153301 173903.2836319239 0.9761521565 - 3.000000156391 235671.0585898113 1.0375251629 - 4.000000157320 284005.1716973122 1.1130169572 - 5.000000156894 320419.4674023482 1.2031207784 - 3.000000156391 262783.4549636915 0.9493124851 - 1.000000148572 98245.9434792946 0.9159432130 - 2.000000154834 175963.3835199137 0.9518178867 - 3.000000157266 238755.5338913075 1.0009668557 - 4.000000157764 288120.1062741245 1.0642413678 - 3.000000156681 207220.1936713207 1.1292887983 - 3.000000157857 264557.4470803356 0.8973480402 - 1.563224081892 127099.6357694251 1.2149573400 - 2.222017027728 187207.0669577063 1.3433203564 - 3.094258770377 254456.2641834438 1.6691524140 - 3.915507695684 318892.8498841393 2.0727059410 - 3.985848388425 337302.5882652944 1.7502361940 - 3.422991626001 291183.0459431470 1.6188777422 - 1.794778033675 152591.7448587659 1.1049917511 - 2.611188227098 213997.7704486150 1.1799548775 - 3.417021882613 269175.1333004005 1.1656425305 - 2.152855659898 183442.1569761938 1.1444092896 - 2.262837484641 184938.9651877409 1.1549496771 - 2.490497934628 211742.7466706206 1.1783331163 - 1.787582727362 161855.3373382548 1.0157752749 - 3.405353359221 266528.2354445464 1.2328106491 - 4.956719314079 334020.1056707833 1.5862270470 - 2.477685760903 207111.8149712472 1.0658610002 - 2.279946190134 201390.6563645338 1.0159248928 - 3.641777952830 292631.6789339752 1.3094351185 + 1.000000146505 97172.0840967784 0.9280920551 + 2.000000153301 173903.2822482166 0.9761521697 + 3.000000156391 235671.0565032407 1.0375251787 + 4.000000157320 284005.1690782324 1.1130169750 + 5.000000156894 320419.4644303606 1.2031207979 + 3.000000156391 262783.4527262045 0.9493125009 + 1.000000148572 98245.9429621998 0.9159432219 + 2.000000154834 175963.3822716338 0.9518178992 + 3.000000157266 238755.5319642359 1.0009668708 + 4.000000157764 288120.1038089117 1.0642413849 + 3.000000156681 207220.1918126512 1.1292888138 + 3.000000157857 264557.4451840336 0.8973480549 + 1.563224081892 127099.6357675080 1.2149573403 + 2.222017027728 187207.0669600464 1.3433203566 + 3.094258770377 254456.2641889502 1.6691524143 + 3.915507695684 318892.8498922151 2.0727059412 + 3.985848388425 337302.5882721393 1.7502361941 + 3.422991626001 291183.0459495255 1.6188777424 + 1.794778033675 152591.7448578523 1.1049917515 + 2.611188227098 213997.7704490251 1.1799548777 + 3.417021882613 269175.1333009069 1.1656425306 + 2.152855659898 183442.1569771403 1.1444092898 + 2.262837484641 184938.9651860554 1.1549496774 + 2.490497934628 211742.7466726785 1.1783331165 + 1.787582727362 161855.3373302777 1.0157752751 + 3.405353359221 266528.2354356344 1.2328106493 + 4.956719314079 334020.1056650415 1.5862270473 + 2.477685760903 207111.8149561532 1.0658610004 + 2.279946190134 201390.6563524692 1.0159248930 + 3.641777952830 292631.6789329059 1.3094351187 diff --git a/mytest/NaOH_density.out b/mytest/NaOH_density.out index c0645114f..3fbb4cfdf 100644 --- a/mytest/NaOH_density.out +++ b/mytest/NaOH_density.out @@ -69,10 +69,10 @@ Na, mol/L: 1.0000e+00 pH = 13.773 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 179624 + Specific Conductance (µS/cm, 25°C) = 179782 Density (g/cm³) = 1.03944 (Iterated) Volume (L) = 0.50028 - Viscosity (mPa s) = 1.10592 + Viscosity (mPa s) = 1.09756 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.001e+00 Mass of water (kg) = 5.000e-01 @@ -96,7 +96,6 @@ H(0) 3.203e-39 H2 1.601e-39 2.016e-39 -38.796 -38.695 0.100 28.61 Na 1.001e+00 Na+ 1.001e+00 7.317e-01 0.000 -0.136 -0.136 -0.31 - NaOH 3.367e-11 4.239e-11 -10.473 -10.373 0.100 (0) O(0) 1.520e-15 O2 7.601e-16 9.570e-16 -15.119 -15.019 0.100 30.40 @@ -147,10 +146,10 @@ Na, mol/L: 1.0000e+00 pH = 13.773 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 179628 + Specific Conductance (µS/cm, 25°C) = 179786 Density (g/cm³) = 1.03945 Volume (L) = 0.50028 - Viscosity (mPa s) = 1.10593 + Viscosity (mPa s) = 1.09756 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.001e+00 Mass of water (kg) = 5.000e-01 @@ -174,7 +173,6 @@ H(0) 3.202e-39 H2 1.601e-39 2.016e-39 -38.796 -38.696 0.100 28.61 Na 1.001e+00 Na+ 1.001e+00 7.317e-01 0.000 -0.136 -0.136 -0.31 - NaOH 3.367e-11 4.239e-11 -10.473 -10.373 0.100 (0) O(0) 1.520e-15 O2 7.601e-16 9.571e-16 -15.119 -15.019 0.100 30.40 @@ -316,9 +314,9 @@ Na, mol/L: 1.0000e+00 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 5.000e-01 - Total alkalinity (eq/kg) = -2.325e-17 + Total alkalinity (eq/kg) = -2.871e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.642e-16 + Electrical balance (eq) = 3.643e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (24 overall) Total H = 5.550622e+01 @@ -339,7 +337,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.29 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 diff --git a/mytest/NaOH_density_101.sel b/mytest/NaOH_density_101.sel index d0eeccd42..d77ac6c37 100644 --- a/mytest/NaOH_density_101.sel +++ b/mytest/NaOH_density_101.sel @@ -1,5 +1,5 @@ Mu SC - 1.000553911580 179624.3123746180 - 1.000580157154 179628.4522737357 + 1.000553911614 179782.5163291675 + 1.000580157187 179786.6649668837 0.964640095616 324747.9077453028 - 1.022036207427 85867.2036998474 + 1.022036207427 85867.2030577101 diff --git a/mytest/Na_MgCl.out b/mytest/Na_MgCl.out index 864fd8651..0025b7728 100644 --- a/mytest/Na_MgCl.out +++ b/mytest/Na_MgCl.out @@ -103,7 +103,7 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 5.016e-04 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.607e-20 + Total alkalinity (eq/kg) = 2.116e-20 Temperature (°C) = 25.00 Electrical balance (eq) = -7.475e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -126,7 +126,6 @@ H(0) 1.434e-25 H2 7.170e-26 7.171e-26 -25.144 -25.144 0.000 28.61 Na 5.015e-04 Na+ 5.015e-04 4.889e-04 -3.300 -3.311 -0.011 -1.49 - NaOH 4.916e-21 4.917e-21 -20.308 -20.308 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.091 -42.091 0.000 30.40 @@ -162,7 +161,7 @@ Initial solution 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.003e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.876e-19 + Total alkalinity (eq/kg) = 1.779e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -2.124e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -185,7 +184,6 @@ H(0) 1.435e-25 H2 7.175e-26 7.176e-26 -25.144 -25.144 0.000 28.61 Na 1.003e-03 Na+ 1.003e-03 9.680e-04 -2.999 -3.014 -0.015 -1.48 - NaOH 9.729e-21 9.731e-21 -20.012 -20.012 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.092 -42.092 0.000 30.40 @@ -221,7 +219,7 @@ Initial solution 3. Activity of water = 1.000 Ionic strength (mol/kgw) = 5.015e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.217e-19 + Total alkalinity (eq/kg) = 7.506e-20 Temperature (°C) = 25.00 Electrical balance (eq) = -8.594e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -244,7 +242,6 @@ H(0) 1.441e-25 H2 7.204e-26 7.212e-26 -25.142 -25.142 0.001 28.61 Na 5.015e-03 Na+ 5.015e-03 4.653e-03 -2.300 -2.332 -0.033 -1.42 - NaOH 4.660e-20 4.665e-20 -19.332 -19.331 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.097 -42.096 0.001 30.40 @@ -280,7 +277,7 @@ Initial solution 4. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.003e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.851e-19 + Total alkalinity (eq/kg) = -3.764e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -2.658e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -303,7 +300,6 @@ H(0) 1.446e-25 H2 7.232e-26 7.249e-26 -25.141 -25.140 0.001 28.61 Na 1.003e-02 Na+ 1.003e-02 9.060e-03 -1.999 -2.043 -0.044 -1.38 - NaOH 9.038e-20 9.059e-20 -19.044 -19.043 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.102 -42.101 0.001 30.40 @@ -339,7 +335,7 @@ Initial solution 5. Activity of water = 0.999 Ionic strength (mol/kgw) = 2.007e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.930e-19 + Total alkalinity (eq/kg) = -6.675e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -1.014e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -362,7 +358,6 @@ H(0) 1.455e-25 H2 7.276e-26 7.310e-26 -25.138 -25.136 0.002 28.61 Na 2.007e-02 Na+ 2.007e-02 1.751e-02 -1.698 -1.757 -0.059 -1.32 - NaOH 1.735e-19 1.743e-19 -18.761 -18.759 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.110 -42.108 0.002 30.40 @@ -398,7 +393,7 @@ Initial solution 6. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.019e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.128e-18 + Total alkalinity (eq/kg) = 1.722e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -6.057e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -421,7 +416,6 @@ H(0) 1.471e-25 H2 7.357e-26 7.442e-26 -25.133 -25.128 0.005 28.61 Na 5.019e-02 Na+ 5.019e-02 4.139e-02 -1.299 -1.383 -0.084 -1.21 - NaOH 4.032e-19 4.079e-19 -18.394 -18.389 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.130 -42.125 0.005 30.40 @@ -457,7 +451,7 @@ Initial solution 7. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.005e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.045e-17 + Total alkalinity (eq/kg) = 9.700e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -4.850e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -480,7 +474,6 @@ H(0) 1.483e-25 H2 7.417e-26 7.590e-26 -25.130 -25.120 0.010 28.61 Na 1.005e-01 Na+ 1.005e-01 7.885e-02 -0.998 -1.103 -0.105 -1.09 - NaOH 7.506e-19 7.681e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.154 -42.143 0.010 30.40 @@ -516,7 +509,7 @@ Initial solution 8. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.256e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.020e-17 + Total alkalinity (eq/kg) = -1.113e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.750e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -539,7 +532,6 @@ H(0) 1.486e-25 H2 7.429e-26 7.647e-26 -25.129 -25.117 0.013 28.61 Na 1.256e-01 Na+ 1.256e-01 9.702e-02 -0.901 -1.013 -0.112 -1.04 - NaOH 9.140e-19 9.408e-19 -18.039 -18.026 0.013 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.163 -42.151 0.013 30.40 @@ -575,7 +567,7 @@ Initial solution 9. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.508e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.273e-18 + Total alkalinity (eq/kg) = -2.361e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -4.729e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -598,7 +590,6 @@ H(0) 1.487e-25 H2 7.434e-26 7.697e-26 -25.129 -25.114 0.015 28.61 Na 1.508e-01 Na+ 1.508e-01 1.150e-01 -0.821 -0.939 -0.118 -1.00 - NaOH 1.072e-18 1.110e-18 -17.970 -17.955 0.015 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.172 -42.157 0.015 30.40 @@ -634,7 +625,7 @@ Initial solution 10. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.761e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.524e-18 + Total alkalinity (eq/kg) = 3.288e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.051e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -657,7 +648,6 @@ H(0) 1.487e-25 H2 7.433e-26 7.741e-26 -25.129 -25.111 0.018 28.61 Na 1.761e-01 Na+ 1.761e-01 1.328e-01 -0.754 -0.877 -0.123 -0.96 - NaOH 1.227e-18 1.278e-18 -17.911 -17.894 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.180 -42.163 0.018 30.40 @@ -693,7 +683,7 @@ Initial solution 11. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.183e-17 + Total alkalinity (eq/kg) = 2.043e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -2.034e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -716,7 +706,6 @@ H(0) 1.486e-25 H2 7.428e-26 7.780e-26 -25.129 -25.109 0.020 28.61 Na 2.013e-01 Na+ 2.013e-01 1.505e-01 -0.696 -0.823 -0.126 -0.93 - NaOH 1.378e-18 1.443e-18 -17.861 -17.841 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.188 -42.168 0.020 30.40 @@ -752,7 +741,7 @@ Initial solution 12. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.518e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.249e-17 + Total alkalinity (eq/kg) = 1.076e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -5.723e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -775,7 +764,6 @@ H(0) 1.481e-25 H2 7.407e-26 7.849e-26 -25.130 -25.105 0.025 28.61 Na 2.518e-01 Na+ 2.518e-01 1.857e-01 -0.599 -0.731 -0.132 -0.87 - NaOH 1.670e-18 1.769e-18 -17.777 -17.752 0.025 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.202 -42.177 0.025 30.40 @@ -811,7 +799,7 @@ Initial solution 13. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.025e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.808e-17 + Total alkalinity (eq/kg) = -3.006e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.248e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -834,7 +822,6 @@ H(0) 1.475e-25 H2 7.377e-26 7.909e-26 -25.132 -25.102 0.030 28.61 Na 3.025e-01 Na+ 3.025e-01 2.208e-01 -0.519 -0.656 -0.137 -0.81 - NaOH 1.952e-18 2.093e-18 -17.710 -17.679 0.030 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.215 -42.185 0.030 30.40 @@ -870,7 +857,7 @@ Initial solution 14. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.041e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.565e-18 + Total alkalinity (eq/kg) = -1.211e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.348e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -893,7 +880,6 @@ H(0) 1.459e-25 H2 7.297e-26 8.009e-26 -25.137 -25.096 0.040 28.61 Na 4.041e-01 Na+ 4.041e-01 2.914e-01 -0.394 -0.535 -0.142 -0.71 - NaOH 2.492e-18 2.735e-18 -17.603 -17.563 0.040 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.240 -42.199 0.040 30.40 @@ -929,7 +915,7 @@ Initial solution 15. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.060e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.379e-17 + Total alkalinity (eq/kg) = -6.685e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.175e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -952,7 +938,6 @@ H(0) 1.441e-25 H2 7.203e-26 8.093e-26 -25.143 -25.092 0.051 28.61 Na 5.060e-01 Na+ 5.060e-01 3.630e-01 -0.296 -0.440 -0.144 -0.63 - NaOH 3.006e-18 3.378e-18 -17.522 -17.471 0.051 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.262 -42.211 0.051 30.40 @@ -988,7 +973,7 @@ Initial solution 16. Activity of water = 0.979 Ionic strength (mol/kgw) = 6.084e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.657e-17 + Total alkalinity (eq/kg) = -3.976e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 7.591e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1011,7 +996,6 @@ H(0) 1.420e-25 H2 7.098e-26 8.166e-26 -25.149 -25.088 0.061 28.61 Na 6.084e-01 Na+ 6.084e-01 4.361e-01 -0.216 -0.360 -0.145 -0.55 - NaOH 3.499e-18 4.025e-18 -17.456 -17.395 0.061 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.283 -42.222 0.061 30.40 @@ -1047,7 +1031,7 @@ Initial solution 17. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.112e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.872e-18 + Total alkalinity (eq/kg) = -2.219e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 3.835e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1070,7 +1054,6 @@ H(0) 1.398e-25 H2 6.989e-26 8.232e-26 -25.156 -25.084 0.071 28.61 Na 7.112e-01 Na+ 7.112e-01 5.110e-01 -0.148 -0.292 -0.144 -0.48 - NaOH 3.973e-18 4.680e-18 -17.401 -17.330 0.071 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.303 -42.232 0.071 30.40 @@ -1106,7 +1089,7 @@ Initial solution 18. Activity of water = 0.972 Ionic strength (mol/kgw) = 8.144e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.076e-18 + Total alkalinity (eq/kg) = -3.486e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.528e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1129,7 +1112,6 @@ H(0) 1.375e-25 H2 6.875e-26 8.293e-26 -25.163 -25.081 0.081 28.61 Na 8.144e-01 Na+ 8.144e-01 5.879e-01 -0.089 -0.231 -0.142 -0.41 - NaOH 4.431e-18 5.345e-18 -17.353 -17.272 0.081 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.323 -42.242 0.081 30.40 @@ -1165,9 +1147,9 @@ Initial solution 19. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.180e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.608e-17 + Total alkalinity (eq/kg) = 4.106e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.804e-15 + Electrical balance (eq) = 4.805e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (72 overall) Total H = 1.110124e+02 @@ -1188,7 +1170,6 @@ H(0) 1.352e-25 H2 6.759e-26 8.350e-26 -25.170 -25.078 0.092 28.61 Na 9.180e-01 Na+ 9.180e-01 6.671e-01 -0.037 -0.176 -0.139 -0.35 - NaOH 4.875e-18 6.023e-18 -17.312 -17.220 0.092 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.343 -42.251 0.092 30.40 @@ -1224,9 +1205,9 @@ Initial solution 20. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.163e-16 + Total alkalinity (eq/kg) = 1.108e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.496e-16 + Electrical balance (eq) = 9.497e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (76 overall) Total H = 1.110124e+02 @@ -1247,7 +1228,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.30 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 @@ -1283,7 +1263,7 @@ Initial solution 21. Activity of water = 0.958 Ionic strength (mol/kgw) = 1.231e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.383e-14 + Total alkalinity (eq/kg) = -6.384e-14 Temperature (°C) = 25.00 Electrical balance (eq) = 5.292e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1306,7 +1286,6 @@ H(0) 1.280e-25 H2 6.402e-26 8.501e-26 -25.194 -25.071 0.123 28.61 Na 1.231e+00 Na+ 1.231e+00 9.201e-01 0.090 -0.036 -0.127 -0.19 - NaOH 6.132e-18 8.143e-18 -17.212 -17.089 0.123 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.399 -42.276 0.123 30.40 @@ -1365,7 +1344,6 @@ H(0) 1.232e-25 H2 6.160e-26 8.587e-26 -25.210 -25.066 0.144 28.61 Na 1.443e+00 Na+ 1.443e+00 1.103e+00 0.159 0.043 -0.116 -0.09 - NaOH 6.917e-18 9.642e-18 -17.160 -17.016 0.144 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.436 -42.291 0.144 30.40 @@ -1424,7 +1402,6 @@ H(0) 1.183e-25 H2 5.917e-26 8.663e-26 -25.228 -25.062 0.166 28.61 Na 1.656e+00 Na+ 1.656e+00 1.300e+00 0.219 0.114 -0.105 0.00 - NaOH 7.665e-18 1.122e-17 -17.115 -16.950 0.166 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.471 -42.306 0.166 30.40 @@ -1460,7 +1437,7 @@ Initial solution 24. Activity of water = 0.936 Ionic strength (mol/kgw) = 1.871e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.554e-13 + Total alkalinity (eq/kg) = -3.555e-13 Temperature (°C) = 25.00 Electrical balance (eq) = 2.629e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1483,7 +1460,6 @@ H(0) 1.135e-25 H2 5.674e-26 8.729e-26 -25.246 -25.059 0.187 28.61 Na 1.871e+00 Na+ 1.871e+00 1.510e+00 0.272 0.179 -0.093 0.09 - NaOH 8.381e-18 1.289e-17 -17.077 -16.890 0.187 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.506 -42.319 0.187 30.40 @@ -1542,7 +1518,6 @@ H(0) 1.086e-25 H2 5.432e-26 8.784e-26 -25.265 -25.056 0.209 28.61 Na 2.087e+00 Na+ 2.087e+00 1.737e+00 0.320 0.240 -0.080 0.17 - NaOH 9.067e-18 1.466e-17 -17.043 -16.834 0.209 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.540 -42.331 0.209 30.40 @@ -1578,9 +1553,9 @@ Initial solution 26. Activity of water = 0.910 Ionic strength (mol/kgw) = 2.638e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.497e-17 + Total alkalinity (eq/kg) = -6.606e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.314e-17 + Electrical balance (eq) = 7.335e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (95 overall) Total H = 1.110124e+02 @@ -1601,7 +1576,6 @@ H(0) 9.672e-26 H2 4.836e-26 8.878e-26 -25.316 -25.052 0.264 28.61 Na 2.638e+00 Na+ 2.638e+00 2.382e+00 0.421 0.377 -0.044 0.37 - NaOH 1.067e-17 1.960e-17 -16.972 -16.708 0.264 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.622 -42.358 0.264 30.40 @@ -1660,7 +1634,6 @@ H(0) 8.528e-26 H2 4.264e-26 8.914e-26 -25.370 -25.050 0.320 28.61 Na 3.203e+00 Na+ 3.203e+00 3.159e+00 0.505 0.500 -0.006 0.54 - NaOH 1.215e-17 2.539e-17 -16.916 -16.595 0.320 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.701 -42.380 0.320 30.40 @@ -1696,7 +1669,7 @@ Initial solution 28. Activity of water = 0.871 Ionic strength (mol/kgw) = 3.781e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.847e-17 + Total alkalinity (eq/kg) = 5.450e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 7.996e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1719,7 +1692,6 @@ H(0) 7.452e-26 H2 3.726e-26 8.898e-26 -25.429 -25.051 0.378 28.61 Na 3.781e+00 Na+ 3.781e+00 4.098e+00 0.578 0.613 0.035 0.71 - NaOH 1.350e-17 3.224e-17 -16.870 -16.492 0.378 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.776 -42.398 0.378 30.40 @@ -1755,7 +1727,7 @@ Initial solution 29. Activity of water = 0.851 Ionic strength (mol/kgw) = 4.374e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.237e-16 + Total alkalinity (eq/kg) = -6.393e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 3.988e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1778,7 +1750,6 @@ H(0) 6.457e-26 H2 3.229e-26 8.839e-26 -25.491 -25.054 0.437 28.61 Na 4.374e+00 Na+ 4.374e+00 5.236e+00 0.641 0.719 0.078 0.87 - NaOH 1.475e-17 4.038e-17 -16.831 -16.394 0.437 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.850 -42.413 0.437 30.40 @@ -1814,7 +1785,7 @@ Initial solution 30. Activity of water = 0.831 Ionic strength (mol/kgw) = 4.983e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.442e-16 + Total alkalinity (eq/kg) = -9.607e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 7.640e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1837,7 +1808,6 @@ H(0) 5.552e-26 H2 2.776e-26 8.743e-26 -25.557 -25.058 0.498 28.61 Na 4.983e+00 Na+ 4.983e+00 6.620e+00 0.697 0.821 0.123 1.02 - NaOH 1.590e-17 5.008e-17 -16.799 -16.300 0.498 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.923 -42.425 0.498 30.40 @@ -1873,7 +1843,7 @@ Initial solution 31. Activity of water = 0.809 Ionic strength (mol/kgw) = 5.609e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.761e-16 + Total alkalinity (eq/kg) = -7.932e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.221e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1896,7 +1866,6 @@ H(0) 4.737e-26 H2 2.368e-26 8.618e-26 -25.626 -25.065 0.561 28.61 Na 5.609e+00 Na+ 5.609e+00 8.308e+00 0.749 0.919 0.171 1.16 - NaOH 1.695e-17 6.168e-17 -16.771 -16.210 0.561 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.995 -42.435 0.561 30.40 @@ -1932,7 +1901,7 @@ Initial solution 32. Activity of water = 0.794 Ionic strength (mol/kgw) = 6.059e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.047e-17 + Total alkalinity (eq/kg) = 3.155e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.259e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1955,7 +1924,6 @@ H(0) 4.220e-26 H2 2.110e-26 8.514e-26 -25.676 -25.070 0.606 28.61 Na 6.059e+00 Na+ 6.059e+00 9.709e+00 0.782 0.987 0.205 1.27 - NaOH 1.763e-17 7.115e-17 -16.754 -16.148 0.606 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.047 -42.441 0.606 30.40 @@ -2026,7 +1994,7 @@ Initial solution 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 7.591e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.254e-17 + Total alkalinity (eq/kg) = 6.005e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 3.662e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2052,7 +2020,6 @@ Mg 1.265e-01 MgOH+ 4.888e-07 3.418e-07 -6.311 -6.466 -0.155 (0) Na 3.796e-01 Na+ 3.796e-01 2.732e-01 -0.421 -0.563 -0.143 -0.45 - NaOH 5.973e-19 7.113e-19 -18.224 -18.148 0.076 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.498 -44.422 0.076 30.40 @@ -2089,7 +2056,7 @@ Initial solution 2. Activity of water = 0.961 Ionic strength (mol/kgw) = 1.533e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.115e-16 + Total alkalinity (eq/kg) = 3.088e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -1.146e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2115,7 +2082,6 @@ Mg 2.556e-01 MgOH+ 7.820e-07 5.247e-07 -6.107 -6.280 -0.173 (0) Na 7.667e-01 Na+ 7.667e-01 5.928e-01 -0.115 -0.227 -0.112 -0.05 - NaOH 7.094e-19 1.010e-18 -18.149 -17.996 0.153 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.294 -45.141 0.153 30.40 @@ -2178,7 +2144,6 @@ Mg 5.225e-01 MgOH+ 1.487e-06 9.627e-07 -5.828 -6.017 -0.189 (0) Na 1.567e+00 Na+ 1.567e+00 1.529e+00 0.195 0.185 -0.011 0.52 - NaOH 6.531e-19 1.344e-18 -18.185 -17.872 0.313 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.566 -46.253 0.313 30.40 @@ -2215,7 +2180,7 @@ Initial solution 4. Activity of water = 0.877 Ionic strength (mol/kgw) = 4.817e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.793e-15 + Total alkalinity (eq/kg) = 1.788e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.144e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2241,7 +2206,6 @@ Mg 8.029e-01 MgOH+ 2.559e-06 1.627e-06 -5.592 -5.789 -0.197 (0) Na 2.409e+00 Na+ 2.409e+00 3.110e+00 0.382 0.493 0.111 0.98 - NaOH 5.026e-19 1.524e-18 -18.299 -17.817 0.482 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.708 -47.226 0.482 30.40 @@ -2278,7 +2242,7 @@ Initial solution 5. Activity of water = 0.841 Ionic strength (mol/kgw) = 6.220e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.184e-16 + Total alkalinity (eq/kg) = -1.983e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 9.207e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2304,7 +2268,6 @@ Mg 1.037e+00 MgOH+ 3.862e-06 2.431e-06 -5.413 -5.614 -0.201 (0) Na 3.110e+00 Na+ 3.110e+00 5.128e+00 0.493 0.710 0.217 1.30 - NaOH 3.830e-19 1.604e-18 -18.417 -17.795 0.622 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.592 -47.970 0.622 30.40 @@ -2373,7 +2336,7 @@ Initial solution 6. Activity of water = 0.978 Ionic strength (mol/kgw) = 1.012e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.360e-16 + Total alkalinity (eq/kg) = 1.345e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 9.212e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2399,7 +2362,6 @@ Mg 2.530e-01 MgOH+ 7.243e-07 4.976e-07 -6.140 -6.303 -0.163 (0) Na 2.530e-01 Na+ 2.530e-01 1.852e-01 -0.597 -0.732 -0.136 -0.30 - NaOH 2.700e-19 3.409e-19 -18.569 -18.467 0.101 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.123 -45.022 0.101 30.40 @@ -2462,7 +2424,6 @@ Mg 5.113e-01 MgOH+ 1.215e-06 8.029e-07 -5.915 -6.095 -0.180 (0) Na 5.113e-01 Na+ 5.113e-01 4.230e-01 -0.291 -0.374 -0.082 0.16 - NaOH 2.938e-19 4.706e-19 -18.532 -18.327 0.205 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.082 -45.877 0.205 30.40 @@ -2525,7 +2486,6 @@ Mg 1.047e+00 MgOH+ 2.605e-06 1.665e-06 -5.584 -5.779 -0.194 (0) Na 1.047e+00 Na+ 1.047e+00 1.214e+00 0.020 0.084 0.064 0.82 - NaOH 2.312e-19 6.063e-19 -18.636 -18.217 0.419 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.645 -47.226 0.419 30.40 @@ -2588,7 +2548,6 @@ Mg 1.611e+00 MgOH+ 5.124e-06 3.221e-06 -5.290 -5.492 -0.202 (0) Na 1.611e+00 Na+ 1.611e+00 2.765e+00 0.207 0.442 0.234 1.35 - NaOH 1.517e-19 6.693e-19 -18.819 -18.174 0.645 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.082 -48.437 0.645 30.40 @@ -2625,7 +2584,7 @@ Initial solution 10. Activity of water = 0.827 Ionic strength (mol/kgw) = 8.160e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.078e-15 + Total alkalinity (eq/kg) = 7.397e-15 Temperature (°C) = 25.00 Electrical balance (eq) = 1.029e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2651,7 +2610,6 @@ Mg 2.040e+00 MgOH+ 8.247e-06 5.141e-06 -5.084 -5.289 -0.205 (0) Na 2.040e+00 Na+ 2.040e+00 4.754e+00 0.310 0.677 0.367 1.69 - NaOH 1.051e-19 6.879e-19 -18.978 -18.162 0.816 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.110 -49.294 0.816 30.40 @@ -2747,7 +2705,6 @@ Mg 3.796e-01 MgOH+ 9.235e-07 6.263e-07 -6.035 -6.203 -0.169 (0) Na 1.265e-01 Na+ 1.265e-01 9.487e-02 -0.898 -1.023 -0.125 -0.17 - NaOH 1.040e-19 1.392e-19 -18.983 -18.856 0.127 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.541 -45.414 0.127 30.40 @@ -2810,7 +2767,6 @@ Mg 7.673e-01 MgOH+ 1.637e-06 1.070e-06 -5.786 -5.971 -0.185 (0) Na 2.558e-01 Na+ 2.558e-01 2.281e-01 -0.592 -0.642 -0.050 0.34 - NaOH 1.046e-19 1.884e-19 -18.981 -18.725 0.256 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.646 -46.390 0.256 30.40 @@ -2873,7 +2829,6 @@ Mg 1.573e+00 MgOH+ 3.981e-06 2.522e-06 -5.400 -5.598 -0.198 (0) Na 5.242e-01 Na+ 5.242e-01 7.283e-01 -0.281 -0.138 0.143 1.08 - NaOH 7.071e-20 2.364e-19 -19.151 -18.626 0.524 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.490 -47.966 0.524 30.40 @@ -2910,7 +2865,7 @@ Initial solution 14. Activity of water = 0.849 Ionic strength (mol/kgw) = 8.091e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.177e-14 + Total alkalinity (eq/kg) = 1.136e-14 Temperature (°C) = 25.00 Electrical balance (eq) = 1.576e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2936,7 +2891,6 @@ Mg 2.427e+00 MgOH+ 8.975e-06 5.597e-06 -5.047 -5.252 -0.205 (0) Na 8.091e-01 Na+ 8.091e-01 1.862e+00 -0.092 0.270 0.362 1.68 - NaOH 3.945e-20 2.542e-19 -19.404 -18.595 0.809 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.227 -49.418 0.809 30.40 @@ -2973,7 +2927,7 @@ Initial solution 15. Activity of water = 0.815 Ionic strength (mol/kgw) = 9.898e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.427e-16 + Total alkalinity (eq/kg) = 8.757e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.290e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2999,7 +2953,6 @@ Mg 2.969e+00 MgOH+ 1.457e-05 9.025e-06 -4.837 -5.045 -0.208 (0) Na 9.898e-01 Na+ 9.898e-01 3.159e+00 -0.004 0.500 0.504 2.01 - NaOH 2.621e-20 2.560e-19 -19.581 -18.592 0.990 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.278 -50.288 0.990 30.40 diff --git a/mytest/Na_MgCl_101.sel b/mytest/Na_MgCl_101.sel index 6723329e8..6454a7f95 100644 --- a/mytest/Na_MgCl_101.sel +++ b/mytest/Na_MgCl_101.sel @@ -1,85 +1,85 @@ Mu SC - 0.000501593160 62.0523251662 - 0.001003104166 123.2819167733 - 0.005015308118 601.0169301755 - 0.010031110802 1181.2653067473 - 0.020066114253 2309.1046893342 - 0.050191120111 5543.3548072910 - 0.100470125484 10655.6565263405 - 0.125640127358 13126.5120049151 - 0.150840128932 15554.8780033244 - 0.176060130288 17945.7497999798 - 0.201310131480 20304.3961808745 - 0.251840133498 24931.8660893197 - 0.302490135171 29461.5434095456 - 0.404070137844 38265.9072626583 - 0.506030139947 46778.0439073248 - 0.608440141690 55038.7599537198 - 0.711170143181 63059.6004008349 - 0.814380144492 70867.6844891755 - 0.917990145662 78466.9011772380 - 1.022000146720 85864.6779643952 - 1.231400148575 100088.7518773125 - 1.442600150153 113570.4605137731 - 1.655600151511 126328.5371432345 - 1.870500152681 138382.2213263045 - 2.087200153685 149737.1020711032 - 2.638300155577 175203.9725601534 - 3.202500156722 196609.6310182117 - 3.780700157254 214179.4375559148 - 4.373800157288 228168.6223244359 - 4.982800156910 238859.4571150886 - 5.609200156189 246554.0359316680 - 6.058700155507 250317.2974124681 - 0.759100995451 53268.6557408988 - 1.533477063039 94684.7714731972 - 3.134919058187 156205.7977829469 - 4.817448868825 194155.2101724749 - 6.220342963521 209718.0701882922 - 1.012169573892 59542.8136865063 - 2.045281917187 103100.0189319633 - 4.186083040471 161514.5708739710 - 6.445594978700 187726.5620257870 - 8.160360276513 189334.3593121173 - 1.265272781877 65468.2613627188 - 2.557557314526 110698.2183822701 - 5.241791863134 163605.6769262956 - 8.090816238629 173438.7252125609 - 9.897659664617 163426.2649599575 - 0.000226519637 19.1296818596 - 0.000510850542 42.7613791071 - 0.000840180796 69.8465072345 - 0.001606264888 132.0252724299 - 0.003061566793 247.9207615628 - 0.004269137997 342.4798367083 - 0.006285340163 497.8634137379 - 0.007873141543 618.4584277753 - 0.009493727011 740.1935772704 - 0.012618602152 971.6629196354 - 0.015044990484 1148.8483267968 - 0.031688931088 2321.1813181577 - 0.070928845898 4906.5849073462 - 0.071882844263 4967.3033046224 - 0.076151837105 5238.0103505335 - 0.132929758752 8711.5694110913 - 0.207509680632 13016.5178616020 - 0.231509658661 14355.5526597153 - 0.272069623827 16576.1625540896 - 0.278039618904 16898.8580818339 - 0.377969542217 22161.8062690202 - 0.547589428924 30598.4719540141 - 0.550049427379 30716.8863048686 - 0.668129353057 36283.6540924494 - 0.702539332417 37864.9767742127 - 0.952799187891 48871.3763124403 - 1.182899059625 58308.2411851768 - 1.194599053150 58772.1873790173 - 1.966798617853 86428.1726024039 - 2.968497969099 114899.1713696732 - 4.794596313356 148882.2149033461 - 6.873593206247 163348.9959455569 - 8.879988180280 158696.6307512540 - 10.823980215391 144018.9919539974 + 0.000501593160 62.0523251573 + 0.001003104166 123.2819167451 + 0.005015308118 601.0169298364 + 0.010031110802 1181.2653057954 + 0.020066114253 2309.1046866951 + 0.050191120111 5543.3547972708 + 0.100470125484 10655.6564991080 + 0.125640127358 13126.5119674205 + 0.150840128932 15554.8779546759 + 0.176060130288 17945.7497393969 + 0.201310131480 20304.3961076561 + 0.251840133498 24931.8659890219 + 0.302490135171 29461.5432800602 + 0.404070137844 38265.9070697646 + 0.506030139947 46778.0436458546 + 0.608440141690 55038.7596198642 + 0.711170143181 63059.5999919675 + 0.814380144492 70867.6840034327 + 0.917990145662 78466.9006135431 + 1.022000146720 85864.6773222850 + 1.231400148575 100088.7510788619 + 1.442600150153 113570.4595623525 + 1.655600151511 126328.5360447085 + 1.870500152681 138382.2200883193 + 2.087200153685 149737.1007027142 + 2.638300155577 175203.9709100343 + 3.202500156722 196609.6291544356 + 3.780700157254 214179.4355455430 + 4.373800157288 228168.6202288827 + 4.982800156910 238859.4549872965 + 5.609200156189 246554.0338148788 + 6.058700155507 250317.2953238192 + 0.759100995451 53268.6556280593 + 1.533477063039 94684.7713041788 + 3.134919058187 156205.7976148865 + 4.817448868825 194155.2100556510 + 6.220342963521 209718.0701113212 + 1.012169573892 59542.8135827836 + 2.045281917187 103100.0187999154 + 4.186083040471 161514.5707747228 + 6.445594978700 187726.5619744737 + 8.160360276513 189334.3592844805 + 1.265272781877 65468.2612633660 + 2.557557314526 110698.2182727485 + 5.241791863134 163605.6768643326 + 8.090816238629 173438.7251901112 + 9.897659664617 163426.2649494665 + 0.000226519637 19.1296818364 + 0.000510850542 42.7613790536 + 0.000840180796 69.8465071392 + 0.001606264888 132.0252722562 + 0.003061566793 247.9207611882 + 0.004269137997 342.4798363474 + 0.006285340163 497.8634129490 + 0.007873141543 618.4584263733 + 0.009493727011 740.1935755982 + 0.012618602152 971.6629180406 + 0.015044990484 1148.8483248972 + 0.031688931088 2321.1813142092 + 0.070928845898 4906.5848987336 + 0.071882844263 4967.3032958985 + 0.076151837105 5238.0103413124 + 0.132929758752 8711.5693954097 + 0.207509680632 13016.5178378607 + 0.231509658661 14355.5526334849 + 0.272069623827 16576.1625237701 + 0.278039618904 16898.8580509250 + 0.377969542217 22161.8062287211 + 0.547589428924 30598.4718997815 + 0.550049427379 30716.8862504519 + 0.668129353057 36283.6540297790 + 0.702539332417 37864.9767093408 + 0.952799187891 48871.3762341037 + 1.182899059625 58308.2410979401 + 1.194599053150 58772.1872914061 + 1.966798617853 86428.1725027033 + 2.968497969099 114899.1712765592 + 4.794596313356 148882.2148413527 + 6.873593206247 163348.9959147866 + 8.879988180280 158696.6307378433 + 10.823980215391 144018.9919485210 12.647968347582 126690.1325142627 14.237952705599 111429.3788108715 15.728931457166 98069.0376827873 diff --git a/mytest/O2_conc_PR_IS_101.sel b/mytest/O2_conc_PR_IS_101.sel index 3b29312cb..fae5aaae8 100644 --- a/mytest/O2_conc_PR_IS_101.sel +++ b/mytest/O2_conc_PR_IS_101.sel @@ -1,8 +1,8 @@ Mu SC 0.000000100661 0.0546997340 0.000000108541 0.0607575810 - 0.000000109496 0.0613257463 - 0.000000110454 0.0619024586 - 0.000000111414 0.0624869939 + 0.000000109496 0.0613257464 + 0.000000110454 0.0619024587 + 0.000000111414 0.0624869940 0.000000112378 0.0630787182 - 0.000000113344 0.0636770083 + 0.000000113344 0.0636770084 diff --git a/mytest/PR_EQ.out b/mytest/PR_EQ.out index ad40f62b5..15348fcad 100644 --- a/mytest/PR_EQ.out +++ b/mytest/PR_EQ.out @@ -143,10 +143,10 @@ Calcite -0.00 -8.36 -8.36 1.000e+01 9.960e+00 -4.009e-02 pH = 4.969 Charge balance pe = -1.712 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 5821 + Specific Conductance (µS/cm, 25°C) = 5231 Density (g/cm³) = 1.01915 Volume (L) = 1.04663 - Viscosity (mPa s) = 0.92022 + Viscosity (mPa s) = 1.13529 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.164e-01 Mass of water (kg) = 9.992e-01 @@ -239,10 +239,10 @@ Calcite -0.00 -8.63 -8.63 1.000e+01 9.972e+00 -2.813e-02 pH = 4.864 Charge balance pe = -2.027 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 6668 + Specific Conductance (µS/cm, 50°C) = 6133 Density (g/cm³) = 1.00475 Volume (L) = 1.04710 - Viscosity (mPa s) = 0.56494 + Viscosity (mPa s) = 0.66810 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.818e-02 Mass of water (kg) = 9.995e-01 @@ -335,10 +335,10 @@ Calcite -0.00 -8.36 -8.36 1.000e+01 9.960e+00 -4.009e-02 pH = 4.969 Charge balance pe = -1.712 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 5821 + Specific Conductance (µS/cm, 25°C) = 5231 Density (g/cm³) = 1.01915 Volume (L) = 1.04663 - Viscosity (mPa s) = 0.92022 + Viscosity (mPa s) = 1.13529 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.164e-01 Mass of water (kg) = 9.992e-01 diff --git a/mytest/PR_EQ_101.sel b/mytest/PR_EQ_101.sel index df998f2a0..54ded3a62 100644 --- a/mytest/PR_EQ_101.sel +++ b/mytest/PR_EQ_101.sel @@ -1,5 +1,5 @@ Mu SC 0.000000106116 0.0583722451 - 0.116414320195 5821.6430299845 - 0.078177992337 6668.8997733847 - 0.116414320190 5821.6430296690 + 0.116414320195 5231.3043582372 + 0.078177992337 6133.8289223876 + 0.116414320190 5231.3043579777 diff --git a/mytest/PR_EQ_GP.out b/mytest/PR_EQ_GP.out index e5a1e0f59..3b66d1ea4 100644 --- a/mytest/PR_EQ_GP.out +++ b/mytest/PR_EQ_GP.out @@ -53,10 +53,10 @@ Initial solution 1. pH = 3.094 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 301 + Specific Conductance (µS/cm, 25°C) = 248 Density (g/cm³) = 1.01723 Volume (L) = 1.03845 - Viscosity (mPa s) = 0.88823 + Viscosity (mPa s) = 0.97414 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.304e-04 Mass of water (kg) = 1.000e+00 @@ -164,10 +164,10 @@ N2(g) 2.00 1.000e+02 1.142 5.525e+05 5.525e+05 -8.918e-03 pH = 3.132 Charge balance pe = 4.003 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 279 + Specific Conductance (µS/cm, 25°C) = 237 Density (g/cm³) = 1.01535 Volume (L) = 1.03144 - Viscosity (mPa s) = 0.88820 + Viscosity (mPa s) = 0.95977 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.594e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/PR_EQ_GP_101.sel b/mytest/PR_EQ_GP_101.sel index 252a06904..2abf2bad4 100644 --- a/mytest/PR_EQ_GP_101.sel +++ b/mytest/PR_EQ_GP_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000830396012 301.1889325033 - 0.000759448871 279.3226937668 + 0.000830396012 248.4467735581 + 0.000759448871 237.5662174909 diff --git a/mytest/PR_equil.out b/mytest/PR_equil.out index c7142492e..4bfaf74ae 100644 --- a/mytest/PR_equil.out +++ b/mytest/PR_equil.out @@ -58,10 +58,10 @@ Initial solution 7. pH = 3.430 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00451 Volume (L) = 1.00934 - Viscosity (mPa s) = 0.88887 + Viscosity (mPa s) = 0.90857 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.796e-04 Mass of water (kg) = 1.000e+00 @@ -173,10 +173,10 @@ N2(g) 1.97 9.335e+01 0.974 3.974e+00 3.977e+00 3.295e-03 pH = 3.487 Charge balance pe = 3.920 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 128 + Specific Conductance (µS/cm, 25°C) = 124 Density (g/cm³) = 1.00364 Volume (L) = 1.00734 - Viscosity (mPa s) = 0.88892 + Viscosity (mPa s) = 0.90421 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.327e-04 Mass of water (kg) = 1.000e+00 @@ -309,10 +309,10 @@ N2(g) 2.00 1.003e+02 0.975 0.000e+00 4.310e-08 4.310e-08 pH = 3.429 Charge balance pe = 4.001 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00472 Volume (L) = 1.00913 - Viscosity (mPa s) = 0.88882 + Viscosity (mPa s) = 0.90852 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.806e-04 Mass of water (kg) = 1.000e+00 @@ -425,10 +425,10 @@ N2(g) 2.00 1.003e+02 0.975 4.310e+00 4.310e+00 4.261e-08 pH = 3.429 Charge balance pe = 4.001 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00472 Volume (L) = 1.00913 - Viscosity (mPa s) = 0.88882 + Viscosity (mPa s) = 0.90852 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.806e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/PR_equil2.out b/mytest/PR_equil2.out index d143a7f15..947f65d61 100644 --- a/mytest/PR_equil2.out +++ b/mytest/PR_equil2.out @@ -61,10 +61,10 @@ Initial solution 1. pH = 3.101 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 300 + Specific Conductance (µS/cm, 25°C) = 253 Density (g/cm³) = 1.01839 Volume (L) = 1.03114 - Viscosity (mPa s) = 0.88764 + Viscosity (mPa s) = 0.96226 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.165e-04 Mass of water (kg) = 1.000e+00 @@ -163,10 +163,10 @@ N2(g) 1.99 9.695e+01 1.193 4.896e+00 4.641e+00 -2.555e-01 pH = 5.928 Charge balance pe = -2.772 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48852 + Specific Conductance (µS/cm, 25°C) = 48045 Density (g/cm³) = 1.03152 Volume (L) = 1.02358 - Viscosity (mPa s) = 1.02171 + Viscosity (mPa s) = 1.50939 Activity of water = 0.969 Ionic strength (mol/kgw) = 5.157e-01 Mass of water (kg) = 9.840e-01 @@ -257,10 +257,10 @@ Initial solution 2. pH = 3.088 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 299 + Specific Conductance (µS/cm, 25°C) = 240 Density (g/cm³) = 1.01469 Volume (L) = 1.04817 - Viscosity (mPa s) = 0.88915 + Viscosity (mPa s) = 0.98822 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.429e-04 Mass of water (kg) = 1.000e+00 @@ -336,10 +336,10 @@ CO2(g) 2.00 1.000e+02 0.464 1.782e+01 1.782e+01 -4.698e-11 pH = 3.088 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 299 + Specific Conductance (µS/cm, 25°C) = 240 Density (g/cm³) = 1.01469 Volume (L) = 1.04817 - Viscosity (mPa s) = 0.88915 + Viscosity (mPa s) = 0.98822 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.429e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/PR_equil2_101.sel b/mytest/PR_equil2_101.sel index 262906725..fb928f59c 100644 --- a/mytest/PR_equil2_101.sel +++ b/mytest/PR_equil2_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.000816515014 300.6002777069 - 0.515682556903 48852.9473212089 - 0.000842862328 299.7258891192 - 0.000842862328 299.7258891193 + 0.000816515014 253.9667232214 + 0.515682556903 48045.8124501927 + 0.000842862328 240.5773706598 + 0.000842862328 240.5773706598 diff --git a/mytest/PR_equil_101.sel b/mytest/PR_equil_101.sel index f52fc4fa5..50d1d54c1 100644 --- a/mytest/PR_equil_101.sel +++ b/mytest/PR_equil_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.000379560194 146.0078944293 - 0.000379560194 146.0078944293 - 0.000332720731 128.5409657103 - 0.000380566364 146.4636562582 - 0.000380566365 146.4636566087 + 0.000379560194 139.4233790432 + 0.000379560194 139.4233790432 + 0.000332720731 124.0027889836 + 0.000380566364 139.8576932709 + 0.000380566365 139.8576935832 diff --git a/mytest/PR_error_incremental.out b/mytest/PR_error_incremental.out index cfbd6a18f..95c7a812d 100644 --- a/mytest/PR_error_incremental.out +++ b/mytest/PR_error_incremental.out @@ -191,10 +191,10 @@ CO2(g) 1.00 1.000e+01 0.945 4.334e-01 2.117e-01 -2.217e-01 pH = 3.424 Charge balance pe = 15.456 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00053 Volume (L) = 1.01362 - Viscosity (mPa s) = 0.89008 + Viscosity (mPa s) = 0.91270 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.852e-04 Mass of water (kg) = 1.000e+00 @@ -284,10 +284,10 @@ CO2(g) 1.00 1.000e+01 0.945 2.117e-01 2.117e-01 5.293e-14 pH = 3.424 Charge balance pe = 15.456 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00053 Volume (L) = 1.01362 - Viscosity (mPa s) = 0.89008 + Viscosity (mPa s) = 0.91270 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.852e-04 Mass of water (kg) = 1.000e+00 @@ -427,10 +427,10 @@ CO2(g) 1.00 1.000e+01 4.087e-01 6.804e-02 -3.407e-01 pH = 3.412 Charge balance pe = 2.748 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 150 + Specific Conductance (µS/cm, 25°C) = 142 Density (g/cm³) = 1.00071 Volume (L) = 1.01428 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.91401 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.963e-04 Mass of water (kg) = 1.000e+00 @@ -519,10 +519,10 @@ CO2(g) 1.00 1.000e+01 6.804e-02 6.804e-02 9.703e-14 pH = 3.412 Charge balance pe = 2.748 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 150 + Specific Conductance (µS/cm, 25°C) = 142 Density (g/cm³) = 1.00071 Volume (L) = 1.01428 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.91401 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.963e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/PR_mx_new.out b/mytest/PR_mx_new.out index 17a4489ff..7049961f8 100644 --- a/mytest/PR_mx_new.out +++ b/mytest/PR_mx_new.out @@ -178,7 +178,7 @@ N2(g) -0.73 1.877e-01 1.000 0.000e+00 7.682e-03 7.682e-03 Specific Conductance (µS/cm, 25°C) = 494 Density (g/cm³) = 0.99721 Volume (L) = 1.00314 - Viscosity (mPa s) = 0.89193 + Viscosity (mPa s) = 0.89502 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.380e-03 Mass of water (kg) = 9.998e-01 @@ -285,10 +285,10 @@ N2(g) 1.02 1.044e+01 0.999 7.682e-03 4.506e-01 4.429e-01 pH = 6.011 Charge balance pe = -2.830 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10666 + Specific Conductance (µS/cm, 25°C) = 10616 Density (g/cm³) = 1.00337 Volume (L) = 1.00975 - Viscosity (mPa s) = 0.92572 + Viscosity (mPa s) = 1.03372 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.060e-01 Mass of water (kg) = 9.966e-01 @@ -395,10 +395,10 @@ N2(g) 1.30 2.004e+01 1.003 4.506e-01 9.104e-01 4.598e-01 pH = 5.955 Charge balance pe = -2.774 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 17223 + Specific Conductance (µS/cm, 25°C) = 17094 Density (g/cm³) = 1.00796 Volume (L) = 1.01458 - Viscosity (mPa s) = 0.94714 + Viscosity (mPa s) = 1.13185 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.761e-01 Mass of water (kg) = 9.944e-01 @@ -505,10 +505,10 @@ N2(g) 1.46 2.897e+01 1.013 9.104e-01 1.378e+00 4.680e-01 pH = 5.932 Charge balance pe = -2.754 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 22289 + Specific Conductance (µS/cm, 25°C) = 22078 Density (g/cm³) = 1.01163 Volume (L) = 1.01793 - Viscosity (mPa s) = 0.96283 + Viscosity (mPa s) = 1.20631 Activity of water = 0.984 Ionic strength (mol/kgw) = 2.312e-01 Mass of water (kg) = 9.927e-01 @@ -615,10 +615,10 @@ N2(g) 1.57 3.745e+01 1.026 1.378e+00 1.852e+00 4.734e-01 pH = 5.924 Charge balance pe = -2.748 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 26433 + Specific Conductance (µS/cm, 25°C) = 26145 Density (g/cm³) = 1.01466 Volume (L) = 1.02012 - Viscosity (mPa s) = 0.97481 + Viscosity (mPa s) = 1.26391 Activity of water = 0.982 Ionic strength (mol/kgw) = 2.765e-01 Mass of water (kg) = 9.913e-01 @@ -725,10 +725,10 @@ N2(g) 1.66 4.573e+01 1.043 1.852e+00 2.329e+00 4.769e-01 pH = 5.924 Charge balance pe = -2.751 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30001 + Specific Conductance (µS/cm, 25°C) = 29642 Density (g/cm³) = 1.01726 Volume (L) = 1.02146 - Viscosity (mPa s) = 0.98435 + Viscosity (mPa s) = 1.30963 Activity of water = 0.979 Ionic strength (mol/kgw) = 3.153e-01 Mass of water (kg) = 9.901e-01 @@ -835,10 +835,10 @@ N2(g) 1.73 5.413e+01 1.061 2.329e+00 2.808e+00 4.789e-01 pH = 5.929 Charge balance pe = -2.759 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 33241 + Specific Conductance (µS/cm, 25°C) = 32814 Density (g/cm³) = 1.01961 Volume (L) = 1.02218 - Viscosity (mPa s) = 0.99229 + Viscosity (mPa s) = 1.34728 Activity of water = 0.977 Ionic strength (mol/kgw) = 3.502e-01 Mass of water (kg) = 9.890e-01 @@ -945,10 +945,10 @@ N2(g) 1.80 6.298e+01 1.080 2.808e+00 3.287e+00 4.798e-01 pH = 5.936 Charge balance pe = -2.771 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 36343 + Specific Conductance (µS/cm, 25°C) = 35850 Density (g/cm³) = 1.02185 Volume (L) = 1.02247 - Viscosity (mPa s) = 0.99921 + Viscosity (mPa s) = 1.37974 Activity of water = 0.976 Ionic strength (mol/kgw) = 3.833e-01 Mass of water (kg) = 9.880e-01 @@ -1055,10 +1055,10 @@ N2(g) 1.86 7.262e+01 1.101 3.287e+00 3.767e+00 4.798e-01 pH = 5.944 Charge balance pe = -2.784 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 39463 + Specific Conductance (µS/cm, 25°C) = 38901 Density (g/cm³) = 1.02411 Volume (L) = 1.02243 - Viscosity (mPa s) = 1.00551 + Viscosity (mPa s) = 1.40918 Activity of water = 0.974 Ionic strength (mol/kgw) = 4.161e-01 Mass of water (kg) = 9.870e-01 @@ -1165,10 +1165,10 @@ N2(g) 1.92 8.345e+01 1.122 3.767e+00 4.246e+00 4.790e-01 pH = 5.953 Charge balance pe = -2.797 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 42738 + Specific Conductance (µS/cm, 25°C) = 42104 Density (g/cm³) = 1.02649 Volume (L) = 1.02214 - Viscosity (mPa s) = 1.01144 + Viscosity (mPa s) = 1.43722 Activity of water = 0.973 Ionic strength (mol/kgw) = 4.503e-01 Mass of water (kg) = 9.859e-01 @@ -1275,10 +1275,10 @@ N2(g) 1.98 9.588e+01 1.145 4.246e+00 4.724e+00 4.775e-01 pH = 5.962 Charge balance pe = -2.812 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 46302 + Specific Conductance (µS/cm, 25°C) = 45588 Density (g/cm³) = 1.02909 Volume (L) = 1.02165 - Viscosity (mPa s) = 1.01718 + Viscosity (mPa s) = 1.46511 Activity of water = 0.971 Ionic strength (mol/kgw) = 4.871e-01 Mass of water (kg) = 9.848e-01 @@ -1385,10 +1385,10 @@ N2(g) 2.04 1.104e+02 1.170 4.724e+00 5.199e+00 4.753e-01 pH = 5.970 Charge balance pe = -2.826 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 50295 + Specific Conductance (µS/cm, 25°C) = 49487 Density (g/cm³) = 1.03201 Volume (L) = 1.02095 - Viscosity (mPa s) = 1.02281 + Viscosity (mPa s) = 1.49380 Activity of water = 0.970 Ionic strength (mol/kgw) = 5.280e-01 Mass of water (kg) = 9.835e-01 @@ -1495,10 +1495,10 @@ N2(g) 2.11 1.276e+02 1.202 5.199e+00 5.671e+00 4.722e-01 pH = 5.978 Charge balance pe = -2.840 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 54870 + Specific Conductance (µS/cm, 25°C) = 53952 Density (g/cm³) = 1.03535 Volume (L) = 1.02006 - Viscosity (mPa s) = 1.02833 + Viscosity (mPa s) = 1.52403 Activity of water = 0.968 Ionic strength (mol/kgw) = 5.745e-01 Mass of water (kg) = 9.821e-01 @@ -1605,10 +1605,10 @@ N2(g) 2.17 1.482e+02 1.241 5.671e+00 6.140e+00 4.683e-01 pH = 5.984 Charge balance pe = -2.853 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 60206 + Specific Conductance (µS/cm, 25°C) = 59155 Density (g/cm³) = 1.03922 Volume (L) = 1.01895 - Viscosity (mPa s) = 1.03366 + Viscosity (mPa s) = 1.55634 Activity of water = 0.966 Ionic strength (mol/kgw) = 6.287e-01 Mass of water (kg) = 9.804e-01 diff --git a/mytest/PR_mx_new_101.sel b/mytest/PR_mx_new_101.sel index ea9a877c4..535923782 100644 --- a/mytest/PR_mx_new_101.sel +++ b/mytest/PR_mx_new_101.sel @@ -1,16 +1,16 @@ Mu SC 0.000000100661 0.0546997340 - 0.004380395635 494.8851801418 - 0.106017851924 10666.5206379386 - 0.176101132697 17223.7807793400 - 0.231247965457 22289.2993226933 - 0.276522835873 26433.1049452678 - 0.315328158146 30001.5730908784 - 0.350237223458 33241.8561449236 - 0.383280216654 36343.8087936925 - 0.416130693937 39463.3029472992 - 0.450257246302 42738.5731434846 - 0.487053218396 46302.9282058639 - 0.527952159461 50295.3985981070 - 0.574537354408 54870.3087608608 - 0.628653283154 60206.3400570241 + 0.004380395635 494.8106095963 + 0.106017851924 10616.8766447544 + 0.176101132697 17094.9522737116 + 0.231247965457 22078.5729170346 + 0.276522835873 26145.1610446832 + 0.315328158146 29642.0112261489 + 0.350237223458 32814.6353458090 + 0.383280216654 35850.2893445090 + 0.416130693937 38901.8940919491 + 0.450257246302 42104.5201227785 + 0.487053218396 45588.0161122061 + 0.527952159461 49487.4572430359 + 0.574537354408 53952.4404601771 + 0.628653283154 59155.7972083991 diff --git a/mytest/P_CO2_Na2SO4.out b/mytest/P_CO2_Na2SO4.out index b9677c0c8..b1881f29e 100644 --- a/mytest/P_CO2_Na2SO4.out +++ b/mytest/P_CO2_Na2SO4.out @@ -68,10 +68,10 @@ Initial solution 1. pH = 6.842 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 140°C) = 425175 + Specific Conductance (µS/cm, 140°C) = 425174 Density (g/cm³) = 1.03719 Volume (L) = 1.10109 - Viscosity (mPa s) = 0.29533 + Viscosity (mPa s) = 0.29534 Activity of water = 0.967 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 @@ -163,10 +163,10 @@ H2O(g) 0.56 3.651e+00 0.928 0.000e+00 1.119e-01 1.119e-01 pH = 4.678 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 421134 + Specific Conductance (µS/cm, 140°C) = 422487 Density (g/cm³) = 1.03748 Volume (L) = 1.10146 - Viscosity (mPa s) = 0.29541 + Viscosity (mPa s) = 0.29436 Activity of water = 0.966 Ionic strength (mol/kgw) = 3.003e+00 Mass of water (kg) = 9.979e-01 @@ -265,10 +265,10 @@ H2O(g) 0.58 3.840e+00 0.886 0.000e+00 1.201e-01 1.201e-01 pH = 4.535 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 417197 + Specific Conductance (µS/cm, 140°C) = 419610 Density (g/cm³) = 1.03754 Volume (L) = 1.10358 - Viscosity (mPa s) = 0.29541 + Viscosity (mPa s) = 0.29353 Activity of water = 0.964 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.978e-01 @@ -367,10 +367,10 @@ H2O(g) 0.61 4.035e+00 0.847 0.000e+00 1.288e-01 1.288e-01 pH = 4.455 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 413451 + Specific Conductance (µS/cm, 140°C) = 416709 Density (g/cm³) = 1.03760 Volume (L) = 1.10550 - Viscosity (mPa s) = 0.29543 + Viscosity (mPa s) = 0.29288 Activity of water = 0.963 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.976e-01 @@ -469,10 +469,10 @@ H2O(g) 0.63 4.236e+00 0.811 0.000e+00 1.380e-01 1.380e-01 pH = 4.400 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 409881 + Specific Conductance (µS/cm, 140°C) = 413818 Density (g/cm³) = 1.03767 Volume (L) = 1.10724 - Viscosity (mPa s) = 0.29547 + Viscosity (mPa s) = 0.29236 Activity of water = 0.962 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.974e-01 @@ -571,10 +571,10 @@ H2O(g) 0.65 4.444e+00 0.777 0.000e+00 1.477e-01 1.477e-01 pH = 4.360 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 406470 + Specific Conductance (µS/cm, 140°C) = 410959 Density (g/cm³) = 1.03774 Volume (L) = 1.10880 - Viscosity (mPa s) = 0.29551 + Viscosity (mPa s) = 0.29194 Activity of water = 0.961 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.972e-01 @@ -673,10 +673,10 @@ H2O(g) 0.67 4.660e+00 0.744 0.000e+00 1.578e-01 1.578e-01 pH = 4.328 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 403201 + Specific Conductance (µS/cm, 140°C) = 408143 Density (g/cm³) = 1.03782 Volume (L) = 1.11021 - Viscosity (mPa s) = 0.29556 + Viscosity (mPa s) = 0.29159 Activity of water = 0.960 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.970e-01 @@ -775,10 +775,10 @@ H2O(g) 0.69 4.883e+00 0.713 0.000e+00 1.684e-01 1.684e-01 pH = 4.301 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 400060 + Specific Conductance (µS/cm, 140°C) = 405376 Density (g/cm³) = 1.03790 Volume (L) = 1.11149 - Viscosity (mPa s) = 0.29562 + Viscosity (mPa s) = 0.29131 Activity of water = 0.959 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.968e-01 @@ -877,10 +877,10 @@ H2O(g) 0.71 5.114e+00 0.684 0.000e+00 1.795e-01 1.795e-01 pH = 4.279 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 397031 + Specific Conductance (µS/cm, 140°C) = 402657 Density (g/cm³) = 1.03798 Volume (L) = 1.11264 - Viscosity (mPa s) = 0.29567 + Viscosity (mPa s) = 0.29108 Activity of water = 0.958 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.966e-01 @@ -979,10 +979,10 @@ H2O(g) 0.73 5.353e+00 0.657 0.000e+00 1.911e-01 1.911e-01 pH = 4.260 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 394101 + Specific Conductance (µS/cm, 140°C) = 399985 Density (g/cm³) = 1.03806 Volume (L) = 1.11367 - Viscosity (mPa s) = 0.29573 + Viscosity (mPa s) = 0.29089 Activity of water = 0.957 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 9.964e-01 @@ -1081,10 +1081,10 @@ H2O(g) 0.75 5.601e+00 0.630 0.000e+00 2.031e-01 2.031e-01 pH = 4.244 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 391255 + Specific Conductance (µS/cm, 140°C) = 397355 Density (g/cm³) = 1.03815 Volume (L) = 1.11460 - Viscosity (mPa s) = 0.29579 + Viscosity (mPa s) = 0.29074 Activity of water = 0.957 Ionic strength (mol/kgw) = 3.003e+00 Mass of water (kg) = 9.962e-01 @@ -1170,7 +1170,7 @@ Initial solution 1. pH = 6.900 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 140°C) = 632071 + Specific Conductance (µS/cm, 140°C) = 632069 Density (g/cm³) = 1.13133 Volume (L) = 1.13503 Viscosity (mPa s) = 0.40897 @@ -1265,10 +1265,10 @@ H2O(g) 0.55 3.546e+00 0.926 0.000e+00 1.087e-01 1.087e-01 pH = 4.621 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 627840 + Specific Conductance (µS/cm, 140°C) = 628738 Density (g/cm³) = 1.13190 Volume (L) = 1.13449 - Viscosity (mPa s) = 0.40933 + Viscosity (mPa s) = 0.40869 Activity of water = 0.937 Ionic strength (mol/kgw) = 6.008e+00 Mass of water (kg) = 9.980e-01 @@ -1367,10 +1367,10 @@ H2O(g) 0.57 3.739e+00 0.883 0.000e+00 1.171e-01 1.171e-01 pH = 4.479 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 623789 + Specific Conductance (µS/cm, 140°C) = 625454 Density (g/cm³) = 1.13208 Volume (L) = 1.13569 - Viscosity (mPa s) = 0.40945 + Viscosity (mPa s) = 0.40824 Activity of water = 0.936 Ionic strength (mol/kgw) = 6.007e+00 Mass of water (kg) = 9.978e-01 @@ -1469,10 +1469,10 @@ H2O(g) 0.60 3.936e+00 0.843 0.000e+00 1.260e-01 1.260e-01 pH = 4.399 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 619940 + Specific Conductance (µS/cm, 140°C) = 622263 Density (g/cm³) = 1.13226 Volume (L) = 1.13673 - Viscosity (mPa s) = 0.40959 + Viscosity (mPa s) = 0.40791 Activity of water = 0.934 Ionic strength (mol/kgw) = 6.007e+00 Mass of water (kg) = 9.976e-01 @@ -1571,10 +1571,10 @@ H2O(g) 0.62 4.141e+00 0.806 0.000e+00 1.353e-01 1.353e-01 pH = 4.345 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 616275 + Specific Conductance (µS/cm, 140°C) = 619168 Density (g/cm³) = 1.13245 Volume (L) = 1.13763 - Viscosity (mPa s) = 0.40976 + Viscosity (mPa s) = 0.40765 Activity of water = 0.933 Ionic strength (mol/kgw) = 6.007e+00 Mass of water (kg) = 9.974e-01 @@ -1673,10 +1673,10 @@ H2O(g) 0.64 4.352e+00 0.771 0.000e+00 1.451e-01 1.451e-01 pH = 4.304 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 612776 + Specific Conductance (µS/cm, 140°C) = 616166 Density (g/cm³) = 1.13264 Volume (L) = 1.13841 - Viscosity (mPa s) = 0.40994 + Viscosity (mPa s) = 0.40745 Activity of water = 0.933 Ionic strength (mol/kgw) = 6.007e+00 Mass of water (kg) = 9.972e-01 @@ -1775,10 +1775,10 @@ H2O(g) 0.66 4.570e+00 0.737 0.000e+00 1.554e-01 1.554e-01 pH = 4.273 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 609425 + Specific Conductance (µS/cm, 140°C) = 613250 Density (g/cm³) = 1.13283 Volume (L) = 1.13908 - Viscosity (mPa s) = 0.41012 + Viscosity (mPa s) = 0.40730 Activity of water = 0.932 Ionic strength (mol/kgw) = 6.008e+00 Mass of water (kg) = 9.970e-01 @@ -1877,10 +1877,10 @@ H2O(g) 0.68 4.796e+00 0.706 0.000e+00 1.661e-01 1.661e-01 pH = 4.247 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 606204 + Specific Conductance (µS/cm, 140°C) = 610413 Density (g/cm³) = 1.13302 Volume (L) = 1.13965 - Viscosity (mPa s) = 0.41031 + Viscosity (mPa s) = 0.40719 Activity of water = 0.931 Ionic strength (mol/kgw) = 6.008e+00 Mass of water (kg) = 9.968e-01 @@ -1979,10 +1979,10 @@ H2O(g) 0.70 5.029e+00 0.677 0.000e+00 1.773e-01 1.773e-01 pH = 4.225 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 603097 + Specific Conductance (µS/cm, 140°C) = 607645 Density (g/cm³) = 1.13322 Volume (L) = 1.14014 - Viscosity (mPa s) = 0.41050 + Viscosity (mPa s) = 0.40711 Activity of water = 0.930 Ionic strength (mol/kgw) = 6.009e+00 Mass of water (kg) = 9.966e-01 @@ -2081,10 +2081,10 @@ H2O(g) 0.72 5.270e+00 0.649 0.000e+00 1.890e-01 1.890e-01 pH = 4.206 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 600086 + Specific Conductance (µS/cm, 140°C) = 604938 Density (g/cm³) = 1.13342 Volume (L) = 1.14055 - Viscosity (mPa s) = 0.41069 + Viscosity (mPa s) = 0.40705 Activity of water = 0.930 Ionic strength (mol/kgw) = 6.010e+00 Mass of water (kg) = 9.964e-01 @@ -2183,10 +2183,10 @@ H2O(g) 0.74 5.519e+00 0.622 0.000e+00 2.011e-01 2.011e-01 pH = 4.190 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 597158 + Specific Conductance (µS/cm, 140°C) = 602281 Density (g/cm³) = 1.13362 Volume (L) = 1.14088 - Viscosity (mPa s) = 0.41088 + Viscosity (mPa s) = 0.40702 Activity of water = 0.929 Ionic strength (mol/kgw) = 6.011e+00 Mass of water (kg) = 9.961e-01 diff --git a/mytest/P_CO2_Na2SO4_101.sel b/mytest/P_CO2_Na2SO4_101.sel index 098158a10..7847bcdcd 100644 --- a/mytest/P_CO2_Na2SO4_101.sel +++ b/mytest/P_CO2_Na2SO4_101.sel @@ -1,23 +1,23 @@ Mu SC - 2.999977188125 425175.5985736381 - 3.002951997079 421134.9573342925 - 3.002201232106 417197.5652458549 - 3.001811380202 413451.8105760455 - 3.001626119799 409881.5358987752 - 3.001583267527 406470.1629183175 - 3.001650044971 403201.5783667839 - 3.001806412039 400060.3115534123 - 3.002038911591 397031.5575438321 - 3.002337895751 394101.1430125078 - 3.002696101946 391255.4668809643 - 5.999974691240 632071.6030540612 - 6.007567951325 627840.4867223185 - 6.006875475059 623789.9733927011 - 6.006694390260 619940.4381111353 - 6.006809328404 616275.6454982391 - 6.007134233446 612776.9440854290 - 6.007623600881 609425.8968608796 - 6.008249558121 606204.8523450299 - 6.008993370997 603097.0565147289 - 6.009841601545 600086.6172986093 - 6.010784126440 597158.4143667455 + 2.999977188125 425174.0724775512 + 3.002951997079 422487.0388552785 + 3.002201232106 419610.8903735341 + 3.001811380202 416709.5354645351 + 3.001626119799 413818.9741400986 + 3.001583267527 410959.9943692011 + 3.001650044971 408143.9780020184 + 3.001806412039 405376.0725470420 + 3.002038911591 402657.1663151250 + 3.002337895751 399985.1779236079 + 3.002696101946 397355.9197995666 + 5.999974691240 632069.3896508947 + 6.007567951325 628738.5006345983 + 6.006875475059 625454.5983869714 + 6.006694390260 622263.5661089837 + 6.006809328404 619168.6595222075 + 6.007134233446 616166.4325930553 + 6.007623600881 613250.5618736466 + 6.008249558121 610413.1761521968 + 6.008993370997 607645.4951469286 + 6.009841601545 604938.1781841805 + 6.010784126440 602281.5224410705 diff --git a/mytest/P_Vm.out b/mytest/P_Vm.out index b14959f58..555151363 100644 --- a/mytest/P_Vm.out +++ b/mytest/P_Vm.out @@ -176,7 +176,7 @@ H2O(g) -1.42 3.761e-02 0.838 0.000e+00 1.715e-03 1.715e-03 Specific Conductance (µS/cm, 25°C) = 190 Density (g/cm³) = 1.00795 Volume (L) = 1.01587 - Viscosity (mPa s) = 0.89002 + Viscosity (mPa s) = 0.89046 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.029e-04 Mass of water (kg) = 1.000e+00 @@ -270,7 +270,7 @@ H2O(g) -1.34 4.554e-02 0.696 1.715e-03 2.363e-03 6.476e-04 Specific Conductance (µS/cm, 25°C) = 245 Density (g/cm³) = 1.01562 Volume (L) = 1.02547 - Viscosity (mPa s) = 0.88987 + Viscosity (mPa s) = 0.89088 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.617e-04 Mass of water (kg) = 9.999e-01 @@ -361,10 +361,10 @@ H2O(g) -1.26 5.520e-02 0.577 2.363e-03 3.325e-03 9.625e-04 pH = 3.140 Charge balance pe = 14.894 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 274 + Specific Conductance (µS/cm, 25°C) = 273 Density (g/cm³) = 1.02044 Volume (L) = 1.03168 - Viscosity (mPa s) = 0.88973 + Viscosity (mPa s) = 0.89123 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.470e-04 Mass of water (kg) = 9.999e-01 @@ -455,10 +455,10 @@ H2O(g) -1.18 6.619e-02 0.484 3.325e-03 4.709e-03 1.384e-03 pH = 3.115 Charge balance pe = 14.915 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 287 Density (g/cm³) = 1.02310 Volume (L) = 1.03509 - Viscosity (mPa s) = 0.88963 + Viscosity (mPa s) = 0.89143 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.910e-04 Mass of water (kg) = 9.999e-01 @@ -549,10 +549,10 @@ H2O(g) -1.11 7.772e-02 0.413 4.709e-03 6.616e-03 1.907e-03 pH = 3.105 Charge balance pe = 14.977 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 294 + Specific Conductance (µS/cm, 25°C) = 293 Density (g/cm³) = 1.02432 Volume (L) = 1.03658 - Viscosity (mPa s) = 0.88956 + Viscosity (mPa s) = 0.89152 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.107e-04 Mass of water (kg) = 9.999e-01 @@ -643,10 +643,10 @@ H2O(g) -1.05 8.896e-02 0.361 6.616e-03 9.135e-03 2.518e-03 pH = 3.101 Charge balance pe = 14.999 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 296 + Specific Conductance (µS/cm, 25°C) = 295 Density (g/cm³) = 1.02470 Volume (L) = 1.03699 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89154 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.168e-04 Mass of water (kg) = 9.998e-01 @@ -737,10 +737,10 @@ H2O(g) -1.00 9.992e-02 0.322 9.135e-03 1.232e-02 3.182e-03 pH = 3.101 Charge balance pe = 15.028 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 296 + Specific Conductance (µS/cm, 25°C) = 295 Density (g/cm³) = 1.02471 Volume (L) = 1.03694 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89154 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.170e-04 Mass of water (kg) = 9.998e-01 @@ -831,10 +831,10 @@ H2O(g) -0.95 1.122e-01 0.287 1.232e-02 1.617e-02 3.854e-03 pH = 3.101 Charge balance pe = 15.013 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 296 + Specific Conductance (µS/cm, 25°C) = 295 Density (g/cm³) = 1.02469 Volume (L) = 1.03683 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89154 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.166e-04 Mass of water (kg) = 9.997e-01 @@ -925,10 +925,10 @@ H2O(g) -0.90 1.260e-01 0.255 1.617e-02 2.079e-02 4.621e-03 pH = 3.102 Charge balance pe = 15.023 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 296 + Specific Conductance (µS/cm, 25°C) = 294 Density (g/cm³) = 1.02464 Volume (L) = 1.03667 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89153 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.158e-04 Mass of water (kg) = 9.996e-01 @@ -1019,10 +1019,10 @@ H2O(g) -0.85 1.414e-01 0.228 2.079e-02 2.628e-02 5.486e-03 pH = 3.102 Charge balance pe = 15.049 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 295 + Specific Conductance (µS/cm, 25°C) = 294 Density (g/cm³) = 1.02459 Volume (L) = 1.03648 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89152 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.149e-04 Mass of water (kg) = 9.995e-01 @@ -1113,10 +1113,10 @@ H2O(g) -0.80 1.582e-01 0.203 2.628e-02 3.272e-02 6.442e-03 pH = 3.103 Charge balance pe = 15.047 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 295 + Specific Conductance (µS/cm, 25°C) = 294 Density (g/cm³) = 1.02454 Volume (L) = 1.03629 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89151 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.141e-04 Mass of water (kg) = 9.994e-01 @@ -1207,10 +1207,10 @@ H2O(g) -0.75 1.764e-01 0.182 3.272e-02 4.020e-02 7.479e-03 pH = 3.103 Charge balance pe = 15.033 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 295 + Specific Conductance (µS/cm, 25°C) = 294 Density (g/cm³) = 1.02452 Volume (L) = 1.03612 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89151 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.138e-04 Mass of water (kg) = 9.993e-01 @@ -1301,10 +1301,10 @@ H2O(g) -0.65 2.231e-01 0.145 4.020e-02 4.810e-02 7.900e-03 pH = 3.098 Charge balance pe = 15.053 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 298 + Specific Conductance (µS/cm, 25°C) = 297 Density (g/cm³) = 1.02515 Volume (L) = 1.03629 - Viscosity (mPa s) = 0.88942 + Viscosity (mPa s) = 0.89145 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.232e-04 Mass of water (kg) = 9.991e-01 @@ -1395,10 +1395,10 @@ H2O(g) -0.53 2.980e-01 0.110 4.810e-02 5.659e-02 8.494e-03 pH = 3.090 Charge balance pe = 15.044 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 304 + Specific Conductance (µS/cm, 25°C) = 302 Density (g/cm³) = 1.02615 Volume (L) = 1.03657 - Viscosity (mPa s) = 0.88923 + Viscosity (mPa s) = 0.89133 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.384e-04 Mass of water (kg) = 9.990e-01 @@ -1489,10 +1489,10 @@ H2O(g) -0.38 4.138e-01 0.081 5.659e-02 6.551e-02 8.917e-03 pH = 3.079 Charge balance pe = 15.065 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 311 + Specific Conductance (µS/cm, 25°C) = 310 Density (g/cm³) = 1.02758 Volume (L) = 1.03694 - Viscosity (mPa s) = 0.88896 + Viscosity (mPa s) = 0.89115 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.605e-04 Mass of water (kg) = 9.988e-01 @@ -1590,10 +1590,10 @@ H2O(g) -0.23 5.865e-01 0.059 6.551e-02 7.462e-02 9.112e-03 pH = 3.064 Charge balance pe = 16.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 322 + Specific Conductance (µS/cm, 25°C) = 321 Density (g/cm³) = 1.02949 Volume (L) = 1.03735 - Viscosity (mPa s) = 0.88859 + Viscosity (mPa s) = 0.89092 Activity of water = 0.974 Ionic strength (mol/kgw) = 8.912e-04 Mass of water (kg) = 9.986e-01 @@ -1691,10 +1691,10 @@ H2O(g) -0.08 8.348e-01 0.043 7.462e-02 8.365e-02 9.023e-03 pH = 3.044 Charge balance pe = 16.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 337 + Specific Conductance (µS/cm, 25°C) = 335 Density (g/cm³) = 1.03193 Volume (L) = 1.03774 - Viscosity (mPa s) = 0.88816 + Viscosity (mPa s) = 0.89066 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.329e-04 Mass of water (kg) = 9.985e-01 @@ -1792,10 +1792,10 @@ H2O(g) 0.07 1.181e+00 0.032 8.365e-02 9.224e-02 8.591e-03 pH = 3.019 Charge balance pe = 16.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 357 + Specific Conductance (µS/cm, 25°C) = 355 Density (g/cm³) = 1.03493 Volume (L) = 1.03796 - Viscosity (mPa s) = 0.88774 + Viscosity (mPa s) = 0.89045 Activity of water = 0.971 Ionic strength (mol/kgw) = 9.889e-04 Mass of water (kg) = 9.983e-01 @@ -1893,10 +1893,10 @@ H2O(g) 0.22 1.654e+00 0.025 9.224e-02 9.999e-02 7.753e-03 pH = 2.988 Charge balance pe = 16.213 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 385 + Specific Conductance (µS/cm, 25°C) = 382 Density (g/cm³) = 1.03850 Volume (L) = 1.03771 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 0.89046 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.064e-03 Mass of water (kg) = 9.982e-01 @@ -1994,10 +1994,10 @@ H2O(g) 0.36 2.290e+00 0.020 9.999e-02 1.064e-01 6.418e-03 pH = 2.948 Charge balance pe = 16.250 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 423 + Specific Conductance (µS/cm, 25°C) = 420 Density (g/cm³) = 1.04269 Volume (L) = 1.03633 - Viscosity (mPa s) = 0.88776 + Viscosity (mPa s) = 0.89106 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.169e-03 Mass of water (kg) = 9.981e-01 diff --git a/mytest/P_Vm_101.sel b/mytest/P_Vm_101.sel index 0a2b488bf..a193ddb9f 100644 --- a/mytest/P_Vm_101.sel +++ b/mytest/P_Vm_101.sel @@ -1,65 +1,65 @@ Mu SC 0.000000100661 0.0546997340 - 0.000502892689 190.5337876639 - 0.000661702808 245.8349249001 - 0.000746983874 274.0946461878 - 0.000791007045 288.2986473387 - 0.000810666688 294.5862122451 - 0.000816754305 296.5377669779 - 0.000816970209 296.6079918548 - 0.000816570199 296.4848679025 - 0.000815806804 296.2504034933 - 0.000814896322 295.9706769658 - 0.000814122585 295.7325923036 - 0.000813778832 295.6261089235 - 0.000823225689 298.8977154947 - 0.000838368432 304.1824628109 - 0.000860472310 311.9503303456 - 0.000891210128 322.8229377129 - 0.000932891178 337.6655427681 - 0.000988882861 357.7633829801 - 0.001064455439 385.1892322917 - 0.001168703175 423.6685160073 - 0.000000105388 0.0561383329 - 0.000000106740 0.0567760921 + 0.000502892689 190.3372037212 + 0.000661702808 245.2454047244 + 0.000746983874 273.1204111428 + 0.000791007045 287.0649982492 + 0.000810666688 293.2237925128 + 0.000816754305 295.1345318402 + 0.000816970209 295.2033587073 + 0.000816570199 295.0832350992 + 0.000815806804 294.8545175268 + 0.000814896322 294.5816242172 + 0.000814122585 294.3493114054 + 0.000813778832 294.2453472454 + 0.000823225689 297.4674927359 + 0.000838368432 302.6740964910 + 0.000860472310 310.3285595163 + 0.000891210128 321.0429954304 + 0.000932891178 335.6685784522 + 0.000988882861 355.4688107952 + 0.001064455439 382.4807814193 + 0.001168703175 420.3655352710 + 0.000000105388 0.0561383328 + 0.000000106740 0.0567760920 0.000000107835 0.0573428434 0.000000108805 0.0578745160 - 0.000000109709 0.0583887586 + 0.000000109709 0.0583887585 0.000000110578 0.0588983538 0.000000111439 0.0594143450 0.000000112312 0.0599471850 - 0.000000113217 0.0605073293 + 0.000000113217 0.0605073292 0.000000114170 0.0611056393 0.000000115192 0.0617537313 0.000000116303 0.0624643188 0.000000117523 0.0632515969 0.000000118878 0.0641316671 - 0.000000120396 0.0651230700 + 0.000000120396 0.0651230701 0.000000122107 0.0662474242 0.000000124052 0.0675302344 - 0.000000126274 0.0690019259 + 0.000000126274 0.0690019260 0.000000128829 0.0706991853 - 0.000000131785 0.0726667320 - 0.000000101679 0.0553380533 - 0.000000102750 0.0560135419 + 0.000000131785 0.0726667321 + 0.000000101679 0.0553380534 + 0.000000102750 0.0560135420 0.000000103824 0.0566949457 - 0.000000104913 0.0573887007 + 0.000000104913 0.0573887008 0.000000106027 0.0581010470 - 0.000000107175 0.0588381791 - 0.000000108368 0.0596063682 - 0.000000109616 0.0604121050 + 0.000000107175 0.0588381792 + 0.000000108368 0.0596063683 + 0.000000109616 0.0604121051 0.000000110929 0.0612622218 - 0.000000112318 0.0621640274 - 0.000000113795 0.0631254497 - 0.000000115375 0.0641551935 - 0.000000117071 0.0652629200 - 0.000000118901 0.0664594539 - 0.000000120883 0.0677570285 - 0.000000123038 0.0691695798 - 0.000000125392 0.0707131037 - 0.000000127974 0.0724060941 - 0.000000130816 0.0742700905 - 0.000000133961 0.0763303630 + 0.000000112318 0.0621640275 + 0.000000113795 0.0631254498 + 0.000000115375 0.0641551936 + 0.000000117071 0.0652629201 + 0.000000118901 0.0664594540 + 0.000000120883 0.0677570286 + 0.000000123038 0.0691695799 + 0.000000125392 0.0707131038 + 0.000000127974 0.0724060942 + 0.000000130816 0.0742700907 + 0.000000133961 0.0763303632 0.000273541092 107.0215341092 0.000372673190 139.9997588702 0.000438545983 159.2669491532 diff --git a/mytest/PercentSC.out b/mytest/PercentSC.out index 796480182..9274c8ac4 100644 --- a/mytest/PercentSC.out +++ b/mytest/PercentSC.out @@ -87,7 +87,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979) ----------------------------------User print----------------------------------- -Specific conductance: 52856.7 +Specific conductance: 52856.6 Species Percentage of SC Cl- 55.80 @@ -127,7 +127,7 @@ HSO4- 0.00 Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -186,7 +186,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.622e-20 O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40 S(6) 2.926e-02 diff --git a/mytest/PercentSC_101.sel b/mytest/PercentSC_101.sel index 96a59c589..9e3777907 100644 --- a/mytest/PercentSC_101.sel +++ b/mytest/PercentSC_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.670402506809 52856.7076292453 + 0.670402506809 52856.6430529688 diff --git a/mytest/Ruby_101.sel b/mytest/Ruby_101.sel index 85630550f..fa2a80c0c 100644 --- a/mytest/Ruby_101.sel +++ b/mytest/Ruby_101.sel @@ -1,10 +1,10 @@ Mu SC Viscosity 0.100000000000 39037.8163957789 0.8949866345 - 0.100000127116 12896.6147583315 0.8902305193 - 0.100000127935 10609.0359444543 0.8985395643 + 0.100000127116 12896.6147398138 0.8902305220 + 0.100000127935 10609.0359183574 0.8985395673 0.200000000000 75906.1553204265 0.8995933672 - 0.200000132605 24781.6725881915 0.8897436481 - 0.200000134161 20182.8319703881 0.9062510571 + 0.200000132605 24781.6725356966 0.8897436520 + 0.200000134161 20182.8319001066 0.9062510614 0.200000000000 42131.0191143932 0.9037215647 0.200000000000 53265.1936831904 0.9024177006 0.500000000000 178087.2436705413 0.9131832228 @@ -12,10 +12,10 @@ 0.500000000000 132863.0637012067 0.9031119775 0.500000000000 108878.9338043566 0.8981542282 0.500000000000 83959.7222863246 0.8932649318 - 0.500000136409 58097.3311623760 0.8884515332 - 0.500000137714 53481.8980070673 0.9044315717 - 0.500000138369 51119.5215282276 0.9127229931 - 0.500000139689 46282.9118502483 0.9299541633 + 0.500000136409 58097.3309670118 0.8884515394 + 0.500000137714 53481.8977922729 0.9044315782 + 0.500000138369 51119.5213038597 0.9127229997 + 0.500000139689 46282.9116070467 0.9299541700 0.500000000000 97110.9974136129 0.9232281770 0.500000000000 123444.8465943408 0.9199194480 0.500000000000 94709.6872226384 0.9101013827 @@ -24,12 +24,12 @@ 1.000000000000 248831.7718846419 0.9155394297 1.000000000000 205607.3933585908 0.9060065568 1.000000000000 159030.6590767232 0.8968414383 - 1.000000132166 109123.6045689772 0.8880445815 - 1.000000133141 104449.4592624217 0.9034869683 - 1.000000134121 99633.7012764526 0.9196927923 - 1.000000135105 94674.3758095566 0.9366934192 - 1.000000136093 89570.0530382275 0.9545177440 - 1.000000137086 84318.7575446503 0.9732095132 + 1.000000132166 109123.6040815901 0.8880445898 + 1.000000133141 104449.4587585224 0.9034869767 + 1.000000134121 99633.7007572908 0.9196928008 + 1.000000135105 94674.3752764055 0.9366934279 + 1.000000136093 89570.0524923744 0.9545177527 + 1.000000137086 84318.7569874028 0.9732095220 1.000000000000 127777.9082943134 0.9651463167 1.000000000000 173600.0715945044 0.9574166921 1.000000000000 221763.0419076402 0.9499842125 @@ -45,30 +45,30 @@ 2.000000000000 441439.9307609108 0.9418612493 2.000000000000 371009.7290130634 0.9246308840 2.000000000000 290048.7334082749 0.9089462664 - 2.000000115882 199154.3689622078 0.8947664168 - 2.000000116955 189469.6523334036 0.9251612044 - 2.000000118026 179229.7580865081 0.9584160984 - 2.000000119098 168440.8850878158 0.9946437131 - 2.000000120169 157114.9353111415 1.0339484961 - 2.000000121238 145262.4544013121 1.0764910717 + 2.000000115882 199154.3679093283 0.8947664267 + 2.000000116955 189469.6512737270 0.9251612144 + 2.000000118026 179229.7570267613 0.9584161085 + 2.000000119098 168440.8840343273 0.9946437233 + 2.000000120169 157114.9342697320 1.0339485064 + 2.000000121238 145262.4533773167 1.0764910822 2.000000000000 208849.4494742377 1.0547916213 2.000000000000 280942.7848939538 1.0344949983 2.000000000000 361667.2722384952 1.0155476341 2.000000000000 451098.6622749849 0.9978484045 3.000000000000 700751.6858806259 1.0279462446 - 3.000000098898 275105.1901039741 0.9115507639 - 3.000000102661 189438.0401010527 1.2036758316 + 3.000000098898 275105.1886490661 0.9115507740 + 3.000000102661 189438.0389060979 1.2036758420 4.000000000000 797528.8729247059 1.0764198240 4.000000000000 761982.5154155545 1.0359025345 4.000000000000 695235.5863441853 1.0022196093 4.000000000000 599200.4372351837 0.9748818947 4.000000000000 477950.1012369824 0.9536149210 - 4.000000083741 337897.9019093018 0.9381880849 - 4.000000084072 317785.6013685241 1.0003890238 - 4.000000084370 295713.9392158550 1.0728307234 - 4.000000084634 271884.4741810100 1.1559048757 - 4.000000084863 246515.8021154192 1.2499842593 - 4.000000085057 219798.2343040838 1.3556562500 + 4.000000083741 337897.9002416748 0.9381880946 + 4.000000084072 317785.5997805919 1.0003890335 + 4.000000084370 295713.9377254216 1.0728307331 + 4.000000084634 271884.4727997077 1.1559048854 + 4.000000084863 246515.8008492637 1.2499842690 + 4.000000085057 219798.2331547418 1.3556562597 4.000000000000 283743.7102240762 1.2900642828 4.000000000000 369621.9301041643 1.2294641741 4.000000000000 481329.1717610102 1.1737982840 diff --git a/mytest/SC_Ohm.out b/mytest/SC_Ohm.out index 78444dedb..1461c821d 100644 --- a/mytest/SC_Ohm.out +++ b/mytest/SC_Ohm.out @@ -96,7 +96,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -156,7 +155,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -252,7 +250,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -311,7 +308,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -371,7 +367,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -436,7 +431,6 @@ H(0) 1.303e-11 H2 6.517e-12 6.517e-12 -11.186 -11.186 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.008 -70.008 0.000 30.40 @@ -502,7 +496,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -562,7 +555,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.586 -40.586 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.240e-11 O2 6.202e-12 6.202e-12 -11.207 -11.207 0.000 30.40 @@ -648,7 +640,6 @@ H(0) 1.303e-11 H2 6.517e-12 6.517e-12 -11.186 -11.186 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.008 -70.008 0.000 30.40 @@ -708,7 +699,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -768,7 +758,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.586 -40.586 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.240e-11 O2 6.202e-12 6.202e-12 -11.207 -11.207 0.000 30.40 @@ -848,7 +837,6 @@ H(0) 2.601e-11 H2 1.300e-11 1.493e-11 -10.886 -10.826 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.806 -70.746 0.060 30.40 @@ -897,7 +885,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -1.343 Adjusted to redox equilibrium + pe = -1.342 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54376 Density (g/cm³) = 1.02090 Volume (L) = 1013.88417 @@ -908,7 +896,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.327e-06 + Electrical balance (eq) = -1.344e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+05 @@ -925,22 +913,21 @@ Reaction 1. Cl 6.001e-01 Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) -H(0) 6.839e-15 - H2 3.419e-15 3.926e-15 -14.466 -14.406 0.060 28.61 +H(0) 6.815e-15 + H2 3.408e-15 3.912e-15 -14.468 -14.408 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.646 -63.586 0.060 30.40 + O2 0.000e+00 0.000e+00 -63.643 -63.583 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.30 -14.41 -3.10 H2 + H2(g) -11.31 -14.41 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -60.69 -63.59 -2.89 O2 + O2(g) -60.69 -63.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1004,7 +991,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.777 -40.717 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.988e-18 -17.459 -17.399 0.060 (0) O(0) 1.890e-11 O2 9.449e-12 1.085e-11 -11.025 -10.965 0.060 30.40 @@ -1080,7 +1066,6 @@ H(0) 5.638e-08 H2 2.819e-08 3.716e-08 -7.550 -7.430 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 7.218e-18 9.516e-18 -17.142 -17.022 0.120 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -77.676 -77.556 0.120 30.40 @@ -1129,7 +1114,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.962 Charge balance - pe = 10.918 Adjusted to redox equilibrium + pe = 10.916 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98017 Density (g/cm³) = 1.04347 Volume (L) = 1025.55523 @@ -1140,7 +1125,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.327e-06 + Electrical balance (eq) = -1.344e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+05 @@ -1157,13 +1142,12 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.345e-09 2.705e-08 -8.079 -7.568 0.511 (0) -H(0) 1.862e-39 - H2 9.308e-40 1.227e-39 -39.031 -38.911 0.120 28.61 +H(0) 1.878e-39 + H2 9.390e-40 1.238e-39 -39.027 -38.907 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.036e-18 7.957e-18 -17.219 -17.099 0.120 (0) -O(0) 3.864e-15 - O2 1.932e-15 2.547e-15 -14.714 -14.594 0.120 30.40 +O(0) 3.797e-15 + O2 1.899e-15 2.503e-15 -14.722 -14.602 0.120 30.40 ------------------------------Saturation indices------------------------------- @@ -1172,7 +1156,7 @@ O(0) 3.864e-15 H2(g) -35.81 -38.91 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -11.70 -14.59 -2.89 O2 + O2(g) -11.71 -14.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1236,7 +1220,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.470 -42.350 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 5.047e-18 6.653e-18 -17.297 -17.177 0.120 (0) O(0) 2.913e-08 O2 1.456e-08 1.920e-08 -7.837 -7.717 0.120 30.40 @@ -1312,7 +1295,6 @@ H(0) 1.580e-07 H2 7.900e-08 1.196e-07 -7.102 -6.922 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 1.319e-17 1.996e-17 -16.880 -16.700 0.180 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -78.770 -78.590 0.180 30.40 @@ -1361,7 +1343,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = 10.979 Adjusted to redox equilibrium + pe = 10.977 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 134522 Density (g/cm³) = 1.06505 Volume (L) = 1037.69796 @@ -1372,7 +1354,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1389,13 +1371,12 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 HCl 6.871e-09 4.010e-08 -8.163 -7.397 0.766 (0) -H(0) 1.257e-39 - H2 6.285e-40 9.513e-40 -39.202 -39.022 0.180 28.61 +H(0) 1.268e-39 + H2 6.339e-40 9.595e-40 -39.198 -39.018 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.183e-18 1.239e-17 -17.087 -16.907 0.180 (0) -O(0) 5.365e-15 - O2 2.682e-15 4.060e-15 -14.571 -14.391 0.180 30.40 +O(0) 5.273e-15 + O2 2.636e-15 3.990e-15 -14.579 -14.399 0.180 30.40 ------------------------------Saturation indices------------------------------- @@ -1404,7 +1385,7 @@ O(0) 5.365e-15 H2(g) -35.92 -39.02 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.39 0.18 1.57 NaCl - O2(g) -11.50 -14.39 -2.89 O2 + O2(g) -11.51 -14.40 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1468,7 +1449,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.788 -42.608 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 5.073e-18 7.679e-18 -17.295 -17.115 0.180 (0) O(0) 7.994e-08 O2 3.997e-08 6.050e-08 -7.398 -7.218 0.180 30.40 @@ -1544,7 +1524,6 @@ H(0) 2.974e-07 H2 1.487e-07 2.584e-07 -6.828 -6.588 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 2.302e-17 4.000e-17 -16.638 -16.398 0.240 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -79.519 -79.279 0.240 30.40 @@ -1593,7 +1572,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = 11.053 Adjusted to redox equilibrium + pe = 11.049 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 164777 Density (g/cm³) = 1.08575 Volume (L) = 1050.21611 @@ -1604,7 +1583,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1621,22 +1600,21 @@ Reaction 1. Cl 2.400e+00 Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 HCl 5.080e-09 5.338e-08 -8.294 -7.273 1.021 (0) -H(0) 7.916e-40 - H2 3.958e-40 6.878e-40 -39.403 -39.163 0.240 28.61 +H(0) 8.051e-40 + H2 4.025e-40 6.995e-40 -39.395 -39.155 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 1.004e-17 1.745e-17 -16.998 -16.758 0.240 (0) -O(0) 8.553e-15 - O2 4.277e-15 7.432e-15 -14.369 -14.129 0.240 30.40 +O(0) 8.269e-15 + O2 4.135e-15 7.185e-15 -14.384 -14.144 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.06 -39.16 -3.10 H2 + H2(g) -36.05 -39.16 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.11 0.46 1.57 NaCl - O2(g) -11.24 -14.13 -2.89 O2 + O2(g) -11.25 -14.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1700,7 +1678,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.024 -42.784 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 4.371e-18 7.597e-18 -17.359 -17.119 0.240 (0) O(0) 1.496e-07 O2 7.482e-08 1.300e-07 -7.126 -6.886 0.240 30.40 @@ -1776,7 +1753,6 @@ H(0) 4.682e-07 H2 2.341e-07 4.671e-07 -6.631 -6.331 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 3.774e-17 7.530e-17 -16.423 -16.123 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.112 -79.812 0.300 30.40 @@ -1825,7 +1801,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = 11.115 Adjusted to redox equilibrium + pe = 11.111 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189441 Density (g/cm³) = 1.10562 Volume (L) = 1063.05481 @@ -1836,7 +1812,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1853,13 +1829,12 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.536e-09 6.688e-08 -8.452 -7.175 1.277 (0) -H(0) 5.218e-40 - H2 2.609e-40 5.206e-40 -39.584 -39.284 0.300 28.61 +H(0) 5.304e-40 + H2 2.652e-40 5.291e-40 -39.576 -39.276 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.168e-17 2.331e-17 -16.933 -16.632 0.300 (0) -O(0) 1.243e-14 - O2 6.217e-15 1.240e-14 -14.206 -13.906 0.300 30.40 +O(0) 1.204e-14 + O2 6.018e-15 1.201e-14 -14.221 -13.921 0.300 30.40 ------------------------------Saturation indices------------------------------- @@ -1868,7 +1843,7 @@ O(0) 1.243e-14 H2(g) -36.18 -39.28 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -11.01 -13.91 -2.89 O2 + O2(g) -11.03 -13.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1932,7 +1907,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.222 -42.922 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 3.604e-18 7.191e-18 -17.443 -17.143 0.300 (0) O(0) 2.350e-07 O2 1.175e-07 2.345e-07 -6.930 -6.630 0.300 30.40 @@ -2008,7 +1982,6 @@ H(0) 6.645e-07 H2 3.323e-07 7.612e-07 -6.479 -6.119 0.360 28.61 Na 3.600e+00 Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 - NaOH 5.761e-17 1.320e-16 -16.239 -15.879 0.360 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.616 -80.256 0.360 30.40 @@ -2057,7 +2030,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = 11.091 Adjusted to redox equilibrium + pe = 11.085 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 209133 Density (g/cm³) = 1.12472 Volume (L) = 1076.17734 @@ -2068,7 +2041,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2085,22 +2058,21 @@ Reaction 1. Cl 3.600e+00 Cl- 3.600e+00 2.094e+00 0.556 0.321 -0.235 19.68 HCl 2.366e-09 8.059e-08 -8.626 -7.094 1.532 (0) -H(0) 5.080e-40 - H2 2.540e-40 5.818e-40 -39.595 -39.235 0.360 28.61 +H(0) 5.205e-40 + H2 2.603e-40 5.962e-40 -39.585 -39.225 0.360 28.61 Na 3.600e+00 Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 - NaOH 1.314e-17 3.011e-17 -16.881 -16.521 0.360 (0) -O(0) 8.279e-15 - O2 4.140e-15 9.484e-15 -14.383 -14.023 0.360 30.40 +O(0) 7.884e-15 + O2 3.942e-15 9.031e-15 -14.404 -14.044 0.360 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.13 -39.24 -3.10 H2 + H2(g) -36.12 -39.22 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.67 0.90 1.57 NaCl - O2(g) -11.13 -14.02 -2.89 O2 + O2(g) -11.15 -14.04 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2164,7 +2136,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.398 -43.038 0.360 28.61 Na 3.600e+00 Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 - NaOH 2.985e-18 6.839e-18 -17.525 -17.165 0.360 (0) O(0) 3.332e-07 O2 1.666e-07 3.817e-07 -6.778 -6.418 0.360 30.40 @@ -2240,7 +2211,6 @@ H(0) 8.812e-07 H2 4.406e-07 1.159e-06 -6.356 -5.936 0.420 28.61 Na 4.200e+00 Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 - NaOH 8.248e-17 2.170e-16 -16.084 -15.664 0.420 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.062 -80.642 0.420 30.40 @@ -2289,7 +2259,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = 11.190 Adjusted to redox equilibrium + pe = 11.189 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 224461 Density (g/cm³) = 1.14309 Volume (L) = 1089.55681 @@ -2300,7 +2270,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2317,22 +2287,21 @@ Reaction 1. Cl 4.200e+00 Cl- 4.200e+00 2.461e+00 0.623 0.391 -0.232 19.80 HCl 1.541e-09 9.448e-08 -8.812 -7.025 1.788 (0) -H(0) 2.788e-40 - H2 1.394e-40 3.667e-40 -39.856 -39.436 0.420 28.61 +H(0) 2.800e-40 + H2 1.400e-40 3.683e-40 -39.854 -39.434 0.420 28.61 Na 4.200e+00 Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 - NaOH 1.445e-17 3.802e-17 -16.840 -16.420 0.420 (0) -O(0) 1.732e-14 - O2 8.659e-15 2.278e-14 -14.063 -13.643 0.420 30.40 +O(0) 1.717e-14 + O2 8.586e-15 2.258e-14 -14.066 -13.646 0.420 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.33 -39.44 -3.10 H2 + H2(g) -36.33 -39.43 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.49 1.08 1.57 NaCl - O2(g) -10.75 -13.64 -2.89 O2 + O2(g) -10.75 -13.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2396,7 +2365,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.559 -43.139 0.420 28.61 Na 4.200e+00 Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 - NaOH 2.520e-18 6.628e-18 -17.599 -17.179 0.420 (0) O(0) 4.416e-07 O2 2.208e-07 5.807e-07 -6.656 -6.236 0.420 30.40 @@ -2472,7 +2440,6 @@ H(0) 1.114e-06 H2 5.569e-07 1.682e-06 -6.254 -5.774 0.480 28.61 Na 4.800e+00 Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 - NaOH 1.120e-16 3.382e-16 -15.951 -15.471 0.480 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.466 -80.986 0.480 30.40 @@ -2521,7 +2488,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.234 Adjusted to redox equilibrium + pe = 11.235 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 236009 Density (g/cm³) = 1.16077 Volume (L) = 1103.17246 @@ -2532,7 +2499,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2550,12 +2517,11 @@ Cl 4.800e+00 Cl- 4.800e+00 2.841e+00 0.681 0.454 -0.228 19.90 HCl 9.833e-10 1.085e-07 -9.007 -6.964 2.043 (0) H(0) 0.000e+00 - H2 0.000e+00 2.960e-40 -40.009 -39.529 0.480 28.61 + H2 0.000e+00 2.948e-40 -40.010 -39.530 0.480 28.61 Na 4.800e+00 Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 - NaOH 1.563e-17 4.720e-17 -16.806 -16.326 0.480 (0) -O(0) 2.206e-14 - O2 1.103e-14 3.331e-14 -13.957 -13.477 0.480 30.40 +O(0) 2.224e-14 + O2 1.112e-14 3.359e-14 -13.954 -13.474 0.480 30.40 ------------------------------Saturation indices------------------------------- @@ -2564,7 +2530,7 @@ O(0) 2.206e-14 H2(g) -36.43 -39.53 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.33 1.24 1.57 NaCl - O2(g) -10.59 -13.48 -2.89 O2 + O2(g) -10.58 -13.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2628,7 +2594,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.710 -43.230 0.480 28.61 Na 4.800e+00 Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 - NaOH 2.169e-18 6.549e-18 -17.664 -17.184 0.480 (0) O(0) 5.579e-07 O2 2.789e-07 8.424e-07 -6.555 -6.074 0.480 30.40 @@ -2704,7 +2669,6 @@ H(0) 1.358e-06 H2 6.792e-07 2.355e-06 -6.168 -5.628 0.540 28.61 Na 5.400e+00 Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 - NaOH 1.457e-16 5.052e-16 -15.837 -15.297 0.540 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.840 -81.300 0.540 30.40 @@ -2753,7 +2717,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 11.254 Adjusted to redox equilibrium + pe = 11.253 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 244323 Density (g/cm³) = 1.17779 Volume (L) = 1117.00761 @@ -2764,7 +2728,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2782,12 +2746,11 @@ Cl 5.400e+00 Cl- 5.400e+00 3.235e+00 0.732 0.510 -0.222 20.00 HCl 6.179e-10 1.228e-07 -9.209 -6.911 2.298 (0) H(0) 0.000e+00 - H2 0.000e+00 2.669e-40 -40.114 -39.574 0.540 28.61 + H2 0.000e+00 2.681e-40 -40.112 -39.572 0.540 28.61 Na 5.400e+00 Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 - NaOH 1.668e-17 5.784e-17 -16.778 -16.238 0.540 (0) -O(0) 2.249e-14 - O2 1.125e-14 3.900e-14 -13.949 -13.409 0.540 30.40 +O(0) 2.230e-14 + O2 1.115e-14 3.866e-14 -13.953 -13.413 0.540 30.40 ------------------------------Saturation indices------------------------------- @@ -2860,7 +2823,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.854 -43.314 0.540 28.61 Na 5.400e+00 Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 - NaOH 1.898e-18 6.581e-18 -17.722 -17.182 0.540 (0) O(0) 6.802e-07 O2 3.401e-07 1.179e-06 -6.468 -5.928 0.540 30.40 @@ -2936,7 +2898,6 @@ H(0) 1.612e-06 H2 8.058e-07 3.208e-06 -6.094 -5.494 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.831e-16 7.290e-16 -15.737 -15.137 0.600 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -82.191 -81.591 0.600 30.40 @@ -2985,7 +2946,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = 11.309 Adjusted to redox equilibrium + pe = 11.307 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249901 Density (g/cm³) = 1.19417 Volume (L) = 1131.04845 @@ -2996,7 +2957,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -3014,12 +2975,11 @@ Cl 6.000e+00 Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 HCl 3.835e-10 1.372e-07 -9.416 -6.863 2.554 (0) H(0) 0.000e+00 - H2 0.000e+00 2.041e-40 -40.290 -39.690 0.600 28.61 + H2 0.000e+00 2.055e-40 -40.287 -39.687 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.762e-17 7.013e-17 -16.754 -16.154 0.600 (0) -O(0) 3.185e-14 - O2 1.593e-14 6.340e-14 -13.798 -13.198 0.600 30.40 +O(0) 3.142e-14 + O2 1.571e-14 6.255e-14 -13.804 -13.204 0.600 30.40 ------------------------------Saturation indices------------------------------- @@ -3092,7 +3052,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.992 -43.392 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.684e-18 6.704e-18 -17.774 -17.174 0.600 (0) O(0) 8.068e-07 O2 4.034e-07 1.606e-06 -6.394 -5.794 0.600 30.40 @@ -3168,7 +3127,6 @@ H(0) 1.871e-06 H2 9.353e-07 4.275e-06 -6.029 -5.369 0.660 28.61 Na 6.600e+00 Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 - NaOH 2.237e-16 1.022e-15 -15.650 -14.990 0.660 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -82.523 -81.863 0.660 30.40 @@ -3217,7 +3175,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = 11.334 Adjusted to redox equilibrium + pe = 11.332 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 253190 Density (g/cm³) = 1.20994 Volume (L) = 1145.28333 @@ -3228,7 +3186,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.304e-06 + Electrical balance (eq) = -1.321e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+05 @@ -3246,21 +3204,20 @@ Cl 6.600e+00 Cl- 6.600e+00 4.067e+00 0.820 0.609 -0.210 20.18 HCl 2.357e-10 1.518e-07 -9.628 -6.819 2.809 (0) H(0) 0.000e+00 - H2 0.000e+00 1.789e-40 -40.407 -39.747 0.660 28.61 + H2 0.000e+00 1.800e-40 -40.405 -39.745 0.660 28.61 Na 6.600e+00 Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 - NaOH 1.845e-17 8.431e-17 -16.734 -16.074 0.660 (0) -O(0) 3.428e-14 - O2 1.714e-14 7.835e-14 -13.766 -13.106 0.660 30.40 +O(0) 3.386e-14 + O2 1.693e-14 7.739e-14 -13.771 -13.111 0.660 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.65 -39.75 -3.10 H2 + H2(g) -36.64 -39.74 -3.10 H2 H2O(g) -1.61 -0.11 1.50 H2O Halite 0.11 1.68 1.57 NaCl - O2(g) -10.21 -13.11 -2.89 O2 + O2(g) -10.22 -13.11 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3324,7 +3281,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.126 -43.466 0.660 28.61 Na 6.600e+00 Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 - NaOH 1.511e-18 6.906e-18 -17.821 -17.161 0.660 (0) O(0) 9.363e-07 O2 4.681e-07 2.140e-06 -6.330 -5.670 0.660 30.40 @@ -3408,7 +3364,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3468,7 +3423,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3559,7 +3513,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3619,7 +3572,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3679,7 +3631,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3756,7 +3707,6 @@ H(0) 1.319e-11 H2 6.595e-12 6.595e-12 -11.181 -11.181 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.018 -70.018 0.000 30.40 @@ -3834,7 +3784,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3906,7 +3855,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.587 -40.587 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.244e-11 O2 6.222e-12 6.222e-12 -11.206 -11.206 0.000 30.40 @@ -3992,7 +3940,6 @@ H(0) 1.319e-11 H2 6.595e-12 6.595e-12 -11.181 -11.181 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.018 -70.018 0.000 30.40 @@ -4052,7 +3999,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -4112,7 +4058,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.587 -40.587 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.244e-11 O2 6.222e-12 6.222e-12 -11.206 -11.206 0.000 30.40 @@ -4192,7 +4137,6 @@ H(0) 2.635e-11 H2 1.317e-11 1.412e-11 -10.880 -10.850 0.030 28.61 Na 3.001e-01 Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.948e-18 2.087e-18 -17.710 -17.680 0.030 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.718 -70.688 0.030 30.40 @@ -4241,7 +4185,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -1.334 Adjusted to redox equilibrium + pe = -1.333 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29250 Density (g/cm³) = 1.00917 Volume (L) = 1008.28815 @@ -4269,13 +4213,12 @@ Reaction 1. Cl 3.001e-01 Cl- 3.001e-01 2.058e-01 -0.523 -0.687 -0.164 18.55 HCl 5.557e-09 7.458e-09 -8.255 -8.127 0.128 (0) -H(0) 6.795e-15 - H2 3.398e-15 3.641e-15 -14.469 -14.439 0.030 28.61 +H(0) 6.778e-15 + H2 3.389e-15 3.631e-15 -14.470 -14.440 0.030 28.61 Na 3.001e-01 Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.948e-18 2.087e-18 -17.711 -17.681 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.541 -63.511 0.030 30.40 + O2 0.000e+00 0.000e+00 -63.539 -63.509 0.030 30.40 ------------------------------Saturation indices------------------------------- @@ -4348,7 +4291,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.728 -40.698 0.030 28.61 Na 3.001e-01 Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.947e-18 2.087e-18 -17.711 -17.681 0.030 (0) O(0) 1.901e-11 O2 9.505e-12 1.018e-11 -11.022 -10.992 0.030 30.40 @@ -4424,7 +4366,6 @@ H(0) 3.935e-08 H2 1.968e-08 2.259e-08 -7.706 -7.646 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.961e-18 4.548e-18 -17.402 -17.342 0.060 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -77.166 -77.106 0.060 30.40 @@ -4473,7 +4414,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 10.889 Adjusted to redox equilibrium + pe = 10.890 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54376 Density (g/cm³) = 1.02090 Volume (L) = 1013.88417 @@ -4501,13 +4442,12 @@ Reaction 1. Cl 6.001e-01 Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) -H(0) 2.351e-39 - H2 1.175e-39 1.350e-39 -38.930 -38.870 0.060 28.61 +H(0) 2.340e-39 + H2 1.170e-39 1.343e-39 -38.932 -38.872 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) -O(0) 3.826e-15 - O2 1.913e-15 2.196e-15 -14.718 -14.658 0.060 30.40 +O(0) 3.863e-15 + O2 1.931e-15 2.218e-15 -14.714 -14.654 0.060 30.40 ------------------------------Saturation indices------------------------------- @@ -4516,7 +4456,7 @@ O(0) 3.826e-15 H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -11.77 -14.66 -2.89 O2 + O2(g) -11.76 -14.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4580,7 +4520,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.286 -42.226 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.047e-18 3.498e-18 -17.516 -17.456 0.060 (0) O(0) 1.975e-08 O2 9.875e-09 1.134e-08 -8.005 -7.945 0.060 30.40 @@ -4656,7 +4595,6 @@ H(0) 1.180e-07 H2 5.900e-08 7.259e-08 -7.229 -7.139 0.090 28.61 Na 9.001e-01 Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 7.002e-18 8.615e-18 -17.155 -17.065 0.090 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -78.219 -78.129 0.090 30.40 @@ -4705,7 +4643,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 11.032 Adjusted to redox equilibrium + pe = 11.033 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77171 Density (g/cm³) = 1.03232 Volume (L) = 1019.65161 @@ -4733,13 +4671,12 @@ Reaction 1. Cl 9.001e-01 Cl- 9.001e-01 5.528e-01 -0.046 -0.257 -0.212 18.90 HCl 8.521e-09 2.059e-08 -8.070 -7.686 0.383 (0) -H(0) 1.158e-39 - H2 5.792e-40 7.125e-40 -39.237 -39.147 0.090 28.61 +H(0) 1.157e-39 + H2 5.784e-40 7.116e-40 -39.238 -39.148 0.090 28.61 Na 9.001e-01 Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 4.819e-18 5.929e-18 -17.317 -17.227 0.090 (0) -O(0) 1.254e-14 - O2 6.271e-15 7.716e-15 -14.203 -14.113 0.090 30.40 +O(0) 1.258e-14 + O2 6.288e-15 7.736e-15 -14.201 -14.111 0.090 30.40 ------------------------------Saturation indices------------------------------- @@ -4812,7 +4749,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.574 -42.484 0.090 28.61 Na 9.001e-01 Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 3.315e-18 4.079e-18 -17.479 -17.389 0.090 (0) O(0) 5.908e-08 O2 2.954e-08 3.634e-08 -7.530 -7.440 0.090 30.40 @@ -4888,7 +4824,6 @@ H(0) 2.358e-07 H2 1.179e-07 1.554e-07 -6.928 -6.808 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 1.208e-17 1.593e-17 -16.918 -16.798 0.120 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -78.919 -78.799 0.120 30.40 @@ -4937,7 +4872,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.962 Charge balance - pe = 11.012 Adjusted to redox equilibrium + pe = 11.013 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98017 Density (g/cm³) = 1.04347 Volume (L) = 1025.55523 @@ -4965,13 +4900,12 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.345e-09 2.705e-08 -8.079 -7.568 0.511 (0) -H(0) 1.209e-39 - H2 6.043e-40 7.966e-40 -39.219 -39.099 0.120 28.61 +H(0) 1.201e-39 + H2 6.005e-40 7.917e-40 -39.221 -39.101 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.036e-18 7.957e-18 -17.219 -17.099 0.120 (0) -O(0) 9.170e-15 - O2 4.585e-15 6.044e-15 -14.339 -14.219 0.120 30.40 +O(0) 9.284e-15 + O2 4.642e-15 6.120e-15 -14.333 -14.213 0.120 30.40 ------------------------------Saturation indices------------------------------- @@ -4980,7 +4914,7 @@ O(0) 9.170e-15 H2(g) -36.00 -39.10 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -11.33 -14.22 -2.89 O2 + O2(g) -11.32 -14.21 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5044,7 +4978,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.774 -42.654 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 3.011e-18 3.969e-18 -17.521 -17.401 0.120 (0) O(0) 1.180e-07 O2 5.900e-08 7.777e-08 -7.229 -7.109 0.120 30.40 @@ -5090,7 +5023,7 @@ Reaction 0. pH = 7.411 Charge balance pe = -5.708 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 117096 + Specific Conductance (µS/cm, 25°C) = 117095 Density (g/cm³) = 1.05438 Volume (L) = 1031.57510 Viscosity (mPa s) = 1.02195 @@ -5120,7 +5053,6 @@ H(0) 3.929e-07 H2 1.965e-07 2.775e-07 -6.707 -6.557 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 2.024e-17 2.859e-17 -16.694 -16.544 0.150 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -79.462 -79.312 0.150 30.40 @@ -5197,13 +5129,12 @@ Reaction 1. Cl 1.500e+00 Cl- 1.500e+00 8.866e-01 0.176 -0.052 -0.228 19.14 HCl 7.713e-09 3.355e-08 -8.113 -7.474 0.638 (0) -H(0) 1.018e-39 - H2 5.092e-40 7.193e-40 -39.293 -39.143 0.150 28.61 +H(0) 1.020e-39 + H2 5.099e-40 7.202e-40 -39.293 -39.143 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 7.151e-18 1.010e-17 -17.146 -16.996 0.150 (0) -O(0) 1.027e-14 - O2 5.137e-15 7.257e-15 -14.289 -14.139 0.150 30.40 +O(0) 1.025e-14 + O2 5.124e-15 7.238e-15 -14.290 -14.140 0.150 30.40 ------------------------------Saturation indices------------------------------- @@ -5276,7 +5207,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.934 -42.784 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 2.519e-18 3.559e-18 -17.599 -17.449 0.150 (0) O(0) 1.965e-07 O2 9.827e-08 1.388e-07 -7.008 -6.858 0.150 30.40 @@ -5352,7 +5282,6 @@ H(0) 5.893e-07 H2 2.946e-07 4.460e-07 -6.531 -6.351 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 3.228e-17 4.886e-17 -16.491 -16.311 0.180 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -79.913 -79.733 0.180 30.40 @@ -5401,7 +5330,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = 11.048 Adjusted to redox equilibrium + pe = 11.047 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 134522 Density (g/cm³) = 1.06505 Volume (L) = 1037.69796 @@ -5429,13 +5358,12 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 HCl 6.871e-09 4.010e-08 -8.163 -7.397 0.766 (0) -H(0) 9.140e-40 - H2 4.570e-40 6.917e-40 -39.340 -39.160 0.180 28.61 +H(0) 9.188e-40 + H2 4.594e-40 6.954e-40 -39.338 -39.158 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.183e-18 1.239e-17 -17.087 -16.907 0.180 (0) -O(0) 1.015e-14 - O2 5.074e-15 7.679e-15 -14.295 -14.115 0.180 30.40 +O(0) 1.004e-14 + O2 5.020e-15 7.598e-15 -14.299 -14.119 0.180 30.40 ------------------------------Saturation indices------------------------------- @@ -5444,7 +5372,7 @@ O(0) 1.015e-14 H2(g) -36.06 -39.16 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.39 0.18 1.57 NaCl - O2(g) -11.22 -14.11 -2.89 O2 + O2(g) -11.23 -14.12 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5508,7 +5436,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.072 -42.892 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 2.066e-18 3.127e-18 -17.685 -17.505 0.180 (0) O(0) 2.947e-07 O2 1.474e-07 2.230e-07 -6.832 -6.652 0.180 30.40 @@ -5584,7 +5511,6 @@ H(0) 8.249e-07 H2 4.125e-07 6.690e-07 -6.385 -6.175 0.210 28.61 Na 2.100e+00 Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 - NaOH 4.880e-17 7.914e-17 -16.312 -16.102 0.210 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.305 -80.095 0.210 30.40 @@ -5633,7 +5559,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.060 Adjusted to redox equilibrium + pe = 11.061 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 150388 Density (g/cm³) = 1.07551 Volume (L) = 1043.91411 @@ -5661,13 +5587,12 @@ Reaction 1. Cl 2.100e+00 Cl- 2.100e+00 1.222e+00 0.322 0.087 -0.235 19.32 HCl 5.965e-09 4.671e-08 -8.224 -7.331 0.894 (0) -H(0) 8.172e-40 - H2 4.086e-40 6.627e-40 -39.389 -39.179 0.210 28.61 +H(0) 8.125e-40 + H2 4.062e-40 6.589e-40 -39.391 -39.181 0.210 28.61 Na 2.100e+00 Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 - NaOH 9.143e-18 1.483e-17 -17.039 -16.829 0.210 (0) -O(0) 1.009e-14 - O2 5.047e-15 8.186e-15 -14.297 -14.087 0.210 30.40 +O(0) 1.021e-14 + O2 5.106e-15 8.281e-15 -14.292 -14.082 0.210 30.40 ------------------------------Saturation indices------------------------------- @@ -5676,7 +5601,7 @@ O(0) 1.009e-14 H2(g) -36.08 -39.18 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.24 0.33 1.57 NaCl - O2(g) -11.19 -14.09 -2.89 O2 + O2(g) -11.19 -14.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5740,7 +5665,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.194 -42.984 0.210 28.61 Na 2.100e+00 Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 - NaOH 1.705e-18 2.764e-18 -17.768 -17.558 0.210 (0) O(0) 4.125e-07 O2 2.063e-07 3.345e-07 -6.686 -6.476 0.210 30.40 @@ -5786,7 +5710,7 @@ Reaction 0. pH = 7.798 Charge balance pe = -6.363 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 164778 + Specific Conductance (µS/cm, 25°C) = 164777 Density (g/cm³) = 1.08575 Volume (L) = 1050.21609 Viscosity (mPa s) = 1.12445 @@ -5816,7 +5740,6 @@ H(0) 1.100e-06 H2 5.499e-07 9.557e-07 -6.260 -6.020 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 7.026e-17 1.221e-16 -16.153 -15.913 0.240 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.655 -80.415 0.240 30.40 @@ -5865,7 +5788,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -1.676 Adjusted to redox equilibrium + pe = -1.662 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 164777 Density (g/cm³) = 1.08575 Volume (L) = 1050.21611 @@ -5893,22 +5816,21 @@ Reaction 1. Cl 2.400e+00 Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 HCl 5.080e-09 5.338e-08 -8.294 -7.273 1.021 (0) -H(0) 2.277e-14 - H2 1.138e-14 1.978e-14 -13.944 -13.704 0.240 28.61 +H(0) 2.126e-14 + H2 1.063e-14 1.847e-14 -13.974 -13.734 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 1.004e-17 1.745e-17 -16.998 -16.758 0.240 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.287 -65.047 0.240 30.40 + O2 0.000e+00 0.000e+00 -65.227 -64.987 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -10.60 -13.70 -3.10 H2 + H2(g) -10.63 -13.73 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.11 0.46 1.57 NaCl - O2(g) -62.15 -65.05 -2.89 O2 + O2(g) -62.09 -64.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5972,7 +5894,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.307 -43.067 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 1.427e-18 2.480e-18 -17.846 -17.606 0.240 (0) O(0) 5.500e-07 O2 2.750e-07 4.779e-07 -6.561 -6.321 0.240 30.40 @@ -6048,7 +5969,6 @@ H(0) 1.414e-06 H2 7.070e-07 1.317e-06 -6.151 -5.881 0.270 28.61 Na 2.700e+00 Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 - NaOH 9.710e-17 1.808e-16 -16.013 -15.743 0.270 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.973 -80.703 0.270 30.40 @@ -6097,7 +6017,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.659 Adjusted to redox equilibrium + pe = -1.655 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 177769 Density (g/cm³) = 1.09578 Volume (L) = 1056.59798 @@ -6125,13 +6045,12 @@ Reaction 1. Cl 2.700e+00 Cl- 2.700e+00 1.563e+00 0.431 0.194 -0.237 19.48 HCl 4.263e-09 6.010e-08 -8.370 -7.221 1.149 (0) -H(0) 1.969e-14 - H2 9.843e-15 1.833e-14 -14.007 -13.737 0.270 28.61 +H(0) 1.937e-14 + H2 9.685e-15 1.803e-14 -14.014 -13.744 0.270 28.61 Na 2.700e+00 Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 - NaOH 1.089e-17 2.027e-17 -16.963 -16.693 0.270 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.260 -64.990 0.270 30.40 + O2 0.000e+00 0.000e+00 -65.246 -64.976 0.270 30.40 ------------------------------Saturation indices------------------------------- @@ -6140,7 +6059,7 @@ O(0) 0.000e+00 H2(g) -10.64 -13.74 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -0.98 0.59 1.57 NaCl - O2(g) -62.10 -64.99 -2.89 O2 + O2(g) -62.08 -64.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6204,7 +6123,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.411 -43.141 0.270 28.61 Na 2.700e+00 Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 - NaOH 1.213e-18 2.259e-18 -17.916 -17.646 0.270 (0) O(0) 7.071e-07 O2 3.535e-07 6.583e-07 -6.452 -6.182 0.270 30.40 @@ -6280,7 +6198,6 @@ H(0) 1.767e-06 H2 8.837e-07 1.763e-06 -6.054 -5.754 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.297e-16 2.588e-16 -15.887 -15.587 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.266 -80.966 0.300 30.40 @@ -6329,7 +6246,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.712 Adjusted to redox equilibrium + pe = -1.709 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189441 Density (g/cm³) = 1.10562 Volume (L) = 1063.05481 @@ -6357,22 +6274,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.536e-09 6.688e-08 -8.452 -7.175 1.277 (0) -H(0) 2.352e-14 - H2 1.176e-14 2.347e-14 -13.930 -13.630 0.300 28.61 +H(0) 2.319e-14 + H2 1.159e-14 2.313e-14 -13.936 -13.636 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.168e-17 2.331e-17 -16.933 -16.632 0.300 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.514 -65.214 0.300 30.40 + O2 0.000e+00 0.000e+00 -65.502 -65.202 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -10.53 -13.63 -3.10 H2 + H2(g) -10.53 -13.64 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -62.32 -65.21 -2.89 O2 + O2(g) -62.31 -65.20 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6436,7 +6352,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.509 -43.209 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.045e-18 2.086e-18 -17.981 -17.681 0.300 (0) O(0) 8.838e-07 O2 4.419e-07 8.817e-07 -6.355 -6.055 0.300 30.40 @@ -6512,7 +6427,6 @@ H(0) 2.160e-06 H2 1.080e-06 2.309e-06 -5.967 -5.637 0.330 28.61 Na 3.300e+00 Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 - NaOH 1.684e-16 3.601e-16 -15.774 -15.444 0.330 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.540 -81.210 0.330 30.40 @@ -6561,7 +6475,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.750 Adjusted to redox equilibrium + pe = -1.749 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 199870 Density (g/cm³) = 1.11526 Volume (L) = 1069.58245 @@ -6589,22 +6503,21 @@ Reaction 1. Cl 3.300e+00 Cl- 3.300e+00 1.914e+00 0.519 0.282 -0.237 19.62 HCl 2.904e-09 7.371e-08 -8.537 -7.132 1.405 (0) -H(0) 2.614e-14 - H2 1.307e-14 2.794e-14 -13.884 -13.554 0.330 28.61 +H(0) 2.604e-14 + H2 1.302e-14 2.784e-14 -13.885 -13.555 0.330 28.61 Na 3.300e+00 Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 - NaOH 1.243e-17 2.658e-17 -16.905 -16.575 0.330 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.706 -65.376 0.330 30.40 + O2 0.000e+00 0.000e+00 -65.703 -65.373 0.330 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -10.45 -13.55 -3.10 H2 + H2(g) -10.45 -13.56 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.77 0.80 1.57 NaCl - O2(g) -62.48 -65.38 -2.89 O2 + O2(g) -62.48 -65.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6668,7 +6581,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.603 -43.273 0.330 28.61 Na 3.300e+00 Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 - NaOH 9.116e-19 1.949e-18 -18.040 -17.710 0.330 (0) O(0) 1.080e-06 O2 5.401e-07 1.155e-06 -6.268 -5.938 0.330 30.40 @@ -6751,7 +6663,7 @@ Initial solution 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.005e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.737e-19 + Total alkalinity (eq/kg) = 2.069e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -4.848e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6774,7 +6686,6 @@ H(0) 1.483e-25 H2 7.417e-26 7.590e-26 -25.130 -25.120 0.010 28.61 Na 1.005e-01 Na+ 1.005e-01 7.885e-02 -0.998 -1.103 -0.105 -1.09 - NaOH 7.506e-19 7.681e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.154 -42.143 0.010 30.40 @@ -6810,7 +6721,7 @@ Initial solution 2. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.256e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.020e-17 + Total alkalinity (eq/kg) = -1.113e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.750e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6833,7 +6744,6 @@ H(0) 1.486e-25 H2 7.429e-26 7.647e-26 -25.129 -25.117 0.013 28.61 Na 1.256e-01 Na+ 1.256e-01 9.702e-02 -0.901 -1.013 -0.112 -1.04 - NaOH 9.140e-19 9.408e-19 -18.039 -18.026 0.013 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.163 -42.151 0.013 30.40 @@ -6869,7 +6779,7 @@ Initial solution 3. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.508e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.273e-18 + Total alkalinity (eq/kg) = -2.361e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -4.729e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6892,7 +6802,6 @@ H(0) 1.487e-25 H2 7.434e-26 7.697e-26 -25.129 -25.114 0.015 28.61 Na 1.508e-01 Na+ 1.508e-01 1.150e-01 -0.821 -0.939 -0.118 -1.00 - NaOH 1.072e-18 1.110e-18 -17.970 -17.955 0.015 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.172 -42.157 0.015 30.40 @@ -6928,7 +6837,7 @@ Initial solution 4. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.761e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.524e-18 + Total alkalinity (eq/kg) = 3.288e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.051e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6951,7 +6860,6 @@ H(0) 1.487e-25 H2 7.433e-26 7.741e-26 -25.129 -25.111 0.018 28.61 Na 1.761e-01 Na+ 1.761e-01 1.328e-01 -0.754 -0.877 -0.123 -0.96 - NaOH 1.227e-18 1.278e-18 -17.911 -17.894 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.180 -42.163 0.018 30.40 @@ -6987,7 +6895,7 @@ Initial solution 5. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.183e-17 + Total alkalinity (eq/kg) = 2.043e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -2.034e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7010,7 +6918,6 @@ H(0) 1.486e-25 H2 7.428e-26 7.780e-26 -25.129 -25.109 0.020 28.61 Na 2.013e-01 Na+ 2.013e-01 1.505e-01 -0.696 -0.823 -0.126 -0.93 - NaOH 1.378e-18 1.443e-18 -17.861 -17.841 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.188 -42.168 0.020 30.40 @@ -7046,7 +6953,7 @@ Initial solution 6. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.518e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.249e-17 + Total alkalinity (eq/kg) = 1.076e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -5.723e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7069,7 +6976,6 @@ H(0) 1.481e-25 H2 7.407e-26 7.849e-26 -25.130 -25.105 0.025 28.61 Na 2.518e-01 Na+ 2.518e-01 1.857e-01 -0.599 -0.731 -0.132 -0.87 - NaOH 1.670e-18 1.769e-18 -17.777 -17.752 0.025 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.202 -42.177 0.025 30.40 @@ -7105,7 +7011,7 @@ Initial solution 7. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.025e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.808e-17 + Total alkalinity (eq/kg) = -3.006e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.248e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7128,7 +7034,6 @@ H(0) 1.475e-25 H2 7.377e-26 7.909e-26 -25.132 -25.102 0.030 28.61 Na 3.025e-01 Na+ 3.025e-01 2.208e-01 -0.519 -0.656 -0.137 -0.81 - NaOH 1.952e-18 2.093e-18 -17.710 -17.679 0.030 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.215 -42.185 0.030 30.40 @@ -7164,7 +7069,7 @@ Initial solution 8. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.041e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.565e-18 + Total alkalinity (eq/kg) = -1.211e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.348e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7187,7 +7092,6 @@ H(0) 1.459e-25 H2 7.297e-26 8.009e-26 -25.137 -25.096 0.040 28.61 Na 4.041e-01 Na+ 4.041e-01 2.914e-01 -0.394 -0.535 -0.142 -0.71 - NaOH 2.492e-18 2.735e-18 -17.603 -17.563 0.040 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.240 -42.199 0.040 30.40 @@ -7223,7 +7127,7 @@ Initial solution 9. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.060e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.379e-17 + Total alkalinity (eq/kg) = -6.685e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.175e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7246,7 +7150,6 @@ H(0) 1.441e-25 H2 7.203e-26 8.093e-26 -25.143 -25.092 0.051 28.61 Na 5.060e-01 Na+ 5.060e-01 3.630e-01 -0.296 -0.440 -0.144 -0.63 - NaOH 3.006e-18 3.378e-18 -17.522 -17.471 0.051 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.262 -42.211 0.051 30.40 @@ -7282,7 +7185,7 @@ Initial solution 10. Activity of water = 0.979 Ionic strength (mol/kgw) = 6.084e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.657e-17 + Total alkalinity (eq/kg) = -3.976e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 7.591e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7305,7 +7208,6 @@ H(0) 1.420e-25 H2 7.098e-26 8.166e-26 -25.149 -25.088 0.061 28.61 Na 6.084e-01 Na+ 6.084e-01 4.361e-01 -0.216 -0.360 -0.145 -0.55 - NaOH 3.499e-18 4.025e-18 -17.456 -17.395 0.061 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.283 -42.222 0.061 30.40 @@ -7341,7 +7243,7 @@ Initial solution 11. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.112e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.872e-18 + Total alkalinity (eq/kg) = -2.219e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 3.835e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7364,7 +7266,6 @@ H(0) 1.398e-25 H2 6.989e-26 8.232e-26 -25.156 -25.084 0.071 28.61 Na 7.112e-01 Na+ 7.112e-01 5.110e-01 -0.148 -0.292 -0.144 -0.48 - NaOH 3.973e-18 4.680e-18 -17.401 -17.330 0.071 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.303 -42.232 0.071 30.40 @@ -7400,7 +7301,7 @@ Initial solution 12. Activity of water = 0.972 Ionic strength (mol/kgw) = 8.144e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.076e-18 + Total alkalinity (eq/kg) = -3.486e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.528e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7423,7 +7324,6 @@ H(0) 1.375e-25 H2 6.875e-26 8.293e-26 -25.163 -25.081 0.081 28.61 Na 8.144e-01 Na+ 8.144e-01 5.879e-01 -0.089 -0.231 -0.142 -0.41 - NaOH 4.431e-18 5.345e-18 -17.353 -17.272 0.081 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.323 -42.242 0.081 30.40 @@ -7459,9 +7359,9 @@ Initial solution 13. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.180e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.608e-17 + Total alkalinity (eq/kg) = 4.106e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.804e-15 + Electrical balance (eq) = 4.805e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (52 overall) Total H = 1.110124e+02 @@ -7482,7 +7382,6 @@ H(0) 1.352e-25 H2 6.759e-26 8.350e-26 -25.170 -25.078 0.092 28.61 Na 9.180e-01 Na+ 9.180e-01 6.671e-01 -0.037 -0.176 -0.139 -0.35 - NaOH 4.875e-18 6.023e-18 -17.312 -17.220 0.092 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.343 -42.251 0.092 30.40 @@ -7518,9 +7417,9 @@ Initial solution 14. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.163e-16 + Total alkalinity (eq/kg) = 1.108e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.496e-16 + Electrical balance (eq) = 9.497e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (56 overall) Total H = 1.110124e+02 @@ -7541,7 +7440,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.30 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 @@ -7577,7 +7475,7 @@ Initial solution 15. Activity of water = 0.958 Ionic strength (mol/kgw) = 1.231e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.383e-14 + Total alkalinity (eq/kg) = -6.384e-14 Temperature (°C) = 25.00 Electrical balance (eq) = 5.292e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7600,7 +7498,6 @@ H(0) 1.280e-25 H2 6.402e-26 8.501e-26 -25.194 -25.071 0.123 28.61 Na 1.231e+00 Na+ 1.231e+00 9.201e-01 0.090 -0.036 -0.127 -0.19 - NaOH 6.132e-18 8.143e-18 -17.212 -17.089 0.123 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.399 -42.276 0.123 30.40 @@ -7659,7 +7556,6 @@ H(0) 1.232e-25 H2 6.160e-26 8.587e-26 -25.210 -25.066 0.144 28.61 Na 1.443e+00 Na+ 1.443e+00 1.103e+00 0.159 0.043 -0.116 -0.09 - NaOH 6.917e-18 9.642e-18 -17.160 -17.016 0.144 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.436 -42.291 0.144 30.40 @@ -7718,7 +7614,6 @@ H(0) 1.183e-25 H2 5.917e-26 8.663e-26 -25.228 -25.062 0.166 28.61 Na 1.656e+00 Na+ 1.656e+00 1.300e+00 0.219 0.114 -0.105 0.00 - NaOH 7.665e-18 1.122e-17 -17.115 -16.950 0.166 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.471 -42.306 0.166 30.40 @@ -7754,7 +7649,7 @@ Initial solution 18. Activity of water = 0.936 Ionic strength (mol/kgw) = 1.871e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.554e-13 + Total alkalinity (eq/kg) = -3.555e-13 Temperature (°C) = 25.00 Electrical balance (eq) = 2.629e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7777,7 +7672,6 @@ H(0) 1.135e-25 H2 5.674e-26 8.729e-26 -25.246 -25.059 0.187 28.61 Na 1.871e+00 Na+ 1.871e+00 1.510e+00 0.272 0.179 -0.093 0.09 - NaOH 8.381e-18 1.289e-17 -17.077 -16.890 0.187 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.506 -42.319 0.187 30.40 @@ -7836,7 +7730,6 @@ H(0) 1.086e-25 H2 5.432e-26 8.784e-26 -25.265 -25.056 0.209 28.61 Na 2.087e+00 Na+ 2.087e+00 1.737e+00 0.320 0.240 -0.080 0.17 - NaOH 9.067e-18 1.466e-17 -17.043 -16.834 0.209 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.540 -42.331 0.209 30.40 @@ -7872,9 +7765,9 @@ Initial solution 20. Activity of water = 0.910 Ionic strength (mol/kgw) = 2.638e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.497e-17 + Total alkalinity (eq/kg) = -6.606e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.314e-17 + Electrical balance (eq) = 7.335e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (75 overall) Total H = 1.110124e+02 @@ -7895,7 +7788,6 @@ H(0) 9.672e-26 H2 4.836e-26 8.878e-26 -25.316 -25.052 0.264 28.61 Na 2.638e+00 Na+ 2.638e+00 2.382e+00 0.421 0.377 -0.044 0.37 - NaOH 1.067e-17 1.960e-17 -16.972 -16.708 0.264 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.622 -42.358 0.264 30.40 @@ -7954,7 +7846,6 @@ H(0) 8.528e-26 H2 4.264e-26 8.914e-26 -25.370 -25.050 0.320 28.61 Na 3.203e+00 Na+ 3.203e+00 3.159e+00 0.505 0.500 -0.006 0.54 - NaOH 1.215e-17 2.539e-17 -16.916 -16.595 0.320 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.701 -42.380 0.320 30.40 @@ -7990,7 +7881,7 @@ Initial solution 22. Activity of water = 0.871 Ionic strength (mol/kgw) = 3.781e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.847e-17 + Total alkalinity (eq/kg) = 5.450e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 7.996e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8013,7 +7904,6 @@ H(0) 7.452e-26 H2 3.726e-26 8.898e-26 -25.429 -25.051 0.378 28.61 Na 3.781e+00 Na+ 3.781e+00 4.098e+00 0.578 0.613 0.035 0.71 - NaOH 1.350e-17 3.224e-17 -16.870 -16.492 0.378 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.776 -42.398 0.378 30.40 @@ -8049,7 +7939,7 @@ Initial solution 23. Activity of water = 0.851 Ionic strength (mol/kgw) = 4.374e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.237e-16 + Total alkalinity (eq/kg) = -6.393e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 3.988e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8072,7 +7962,6 @@ H(0) 6.457e-26 H2 3.229e-26 8.839e-26 -25.491 -25.054 0.437 28.61 Na 4.374e+00 Na+ 4.374e+00 5.236e+00 0.641 0.719 0.078 0.87 - NaOH 1.475e-17 4.038e-17 -16.831 -16.394 0.437 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.850 -42.413 0.437 30.40 @@ -8108,7 +7997,7 @@ Initial solution 24. Activity of water = 0.831 Ionic strength (mol/kgw) = 4.983e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.442e-16 + Total alkalinity (eq/kg) = -9.607e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 7.640e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8131,7 +8020,6 @@ H(0) 5.552e-26 H2 2.776e-26 8.743e-26 -25.557 -25.058 0.498 28.61 Na 4.983e+00 Na+ 4.983e+00 6.620e+00 0.697 0.821 0.123 1.02 - NaOH 1.590e-17 5.008e-17 -16.799 -16.300 0.498 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.923 -42.425 0.498 30.40 @@ -8167,7 +8055,7 @@ Initial solution 25. Activity of water = 0.809 Ionic strength (mol/kgw) = 5.609e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.761e-16 + Total alkalinity (eq/kg) = -7.932e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.221e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8190,7 +8078,6 @@ H(0) 4.737e-26 H2 2.368e-26 8.618e-26 -25.626 -25.065 0.561 28.61 Na 5.609e+00 Na+ 5.609e+00 8.308e+00 0.749 0.919 0.171 1.16 - NaOH 1.695e-17 6.168e-17 -16.771 -16.210 0.561 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.995 -42.435 0.561 30.40 @@ -8226,7 +8113,7 @@ Initial solution 26. Activity of water = 0.794 Ionic strength (mol/kgw) = 6.059e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.047e-17 + Total alkalinity (eq/kg) = 3.155e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.259e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8249,7 +8136,6 @@ H(0) 4.220e-26 H2 2.110e-26 8.514e-26 -25.676 -25.070 0.606 28.61 Na 6.059e+00 Na+ 6.059e+00 9.709e+00 0.782 0.987 0.205 1.27 - NaOH 1.763e-17 7.115e-17 -16.754 -16.148 0.606 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.047 -42.441 0.606 30.40 diff --git a/mytest/SC_Ohm1.out b/mytest/SC_Ohm1.out index fd1150dd1..b26f1d1cb 100644 --- a/mytest/SC_Ohm1.out +++ b/mytest/SC_Ohm1.out @@ -87,7 +87,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -147,7 +146,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -243,7 +241,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -302,7 +299,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -362,7 +358,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -427,7 +422,6 @@ H(0) 1.303e-11 H2 6.517e-12 6.517e-12 -11.186 -11.186 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.008 -70.008 0.000 30.40 @@ -493,7 +487,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -553,7 +546,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.586 -40.586 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.240e-11 O2 6.202e-12 6.202e-12 -11.207 -11.207 0.000 30.40 @@ -639,7 +631,6 @@ H(0) 1.303e-11 H2 6.517e-12 6.517e-12 -11.186 -11.186 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.008 -70.008 0.000 30.40 @@ -699,7 +690,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -759,7 +749,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.586 -40.586 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.240e-11 O2 6.202e-12 6.202e-12 -11.207 -11.207 0.000 30.40 @@ -839,7 +828,6 @@ H(0) 2.601e-11 H2 1.300e-11 1.493e-11 -10.886 -10.826 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.806 -70.746 0.060 30.40 @@ -888,7 +876,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -1.343 Adjusted to redox equilibrium + pe = -1.342 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54376 Density (g/cm³) = 1.02090 Volume (L) = 1013.88417 @@ -899,7 +887,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.327e-06 + Electrical balance (eq) = -1.344e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+05 @@ -916,22 +904,21 @@ Reaction 1. Cl 6.001e-01 Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) -H(0) 6.839e-15 - H2 3.419e-15 3.926e-15 -14.466 -14.406 0.060 28.61 +H(0) 6.815e-15 + H2 3.408e-15 3.912e-15 -14.468 -14.408 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.646 -63.586 0.060 30.40 + O2 0.000e+00 0.000e+00 -63.643 -63.583 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.30 -14.41 -3.10 H2 + H2(g) -11.31 -14.41 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -60.69 -63.59 -2.89 O2 + O2(g) -60.69 -63.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -995,7 +982,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.777 -40.717 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.988e-18 -17.459 -17.399 0.060 (0) O(0) 1.890e-11 O2 9.449e-12 1.085e-11 -11.025 -10.965 0.060 30.40 @@ -1071,7 +1057,6 @@ H(0) 5.638e-08 H2 2.819e-08 3.716e-08 -7.550 -7.430 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 7.218e-18 9.516e-18 -17.142 -17.022 0.120 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -77.676 -77.556 0.120 30.40 @@ -1120,7 +1105,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.962 Charge balance - pe = 10.918 Adjusted to redox equilibrium + pe = 10.916 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98017 Density (g/cm³) = 1.04347 Volume (L) = 1025.55523 @@ -1131,7 +1116,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.327e-06 + Electrical balance (eq) = -1.344e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+05 @@ -1148,13 +1133,12 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.345e-09 2.705e-08 -8.079 -7.568 0.511 (0) -H(0) 1.862e-39 - H2 9.308e-40 1.227e-39 -39.031 -38.911 0.120 28.61 +H(0) 1.878e-39 + H2 9.390e-40 1.238e-39 -39.027 -38.907 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.036e-18 7.957e-18 -17.219 -17.099 0.120 (0) -O(0) 3.864e-15 - O2 1.932e-15 2.547e-15 -14.714 -14.594 0.120 30.40 +O(0) 3.797e-15 + O2 1.899e-15 2.503e-15 -14.722 -14.602 0.120 30.40 ------------------------------Saturation indices------------------------------- @@ -1163,7 +1147,7 @@ O(0) 3.864e-15 H2(g) -35.81 -38.91 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -11.70 -14.59 -2.89 O2 + O2(g) -11.71 -14.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1227,7 +1211,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.470 -42.350 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 5.047e-18 6.653e-18 -17.297 -17.177 0.120 (0) O(0) 2.913e-08 O2 1.456e-08 1.920e-08 -7.837 -7.717 0.120 30.40 @@ -1303,7 +1286,6 @@ H(0) 1.580e-07 H2 7.900e-08 1.196e-07 -7.102 -6.922 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 1.319e-17 1.996e-17 -16.880 -16.700 0.180 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -78.770 -78.590 0.180 30.40 @@ -1352,7 +1334,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = 10.979 Adjusted to redox equilibrium + pe = 10.977 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 134522 Density (g/cm³) = 1.06505 Volume (L) = 1037.69796 @@ -1363,7 +1345,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1380,13 +1362,12 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 HCl 6.871e-09 4.010e-08 -8.163 -7.397 0.766 (0) -H(0) 1.257e-39 - H2 6.285e-40 9.513e-40 -39.202 -39.022 0.180 28.61 +H(0) 1.268e-39 + H2 6.339e-40 9.595e-40 -39.198 -39.018 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.183e-18 1.239e-17 -17.087 -16.907 0.180 (0) -O(0) 5.365e-15 - O2 2.682e-15 4.060e-15 -14.571 -14.391 0.180 30.40 +O(0) 5.273e-15 + O2 2.636e-15 3.990e-15 -14.579 -14.399 0.180 30.40 ------------------------------Saturation indices------------------------------- @@ -1395,7 +1376,7 @@ O(0) 5.365e-15 H2(g) -35.92 -39.02 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.39 0.18 1.57 NaCl - O2(g) -11.50 -14.39 -2.89 O2 + O2(g) -11.51 -14.40 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1459,7 +1440,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.788 -42.608 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 5.073e-18 7.679e-18 -17.295 -17.115 0.180 (0) O(0) 7.994e-08 O2 3.997e-08 6.050e-08 -7.398 -7.218 0.180 30.40 @@ -1535,7 +1515,6 @@ H(0) 2.974e-07 H2 1.487e-07 2.584e-07 -6.828 -6.588 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 2.302e-17 4.000e-17 -16.638 -16.398 0.240 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -79.519 -79.279 0.240 30.40 @@ -1584,7 +1563,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = 11.053 Adjusted to redox equilibrium + pe = 11.049 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 164777 Density (g/cm³) = 1.08575 Volume (L) = 1050.21611 @@ -1595,7 +1574,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1612,22 +1591,21 @@ Reaction 1. Cl 2.400e+00 Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 HCl 5.080e-09 5.338e-08 -8.294 -7.273 1.021 (0) -H(0) 7.916e-40 - H2 3.958e-40 6.878e-40 -39.403 -39.163 0.240 28.61 +H(0) 8.051e-40 + H2 4.025e-40 6.995e-40 -39.395 -39.155 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 1.004e-17 1.745e-17 -16.998 -16.758 0.240 (0) -O(0) 8.553e-15 - O2 4.277e-15 7.432e-15 -14.369 -14.129 0.240 30.40 +O(0) 8.269e-15 + O2 4.135e-15 7.185e-15 -14.384 -14.144 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.06 -39.16 -3.10 H2 + H2(g) -36.05 -39.16 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.11 0.46 1.57 NaCl - O2(g) -11.24 -14.13 -2.89 O2 + O2(g) -11.25 -14.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1691,7 +1669,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.024 -42.784 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 4.371e-18 7.597e-18 -17.359 -17.119 0.240 (0) O(0) 1.496e-07 O2 7.482e-08 1.300e-07 -7.126 -6.886 0.240 30.40 @@ -1767,7 +1744,6 @@ H(0) 4.682e-07 H2 2.341e-07 4.671e-07 -6.631 -6.331 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 3.774e-17 7.530e-17 -16.423 -16.123 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.112 -79.812 0.300 30.40 @@ -1816,7 +1792,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = 11.115 Adjusted to redox equilibrium + pe = 11.111 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189441 Density (g/cm³) = 1.10562 Volume (L) = 1063.05481 @@ -1827,7 +1803,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1844,13 +1820,12 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.536e-09 6.688e-08 -8.452 -7.175 1.277 (0) -H(0) 5.218e-40 - H2 2.609e-40 5.206e-40 -39.584 -39.284 0.300 28.61 +H(0) 5.304e-40 + H2 2.652e-40 5.291e-40 -39.576 -39.276 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.168e-17 2.331e-17 -16.933 -16.632 0.300 (0) -O(0) 1.243e-14 - O2 6.217e-15 1.240e-14 -14.206 -13.906 0.300 30.40 +O(0) 1.204e-14 + O2 6.018e-15 1.201e-14 -14.221 -13.921 0.300 30.40 ------------------------------Saturation indices------------------------------- @@ -1859,7 +1834,7 @@ O(0) 1.243e-14 H2(g) -36.18 -39.28 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -11.01 -13.91 -2.89 O2 + O2(g) -11.03 -13.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1923,7 +1898,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.222 -42.922 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 3.604e-18 7.191e-18 -17.443 -17.143 0.300 (0) O(0) 2.350e-07 O2 1.175e-07 2.345e-07 -6.930 -6.630 0.300 30.40 @@ -1999,7 +1973,6 @@ H(0) 6.645e-07 H2 3.323e-07 7.612e-07 -6.479 -6.119 0.360 28.61 Na 3.600e+00 Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 - NaOH 5.761e-17 1.320e-16 -16.239 -15.879 0.360 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.616 -80.256 0.360 30.40 @@ -2048,7 +2021,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = 11.091 Adjusted to redox equilibrium + pe = 11.085 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 209133 Density (g/cm³) = 1.12472 Volume (L) = 1076.17734 @@ -2059,7 +2032,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2076,22 +2049,21 @@ Reaction 1. Cl 3.600e+00 Cl- 3.600e+00 2.094e+00 0.556 0.321 -0.235 19.68 HCl 2.366e-09 8.059e-08 -8.626 -7.094 1.532 (0) -H(0) 5.080e-40 - H2 2.540e-40 5.818e-40 -39.595 -39.235 0.360 28.61 +H(0) 5.205e-40 + H2 2.603e-40 5.962e-40 -39.585 -39.225 0.360 28.61 Na 3.600e+00 Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 - NaOH 1.314e-17 3.011e-17 -16.881 -16.521 0.360 (0) -O(0) 8.279e-15 - O2 4.140e-15 9.484e-15 -14.383 -14.023 0.360 30.40 +O(0) 7.884e-15 + O2 3.942e-15 9.031e-15 -14.404 -14.044 0.360 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.13 -39.24 -3.10 H2 + H2(g) -36.12 -39.22 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.67 0.90 1.57 NaCl - O2(g) -11.13 -14.02 -2.89 O2 + O2(g) -11.15 -14.04 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2155,7 +2127,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.398 -43.038 0.360 28.61 Na 3.600e+00 Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 - NaOH 2.985e-18 6.839e-18 -17.525 -17.165 0.360 (0) O(0) 3.332e-07 O2 1.666e-07 3.817e-07 -6.778 -6.418 0.360 30.40 @@ -2231,7 +2202,6 @@ H(0) 8.812e-07 H2 4.406e-07 1.159e-06 -6.356 -5.936 0.420 28.61 Na 4.200e+00 Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 - NaOH 8.248e-17 2.170e-16 -16.084 -15.664 0.420 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.062 -80.642 0.420 30.40 @@ -2280,7 +2250,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = 11.190 Adjusted to redox equilibrium + pe = 11.189 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 224461 Density (g/cm³) = 1.14309 Volume (L) = 1089.55681 @@ -2291,7 +2261,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2308,22 +2278,21 @@ Reaction 1. Cl 4.200e+00 Cl- 4.200e+00 2.461e+00 0.623 0.391 -0.232 19.80 HCl 1.541e-09 9.448e-08 -8.812 -7.025 1.788 (0) -H(0) 2.788e-40 - H2 1.394e-40 3.667e-40 -39.856 -39.436 0.420 28.61 +H(0) 2.800e-40 + H2 1.400e-40 3.683e-40 -39.854 -39.434 0.420 28.61 Na 4.200e+00 Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 - NaOH 1.445e-17 3.802e-17 -16.840 -16.420 0.420 (0) -O(0) 1.732e-14 - O2 8.659e-15 2.278e-14 -14.063 -13.643 0.420 30.40 +O(0) 1.717e-14 + O2 8.586e-15 2.258e-14 -14.066 -13.646 0.420 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.33 -39.44 -3.10 H2 + H2(g) -36.33 -39.43 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.49 1.08 1.57 NaCl - O2(g) -10.75 -13.64 -2.89 O2 + O2(g) -10.75 -13.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2387,7 +2356,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.559 -43.139 0.420 28.61 Na 4.200e+00 Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 - NaOH 2.520e-18 6.628e-18 -17.599 -17.179 0.420 (0) O(0) 4.416e-07 O2 2.208e-07 5.807e-07 -6.656 -6.236 0.420 30.40 @@ -2463,7 +2431,6 @@ H(0) 1.114e-06 H2 5.569e-07 1.682e-06 -6.254 -5.774 0.480 28.61 Na 4.800e+00 Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 - NaOH 1.120e-16 3.382e-16 -15.951 -15.471 0.480 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.466 -80.986 0.480 30.40 @@ -2512,7 +2479,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.234 Adjusted to redox equilibrium + pe = 11.235 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 236009 Density (g/cm³) = 1.16077 Volume (L) = 1103.17246 @@ -2523,7 +2490,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2541,12 +2508,11 @@ Cl 4.800e+00 Cl- 4.800e+00 2.841e+00 0.681 0.454 -0.228 19.90 HCl 9.833e-10 1.085e-07 -9.007 -6.964 2.043 (0) H(0) 0.000e+00 - H2 0.000e+00 2.960e-40 -40.009 -39.529 0.480 28.61 + H2 0.000e+00 2.948e-40 -40.010 -39.530 0.480 28.61 Na 4.800e+00 Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 - NaOH 1.563e-17 4.720e-17 -16.806 -16.326 0.480 (0) -O(0) 2.206e-14 - O2 1.103e-14 3.331e-14 -13.957 -13.477 0.480 30.40 +O(0) 2.224e-14 + O2 1.112e-14 3.359e-14 -13.954 -13.474 0.480 30.40 ------------------------------Saturation indices------------------------------- @@ -2555,7 +2521,7 @@ O(0) 2.206e-14 H2(g) -36.43 -39.53 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.33 1.24 1.57 NaCl - O2(g) -10.59 -13.48 -2.89 O2 + O2(g) -10.58 -13.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2619,7 +2585,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.710 -43.230 0.480 28.61 Na 4.800e+00 Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 - NaOH 2.169e-18 6.549e-18 -17.664 -17.184 0.480 (0) O(0) 5.579e-07 O2 2.789e-07 8.424e-07 -6.555 -6.074 0.480 30.40 @@ -2695,7 +2660,6 @@ H(0) 1.358e-06 H2 6.792e-07 2.355e-06 -6.168 -5.628 0.540 28.61 Na 5.400e+00 Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 - NaOH 1.457e-16 5.052e-16 -15.837 -15.297 0.540 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.840 -81.300 0.540 30.40 @@ -2744,7 +2708,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 11.254 Adjusted to redox equilibrium + pe = 11.253 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 244323 Density (g/cm³) = 1.17779 Volume (L) = 1117.00761 @@ -2755,7 +2719,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2773,12 +2737,11 @@ Cl 5.400e+00 Cl- 5.400e+00 3.235e+00 0.732 0.510 -0.222 20.00 HCl 6.179e-10 1.228e-07 -9.209 -6.911 2.298 (0) H(0) 0.000e+00 - H2 0.000e+00 2.669e-40 -40.114 -39.574 0.540 28.61 + H2 0.000e+00 2.681e-40 -40.112 -39.572 0.540 28.61 Na 5.400e+00 Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 - NaOH 1.668e-17 5.784e-17 -16.778 -16.238 0.540 (0) -O(0) 2.249e-14 - O2 1.125e-14 3.900e-14 -13.949 -13.409 0.540 30.40 +O(0) 2.230e-14 + O2 1.115e-14 3.866e-14 -13.953 -13.413 0.540 30.40 ------------------------------Saturation indices------------------------------- @@ -2851,7 +2814,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.854 -43.314 0.540 28.61 Na 5.400e+00 Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 - NaOH 1.898e-18 6.581e-18 -17.722 -17.182 0.540 (0) O(0) 6.802e-07 O2 3.401e-07 1.179e-06 -6.468 -5.928 0.540 30.40 @@ -2927,7 +2889,6 @@ H(0) 1.612e-06 H2 8.058e-07 3.208e-06 -6.094 -5.494 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.831e-16 7.290e-16 -15.737 -15.137 0.600 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -82.191 -81.591 0.600 30.40 @@ -2976,7 +2937,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = 11.309 Adjusted to redox equilibrium + pe = 11.307 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249901 Density (g/cm³) = 1.19417 Volume (L) = 1131.04845 @@ -2987,7 +2948,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.324e-06 + Electrical balance (eq) = -1.341e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -3005,12 +2966,11 @@ Cl 6.000e+00 Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 HCl 3.835e-10 1.372e-07 -9.416 -6.863 2.554 (0) H(0) 0.000e+00 - H2 0.000e+00 2.041e-40 -40.290 -39.690 0.600 28.61 + H2 0.000e+00 2.055e-40 -40.287 -39.687 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.762e-17 7.013e-17 -16.754 -16.154 0.600 (0) -O(0) 3.185e-14 - O2 1.593e-14 6.340e-14 -13.798 -13.198 0.600 30.40 +O(0) 3.142e-14 + O2 1.571e-14 6.255e-14 -13.804 -13.204 0.600 30.40 ------------------------------Saturation indices------------------------------- @@ -3083,7 +3043,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.992 -43.392 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.684e-18 6.704e-18 -17.774 -17.174 0.600 (0) O(0) 8.068e-07 O2 4.034e-07 1.606e-06 -6.394 -5.794 0.600 30.40 @@ -3159,7 +3118,6 @@ H(0) 1.871e-06 H2 9.353e-07 4.275e-06 -6.029 -5.369 0.660 28.61 Na 6.600e+00 Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 - NaOH 2.237e-16 1.022e-15 -15.650 -14.990 0.660 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -82.523 -81.863 0.660 30.40 @@ -3208,7 +3166,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = 11.334 Adjusted to redox equilibrium + pe = 11.332 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 253190 Density (g/cm³) = 1.20994 Volume (L) = 1145.28333 @@ -3219,7 +3177,7 @@ Reaction 1. Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.304e-06 + Electrical balance (eq) = -1.321e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+05 @@ -3237,21 +3195,20 @@ Cl 6.600e+00 Cl- 6.600e+00 4.067e+00 0.820 0.609 -0.210 20.18 HCl 2.357e-10 1.518e-07 -9.628 -6.819 2.809 (0) H(0) 0.000e+00 - H2 0.000e+00 1.789e-40 -40.407 -39.747 0.660 28.61 + H2 0.000e+00 1.800e-40 -40.405 -39.745 0.660 28.61 Na 6.600e+00 Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 - NaOH 1.845e-17 8.431e-17 -16.734 -16.074 0.660 (0) -O(0) 3.428e-14 - O2 1.714e-14 7.835e-14 -13.766 -13.106 0.660 30.40 +O(0) 3.386e-14 + O2 1.693e-14 7.739e-14 -13.771 -13.111 0.660 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.65 -39.75 -3.10 H2 + H2(g) -36.64 -39.74 -3.10 H2 H2O(g) -1.61 -0.11 1.50 H2O Halite 0.11 1.68 1.57 NaCl - O2(g) -10.21 -13.11 -2.89 O2 + O2(g) -10.22 -13.11 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3315,7 +3272,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.126 -43.466 0.660 28.61 Na 6.600e+00 Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 - NaOH 1.511e-18 6.906e-18 -17.821 -17.161 0.660 (0) O(0) 9.363e-07 O2 4.681e-07 2.140e-06 -6.330 -5.670 0.660 30.40 @@ -3399,7 +3355,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3459,7 +3414,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3550,7 +3504,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3610,7 +3563,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3670,7 +3622,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3747,7 +3698,6 @@ H(0) 1.319e-11 H2 6.595e-12 6.595e-12 -11.181 -11.181 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.018 -70.018 0.000 30.40 @@ -3825,7 +3775,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -3897,7 +3846,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.587 -40.587 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.244e-11 O2 6.222e-12 6.222e-12 -11.206 -11.206 0.000 30.40 @@ -3983,7 +3931,6 @@ H(0) 1.319e-11 H2 6.595e-12 6.595e-12 -11.181 -11.181 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.018 -70.018 0.000 30.40 @@ -4043,7 +3990,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -4103,7 +4049,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.587 -40.587 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 1.244e-11 O2 6.222e-12 6.222e-12 -11.206 -11.206 0.000 30.40 @@ -4183,7 +4128,6 @@ H(0) 2.635e-11 H2 1.317e-11 1.412e-11 -10.880 -10.850 0.030 28.61 Na 3.001e-01 Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.948e-18 2.087e-18 -17.710 -17.680 0.030 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.718 -70.688 0.030 30.40 @@ -4232,7 +4176,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -1.334 Adjusted to redox equilibrium + pe = -1.333 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29250 Density (g/cm³) = 1.00917 Volume (L) = 1008.28815 @@ -4260,13 +4204,12 @@ Reaction 1. Cl 3.001e-01 Cl- 3.001e-01 2.058e-01 -0.523 -0.687 -0.164 18.55 HCl 5.557e-09 7.458e-09 -8.255 -8.127 0.128 (0) -H(0) 6.795e-15 - H2 3.398e-15 3.641e-15 -14.469 -14.439 0.030 28.61 +H(0) 6.778e-15 + H2 3.389e-15 3.631e-15 -14.470 -14.440 0.030 28.61 Na 3.001e-01 Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.948e-18 2.087e-18 -17.711 -17.681 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.541 -63.511 0.030 30.40 + O2 0.000e+00 0.000e+00 -63.539 -63.509 0.030 30.40 ------------------------------Saturation indices------------------------------- @@ -4339,7 +4282,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.728 -40.698 0.030 28.61 Na 3.001e-01 Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.947e-18 2.087e-18 -17.711 -17.681 0.030 (0) O(0) 1.901e-11 O2 9.505e-12 1.018e-11 -11.022 -10.992 0.030 30.40 @@ -4415,7 +4357,6 @@ H(0) 3.935e-08 H2 1.968e-08 2.259e-08 -7.706 -7.646 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.961e-18 4.548e-18 -17.402 -17.342 0.060 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -77.166 -77.106 0.060 30.40 @@ -4464,7 +4405,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 10.889 Adjusted to redox equilibrium + pe = 10.890 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54376 Density (g/cm³) = 1.02090 Volume (L) = 1013.88417 @@ -4492,13 +4433,12 @@ Reaction 1. Cl 6.001e-01 Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) -H(0) 2.351e-39 - H2 1.175e-39 1.350e-39 -38.930 -38.870 0.060 28.61 +H(0) 2.340e-39 + H2 1.170e-39 1.343e-39 -38.932 -38.872 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) -O(0) 3.826e-15 - O2 1.913e-15 2.196e-15 -14.718 -14.658 0.060 30.40 +O(0) 3.863e-15 + O2 1.931e-15 2.218e-15 -14.714 -14.654 0.060 30.40 ------------------------------Saturation indices------------------------------- @@ -4507,7 +4447,7 @@ O(0) 3.826e-15 H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -11.77 -14.66 -2.89 O2 + O2(g) -11.76 -14.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4571,7 +4511,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.286 -42.226 0.060 28.61 Na 6.001e-01 Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.047e-18 3.498e-18 -17.516 -17.456 0.060 (0) O(0) 1.975e-08 O2 9.875e-09 1.134e-08 -8.005 -7.945 0.060 30.40 @@ -4647,7 +4586,6 @@ H(0) 1.180e-07 H2 5.900e-08 7.259e-08 -7.229 -7.139 0.090 28.61 Na 9.001e-01 Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 7.002e-18 8.615e-18 -17.155 -17.065 0.090 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -78.219 -78.129 0.090 30.40 @@ -4696,7 +4634,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 11.032 Adjusted to redox equilibrium + pe = 11.033 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77171 Density (g/cm³) = 1.03232 Volume (L) = 1019.65161 @@ -4724,13 +4662,12 @@ Reaction 1. Cl 9.001e-01 Cl- 9.001e-01 5.528e-01 -0.046 -0.257 -0.212 18.90 HCl 8.521e-09 2.059e-08 -8.070 -7.686 0.383 (0) -H(0) 1.158e-39 - H2 5.792e-40 7.125e-40 -39.237 -39.147 0.090 28.61 +H(0) 1.157e-39 + H2 5.784e-40 7.116e-40 -39.238 -39.148 0.090 28.61 Na 9.001e-01 Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 4.819e-18 5.929e-18 -17.317 -17.227 0.090 (0) -O(0) 1.254e-14 - O2 6.271e-15 7.716e-15 -14.203 -14.113 0.090 30.40 +O(0) 1.258e-14 + O2 6.288e-15 7.736e-15 -14.201 -14.111 0.090 30.40 ------------------------------Saturation indices------------------------------- @@ -4803,7 +4740,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.574 -42.484 0.090 28.61 Na 9.001e-01 Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 3.315e-18 4.079e-18 -17.479 -17.389 0.090 (0) O(0) 5.908e-08 O2 2.954e-08 3.634e-08 -7.530 -7.440 0.090 30.40 @@ -4879,7 +4815,6 @@ H(0) 2.358e-07 H2 1.179e-07 1.554e-07 -6.928 -6.808 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 1.208e-17 1.593e-17 -16.918 -16.798 0.120 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -78.919 -78.799 0.120 30.40 @@ -4928,7 +4863,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.962 Charge balance - pe = 11.012 Adjusted to redox equilibrium + pe = 11.013 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98017 Density (g/cm³) = 1.04347 Volume (L) = 1025.55523 @@ -4956,13 +4891,12 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.345e-09 2.705e-08 -8.079 -7.568 0.511 (0) -H(0) 1.209e-39 - H2 6.043e-40 7.966e-40 -39.219 -39.099 0.120 28.61 +H(0) 1.201e-39 + H2 6.005e-40 7.917e-40 -39.221 -39.101 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.036e-18 7.957e-18 -17.219 -17.099 0.120 (0) -O(0) 9.170e-15 - O2 4.585e-15 6.044e-15 -14.339 -14.219 0.120 30.40 +O(0) 9.284e-15 + O2 4.642e-15 6.120e-15 -14.333 -14.213 0.120 30.40 ------------------------------Saturation indices------------------------------- @@ -4971,7 +4905,7 @@ O(0) 9.170e-15 H2(g) -36.00 -39.10 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -11.33 -14.22 -2.89 O2 + O2(g) -11.32 -14.21 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5035,7 +4969,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.774 -42.654 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 3.011e-18 3.969e-18 -17.521 -17.401 0.120 (0) O(0) 1.180e-07 O2 5.900e-08 7.777e-08 -7.229 -7.109 0.120 30.40 @@ -5081,7 +5014,7 @@ Reaction 0. pH = 7.411 Charge balance pe = -5.708 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 117096 + Specific Conductance (µS/cm, 25°C) = 117095 Density (g/cm³) = 1.05438 Volume (L) = 1031.57510 Viscosity (mPa s) = 1.02195 @@ -5111,7 +5044,6 @@ H(0) 3.929e-07 H2 1.965e-07 2.775e-07 -6.707 -6.557 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 2.024e-17 2.859e-17 -16.694 -16.544 0.150 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -79.462 -79.312 0.150 30.40 @@ -5188,13 +5120,12 @@ Reaction 1. Cl 1.500e+00 Cl- 1.500e+00 8.866e-01 0.176 -0.052 -0.228 19.14 HCl 7.713e-09 3.355e-08 -8.113 -7.474 0.638 (0) -H(0) 1.018e-39 - H2 5.092e-40 7.193e-40 -39.293 -39.143 0.150 28.61 +H(0) 1.020e-39 + H2 5.099e-40 7.202e-40 -39.293 -39.143 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 7.151e-18 1.010e-17 -17.146 -16.996 0.150 (0) -O(0) 1.027e-14 - O2 5.137e-15 7.257e-15 -14.289 -14.139 0.150 30.40 +O(0) 1.025e-14 + O2 5.124e-15 7.238e-15 -14.290 -14.140 0.150 30.40 ------------------------------Saturation indices------------------------------- @@ -5267,7 +5198,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.934 -42.784 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 2.519e-18 3.559e-18 -17.599 -17.449 0.150 (0) O(0) 1.965e-07 O2 9.827e-08 1.388e-07 -7.008 -6.858 0.150 30.40 @@ -5343,7 +5273,6 @@ H(0) 5.893e-07 H2 2.946e-07 4.460e-07 -6.531 -6.351 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 3.228e-17 4.886e-17 -16.491 -16.311 0.180 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -79.913 -79.733 0.180 30.40 @@ -5392,7 +5321,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = 11.048 Adjusted to redox equilibrium + pe = 11.047 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 134522 Density (g/cm³) = 1.06505 Volume (L) = 1037.69796 @@ -5420,13 +5349,12 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 HCl 6.871e-09 4.010e-08 -8.163 -7.397 0.766 (0) -H(0) 9.140e-40 - H2 4.570e-40 6.917e-40 -39.340 -39.160 0.180 28.61 +H(0) 9.188e-40 + H2 4.594e-40 6.954e-40 -39.338 -39.158 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.183e-18 1.239e-17 -17.087 -16.907 0.180 (0) -O(0) 1.015e-14 - O2 5.074e-15 7.679e-15 -14.295 -14.115 0.180 30.40 +O(0) 1.004e-14 + O2 5.020e-15 7.598e-15 -14.299 -14.119 0.180 30.40 ------------------------------Saturation indices------------------------------- @@ -5435,7 +5363,7 @@ O(0) 1.015e-14 H2(g) -36.06 -39.16 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.39 0.18 1.57 NaCl - O2(g) -11.22 -14.11 -2.89 O2 + O2(g) -11.23 -14.12 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5499,7 +5427,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.072 -42.892 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 2.066e-18 3.127e-18 -17.685 -17.505 0.180 (0) O(0) 2.947e-07 O2 1.474e-07 2.230e-07 -6.832 -6.652 0.180 30.40 @@ -5575,7 +5502,6 @@ H(0) 8.249e-07 H2 4.125e-07 6.690e-07 -6.385 -6.175 0.210 28.61 Na 2.100e+00 Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 - NaOH 4.880e-17 7.914e-17 -16.312 -16.102 0.210 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.305 -80.095 0.210 30.40 @@ -5624,7 +5550,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.060 Adjusted to redox equilibrium + pe = 11.061 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 150388 Density (g/cm³) = 1.07551 Volume (L) = 1043.91411 @@ -5652,13 +5578,12 @@ Reaction 1. Cl 2.100e+00 Cl- 2.100e+00 1.222e+00 0.322 0.087 -0.235 19.32 HCl 5.965e-09 4.671e-08 -8.224 -7.331 0.894 (0) -H(0) 8.172e-40 - H2 4.086e-40 6.627e-40 -39.389 -39.179 0.210 28.61 +H(0) 8.125e-40 + H2 4.062e-40 6.589e-40 -39.391 -39.181 0.210 28.61 Na 2.100e+00 Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 - NaOH 9.143e-18 1.483e-17 -17.039 -16.829 0.210 (0) -O(0) 1.009e-14 - O2 5.047e-15 8.186e-15 -14.297 -14.087 0.210 30.40 +O(0) 1.021e-14 + O2 5.106e-15 8.281e-15 -14.292 -14.082 0.210 30.40 ------------------------------Saturation indices------------------------------- @@ -5667,7 +5592,7 @@ O(0) 1.009e-14 H2(g) -36.08 -39.18 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.24 0.33 1.57 NaCl - O2(g) -11.19 -14.09 -2.89 O2 + O2(g) -11.19 -14.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5731,7 +5656,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.194 -42.984 0.210 28.61 Na 2.100e+00 Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 - NaOH 1.705e-18 2.764e-18 -17.768 -17.558 0.210 (0) O(0) 4.125e-07 O2 2.063e-07 3.345e-07 -6.686 -6.476 0.210 30.40 @@ -5777,7 +5701,7 @@ Reaction 0. pH = 7.798 Charge balance pe = -6.363 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 164778 + Specific Conductance (µS/cm, 25°C) = 164777 Density (g/cm³) = 1.08575 Volume (L) = 1050.21609 Viscosity (mPa s) = 1.12445 @@ -5807,7 +5731,6 @@ H(0) 1.100e-06 H2 5.499e-07 9.557e-07 -6.260 -6.020 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 7.026e-17 1.221e-16 -16.153 -15.913 0.240 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.655 -80.415 0.240 30.40 @@ -5856,7 +5779,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -1.676 Adjusted to redox equilibrium + pe = -1.662 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 164777 Density (g/cm³) = 1.08575 Volume (L) = 1050.21611 @@ -5884,22 +5807,21 @@ Reaction 1. Cl 2.400e+00 Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 HCl 5.080e-09 5.338e-08 -8.294 -7.273 1.021 (0) -H(0) 2.277e-14 - H2 1.138e-14 1.978e-14 -13.944 -13.704 0.240 28.61 +H(0) 2.126e-14 + H2 1.063e-14 1.847e-14 -13.974 -13.734 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 1.004e-17 1.745e-17 -16.998 -16.758 0.240 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.287 -65.047 0.240 30.40 + O2 0.000e+00 0.000e+00 -65.227 -64.987 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -10.60 -13.70 -3.10 H2 + H2(g) -10.63 -13.73 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.11 0.46 1.57 NaCl - O2(g) -62.15 -65.05 -2.89 O2 + O2(g) -62.09 -64.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5963,7 +5885,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.307 -43.067 0.240 28.61 Na 2.400e+00 Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 - NaOH 1.427e-18 2.480e-18 -17.846 -17.606 0.240 (0) O(0) 5.500e-07 O2 2.750e-07 4.779e-07 -6.561 -6.321 0.240 30.40 @@ -6039,7 +5960,6 @@ H(0) 1.414e-06 H2 7.070e-07 1.317e-06 -6.151 -5.881 0.270 28.61 Na 2.700e+00 Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 - NaOH 9.710e-17 1.808e-16 -16.013 -15.743 0.270 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -80.973 -80.703 0.270 30.40 @@ -6088,7 +6008,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.659 Adjusted to redox equilibrium + pe = -1.655 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 177769 Density (g/cm³) = 1.09578 Volume (L) = 1056.59798 @@ -6116,13 +6036,12 @@ Reaction 1. Cl 2.700e+00 Cl- 2.700e+00 1.563e+00 0.431 0.194 -0.237 19.48 HCl 4.263e-09 6.010e-08 -8.370 -7.221 1.149 (0) -H(0) 1.969e-14 - H2 9.843e-15 1.833e-14 -14.007 -13.737 0.270 28.61 +H(0) 1.937e-14 + H2 9.685e-15 1.803e-14 -14.014 -13.744 0.270 28.61 Na 2.700e+00 Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 - NaOH 1.089e-17 2.027e-17 -16.963 -16.693 0.270 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.260 -64.990 0.270 30.40 + O2 0.000e+00 0.000e+00 -65.246 -64.976 0.270 30.40 ------------------------------Saturation indices------------------------------- @@ -6131,7 +6050,7 @@ O(0) 0.000e+00 H2(g) -10.64 -13.74 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -0.98 0.59 1.57 NaCl - O2(g) -62.10 -64.99 -2.89 O2 + O2(g) -62.08 -64.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6195,7 +6114,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.411 -43.141 0.270 28.61 Na 2.700e+00 Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 - NaOH 1.213e-18 2.259e-18 -17.916 -17.646 0.270 (0) O(0) 7.071e-07 O2 3.535e-07 6.583e-07 -6.452 -6.182 0.270 30.40 @@ -6271,7 +6189,6 @@ H(0) 1.767e-06 H2 8.837e-07 1.763e-06 -6.054 -5.754 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.297e-16 2.588e-16 -15.887 -15.587 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.266 -80.966 0.300 30.40 @@ -6320,7 +6237,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.712 Adjusted to redox equilibrium + pe = -1.709 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189441 Density (g/cm³) = 1.10562 Volume (L) = 1063.05481 @@ -6348,22 +6265,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.536e-09 6.688e-08 -8.452 -7.175 1.277 (0) -H(0) 2.352e-14 - H2 1.176e-14 2.347e-14 -13.930 -13.630 0.300 28.61 +H(0) 2.319e-14 + H2 1.159e-14 2.313e-14 -13.936 -13.636 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.168e-17 2.331e-17 -16.933 -16.632 0.300 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.514 -65.214 0.300 30.40 + O2 0.000e+00 0.000e+00 -65.502 -65.202 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -10.53 -13.63 -3.10 H2 + H2(g) -10.53 -13.64 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -62.32 -65.21 -2.89 O2 + O2(g) -62.31 -65.20 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6427,7 +6343,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.509 -43.209 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.045e-18 2.086e-18 -17.981 -17.681 0.300 (0) O(0) 8.838e-07 O2 4.419e-07 8.817e-07 -6.355 -6.055 0.300 30.40 @@ -6503,7 +6418,6 @@ H(0) 2.160e-06 H2 1.080e-06 2.309e-06 -5.967 -5.637 0.330 28.61 Na 3.300e+00 Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 - NaOH 1.684e-16 3.601e-16 -15.774 -15.444 0.330 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -81.540 -81.210 0.330 30.40 @@ -6552,7 +6466,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.750 Adjusted to redox equilibrium + pe = -1.749 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 199870 Density (g/cm³) = 1.11526 Volume (L) = 1069.58245 @@ -6580,22 +6494,21 @@ Reaction 1. Cl 3.300e+00 Cl- 3.300e+00 1.914e+00 0.519 0.282 -0.237 19.62 HCl 2.904e-09 7.371e-08 -8.537 -7.132 1.405 (0) -H(0) 2.614e-14 - H2 1.307e-14 2.794e-14 -13.884 -13.554 0.330 28.61 +H(0) 2.604e-14 + H2 1.302e-14 2.784e-14 -13.885 -13.555 0.330 28.61 Na 3.300e+00 Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 - NaOH 1.243e-17 2.658e-17 -16.905 -16.575 0.330 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.706 -65.376 0.330 30.40 + O2 0.000e+00 0.000e+00 -65.703 -65.373 0.330 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -10.45 -13.55 -3.10 H2 + H2(g) -10.45 -13.56 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.77 0.80 1.57 NaCl - O2(g) -62.48 -65.38 -2.89 O2 + O2(g) -62.48 -65.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6659,7 +6572,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.603 -43.273 0.330 28.61 Na 3.300e+00 Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 - NaOH 9.116e-19 1.949e-18 -18.040 -17.710 0.330 (0) O(0) 1.080e-06 O2 5.401e-07 1.155e-06 -6.268 -5.938 0.330 30.40 @@ -6742,7 +6654,7 @@ Initial solution 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.005e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.737e-19 + Total alkalinity (eq/kg) = 2.069e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -4.848e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6765,7 +6677,6 @@ H(0) 1.483e-25 H2 7.417e-26 7.590e-26 -25.130 -25.120 0.010 28.61 Na 1.005e-01 Na+ 1.005e-01 7.885e-02 -0.998 -1.103 -0.105 -1.09 - NaOH 7.506e-19 7.681e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.154 -42.143 0.010 30.40 @@ -6801,7 +6712,7 @@ Initial solution 2. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.256e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.020e-17 + Total alkalinity (eq/kg) = -1.113e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.750e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6824,7 +6735,6 @@ H(0) 1.486e-25 H2 7.429e-26 7.647e-26 -25.129 -25.117 0.013 28.61 Na 1.256e-01 Na+ 1.256e-01 9.702e-02 -0.901 -1.013 -0.112 -1.04 - NaOH 9.140e-19 9.408e-19 -18.039 -18.026 0.013 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.163 -42.151 0.013 30.40 @@ -6860,7 +6770,7 @@ Initial solution 3. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.508e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.273e-18 + Total alkalinity (eq/kg) = -2.361e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -4.729e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6883,7 +6793,6 @@ H(0) 1.487e-25 H2 7.434e-26 7.697e-26 -25.129 -25.114 0.015 28.61 Na 1.508e-01 Na+ 1.508e-01 1.150e-01 -0.821 -0.939 -0.118 -1.00 - NaOH 1.072e-18 1.110e-18 -17.970 -17.955 0.015 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.172 -42.157 0.015 30.40 @@ -6919,7 +6828,7 @@ Initial solution 4. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.761e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.524e-18 + Total alkalinity (eq/kg) = 3.288e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.051e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6942,7 +6851,6 @@ H(0) 1.487e-25 H2 7.433e-26 7.741e-26 -25.129 -25.111 0.018 28.61 Na 1.761e-01 Na+ 1.761e-01 1.328e-01 -0.754 -0.877 -0.123 -0.96 - NaOH 1.227e-18 1.278e-18 -17.911 -17.894 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.180 -42.163 0.018 30.40 @@ -6978,7 +6886,7 @@ Initial solution 5. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.183e-17 + Total alkalinity (eq/kg) = 2.043e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -2.034e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7001,7 +6909,6 @@ H(0) 1.486e-25 H2 7.428e-26 7.780e-26 -25.129 -25.109 0.020 28.61 Na 2.013e-01 Na+ 2.013e-01 1.505e-01 -0.696 -0.823 -0.126 -0.93 - NaOH 1.378e-18 1.443e-18 -17.861 -17.841 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.188 -42.168 0.020 30.40 @@ -7037,7 +6944,7 @@ Initial solution 6. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.518e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.249e-17 + Total alkalinity (eq/kg) = 1.076e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -5.723e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7060,7 +6967,6 @@ H(0) 1.481e-25 H2 7.407e-26 7.849e-26 -25.130 -25.105 0.025 28.61 Na 2.518e-01 Na+ 2.518e-01 1.857e-01 -0.599 -0.731 -0.132 -0.87 - NaOH 1.670e-18 1.769e-18 -17.777 -17.752 0.025 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.202 -42.177 0.025 30.40 @@ -7096,7 +7002,7 @@ Initial solution 7. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.025e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.808e-17 + Total alkalinity (eq/kg) = -3.006e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.248e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7119,7 +7025,6 @@ H(0) 1.475e-25 H2 7.377e-26 7.909e-26 -25.132 -25.102 0.030 28.61 Na 3.025e-01 Na+ 3.025e-01 2.208e-01 -0.519 -0.656 -0.137 -0.81 - NaOH 1.952e-18 2.093e-18 -17.710 -17.679 0.030 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.215 -42.185 0.030 30.40 @@ -7155,7 +7060,7 @@ Initial solution 8. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.041e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.565e-18 + Total alkalinity (eq/kg) = -1.211e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.348e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7178,7 +7083,6 @@ H(0) 1.459e-25 H2 7.297e-26 8.009e-26 -25.137 -25.096 0.040 28.61 Na 4.041e-01 Na+ 4.041e-01 2.914e-01 -0.394 -0.535 -0.142 -0.71 - NaOH 2.492e-18 2.735e-18 -17.603 -17.563 0.040 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.240 -42.199 0.040 30.40 @@ -7214,7 +7118,7 @@ Initial solution 9. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.060e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.379e-17 + Total alkalinity (eq/kg) = -6.685e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.175e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7237,7 +7141,6 @@ H(0) 1.441e-25 H2 7.203e-26 8.093e-26 -25.143 -25.092 0.051 28.61 Na 5.060e-01 Na+ 5.060e-01 3.630e-01 -0.296 -0.440 -0.144 -0.63 - NaOH 3.006e-18 3.378e-18 -17.522 -17.471 0.051 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.262 -42.211 0.051 30.40 @@ -7273,7 +7176,7 @@ Initial solution 10. Activity of water = 0.979 Ionic strength (mol/kgw) = 6.084e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.657e-17 + Total alkalinity (eq/kg) = -3.976e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 7.591e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7296,7 +7199,6 @@ H(0) 1.420e-25 H2 7.098e-26 8.166e-26 -25.149 -25.088 0.061 28.61 Na 6.084e-01 Na+ 6.084e-01 4.361e-01 -0.216 -0.360 -0.145 -0.55 - NaOH 3.499e-18 4.025e-18 -17.456 -17.395 0.061 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.283 -42.222 0.061 30.40 @@ -7332,7 +7234,7 @@ Initial solution 11. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.112e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.872e-18 + Total alkalinity (eq/kg) = -2.219e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 3.835e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7355,7 +7257,6 @@ H(0) 1.398e-25 H2 6.989e-26 8.232e-26 -25.156 -25.084 0.071 28.61 Na 7.112e-01 Na+ 7.112e-01 5.110e-01 -0.148 -0.292 -0.144 -0.48 - NaOH 3.973e-18 4.680e-18 -17.401 -17.330 0.071 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.303 -42.232 0.071 30.40 @@ -7391,7 +7292,7 @@ Initial solution 12. Activity of water = 0.972 Ionic strength (mol/kgw) = 8.144e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.076e-18 + Total alkalinity (eq/kg) = -3.486e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.528e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7414,7 +7315,6 @@ H(0) 1.375e-25 H2 6.875e-26 8.293e-26 -25.163 -25.081 0.081 28.61 Na 8.144e-01 Na+ 8.144e-01 5.879e-01 -0.089 -0.231 -0.142 -0.41 - NaOH 4.431e-18 5.345e-18 -17.353 -17.272 0.081 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.323 -42.242 0.081 30.40 @@ -7450,9 +7350,9 @@ Initial solution 13. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.180e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.608e-17 + Total alkalinity (eq/kg) = 4.106e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.804e-15 + Electrical balance (eq) = 4.805e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (52 overall) Total H = 1.110124e+02 @@ -7473,7 +7373,6 @@ H(0) 1.352e-25 H2 6.759e-26 8.350e-26 -25.170 -25.078 0.092 28.61 Na 9.180e-01 Na+ 9.180e-01 6.671e-01 -0.037 -0.176 -0.139 -0.35 - NaOH 4.875e-18 6.023e-18 -17.312 -17.220 0.092 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.343 -42.251 0.092 30.40 @@ -7509,9 +7408,9 @@ Initial solution 14. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.163e-16 + Total alkalinity (eq/kg) = 1.108e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.496e-16 + Electrical balance (eq) = 9.497e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (56 overall) Total H = 1.110124e+02 @@ -7532,7 +7431,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.30 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 @@ -7568,7 +7466,7 @@ Initial solution 15. Activity of water = 0.958 Ionic strength (mol/kgw) = 1.231e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.383e-14 + Total alkalinity (eq/kg) = -6.384e-14 Temperature (°C) = 25.00 Electrical balance (eq) = 5.292e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7591,7 +7489,6 @@ H(0) 1.280e-25 H2 6.402e-26 8.501e-26 -25.194 -25.071 0.123 28.61 Na 1.231e+00 Na+ 1.231e+00 9.201e-01 0.090 -0.036 -0.127 -0.19 - NaOH 6.132e-18 8.143e-18 -17.212 -17.089 0.123 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.399 -42.276 0.123 30.40 @@ -7650,7 +7547,6 @@ H(0) 1.232e-25 H2 6.160e-26 8.587e-26 -25.210 -25.066 0.144 28.61 Na 1.443e+00 Na+ 1.443e+00 1.103e+00 0.159 0.043 -0.116 -0.09 - NaOH 6.917e-18 9.642e-18 -17.160 -17.016 0.144 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.436 -42.291 0.144 30.40 @@ -7709,7 +7605,6 @@ H(0) 1.183e-25 H2 5.917e-26 8.663e-26 -25.228 -25.062 0.166 28.61 Na 1.656e+00 Na+ 1.656e+00 1.300e+00 0.219 0.114 -0.105 0.00 - NaOH 7.665e-18 1.122e-17 -17.115 -16.950 0.166 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.471 -42.306 0.166 30.40 @@ -7745,7 +7640,7 @@ Initial solution 18. Activity of water = 0.936 Ionic strength (mol/kgw) = 1.871e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.554e-13 + Total alkalinity (eq/kg) = -3.555e-13 Temperature (°C) = 25.00 Electrical balance (eq) = 2.629e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7768,7 +7663,6 @@ H(0) 1.135e-25 H2 5.674e-26 8.729e-26 -25.246 -25.059 0.187 28.61 Na 1.871e+00 Na+ 1.871e+00 1.510e+00 0.272 0.179 -0.093 0.09 - NaOH 8.381e-18 1.289e-17 -17.077 -16.890 0.187 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.506 -42.319 0.187 30.40 @@ -7827,7 +7721,6 @@ H(0) 1.086e-25 H2 5.432e-26 8.784e-26 -25.265 -25.056 0.209 28.61 Na 2.087e+00 Na+ 2.087e+00 1.737e+00 0.320 0.240 -0.080 0.17 - NaOH 9.067e-18 1.466e-17 -17.043 -16.834 0.209 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.540 -42.331 0.209 30.40 @@ -7863,9 +7756,9 @@ Initial solution 20. Activity of water = 0.910 Ionic strength (mol/kgw) = 2.638e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.497e-17 + Total alkalinity (eq/kg) = -6.606e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.314e-17 + Electrical balance (eq) = 7.335e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (75 overall) Total H = 1.110124e+02 @@ -7886,7 +7779,6 @@ H(0) 9.672e-26 H2 4.836e-26 8.878e-26 -25.316 -25.052 0.264 28.61 Na 2.638e+00 Na+ 2.638e+00 2.382e+00 0.421 0.377 -0.044 0.37 - NaOH 1.067e-17 1.960e-17 -16.972 -16.708 0.264 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.622 -42.358 0.264 30.40 @@ -7945,7 +7837,6 @@ H(0) 8.528e-26 H2 4.264e-26 8.914e-26 -25.370 -25.050 0.320 28.61 Na 3.203e+00 Na+ 3.203e+00 3.159e+00 0.505 0.500 -0.006 0.54 - NaOH 1.215e-17 2.539e-17 -16.916 -16.595 0.320 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.701 -42.380 0.320 30.40 @@ -7981,7 +7872,7 @@ Initial solution 22. Activity of water = 0.871 Ionic strength (mol/kgw) = 3.781e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.847e-17 + Total alkalinity (eq/kg) = 5.450e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 7.996e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8004,7 +7895,6 @@ H(0) 7.452e-26 H2 3.726e-26 8.898e-26 -25.429 -25.051 0.378 28.61 Na 3.781e+00 Na+ 3.781e+00 4.098e+00 0.578 0.613 0.035 0.71 - NaOH 1.350e-17 3.224e-17 -16.870 -16.492 0.378 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.776 -42.398 0.378 30.40 @@ -8040,7 +7930,7 @@ Initial solution 23. Activity of water = 0.851 Ionic strength (mol/kgw) = 4.374e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.237e-16 + Total alkalinity (eq/kg) = -6.393e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 3.988e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8063,7 +7953,6 @@ H(0) 6.457e-26 H2 3.229e-26 8.839e-26 -25.491 -25.054 0.437 28.61 Na 4.374e+00 Na+ 4.374e+00 5.236e+00 0.641 0.719 0.078 0.87 - NaOH 1.475e-17 4.038e-17 -16.831 -16.394 0.437 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.850 -42.413 0.437 30.40 @@ -8099,7 +7988,7 @@ Initial solution 24. Activity of water = 0.831 Ionic strength (mol/kgw) = 4.983e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.442e-16 + Total alkalinity (eq/kg) = -9.607e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 7.640e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8122,7 +8011,6 @@ H(0) 5.552e-26 H2 2.776e-26 8.743e-26 -25.557 -25.058 0.498 28.61 Na 4.983e+00 Na+ 4.983e+00 6.620e+00 0.697 0.821 0.123 1.02 - NaOH 1.590e-17 5.008e-17 -16.799 -16.300 0.498 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.923 -42.425 0.498 30.40 @@ -8158,7 +8046,7 @@ Initial solution 25. Activity of water = 0.809 Ionic strength (mol/kgw) = 5.609e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.761e-16 + Total alkalinity (eq/kg) = -7.932e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.221e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8181,7 +8069,6 @@ H(0) 4.737e-26 H2 2.368e-26 8.618e-26 -25.626 -25.065 0.561 28.61 Na 5.609e+00 Na+ 5.609e+00 8.308e+00 0.749 0.919 0.171 1.16 - NaOH 1.695e-17 6.168e-17 -16.771 -16.210 0.561 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.995 -42.435 0.561 30.40 @@ -8217,7 +8104,7 @@ Initial solution 26. Activity of water = 0.794 Ionic strength (mol/kgw) = 6.059e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.047e-17 + Total alkalinity (eq/kg) = 3.155e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.259e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8240,7 +8127,6 @@ H(0) 4.220e-26 H2 2.110e-26 8.514e-26 -25.676 -25.070 0.606 28.61 Na 6.059e+00 Na+ 6.059e+00 9.709e+00 0.782 0.987 0.205 1.27 - NaOH 1.763e-17 7.115e-17 -16.754 -16.148 0.606 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.047 -42.441 0.606 30.40 diff --git a/mytest/SC_Ohm1_101.sel b/mytest/SC_Ohm1_101.sel index 45dd6e9a5..13818b9c5 100644 --- a/mytest/SC_Ohm1_101.sel +++ b/mytest/SC_Ohm1_101.sel @@ -1,59 +1,59 @@ Mu SC - 0.000100101771 12.5233835056 - 0.000100101771 12.5233835056 - 0.000100101772 12.5233835052 - 0.000100101772 12.5233835058 - 0.000100101772 12.5233835058 - 0.600100142108 54376.1993256834 - 1.200100149603 98017.9623273613 - 1.800100154272 134522.0122757331 - 2.400100157494 164777.9500921716 - 3.000100159641 189441.7322406285 - 3.600100160995 209133.8523601203 - 4.200100161743 224461.7679294012 - 4.800100162024 236009.4269239496 - 5.400100161938 244323.2519219551 - 6.000100161558 249901.9011781129 - 6.600100160934 253190.9622642329 - 0.000100101771 12.5233835056 - 0.000100101771 12.5233835056 - 0.000100101772 12.5233835052 - 0.000100101772 12.5233835058 - 0.000100101772 12.5233835058 - 0.300100135335 29250.0451940134 - 0.600100142108 54376.1993193861 - 0.900100146353 77171.4113392711 - 1.200100149555 98017.9623232016 - 1.500100152115 117095.9946854428 - 1.800100154224 134522.0122704265 - 2.100100155973 150388.3955170303 - 2.400100157419 164777.9500877544 - 2.700100158605 177769.8019093849 - 3.000100159565 189441.7322471731 - 3.300100160574 199870.9059813555 - 0.100470125484 10655.6565263405 - 0.125640127358 13126.5120049151 - 0.150840128932 15554.8780033244 - 0.176060130288 17945.7497999798 - 0.201310131480 20304.3961808745 - 0.251840133498 24931.8660893197 - 0.302490135171 29461.5434095456 - 0.404070137844 38265.9072626583 - 0.506030139947 46778.0439073248 - 0.608440141690 55038.7599537198 - 0.711170143181 63059.6004008349 - 0.814380144492 70867.6844891755 - 0.917990145662 78466.9011772380 - 1.022000146720 85864.6779643952 - 1.231400148575 100088.7518773125 - 1.442600150153 113570.4605137731 - 1.655600151511 126328.5371432345 - 1.870500152681 138382.2213263045 - 2.087200153685 149737.1020711032 - 2.638300155577 175203.9725601534 - 3.202500156722 196609.6310182117 - 3.780700157254 214179.4375559148 - 4.373800157288 228168.6223244359 - 4.982800156910 238859.4571150886 - 5.609200156189 246554.0359316680 - 6.058700155507 250317.2974124681 + 0.000100101771 12.5233835053 + 0.000100101771 12.5233835053 + 0.000100101772 12.5233835050 + 0.000100101772 12.5233835056 + 0.000100101772 12.5233835056 + 0.600100142108 54376.1989978503 + 1.200100149617 98017.9615500954 + 1.800100154286 134522.0110786654 + 2.400100157508 164777.9485497117 + 3.000100159655 189441.7304387398 + 3.600100161009 209133.8503811291 + 4.200100161757 224461.7658450501 + 4.800100162038 236009.4247928047 + 5.400100161952 244323.2497892520 + 6.000100161572 249901.8990769217 + 6.600100160948 253190.9602172507 + 0.000100101771 12.5233835053 + 0.000100101771 12.5233835053 + 0.000100101772 12.5233835050 + 0.000100101772 12.5233835056 + 0.000100101772 12.5233835056 + 0.300100135335 29250.0450653779 + 0.600100142108 54376.1989901587 + 0.900100146353 77171.4107868334 + 1.200100149555 98017.9615448028 + 1.500100152115 117095.9936896088 + 1.800100154224 134522.0110723787 + 2.100100155973 150388.3941358389 + 2.400100157419 164777.9485444523 + 2.700100158605 177769.8002256817 + 3.000100159565 189441.7304445677 + 3.300100160574 199870.9040805285 + 0.100470125484 10655.6564991080 + 0.125640127358 13126.5119674205 + 0.150840128932 15554.8779546759 + 0.176060130288 17945.7497393969 + 0.201310131480 20304.3961076561 + 0.251840133498 24931.8659890219 + 0.302490135171 29461.5432800602 + 0.404070137844 38265.9070697646 + 0.506030139947 46778.0436458546 + 0.608440141690 55038.7596198642 + 0.711170143181 63059.5999919675 + 0.814380144492 70867.6840034327 + 0.917990145662 78466.9006135431 + 1.022000146720 85864.6773222850 + 1.231400148575 100088.7510788619 + 1.442600150153 113570.4595623525 + 1.655600151511 126328.5360447085 + 1.870500152681 138382.2200883193 + 2.087200153685 149737.1007027142 + 2.638300155577 175203.9709100343 + 3.202500156722 196609.6291544356 + 3.780700157254 214179.4355455430 + 4.373800157288 228168.6202288827 + 4.982800156910 238859.4549872965 + 5.609200156189 246554.0338148788 + 6.058700155507 250317.2953238192 diff --git a/mytest/SC_Ohm_101.sel b/mytest/SC_Ohm_101.sel index 45dd6e9a5..13818b9c5 100644 --- a/mytest/SC_Ohm_101.sel +++ b/mytest/SC_Ohm_101.sel @@ -1,59 +1,59 @@ Mu SC - 0.000100101771 12.5233835056 - 0.000100101771 12.5233835056 - 0.000100101772 12.5233835052 - 0.000100101772 12.5233835058 - 0.000100101772 12.5233835058 - 0.600100142108 54376.1993256834 - 1.200100149603 98017.9623273613 - 1.800100154272 134522.0122757331 - 2.400100157494 164777.9500921716 - 3.000100159641 189441.7322406285 - 3.600100160995 209133.8523601203 - 4.200100161743 224461.7679294012 - 4.800100162024 236009.4269239496 - 5.400100161938 244323.2519219551 - 6.000100161558 249901.9011781129 - 6.600100160934 253190.9622642329 - 0.000100101771 12.5233835056 - 0.000100101771 12.5233835056 - 0.000100101772 12.5233835052 - 0.000100101772 12.5233835058 - 0.000100101772 12.5233835058 - 0.300100135335 29250.0451940134 - 0.600100142108 54376.1993193861 - 0.900100146353 77171.4113392711 - 1.200100149555 98017.9623232016 - 1.500100152115 117095.9946854428 - 1.800100154224 134522.0122704265 - 2.100100155973 150388.3955170303 - 2.400100157419 164777.9500877544 - 2.700100158605 177769.8019093849 - 3.000100159565 189441.7322471731 - 3.300100160574 199870.9059813555 - 0.100470125484 10655.6565263405 - 0.125640127358 13126.5120049151 - 0.150840128932 15554.8780033244 - 0.176060130288 17945.7497999798 - 0.201310131480 20304.3961808745 - 0.251840133498 24931.8660893197 - 0.302490135171 29461.5434095456 - 0.404070137844 38265.9072626583 - 0.506030139947 46778.0439073248 - 0.608440141690 55038.7599537198 - 0.711170143181 63059.6004008349 - 0.814380144492 70867.6844891755 - 0.917990145662 78466.9011772380 - 1.022000146720 85864.6779643952 - 1.231400148575 100088.7518773125 - 1.442600150153 113570.4605137731 - 1.655600151511 126328.5371432345 - 1.870500152681 138382.2213263045 - 2.087200153685 149737.1020711032 - 2.638300155577 175203.9725601534 - 3.202500156722 196609.6310182117 - 3.780700157254 214179.4375559148 - 4.373800157288 228168.6223244359 - 4.982800156910 238859.4571150886 - 5.609200156189 246554.0359316680 - 6.058700155507 250317.2974124681 + 0.000100101771 12.5233835053 + 0.000100101771 12.5233835053 + 0.000100101772 12.5233835050 + 0.000100101772 12.5233835056 + 0.000100101772 12.5233835056 + 0.600100142108 54376.1989978503 + 1.200100149617 98017.9615500954 + 1.800100154286 134522.0110786654 + 2.400100157508 164777.9485497117 + 3.000100159655 189441.7304387398 + 3.600100161009 209133.8503811291 + 4.200100161757 224461.7658450501 + 4.800100162038 236009.4247928047 + 5.400100161952 244323.2497892520 + 6.000100161572 249901.8990769217 + 6.600100160948 253190.9602172507 + 0.000100101771 12.5233835053 + 0.000100101771 12.5233835053 + 0.000100101772 12.5233835050 + 0.000100101772 12.5233835056 + 0.000100101772 12.5233835056 + 0.300100135335 29250.0450653779 + 0.600100142108 54376.1989901587 + 0.900100146353 77171.4107868334 + 1.200100149555 98017.9615448028 + 1.500100152115 117095.9936896088 + 1.800100154224 134522.0110723787 + 2.100100155973 150388.3941358389 + 2.400100157419 164777.9485444523 + 2.700100158605 177769.8002256817 + 3.000100159565 189441.7304445677 + 3.300100160574 199870.9040805285 + 0.100470125484 10655.6564991080 + 0.125640127358 13126.5119674205 + 0.150840128932 15554.8779546759 + 0.176060130288 17945.7497393969 + 0.201310131480 20304.3961076561 + 0.251840133498 24931.8659890219 + 0.302490135171 29461.5432800602 + 0.404070137844 38265.9070697646 + 0.506030139947 46778.0436458546 + 0.608440141690 55038.7596198642 + 0.711170143181 63059.5999919675 + 0.814380144492 70867.6840034327 + 0.917990145662 78466.9006135431 + 1.022000146720 85864.6773222850 + 1.231400148575 100088.7510788619 + 1.442600150153 113570.4595623525 + 1.655600151511 126328.5360447085 + 1.870500152681 138382.2200883193 + 2.087200153685 149737.1007027142 + 2.638300155577 175203.9709100343 + 3.202500156722 196609.6291544356 + 3.780700157254 214179.4355455430 + 4.373800157288 228168.6202288827 + 4.982800156910 238859.4549872965 + 5.609200156189 246554.0338148788 + 6.058700155507 250317.2953238192 diff --git a/mytest/SC_temp_101.sel b/mytest/SC_temp_101.sel index 2c2cd31b7..e98a4abd1 100644 --- a/mytest/SC_temp_101.sel +++ b/mytest/SC_temp_101.sel @@ -1,5 +1,5 @@ Mu SC 0.000000100661 0.0546997340 0.000000100661 0.0546997340 - 0.000000100645 0.0546913855 - 0.000001058119 1.1244419636 + 0.000000100645 0.0546913856 + 0.000001058119 1.1244418995 diff --git a/mytest/Sat_P_rho_101.sel b/mytest/Sat_P_rho_101.sel index 1a729a61a..4683f6623 100644 --- a/mytest/Sat_P_rho_101.sel +++ b/mytest/Sat_P_rho_101.sel @@ -3,20 +3,20 @@ 0.000000055784 0.0237724297 0.000000082523 0.0449974618 0.000000135722 0.0876717525 - 0.000000220713 0.1635804094 - 0.000000341082 0.2832816334 - 0.000000498340 0.4541577256 - 0.000000690963 0.6781520591 - 0.000000914010 0.9503501570 - 0.000001158974 1.2584862297 - 0.000001414266 1.5838767364 - 0.000001666289 1.9037150011 - 0.000001900679 2.1939482762 - 0.000002103767 2.4324620764 - 0.000002264115 2.6019724234 - 0.000002373933 2.6923543970 - 0.000002430327 2.7019050126 - 0.000002436384 2.6378478482 - 0.000002402424 2.5162501694 - 0.000002348502 2.3624445374 - 0.000002311784 2.2148169639 + 0.000000220713 0.1635804092 + 0.000000341082 0.2832816318 + 0.000000498340 0.4541577185 + 0.000000690963 0.6781520383 + 0.000000914010 0.9503501106 + 0.000001158974 1.2584861486 + 0.000001414266 1.5838766357 + 0.000001666289 1.9037149813 + 0.000001900679 2.1939488019 + 0.000002103767 2.4324708125 + 0.000002264115 2.6019683737 + 0.000002373933 2.6923518339 + 0.000002430327 2.7019029158 + 0.000002436384 2.6378460446 + 0.000002402424 2.5162486091 + 0.000002348502 2.3624431868 + 0.000002311784 2.2148157699 diff --git a/mytest/SrSO4_P.out b/mytest/SrSO4_P.out index 650edd6b6..5a6295d75 100644 --- a/mytest/SrSO4_P.out +++ b/mytest/SrSO4_P.out @@ -2035,7 +2035,7 @@ Celestite -0.00 -7.95 -7.95 1.000e+01 1.000e+01 -1.307e-04 Specific Conductance (µS/cm, 200°C) = 188 Density (g/cm³) = 0.87341 Volume (L) = 1.14497 - Viscosity (mPa s) = 0.13742 + Viscosity (mPa s) = 0.13741 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.976e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/SrSO4_P_101.sel b/mytest/SrSO4_P_101.sel index 936924f5b..485bf4d4e 100644 --- a/mytest/SrSO4_P_101.sel +++ b/mytest/SrSO4_P_101.sel @@ -1,34 +1,34 @@ Mu SC 0.000000100644 0.0547821292 - 0.002310639220 154.0776082109 - 0.002474439056 165.7830614179 - 0.002634926049 177.2975305877 - 0.002791039239 188.5550953987 - 0.002941814987 199.4871879462 - 0.003086393961 210.0286873370 - 0.003224025324 220.1202325030 - 0.003354068570 229.7093123251 - 0.003475992870 238.7507708002 - 0.003589374653 247.2069901912 - 0.000000760967 0.7555719835 - 0.001280503629 260.0317028561 - 0.001360955719 275.3039805510 - 0.001444183793 291.0072539584 - 0.001530239022 307.1381270150 - 0.001619175442 323.6905850111 - 0.001711049898 340.7515707929 - 0.001805921938 358.4125844366 - 0.001903853669 376.5575649781 - 0.002004909573 395.1929870264 - 0.002109156390 414.3257586775 - 0.000002215543 2.5502958832 - 0.000426237276 163.2690040255 - 0.000457196707 174.0620242634 - 0.000497576661 188.1497756684 - 0.000538968190 202.4340139098 - 0.000581398384 216.9671677577 - 0.000624906148 231.7420385567 - 0.000669540483 246.7768864613 - 0.000715359052 262.0909396190 - 0.000762427067 277.7051715698 - 0.000810816434 293.6420379004 + 0.002310639220 154.0776081936 + 0.002474439056 165.7830613998 + 0.002634926049 177.2975305688 + 0.002791039239 188.5550953793 + 0.002941814987 199.4871879263 + 0.003086393961 210.0286873167 + 0.003224025324 220.1202324826 + 0.003354068570 229.7093123047 + 0.003475992870 238.7507707799 + 0.003589374653 247.2069901713 + 0.000000760967 0.7555719569 + 0.001280503629 260.0317022303 + 0.001360955719 275.3039798484 + 0.001444183793 291.0072531728 + 0.001530239022 307.1381261397 + 0.001619175442 323.6905840390 + 0.001711049898 340.7515697160 + 0.001805921938 358.4125832459 + 0.001903853669 376.5575636645 + 0.002004909573 395.1929855804 + 0.002109156390 414.3257570887 + 0.000002215543 2.5502897891 + 0.000426237276 163.2690421074 + 0.000457196707 174.0620931479 + 0.000497576661 188.1501190324 + 0.000538968190 202.4338400620 + 0.000581398384 216.9670856515 + 0.000624906148 231.7419793563 + 0.000669540483 246.7768371578 + 0.000715359052 262.0908954696 + 0.000762427067 277.7051302891 + 0.000810816434 293.6419981891 diff --git a/mytest/SrSO4_tc_101.sel b/mytest/SrSO4_tc_101.sel index 5802c0b2b..58f071dd9 100644 --- a/mytest/SrSO4_tc_101.sel +++ b/mytest/SrSO4_tc_101.sel @@ -1,12 +1,12 @@ Mu SC - 0.000000109772 0.0609631456 - 0.002789500442 188.4438329430 - 0.002322758949 250.5812787021 - 0.001902325060 291.2865384794 - 0.001529362837 306.9744451100 - 0.001206588835 299.8355470586 - 0.000935089569 275.4255086714 - 0.000713559785 240.6242863038 - 0.000538548494 202.2895842664 - 0.000405213975 165.9011527656 - 0.000308439845 135.2806220586 + 0.000000109772 0.0609631457 + 0.002789500442 188.4438329235 + 0.002322758949 250.5812786148 + 0.001902325060 291.2865381663 + 0.001529362837 306.9744442357 + 0.001206588835 299.8355448824 + 0.000935089569 275.4255035597 + 0.000713559785 240.6242735147 + 0.000538548494 202.2894081315 + 0.000405213975 165.9011713058 + 0.000308439845 135.2806307087 diff --git a/mytest/SurfMixRelatedKin.out b/mytest/SurfMixRelatedKin.out index 39617d830..c13a10446 100644 --- a/mytest/SurfMixRelatedKin.out +++ b/mytest/SurfMixRelatedKin.out @@ -82,7 +82,6 @@ H(0) 1.071e-17 H2 5.353e-18 5.354e-18 -17.271 -17.271 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.652e-05 -4.000 -4.015 -0.015 -1.48 - NaOH 1.123e-25 1.123e-25 -24.950 -24.950 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.838 -57.837 0.000 30.40 @@ -422,9 +421,8 @@ H(0) 4.907e-40 Na 1.000e-04 Na+ 1.000e-04 9.599e-05 -4.000 -4.018 -0.018 -1.47 NaHCO3 4.427e-12 4.430e-12 -11.354 -11.354 0.000 31.73 - NaOH 5.243e-25 5.245e-25 -24.280 -24.280 0.000 (0) O(0) 1.384e-13 - O2 6.918e-14 6.920e-14 -13.160 -13.160 0.000 30.40 + O2 6.919e-14 6.921e-14 -13.160 -13.160 0.000 30.40 ------------------------------Saturation indices------------------------------- diff --git a/mytest/SurfMixRelatedKin_101.sel b/mytest/SurfMixRelatedKin_101.sel index 6eec8102c..8f12360f0 100644 --- a/mytest/SurfMixRelatedKin_101.sel +++ b/mytest/SurfMixRelatedKin_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000999711309 389.5324644655 0.000999711312 389.5324644763 - 0.001353627547 162.1043626640 + 0.001353627547 162.1038073632 diff --git a/mytest/SurfMixRelatedMin.out b/mytest/SurfMixRelatedMin.out index 072fc454a..eccee1c0d 100644 --- a/mytest/SurfMixRelatedMin.out +++ b/mytest/SurfMixRelatedMin.out @@ -82,7 +82,6 @@ H(0) 1.071e-17 H2 5.353e-18 5.354e-18 -17.271 -17.271 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.652e-05 -4.000 -4.015 -0.015 -1.48 - NaOH 1.123e-25 1.123e-25 -24.950 -24.950 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.838 -57.837 0.000 30.40 @@ -386,7 +385,6 @@ H(0) 0.000e+00 Na 9.999e-05 Na+ 9.816e-05 8.959e-05 -4.008 -4.048 -0.040 -1.40 NaSO4- 1.837e-06 1.679e-06 -5.736 -5.775 -0.039 -15.91 - NaOH 1.218e-25 1.220e-25 -24.914 -24.914 0.001 (0) O(0) 6.869e-11 O2 3.434e-11 3.441e-11 -10.464 -10.463 0.001 30.40 S(-2) 0.000e+00 diff --git a/mytest/Tn_M_M2Cl_101.sel b/mytest/Tn_M_M2Cl_101.sel index 69b49e8ff..707ab6de7 100644 --- a/mytest/Tn_M_M2Cl_101.sel +++ b/mytest/Tn_M_M2Cl_101.sel @@ -16,61 +16,61 @@ 8.000000000000 868235.3474396099 9.000000000000 843511.8349274942 10.000000000000 811176.9874107051 - 0.010000111363 1177.7201637397 - 0.020000115215 2301.7966457840 - 0.050000121878 5523.3578401046 - 0.100000127935 10609.0359444543 - 0.200000134161 20182.8319703881 - 0.250000135972 24765.3557430889 - 0.500000139689 46282.9118502483 - 0.750000139309 66025.8253394780 - 1.000000137086 84318.7575446503 - 1.250000133840 101310.2730384669 - 1.500000129973 117089.9055197655 - 1.750000125722 131722.6701478966 - 2.000000121238 145262.4544013121 - 2.250000116625 157757.9740730330 - 2.500000111958 169255.5913832494 - 2.750000107289 179800.6476075868 - 3.000000102661 189438.0401010527 - 3.500000093640 206168.0610498296 - 4.000000085057 219798.2343040838 - 4.500000077000 230671.0303611087 - 5.000000069511 239112.8738724286 - 5.500000062601 245429.2020269395 - 6.000000056261 249901.1881432927 - 0.001000104227 146.2886029574 - 0.002010105672 291.7432201219 - 0.005020108402 718.1332673181 - 0.010030111294 1413.0949204548 - 0.020070115070 2771.5957181347 - 0.050220121495 6696.5005628822 - 0.100580127164 12967.4357788394 - 0.201720132665 24981.3975224482 - 0.508690136403 59026.1450876710 - 1.032800131721 112317.0940288479 - 3.313000093918 296136.4187553453 - 0.301109855805 18136.4976932563 - 0.604244781603 33299.7352725860 - 1.211729676060 59448.7554000176 - 1.519799627669 71102.3609984999 - 1.519799627669 71102.3609984999 - 3.080399378439 117620.2908352502 - 4.041149211875 137480.3581312029 - 6.304798767604 161659.4309629942 - 7.299448546564 163637.2502065022 - 10.117497828011 150072.6365010090 - 11.211297513640 140480.4877601083 - 0.007530111670 624.0200492526 - 0.015040116296 1209.6501241766 - 0.015040116296 1209.6501241766 - 0.030050122678 2334.7988021283 - 0.030050122678 2334.7988021283 - 0.045250127540 3419.4282668317 - 0.075300134969 5492.1029287037 - 0.075300134969 5492.1029287037 - 0.105350140940 7485.5571078051 - 0.150400148519 10352.2585334083 - 0.150400148519 10352.2585334083 - 0.226100159170 15013.1297356175 - 0.302500168734 19471.2954748920 + 0.010000111363 1177.7201629138 + 0.020000115215 2301.7966433878 + 0.050000121878 5523.3578306510 + 0.100000127935 10609.0359183574 + 0.200000134161 20182.8319001066 + 0.250000135972 24765.3556471265 + 0.500000139689 46282.9116070467 + 0.750000139309 66025.8249374562 + 1.000000137086 84318.7569874028 + 1.250000133840 101310.2723378449 + 1.500000129973 117089.9046922482 + 1.750000125722 131722.6692123146 + 2.000000121238 145262.4533773167 + 2.250000116625 157757.9729800459 + 2.500000111958 169255.5902397523 + 2.750000107289 179800.6464306594 + 3.000000102661 189438.0389060979 + 3.500000093640 206168.0598577473 + 4.000000085057 219798.2331547418 + 4.500000077000 230671.0292812597 + 5.000000069511 239112.8728779670 + 5.500000062601 245429.2011253605 + 6.000000056261 249901.1873359738 + 0.001000104227 146.2886029689 + 0.002010105672 291.7432201233 + 0.005020108402 718.1332672198 + 0.010030111294 1413.0949200413 + 0.020070115070 2771.5957167159 + 0.050220121495 6696.5005565343 + 0.100580127164 12967.4357601573 + 0.201720132665 24981.3974692850 + 0.508690136403 59026.1448876051 + 1.032800131721 112317.0935216303 + 3.313000093918 296136.4172145025 + 0.301109855805 18136.4976379632 + 0.604244781603 33299.7351471508 + 1.211729676060 59448.7551412971 + 1.519799627669 71102.3606855036 + 1.519799627669 71102.3606855036 + 3.080399378439 117620.2904164832 + 4.041149211875 137480.3577503470 + 6.304798767604 161659.4307562233 + 7.299448546564 163637.2500650633 + 10.117497828011 150072.6364622259 + 11.211297513640 140480.4877378646 + 0.007530111670 624.0200486307 + 0.015040116296 1209.6501224929 + 0.015040116296 1209.6501224929 + 0.030050122678 2334.7987975375 + 0.030050122678 2334.7987975375 + 0.045250127540 3419.4282584531 + 0.075300134969 5492.1029108603 + 0.075300134969 5492.1029108603 + 0.105350140940 7485.5570782145 + 0.150400148519 10352.2584824043 + 0.150400148519 10352.2584824043 + 0.226100159170 15013.1296392796 + 0.302500168734 19471.2953216501 diff --git a/mytest/TotalPlus.out b/mytest/TotalPlus.out index 72e338a8b..da0fb5fb0 100644 --- a/mytest/TotalPlus.out +++ b/mytest/TotalPlus.out @@ -71,7 +71,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 35 Density (g/cm³) = 0.99726 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89035 + Viscosity (mPa s) = 0.89057 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.323e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/TotalPlus_101.sel b/mytest/TotalPlus_101.sel index 3c4262289..4edcecf7c 100644 --- a/mytest/TotalPlus_101.sel +++ b/mytest/TotalPlus_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.000832294832 35.4663680387 + 0.000832294832 35.4663356006 diff --git a/mytest/Vm0_tc.out b/mytest/Vm0_tc.out index 763d56dd4..5ce428c1b 100644 --- a/mytest/Vm0_tc.out +++ b/mytest/Vm0_tc.out @@ -137,7 +137,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.994e-09 -8.000 -8.000 -0.000 -1.52 NaSO4- 1.624e-15 1.623e-15 -14.789 -14.790 -0.000 -27.98 NaHCO3 7.634e-17 7.634e-17 -16.117 -16.117 0.000 31.73 - NaOH 1.012e-25 1.012e-25 -24.995 -24.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 1.000e-08 @@ -316,7 +315,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.996e-09 -8.000 -8.000 -0.000 -3.59 NaSO4- 1.180e-15 1.180e-15 -14.928 -14.928 -0.000 -36.36 NaHCO3 3.818e-17 3.818e-17 -16.418 -16.418 0.000 31.92 - NaOH 3.416e-26 3.416e-26 -25.466 -25.466 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 27.49 S(-2) 0.000e+00 @@ -471,7 +469,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.995e-09 -8.000 -8.000 -0.000 -2.33 NaSO4- 1.432e-15 1.431e-15 -14.844 -14.844 -0.000 -31.19 NaHCO3 5.537e-17 5.537e-17 -16.257 -16.257 0.000 31.84 - NaOH 6.088e-26 6.088e-26 -25.216 -25.216 0.000 (0) O(0) 5.346e-15 O2 2.673e-15 2.673e-15 -14.573 -14.573 0.000 29.24 S(-2) 0.000e+00 @@ -626,7 +623,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.994e-09 -8.000 -8.000 -0.000 -1.52 NaSO4- 1.624e-15 1.623e-15 -14.789 -14.790 -0.000 -27.98 NaHCO3 7.634e-17 7.634e-17 -16.117 -16.117 0.000 31.73 - NaOH 1.012e-25 1.012e-25 -24.995 -24.995 0.000 (0) O(0) 6.932e-15 O2 3.466e-15 3.466e-15 -14.460 -14.460 0.000 30.40 S(-2) 0.000e+00 @@ -781,7 +777,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.994e-09 -8.000 -8.000 -0.000 -0.97 NaSO4- 1.770e-15 1.769e-15 -14.752 -14.752 -0.000 -25.87 NaHCO3 1.000e-16 1.000e-16 -16.000 -16.000 0.000 31.59 - NaOH 1.583e-25 1.583e-25 -24.801 -24.801 0.000 (0) O(0) 5.363e-15 O2 2.682e-15 2.682e-15 -14.572 -14.572 0.000 31.25 S(-2) 0.000e+00 @@ -936,7 +931,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.993e-09 -8.000 -8.000 -0.000 -0.57 NaSO4- 1.892e-15 1.890e-15 -14.723 -14.723 -0.000 -24.48 NaHCO3 1.242e-16 1.242e-16 -15.906 -15.906 0.000 31.42 - NaOH 2.351e-25 2.351e-25 -24.629 -24.629 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 31.92 S(-2) 0.000e+00 @@ -1091,7 +1085,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.992e-09 -8.000 -8.000 -0.000 -0.28 NaSO4- 2.013e-15 2.011e-15 -14.696 -14.697 -0.000 -23.58 NaHCO3 1.460e-16 1.460e-16 -15.836 -15.836 0.000 31.21 - NaOH 3.336e-25 3.336e-25 -24.477 -24.477 0.000 (0) O(0) 6.869e-15 O2 3.435e-15 3.435e-15 -14.464 -14.464 0.000 32.49 S(-2) 0.000e+00 @@ -1246,7 +1239,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.990e-09 -8.000 -8.000 -0.000 -0.06 NaSO4- 2.158e-15 2.156e-15 -14.666 -14.666 -0.000 -23.06 NaHCO3 1.622e-16 1.622e-16 -15.790 -15.790 0.000 30.97 - NaOH 4.548e-25 4.548e-25 -24.342 -24.342 0.000 (0) O(0) 5.377e-15 O2 2.688e-15 2.688e-15 -14.571 -14.571 0.000 32.99 S(-2) 0.000e+00 @@ -1401,7 +1393,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.989e-09 -8.000 -8.000 -0.000 0.11 NaSO4- 2.352e-15 2.349e-15 -14.629 -14.629 -0.000 -22.87 NaHCO3 1.703e-16 1.703e-16 -15.769 -15.769 0.000 30.68 - NaOH 5.983e-25 5.983e-25 -24.223 -24.223 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 33.45 S(-2) 0.000e+00 @@ -1556,7 +1547,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.987e-09 -8.000 -8.001 -0.001 0.23 NaSO4- 2.625e-15 2.621e-15 -14.581 -14.581 -0.001 -22.97 NaHCO3 1.698e-16 1.698e-16 -15.770 -15.770 0.000 30.34 - NaOH 7.623e-25 7.623e-25 -24.118 -24.118 0.000 (0) O(0) 2.257e-14 O2 1.128e-14 1.128e-14 -13.948 -13.948 0.000 33.90 S(-2) 0.000e+00 @@ -1712,7 +1702,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.985e-09 -8.000 -8.001 -0.001 0.32 NaSO4- 3.016e-15 3.012e-15 -14.521 -14.521 -0.001 -23.35 NaHCO3 1.617e-16 1.617e-16 -15.791 -15.791 0.000 29.93 - NaOH 9.434e-25 9.434e-25 -24.025 -24.025 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 34.35 S(-2) 0.000e+00 @@ -1868,7 +1857,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.983e-09 -8.000 -8.001 -0.001 0.38 NaSO4- 3.580e-15 3.574e-15 -14.446 -14.447 -0.001 -24.03 NaHCO3 1.482e-16 1.482e-16 -15.829 -15.829 0.000 29.45 - NaOH 1.137e-24 1.137e-24 -23.944 -23.944 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 34.83 S(-2) 0.000e+00 @@ -2024,7 +2012,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.982e-09 -8.000 -8.001 -0.001 0.40 NaSO4- 4.401e-15 4.393e-15 -14.356 -14.357 -0.001 -25.03 NaHCO3 1.317e-16 1.317e-16 -15.880 -15.880 0.000 28.87 - NaOH 1.337e-24 1.337e-24 -23.874 -23.874 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 35.34 S(-2) 0.000e+00 @@ -2180,7 +2167,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.980e-09 -8.000 -8.001 -0.001 0.40 NaSO4- 5.614e-15 5.603e-15 -14.251 -14.252 -0.001 -26.39 NaHCO3 1.143e-16 1.143e-16 -15.942 -15.942 0.000 28.18 - NaOH 1.537e-24 1.537e-24 -23.813 -23.813 0.000 (0) O(0) 5.337e-15 O2 2.668e-15 2.668e-15 -14.574 -14.574 0.000 35.91 S(-2) 0.000e+00 @@ -2336,7 +2322,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.978e-09 -8.000 -8.001 -0.001 0.36 NaSO4- 7.436e-15 7.419e-15 -14.129 -14.130 -0.001 -28.18 NaHCO3 9.739e-17 9.739e-17 -16.011 -16.011 0.000 27.34 - NaOH 1.730e-24 1.730e-24 -23.762 -23.762 0.000 (0) O(0) 6.139e-14 O2 3.069e-14 3.069e-14 -13.513 -13.513 0.000 36.56 S(-2) 0.000e+00 @@ -2492,7 +2477,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.976e-09 -8.000 -8.001 -0.001 0.29 NaSO4- 1.023e-14 1.020e-14 -13.990 -13.991 -0.001 -30.48 NaHCO3 8.192e-17 8.192e-17 -16.087 -16.087 0.000 26.32 - NaOH 1.907e-24 1.907e-24 -23.720 -23.720 0.000 (0) O(0) 4.441e-12 O2 2.221e-12 2.221e-12 -11.654 -11.654 0.000 37.31 S(-2) 0.000e+00 @@ -2648,7 +2632,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.974e-09 -8.000 -8.001 -0.001 0.18 NaSO4- 1.459e-14 1.455e-14 -13.836 -13.837 -0.001 -33.42 NaHCO3 6.826e-17 6.826e-17 -16.166 -16.166 0.000 25.07 - NaOH 2.061e-24 2.061e-24 -23.686 -23.686 0.000 (0) O(0) 2.664e-10 O2 1.332e-10 1.332e-10 -9.876 -9.876 0.000 38.19 S(-2) 0.000e+00 @@ -2804,7 +2787,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.972e-09 -8.000 -8.001 -0.001 0.02 NaSO4- 2.155e-14 2.149e-14 -13.667 -13.668 -0.001 -37.17 NaHCO3 5.651e-17 5.651e-17 -16.248 -16.248 0.000 23.53 - NaOH 2.187e-24 2.187e-24 -23.660 -23.660 0.000 (0) O(0) 4.716e-09 O2 2.358e-09 2.358e-09 -8.627 -8.627 0.000 39.26 S(-2) 0.000e+00 @@ -2999,7 +2981,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.996e-09 -8.000 -8.000 -0.000 -3.40 NaSO4- 1.180e-15 1.180e-15 -14.928 -14.928 -0.000 -36.36 NaHCO3 3.818e-17 3.818e-17 -16.418 -16.418 0.000 31.92 - NaOH 3.416e-26 3.416e-26 -25.466 -25.466 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 27.49 S(-2) 0.000e+00 @@ -3154,7 +3135,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.995e-09 -8.000 -8.000 -0.000 -2.00 NaSO4- 1.432e-15 1.431e-15 -14.844 -14.844 -0.000 -31.19 NaHCO3 5.537e-17 5.537e-17 -16.257 -16.257 0.000 31.84 - NaOH 6.088e-26 6.088e-26 -25.216 -25.216 0.000 (0) O(0) 5.346e-15 O2 2.673e-15 2.673e-15 -14.573 -14.573 0.000 29.24 S(-2) 0.000e+00 @@ -3309,7 +3289,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.994e-09 -8.000 -8.000 -0.000 -1.12 NaSO4- 1.624e-15 1.623e-15 -14.789 -14.790 -0.000 -27.98 NaHCO3 7.634e-17 7.634e-17 -16.117 -16.117 0.000 31.73 - NaOH 1.012e-25 1.012e-25 -24.995 -24.995 0.000 (0) O(0) 6.932e-15 O2 3.466e-15 3.466e-15 -14.460 -14.460 0.000 30.40 S(-2) 0.000e+00 @@ -3464,7 +3443,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.994e-09 -8.000 -8.000 -0.000 -0.55 NaSO4- 1.770e-15 1.769e-15 -14.752 -14.752 -0.000 -25.87 NaHCO3 1.000e-16 1.000e-16 -16.000 -16.000 0.000 31.59 - NaOH 1.583e-25 1.583e-25 -24.801 -24.801 0.000 (0) O(0) 5.363e-15 O2 2.682e-15 2.682e-15 -14.572 -14.572 0.000 31.25 S(-2) 0.000e+00 @@ -3619,7 +3597,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.993e-09 -8.000 -8.000 -0.000 -0.16 NaSO4- 1.892e-15 1.890e-15 -14.723 -14.723 -0.000 -24.48 NaHCO3 1.242e-16 1.242e-16 -15.906 -15.906 0.000 31.42 - NaOH 2.351e-25 2.351e-25 -24.629 -24.629 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 31.92 S(-2) 0.000e+00 @@ -3774,7 +3751,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.992e-09 -8.000 -8.000 -0.000 0.10 NaSO4- 2.013e-15 2.011e-15 -14.696 -14.697 -0.000 -23.58 NaHCO3 1.460e-16 1.460e-16 -15.836 -15.836 0.000 31.21 - NaOH 3.336e-25 3.336e-25 -24.477 -24.477 0.000 (0) O(0) 6.869e-15 O2 3.435e-15 3.435e-15 -14.464 -14.464 0.000 32.49 S(-2) 0.000e+00 @@ -3929,7 +3905,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.990e-09 -8.000 -8.000 -0.000 0.26 NaSO4- 2.158e-15 2.156e-15 -14.666 -14.666 -0.000 -23.06 NaHCO3 1.622e-16 1.622e-16 -15.790 -15.790 0.000 30.97 - NaOH 4.548e-25 4.548e-25 -24.342 -24.342 0.000 (0) O(0) 5.377e-15 O2 2.688e-15 2.688e-15 -14.571 -14.571 0.000 32.99 S(-2) 0.000e+00 @@ -4084,7 +4059,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.989e-09 -8.000 -8.000 -0.000 0.34 NaSO4- 2.352e-15 2.349e-15 -14.629 -14.629 -0.000 -22.87 NaHCO3 1.703e-16 1.703e-16 -15.769 -15.769 0.000 30.68 - NaOH 5.983e-25 5.983e-25 -24.223 -24.223 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 33.45 S(-2) 0.000e+00 @@ -4239,7 +4213,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.987e-09 -8.000 -8.001 -0.001 0.35 NaSO4- 2.625e-15 2.621e-15 -14.581 -14.581 -0.001 -22.97 NaHCO3 1.698e-16 1.698e-16 -15.770 -15.770 0.000 30.34 - NaOH 7.623e-25 7.623e-25 -24.118 -24.118 0.000 (0) O(0) 2.257e-14 O2 1.128e-14 1.128e-14 -13.948 -13.948 0.000 33.90 S(-2) 0.000e+00 @@ -4395,7 +4368,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.985e-09 -8.000 -8.001 -0.001 0.30 NaSO4- 3.016e-15 3.011e-15 -14.521 -14.521 -0.001 -23.35 NaHCO3 1.617e-16 1.617e-16 -15.791 -15.791 0.000 29.93 - NaOH 9.434e-25 9.434e-25 -24.025 -24.025 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 34.35 S(-2) 0.000e+00 @@ -4551,7 +4523,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.983e-09 -8.000 -8.001 -0.001 0.18 NaSO4- 3.580e-15 3.574e-15 -14.446 -14.447 -0.001 -24.03 NaHCO3 1.482e-16 1.482e-16 -15.829 -15.829 0.000 29.45 - NaOH 1.137e-24 1.137e-24 -23.944 -23.944 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 34.83 S(-2) 0.000e+00 @@ -4707,7 +4678,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.982e-09 -8.000 -8.001 -0.001 -0.01 NaSO4- 4.401e-15 4.393e-15 -14.356 -14.357 -0.001 -25.03 NaHCO3 1.317e-16 1.317e-16 -15.880 -15.880 0.000 28.87 - NaOH 1.337e-24 1.337e-24 -23.874 -23.874 0.000 (0) O(0) 5.325e-15 O2 2.663e-15 2.663e-15 -14.575 -14.575 0.000 35.34 S(-2) 0.000e+00 @@ -4863,7 +4833,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.980e-09 -8.000 -8.001 -0.001 -0.28 NaSO4- 5.614e-15 5.603e-15 -14.251 -14.252 -0.001 -26.39 NaHCO3 1.143e-16 1.143e-16 -15.942 -15.942 0.000 28.18 - NaOH 1.537e-24 1.537e-24 -23.813 -23.813 0.000 (0) O(0) 5.337e-15 O2 2.668e-15 2.668e-15 -14.574 -14.574 0.000 35.91 S(-2) 0.000e+00 @@ -5019,7 +4988,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.978e-09 -8.000 -8.001 -0.001 -0.63 NaSO4- 7.437e-15 7.420e-15 -14.129 -14.130 -0.001 -28.18 NaHCO3 9.739e-17 9.739e-17 -16.012 -16.012 0.000 27.34 - NaOH 1.729e-24 1.729e-24 -23.762 -23.762 0.000 (0) O(0) 6.139e-14 O2 3.069e-14 3.069e-14 -13.513 -13.513 0.000 36.56 S(-2) 0.000e+00 @@ -5175,7 +5143,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.976e-09 -8.000 -8.001 -0.001 -1.10 NaSO4- 1.023e-14 1.020e-14 -13.990 -13.991 -0.001 -30.48 NaHCO3 8.190e-17 8.190e-17 -16.087 -16.087 0.000 26.32 - NaOH 1.906e-24 1.906e-24 -23.720 -23.720 0.000 (0) O(0) 4.441e-12 O2 2.221e-12 2.221e-12 -11.654 -11.654 0.000 37.31 S(-2) 0.000e+00 @@ -5331,7 +5298,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.974e-09 -8.000 -8.001 -0.001 -1.69 NaSO4- 1.460e-14 1.456e-14 -13.836 -13.837 -0.001 -33.42 NaHCO3 6.823e-17 6.823e-17 -16.166 -16.166 0.000 25.07 - NaOH 2.060e-24 2.060e-24 -23.686 -23.686 0.000 (0) O(0) 2.664e-10 O2 1.332e-10 1.332e-10 -9.876 -9.876 0.000 38.19 S(-2) 0.000e+00 @@ -5487,7 +5453,6 @@ Na 1.000e-08 Na+ 1.000e-08 9.972e-09 -8.000 -8.001 -0.001 -2.45 NaSO4- 2.157e-14 2.151e-14 -13.666 -13.667 -0.001 -37.17 NaHCO3 5.647e-17 5.647e-17 -16.248 -16.248 0.000 23.53 - NaOH 2.185e-24 2.185e-24 -23.661 -23.661 0.000 (0) O(0) 4.717e-09 O2 2.358e-09 2.358e-09 -8.627 -8.627 0.000 39.26 S(-2) 0.000e+00 diff --git a/mytest/Vm0_tc_101.sel b/mytest/Vm0_tc_101.sel index d0e876e48..0f44e2ded 100644 --- a/mytest/Vm0_tc_101.sel +++ b/mytest/Vm0_tc_101.sel @@ -1,36 +1,36 @@ Mu SC - 0.000000220058 0.0531406437 - 0.000000153737 0.0127502987 + 0.000000220058 0.0531406436 + 0.000000153737 0.0127502986 0.000000180175 0.0270887555 - 0.000000220058 0.0531406437 - 0.000000276660 0.0966406518 - 0.000000352842 0.1636141587 - 0.000000450697 0.2594329303 - 0.000000571246 0.3879231032 - 0.000000714196 0.5506377063 - 0.000000877797 0.7463556018 - 0.000001059012 0.9710728121 - 0.000001253172 1.2176841633 - 0.000001454520 1.4767275552 - 0.000001656424 1.7369975158 - 0.000001851776 1.9864392824 - 0.000002033435 2.2131413801 - 0.000002194703 2.4063251999 - 0.000002329798 2.5572114890 + 0.000000220058 0.0531406436 + 0.000000276660 0.0966406516 + 0.000000352842 0.1636141581 + 0.000000450697 0.2594329283 + 0.000000571246 0.3879230974 + 0.000000714196 0.5506376921 + 0.000000877797 0.7463555722 + 0.000001059012 0.9710727587 + 0.000001253172 1.2176840797 + 0.000001454520 1.4767274457 + 0.000001656424 1.7369974137 + 0.000001851776 1.9864393148 + 0.000002033435 2.2131419509 + 0.000002194703 2.4063297929 + 0.000002329798 2.5572057843 0.000000153737 0.0102854698 - 0.000000180175 0.0241229866 + 0.000000180175 0.0241229865 0.000000220058 0.0501330880 0.000000276660 0.0939880690 - 0.000000352842 0.1614734007 - 0.000000450697 0.2576987783 - 0.000000571246 0.3863117513 - 0.000000714196 0.5487870737 - 0.000000877797 0.7438978398 - 0.000001059012 0.9676759769 - 0.000001253172 1.2130708096 - 0.000001454520 1.4706833414 - 0.000001656424 1.7293729011 - 0.000001851776 1.9771480384 - 0.000002033435 2.2021578341 - 0.000002194702 2.3936799462 - 0.000002329797 2.5430269861 + 0.000000352842 0.1614734005 + 0.000000450697 0.2576987769 + 0.000000571246 0.3863117464 + 0.000000714196 0.5487870611 + 0.000000877797 0.7438978130 + 0.000001059012 0.9676759278 + 0.000001253172 1.2130707327 + 0.000001454520 1.4706832407 + 0.000001656424 1.7293728057 + 0.000001851776 1.9771480373 + 0.000002033435 2.2021581821 + 0.000002194702 2.3936816317 + 0.000002329797 2.5430621987 diff --git a/mytest/Vm_BaCl2_sol.out b/mytest/Vm_BaCl2_sol.out index b50df790f..7696928e3 100644 --- a/mytest/Vm_BaCl2_sol.out +++ b/mytest/Vm_BaCl2_sol.out @@ -11827,7 +11827,7 @@ Reaction 1. pH = 6.210 Charge balance pe = 7.472 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 307908 + Specific Conductance (µS/cm, 80°C) = 307907 Density (g/cm³) = 1.22919 Volume (L) = 1.08221 Viscosity (mPa s) = 0.57194 @@ -15553,7 +15553,7 @@ Reaction 1. pH = 5.780 Charge balance pe = 0.438 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 333552 + Specific Conductance (µS/cm, 140°C) = 333551 Density (g/cm³) = 1.06527 Volume (L) = 1.10164 Viscosity (mPa s) = 0.26389 @@ -15709,7 +15709,7 @@ Reaction 1. pH = 5.775 Charge balance pe = 5.508 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 406496 + Specific Conductance (µS/cm, 140°C) = 406495 Density (g/cm³) = 1.12629 Volume (L) = 1.11424 Viscosity (mPa s) = 0.29878 diff --git a/mytest/Vm_BaCl2_sol_101.sel b/mytest/Vm_BaCl2_sol_101.sel index b370edd13..4989e3de7 100644 --- a/mytest/Vm_BaCl2_sol_101.sel +++ b/mytest/Vm_BaCl2_sol_101.sel @@ -1,204 +1,204 @@ Mu SC 0.000000100644 0.0547821292 0.000000067373 0.0312920192 - 0.027900073461 1839.6481322420 - 0.088500073293 5494.6343521036 - 0.150000071933 9007.6489587301 - 0.150300071925 9024.4513924544 - 0.217800070092 12738.8596081513 - 0.299400067684 17080.2753112151 - 0.300000067666 17111.6696928607 - 0.448200063040 24659.1234576468 - 0.600000058107 32007.0453102729 - 0.901200047892 45583.4439846376 - 1.219200036521 58607.1152124442 - 1.500000025962 69080.2995845061 - 1.763400015598 78089.9293049884 - 2.100000001694 88536.0452092262 - 2.976299962041 110777.1053537253 - 2.999999960901 111289.7648163783 - 3.599999930876 122917.4770601070 - 3.672899927078 124164.8472859550 - 4.499999881750 136157.1167595402 - 4.757399866797 139169.5883310593 + 0.027900073461 1839.6481279402 + 0.088500073293 5494.6343305082 + 0.150000071933 9007.6489139219 + 0.150300071925 9024.4513475229 + 0.217800070092 12738.8595335869 + 0.299400067684 17080.2751969086 + 0.300000067666 17111.6695782498 + 0.448200063040 24659.1232641802 + 0.600000058107 32007.0450318691 + 0.901200047892 45583.4435386781 + 1.219200036521 58607.1146051436 + 1.500000025962 69080.2988554382 + 1.763400015598 78089.9284818090 + 2.100000001694 88536.0442945146 + 2.976299962041 110777.1043349175 + 2.999999960901 111289.7637970171 + 3.599999930876 122917.4760561765 + 3.672899927078 124164.8462871582 + 4.499999881750 136157.1158510549 + 4.757399866797 139169.5874585611 0.000000100644 0.0547821292 - 0.011640110158 986.6344431261 - 0.027900113514 2280.9774627988 - 0.046860115655 3733.3542634807 - 0.082080117896 6334.2094595536 - 0.088500118176 6798.2038047193 - 0.116370119121 8783.9963568233 - 0.150000119853 11127.9562526683 - 0.150300119858 11148.6398113395 - 0.217800120547 15715.3935014101 - 0.236430120618 16948.3238518568 - 0.299400120603 21039.1901414403 - 0.300000120601 21077.6350055435 - 0.448200119568 30298.0450446487 - 0.470700119328 31653.2035168957 - 0.500001118991 33401.4744360793 - 0.600000117657 39232.7118261426 - 0.709410115930 45384.8275115665 - 0.901200112367 55631.9009743076 - 0.948420111399 58054.7942976064 - 0.999999110304 60657.7801997696 - 1.160640106653 68481.4862340020 - 1.219200105236 71229.9362489475 - 1.500000097823 83677.9004293133 - 1.512000097484 84183.8313093536 - 1.763400089968 94317.9107253960 - 2.100000078686 106574.8006590773 - 2.363100068906 115194.0982389787 - 2.495100063685 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139422.0830738595 - 2.976300146211 154193.9194796389 - 3.000000145327 154862.0253628071 - 3.600000120106 169912.4658620254 - 3.672900116668 171515.6381544530 - 4.500000072043 186825.7462671202 - 4.500000072043 186825.7462671202 - 4.757400056091 190645.3087607315 + 0.011640110158 986.6344408244 + 0.027900113514 2280.9774548781 + 0.046860115655 3733.3542470116 + 0.082080117896 6334.2094233005 + 0.088500118176 6798.2037644245 + 0.116370119121 8783.9962977070 + 0.150000119853 11127.9561684753 + 0.150300119858 11148.6397269125 + 0.217800120547 15715.3933605463 + 0.236430120618 16948.3236942634 + 0.299400120603 21039.1899244053 + 0.300000120601 21077.6347879234 + 0.448200119568 30298.0446746295 + 0.470700119328 31653.2031227170 + 0.500001118991 33401.4740101686 + 0.600000117657 39232.7112903293 + 0.709410115930 45384.8268542812 + 0.901200112367 55631.9001063001 + 0.948420111399 58054.7933788402 + 0.999999110304 60657.7792262716 + 1.160640106653 68481.4850957585 + 1.219200105236 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71750.3232808673 + 1.219200188100 84064.2592829689 + 1.500000184568 98490.6247934470 + 1.763400180127 110759.5966601728 + 2.100000172925 124822.3193213803 + 2.363100166116 134666.5995454724 + 2.499999162164 139422.0793540178 + 2.976300146211 154193.9155028318 + 3.000000145327 154862.0213772687 + 3.600000120106 169912.4617658091 + 3.672900116668 171515.6340577661 + 4.500000072043 186825.7423153074 + 4.500000072043 186825.7423153074 + 4.757400056091 190645.3048979680 0.000000200960 0.1389183081 - 0.088500248368 9511.4321783348 - 0.150000256932 15530.4812833095 - 0.150300256965 15559.1797475121 - 0.217800263222 21883.5398123323 - 0.300000268646 29280.0907823690 - 0.448200275260 41926.6000342074 - 0.500001276985 46163.0123012013 - 0.600000279743 54095.7610380680 - 0.901200285039 76214.5736805560 - 0.999999286095 82937.2794279031 - 1.219200287564 96993.2890109878 - 1.500000287982 113395.5417655295 - 1.763400287088 127290.1870110393 - 2.100000284287 143155.5001191456 - 2.363100280850 154224.0914648093 - 2.499999278632 159560.2921724378 - 2.976300268616 176093.9361088579 - 3.000000268023 176840.3010122839 - 3.600000249954 193625.0636286471 - 3.672900247349 195410.1163999496 - 4.500000211333 212439.7243707580 - 4.500000211333 212439.7243707580 - 4.757400197634 216686.5109669940 - 0.000000270724 0.2051343436 - 0.060300329668 7604.4457219645 - 0.150000351145 17759.4587618949 - 0.150900351298 17857.6579356627 - 0.218100360898 25033.4107703264 - 0.300000369492 33421.6742337241 - 0.451800380748 48124.8903589719 - 0.500001383549 52591.6302675071 - 0.600000388572 61576.0957259027 - 0.901200399528 86550.3967917120 - 0.999999402204 94118.5774669052 - 1.219200407017 109908.7832733593 - 1.500000411386 128277.9887040265 - 2.100000415510 161456.4644873279 - 2.363100415391 173750.2156623678 - 2.499999414894 179668.8871084783 - 2.976300410884 197977.1921410782 - 3.000000410592 198802.7175033683 - 3.600000400232 217351.9413028050 - 3.672900398576 219323.4046052672 - 4.500000373412 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Specific Conductance (µS/cm, 50°C) = 29781 Density (g/cm³) = 0.99703 Volume (L) = 1.01426 - Viscosity (mPa s) = 0.56969 + Viscosity (mPa s) = 0.56970 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.042e-01 Mass of water (kg) = 1.000e+00 @@ -22903,7 +22903,7 @@ Reaction 1. pH = 5.853 Charge balance pe = 5.592 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 127°C) = 689727 + Specific Conductance (µS/cm, 127°C) = 689726 Density (g/cm³) = 1.17847 Volume (L) = 1.14964 Viscosity (mPa s) = 0.55066 diff --git a/mytest/Vm_CaCl2_sol_101.sel b/mytest/Vm_CaCl2_sol_101.sel index 7dae5b9ad..1929ee97c 100644 --- a/mytest/Vm_CaCl2_sol_101.sel +++ b/mytest/Vm_CaCl2_sol_101.sel @@ -1,294 +1,294 @@ Mu SC 0.000000100644 0.0547821292 0.000000067373 0.0312876270 - 0.150000024056 8299.9673076974 - 0.299999996946 15570.1972455831 - 1.499999887134 63409.1572127043 - 2.999999817584 108445.1785068226 - 5.999999728362 160291.1352563073 - 8.999999666605 168830.6794532253 - 11.999999622608 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2.013001269524 442698.3106544603 - 3.551701331355 666182.1192163036 - 0.000001137128 1.2246304394 - 0.100901505401 36455.1432854590 - 1.428701936790 390555.4127522029 - 3.571802103124 773218.8405025322 + 0.040000238263 7507.7546160113 + 0.090000251172 16226.9492017517 + 0.100000253023 17923.2190790080 + 0.110840254867 19747.9693263815 + 0.140240259206 24632.3539478352 + 0.160000261708 27868.6130360357 + 0.214990267486 36710.7870410619 + 0.250000270522 42232.7067620029 + 0.400000280326 65148.5582362683 + 0.431920281979 69893.3311330769 + 0.500000285175 79879.6709803977 + 0.500000285175 79879.6709803977 + 0.700000292782 108282.4942526562 + 1.000000301338 148646.0338781512 + 1.000000301338 148646.0338781512 + 1.000000301338 148646.0338781512 + 1.500000311752 210835.9324207162 + 1.668760314583 230528.5834749442 + 2.000000319404 267409.0049832070 + 2.000000319404 267409.0049832070 + 2.106830320779 278820.1988608294 + 2.500000325195 318872.7594090651 + 2.709410327184 338999.0537961930 + 3.000000329584 365593.8930777679 + 3.000000329584 365593.8930777679 + 3.020280329737 367393.3771708413 + 3.481320332768 406377.9469642774 + 3.500000332874 407881.4468332384 + 3.980310335212 444589.6598690341 + 4.000000335293 446016.1629380558 + 4.000000335293 446016.1629380558 + 4.500000337013 480262.2451346432 + 4.501070337016 480331.5453038263 + 0.000000354775 0.2906266063 + 0.040000423762 9644.0205979806 + 0.090000447935 20796.2634794141 + 0.099980451411 22957.7649167881 + 0.160000467818 35640.5543741417 + 0.250000484566 53900.6536529949 + 0.400000503301 82924.8785205043 + 0.414940504809 85737.6824193676 + 0.700000527165 137240.1456959747 + 0.791540532681 153012.4584544559 + 1.000000543500 187721.7673509017 + 1.210810552682 221251.2037886376 + 2.053600579142 341565.3876404556 + 2.494080588665 396706.9384901532 + 3.425060603174 498109.8628711273 + 3.889560608115 541790.1033498412 + 4.400920612272 585093.6924148453 + 0.000000566469 0.5248208249 + 0.040000682282 11701.1172837935 + 0.065980706606 18801.8544130957 + 0.090000723291 25181.4470469028 + 0.100450729477 27912.8989375614 + 0.160000757225 43082.0141668315 + 0.205670773148 54353.0088126767 + 0.250000785949 65054.6222222213 + 0.400000818186 99894.8631146226 + 0.700000859232 164853.7398603238 + 1.000000887157 224970.1285758097 + 1.230600904100 268408.8800607310 + 1.661060929349 343818.2858036695 + 3.030150979186 542532.2245576777 + 3.509120989963 599535.8165599976 + 4.002930998701 652487.2669568378 + 4.500841005555 700416.5060893812 + 0.000000693037 0.6737094450 + 0.040000838517 12674.2752178633 + 0.090000890280 27250.9453540459 + 0.102440899517 30762.0218829470 + 0.160000933222 46588.9831901379 + 0.187950946081 54071.4863392789 + 0.250000969646 70307.6200009016 + 0.400001010590 107885.4603672434 + 0.406991012146 109588.1895630258 + 1.000001097997 242537.8172250570 + 1.207301117350 284612.0336697077 + 1.670931151713 371921.8226853239 + 2.097481176003 444829.5820879306 + 2.557551196674 516353.1778101965 + 3.037691213872 583880.5862167826 + 3.497121226930 642314.8911985783 + 3.992701238122 699180.1776339058 + 4.500121247086 751362.5256945791 + 0.000000747149 0.7388248064 + 0.050910921262 16403.8248680001 + 0.100400970705 31072.3495572706 + 0.104500973868 32256.5594102303 + 0.132000992849 40103.3203450429 + 0.206601031612 60708.9563381299 + 0.489101113796 132990.8448217865 + 0.710401152326 185277.0946312482 + 0.942901182868 237054.3551593674 + 1.420701229076 334937.5501923847 + 2.013001269524 442698.2833439225 + 3.551701331355 666182.0748972698 + 0.000001137128 1.2246303646 + 0.100901505401 36455.1412882165 + 1.428701936790 390555.3732670741 + 3.571802103124 773218.7551735641 diff --git a/mytest/Vm_KHCO3_sol.out b/mytest/Vm_KHCO3_sol.out index 257079bd1..94158159f 100644 --- a/mytest/Vm_KHCO3_sol.out +++ b/mytest/Vm_KHCO3_sol.out @@ -228,10 +228,10 @@ Reaction 1. pH = 8.215 Charge balance pe = 11.432 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 26302 + Specific Conductance (µS/cm, 5°C) = 26283 Density (g/cm³) = 1.03337 Volume (L) = 1.01649 - Viscosity (mPa s) = 1.70940 + Viscosity (mPa s) = 1.71909 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.784e-01 Mass of water (kg) = 1.000e+00 @@ -315,10 +315,10 @@ Reaction 1. pH = 8.254 Charge balance pe = 11.407 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 16743 + Specific Conductance (µS/cm, 5°C) = 16735 Density (g/cm³) = 1.02037 Volume (L) = 1.00964 - Viscosity (mPa s) = 1.64466 + Viscosity (mPa s) = 1.65033 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.925e-01 Mass of water (kg) = 1.000e+00 @@ -402,10 +402,10 @@ Reaction 1. pH = 8.304 Charge balance pe = 11.366 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 8886 + Specific Conductance (µS/cm, 5°C) = 8884 Density (g/cm³) = 1.01030 Volume (L) = 1.00472 - Viscosity (mPa s) = 1.58638 + Viscosity (mPa s) = 1.58910 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.485e-01 Mass of water (kg) = 1.000e+00 @@ -489,10 +489,10 @@ Reaction 1. pH = 8.346 Charge balance pe = -2.365 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 4965 + Specific Conductance (µS/cm, 5°C) = 4964 Density (g/cm³) = 1.00554 Volume (L) = 1.00252 - Viscosity (mPa s) = 1.55640 + Viscosity (mPa s) = 1.55781 Activity of water = 0.997 Ionic strength (mol/kgw) = 8.033e-02 Mass of water (kg) = 1.000e+00 @@ -579,7 +579,7 @@ Reaction 1. Specific Conductance (µS/cm, 5°C) = 3186 Density (g/cm³) = 1.00347 Volume (L) = 1.00158 - Viscosity (mPa s) = 1.54277 + Viscosity (mPa s) = 1.54363 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.049e-02 Mass of water (kg) = 1.000e+00 @@ -666,7 +666,7 @@ Reaction 1. Specific Conductance (µS/cm, 5°C) = 1948 Density (g/cm³) = 1.00206 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.53333 + Viscosity (mPa s) = 1.53383 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.027e-02 Mass of water (kg) = 1.000e+00 @@ -753,7 +753,7 @@ Reaction 1. Specific Conductance (µS/cm, 5°C) = 997 Density (g/cm³) = 1.00101 Volume (L) = 1.00049 - Viscosity (mPa s) = 1.52611 + Viscosity (mPa s) = 1.52635 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.515e-02 Mass of water (kg) = 1.000e+00 @@ -942,10 +942,10 @@ Reaction 1. pH = 8.153 Charge balance pe = 11.555 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 10°C) = 30113 + Specific Conductance (µS/cm, 10°C) = 30087 Density (g/cm³) = 1.03260 Volume (L) = 1.01725 - Viscosity (mPa s) = 1.48911 + Viscosity (mPa s) = 1.49890 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.760e-01 Mass of water (kg) = 1.000e+00 @@ -1029,10 +1029,10 @@ Reaction 1. pH = 8.193 Charge balance pe = 11.603 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 10°C) = 19219 + Specific Conductance (µS/cm, 10°C) = 19209 Density (g/cm³) = 1.01977 Volume (L) = 1.01023 - Viscosity (mPa s) = 1.42460 + Viscosity (mPa s) = 1.43032 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.914e-01 Mass of water (kg) = 1.000e+00 @@ -1116,10 +1116,10 @@ Reaction 1. pH = 8.243 Charge balance pe = 11.554 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 10°C) = 10224 + Specific Conductance (µS/cm, 10°C) = 10221 Density (g/cm³) = 1.00986 Volume (L) = 1.00516 - Viscosity (mPa s) = 1.36893 + Viscosity (mPa s) = 1.37167 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.482e-01 Mass of water (kg) = 1.000e+00 @@ -1203,10 +1203,10 @@ Reaction 1. pH = 8.285 Charge balance pe = -2.317 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 10°C) = 5720 + Specific Conductance (µS/cm, 10°C) = 5719 Density (g/cm³) = 1.00519 Volume (L) = 1.00287 - Viscosity (mPa s) = 1.34096 + Viscosity (mPa s) = 1.34237 Activity of water = 0.997 Ionic strength (mol/kgw) = 8.023e-02 Mass of water (kg) = 1.000e+00 @@ -1293,7 +1293,7 @@ Reaction 1. Specific Conductance (µS/cm, 10°C) = 3673 Density (g/cm³) = 1.00314 Volume (L) = 1.00190 - Viscosity (mPa s) = 1.32838 + Viscosity (mPa s) = 1.32924 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.045e-02 Mass of water (kg) = 1.000e+00 @@ -1380,7 +1380,7 @@ Reaction 1. Specific Conductance (µS/cm, 10°C) = 2247 Density (g/cm³) = 1.00176 Volume (L) = 1.00125 - Viscosity (mPa s) = 1.31971 + Viscosity (mPa s) = 1.32021 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.026e-02 Mass of water (kg) = 1.000e+00 @@ -1467,7 +1467,7 @@ Reaction 1. Specific Conductance (µS/cm, 10°C) = 1150 Density (g/cm³) = 1.00073 Volume (L) = 1.00077 - Viscosity (mPa s) = 1.31310 + Viscosity (mPa s) = 1.31335 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.515e-02 Mass of water (kg) = 1.000e+00 @@ -1656,10 +1656,10 @@ Reaction 1. pH = 8.100 Charge balance pe = 10.641 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 34041 + Specific Conductance (µS/cm, 15°C) = 34008 Density (g/cm³) = 1.03158 Volume (L) = 1.01825 - Viscosity (mPa s) = 1.31261 + Viscosity (mPa s) = 1.32246 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.735e-01 Mass of water (kg) = 1.000e+00 @@ -1743,10 +1743,10 @@ Reaction 1. pH = 8.139 Charge balance pe = 10.601 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 21781 + Specific Conductance (µS/cm, 15°C) = 21768 Density (g/cm³) = 1.01890 Volume (L) = 1.01110 - Viscosity (mPa s) = 1.24937 + Viscosity (mPa s) = 1.25512 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.904e-01 Mass of water (kg) = 1.000e+00 @@ -1830,10 +1830,10 @@ Reaction 1. pH = 8.190 Charge balance pe = 10.562 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 11613 + Specific Conductance (µS/cm, 15°C) = 11609 Density (g/cm³) = 1.00912 Volume (L) = 1.00590 - Viscosity (mPa s) = 1.19631 + Viscosity (mPa s) = 1.19906 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.479e-01 Mass of water (kg) = 1.000e+00 @@ -1917,10 +1917,10 @@ Reaction 1. pH = 8.232 Charge balance pe = -2.270 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 6506 + Specific Conductance (µS/cm, 15°C) = 6505 Density (g/cm³) = 1.00451 Volume (L) = 1.00355 - Viscosity (mPa s) = 1.17006 + Viscosity (mPa s) = 1.17149 Activity of water = 0.997 Ionic strength (mol/kgw) = 8.013e-02 Mass of water (kg) = 1.000e+00 @@ -2007,7 +2007,7 @@ Reaction 1. Specific Conductance (µS/cm, 15°C) = 4180 Density (g/cm³) = 1.00249 Volume (L) = 1.00255 - Viscosity (mPa s) = 1.15834 + Viscosity (mPa s) = 1.15921 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.041e-02 Mass of water (kg) = 1.000e+00 @@ -2094,7 +2094,7 @@ Reaction 1. Specific Conductance (µS/cm, 15°C) = 2559 Density (g/cm³) = 1.00113 Volume (L) = 1.00188 - Viscosity (mPa s) = 1.15030 + Viscosity (mPa s) = 1.15081 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.025e-02 Mass of water (kg) = 1.000e+00 @@ -2181,7 +2181,7 @@ Reaction 1. Specific Conductance (µS/cm, 15°C) = 1311 Density (g/cm³) = 1.00012 Volume (L) = 1.00139 - Viscosity (mPa s) = 1.14419 + Viscosity (mPa s) = 1.14444 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.515e-02 Mass of water (kg) = 1.000e+00 @@ -2373,7 +2373,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 1649 Density (g/cm³) = 0.99804 Volume (L) = 1.00347 - Viscosity (mPa s) = 0.89580 + Viscosity (mPa s) = 0.89604 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.514e-02 Mass of water (kg) = 1.000e+00 @@ -2460,7 +2460,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 3216 Density (g/cm³) = 0.99903 Volume (L) = 1.00399 - Viscosity (mPa s) = 0.90117 + Viscosity (mPa s) = 0.90168 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.022e-02 Mass of water (kg) = 1.000e+00 @@ -2544,10 +2544,10 @@ Reaction 1. pH = 8.175 Charge balance pe = 9.586 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 5248 + Specific Conductance (µS/cm, 25°C) = 5247 Density (g/cm³) = 1.00037 Volume (L) = 1.00468 - Viscosity (mPa s) = 0.90826 + Viscosity (mPa s) = 0.90915 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.032e-02 Mass of water (kg) = 1.000e+00 @@ -2631,10 +2631,10 @@ Reaction 1. pH = 8.146 Charge balance pe = -2.209 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 8156 + Specific Conductance (µS/cm, 25°C) = 8154 Density (g/cm³) = 1.00233 Volume (L) = 1.00573 - Viscosity (mPa s) = 0.91866 + Viscosity (mPa s) = 0.92011 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.992e-02 Mass of water (kg) = 1.000e+00 @@ -2718,10 +2718,10 @@ Reaction 1. pH = 8.140 Charge balance pe = 9.217 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 8858 + Specific Conductance (µS/cm, 25°C) = 8856 Density (g/cm³) = 1.00282 Volume (L) = 1.00598 - Viscosity (mPa s) = 0.92120 + Viscosity (mPa s) = 0.92279 Activity of water = 0.997 Ionic strength (mol/kgw) = 8.719e-02 Mass of water (kg) = 1.000e+00 @@ -2805,10 +2805,10 @@ Reaction 1. pH = 8.133 Charge balance pe = -2.549 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9786 + Specific Conductance (µS/cm, 25°C) = 9783 Density (g/cm³) = 1.00346 Volume (L) = 1.00633 - Viscosity (mPa s) = 0.92459 + Viscosity (mPa s) = 0.92637 Activity of water = 0.997 Ionic strength (mol/kgw) = 9.685e-02 Mass of water (kg) = 1.000e+00 @@ -2892,10 +2892,10 @@ Reaction 1. pH = 8.131 Charge balance pe = 9.682 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10095 + Specific Conductance (µS/cm, 25°C) = 10092 Density (g/cm³) = 1.00368 Volume (L) = 1.00645 - Viscosity (mPa s) = 0.92572 + Viscosity (mPa s) = 0.92756 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.001e-01 Mass of water (kg) = 1.000e+00 @@ -2979,10 +2979,10 @@ Reaction 1. pH = 8.104 Charge balance pe = 10.398 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 14522 + Specific Conductance (µS/cm, 25°C) = 14516 Density (g/cm³) = 1.00685 Volume (L) = 1.00817 - Viscosity (mPa s) = 0.94214 + Viscosity (mPa s) = 0.94494 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.472e-01 Mass of water (kg) = 1.000e+00 @@ -3066,10 +3066,10 @@ Reaction 1. pH = 8.092 Charge balance pe = -2.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 16806 + Specific Conductance (µS/cm, 25°C) = 16799 Density (g/cm³) = 1.00852 Volume (L) = 1.00909 - Viscosity (mPa s) = 0.95076 + Viscosity (mPa s) = 0.95408 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.721e-01 Mass of water (kg) = 1.000e+00 @@ -3153,10 +3153,10 @@ Reaction 1. pH = 8.083 Charge balance pe = -2.410 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18803 + Specific Conductance (µS/cm, 25°C) = 18793 Density (g/cm³) = 1.01001 Volume (L) = 1.00992 - Viscosity (mPa s) = 0.95836 + Viscosity (mPa s) = 0.96214 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.941e-01 Mass of water (kg) = 1.000e+00 @@ -3240,10 +3240,10 @@ Reaction 1. pH = 8.065 Charge balance pe = -2.519 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 23360 + Specific Conductance (µS/cm, 25°C) = 23345 Density (g/cm³) = 1.01349 Volume (L) = 1.01187 - Viscosity (mPa s) = 0.97590 + Viscosity (mPa s) = 0.98078 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.452e-01 Mass of water (kg) = 1.000e+00 @@ -3327,10 +3327,10 @@ Reaction 1. pH = 8.054 Charge balance pe = 9.722 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 26496 + Specific Conductance (µS/cm, 25°C) = 26476 Density (g/cm³) = 1.01594 Volume (L) = 1.01327 - Viscosity (mPa s) = 0.98809 + Viscosity (mPa s) = 0.99376 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.811e-01 Mass of water (kg) = 1.000e+00 @@ -3414,10 +3414,10 @@ Reaction 1. pH = 8.052 Charge balance pe = 10.445 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27116 + Specific Conductance (µS/cm, 25°C) = 27096 Density (g/cm³) = 1.01643 Volume (L) = 1.01355 - Viscosity (mPa s) = 0.99052 + Viscosity (mPa s) = 0.99635 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.882e-01 Mass of water (kg) = 1.000e+00 @@ -3501,10 +3501,10 @@ Reaction 1. pH = 8.045 Charge balance pe = -2.358 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 29577 + Specific Conductance (µS/cm, 25°C) = 29552 Density (g/cm³) = 1.01839 Volume (L) = 1.01469 - Viscosity (mPa s) = 1.00016 + Viscosity (mPa s) = 1.00663 Activity of water = 0.989 Ionic strength (mol/kgw) = 3.168e-01 Mass of water (kg) = 1.000e+00 @@ -3588,10 +3588,10 @@ Reaction 1. pH = 8.031 Charge balance pe = 9.659 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 34667 + Specific Conductance (µS/cm, 25°C) = 34634 Density (g/cm³) = 1.02255 Volume (L) = 1.01712 - Viscosity (mPa s) = 1.02025 + Viscosity (mPa s) = 1.02808 Activity of water = 0.987 Ionic strength (mol/kgw) = 3.771e-01 Mass of water (kg) = 1.000e+00 @@ -3675,10 +3675,10 @@ Reaction 1. pH = 8.014 Charge balance pe = 9.639 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 41915 + Specific Conductance (µS/cm, 25°C) = 41865 Density (g/cm³) = 1.02866 Volume (L) = 1.02078 - Viscosity (mPa s) = 1.04905 + Viscosity (mPa s) = 1.05892 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.652e-01 Mass of water (kg) = 1.000e+00 @@ -3762,10 +3762,10 @@ Reaction 1. pH = 8.013 Charge balance pe = 10.479 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 42178 + Specific Conductance (µS/cm, 25°C) = 42128 Density (g/cm³) = 1.02889 Volume (L) = 1.02092 - Viscosity (mPa s) = 1.05010 + Viscosity (mPa s) = 1.06005 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.685e-01 Mass of water (kg) = 1.000e+00 @@ -3849,10 +3849,10 @@ Reaction 1. pH = 8.012 Charge balance pe = -2.455 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 42912 + Specific Conductance (µS/cm, 25°C) = 42861 Density (g/cm³) = 1.02952 Volume (L) = 1.02130 - Viscosity (mPa s) = 1.05303 + Viscosity (mPa s) = 1.06319 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.776e-01 Mass of water (kg) = 1.000e+00 @@ -3936,10 +3936,10 @@ Reaction 1. pH = 7.990 Charge balance pe = 9.771 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 53766 + Specific Conductance (µS/cm, 25°C) = 53684 Density (g/cm³) = 1.03916 Volume (L) = 1.02730 - Viscosity (mPa s) = 1.09629 + Viscosity (mPa s) = 1.10975 Activity of water = 0.978 Ionic strength (mol/kgw) = 6.155e-01 Mass of water (kg) = 1.000e+00 @@ -4023,10 +4023,10 @@ Reaction 1. pH = 7.987 Charge balance pe = 10.547 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 55368 + Specific Conductance (µS/cm, 25°C) = 55281 Density (g/cm³) = 1.04063 Volume (L) = 1.02823 - Viscosity (mPa s) = 1.10266 + Viscosity (mPa s) = 1.11663 Activity of water = 0.977 Ionic strength (mol/kgw) = 6.363e-01 Mass of water (kg) = 1.000e+00 @@ -4110,10 +4110,10 @@ Reaction 1. pH = 7.979 Charge balance pe = -2.465 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 60499 + Specific Conductance (µS/cm, 25°C) = 60395 Density (g/cm³) = 1.04542 Volume (L) = 1.03131 - Viscosity (mPa s) = 1.12299 + Viscosity (mPa s) = 1.13863 Activity of water = 0.975 Ionic strength (mol/kgw) = 7.042e-01 Mass of water (kg) = 1.000e+00 @@ -4197,10 +4197,10 @@ Reaction 1. pH = 7.977 Charge balance pe = -2.250 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 61713 + Specific Conductance (µS/cm, 25°C) = 61604 Density (g/cm³) = 1.04656 Volume (L) = 1.03206 - Viscosity (mPa s) = 1.12778 + Viscosity (mPa s) = 1.14383 Activity of water = 0.974 Ionic strength (mol/kgw) = 7.205e-01 Mass of water (kg) = 1.000e+00 @@ -4284,10 +4284,10 @@ Reaction 1. pH = 7.967 Charge balance pe = 10.508 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 68149 + Specific Conductance (µS/cm, 25°C) = 68017 Density (g/cm³) = 1.05277 Volume (L) = 1.03615 - Viscosity (mPa s) = 1.15302 + Viscosity (mPa s) = 1.17127 Activity of water = 0.971 Ionic strength (mol/kgw) = 8.082e-01 Mass of water (kg) = 1.000e+00 @@ -4371,10 +4371,10 @@ Reaction 1. pH = 7.960 Charge balance pe = 10.585 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 73075 + Specific Conductance (µS/cm, 25°C) = 72923 Density (g/cm³) = 1.05766 Volume (L) = 1.03944 - Viscosity (mPa s) = 1.17211 + Viscosity (mPa s) = 1.19211 Activity of water = 0.968 Ionic strength (mol/kgw) = 8.769e-01 Mass of water (kg) = 1.000e+00 @@ -4458,10 +4458,10 @@ Reaction 1. pH = 7.955 Charge balance pe = 9.675 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 76276 + Specific Conductance (µS/cm, 25°C) = 76110 Density (g/cm³) = 1.06089 Volume (L) = 1.04165 - Viscosity (mPa s) = 1.18438 + Viscosity (mPa s) = 1.20555 Activity of water = 0.967 Ionic strength (mol/kgw) = 9.224e-01 Mass of water (kg) = 1.000e+00 @@ -4650,10 +4650,10 @@ Reaction 1. pH = 7.950 Charge balance pe = 9.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 50586 + Specific Conductance (µS/cm, 35°C) = 50514 Density (g/cm³) = 1.02542 Volume (L) = 1.02437 - Viscosity (mPa s) = 0.86671 + Viscosity (mPa s) = 0.87681 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.633e-01 Mass of water (kg) = 1.000e+00 @@ -4737,10 +4737,10 @@ Reaction 1. pH = 7.990 Charge balance pe = 9.099 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 32667 + Specific Conductance (µS/cm, 35°C) = 32637 Density (g/cm³) = 1.01313 Volume (L) = 1.01686 - Viscosity (mPa s) = 0.81100 + Viscosity (mPa s) = 0.81694 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.860e-01 Mass of water (kg) = 1.000e+00 @@ -4824,10 +4824,10 @@ Reaction 1. pH = 8.041 Charge balance pe = 9.056 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 17570 + Specific Conductance (µS/cm, 35°C) = 17561 Density (g/cm³) = 1.00368 Volume (L) = 1.01134 - Viscosity (mPa s) = 0.76646 + Viscosity (mPa s) = 0.76933 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.465e-01 Mass of water (kg) = 1.000e+00 @@ -4911,10 +4911,10 @@ Reaction 1. pH = 8.083 Charge balance pe = -2.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 9893 + Specific Conductance (µS/cm, 35°C) = 9891 Density (g/cm³) = 0.99924 Volume (L) = 1.00884 - Viscosity (mPa s) = 0.74503 + Viscosity (mPa s) = 0.74652 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.970e-02 Mass of water (kg) = 1.000e+00 @@ -4998,10 +4998,10 @@ Reaction 1. pH = 8.112 Charge balance pe = 8.846 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 6374 + Specific Conductance (µS/cm, 35°C) = 6373 Density (g/cm³) = 0.99730 Volume (L) = 1.00777 - Viscosity (mPa s) = 0.73559 + Viscosity (mPa s) = 0.73650 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.023e-02 Mass of water (kg) = 1.000e+00 @@ -5088,7 +5088,7 @@ Reaction 1. Specific Conductance (µS/cm, 35°C) = 3911 Density (g/cm³) = 0.99599 Volume (L) = 1.00706 - Viscosity (mPa s) = 0.72916 + Viscosity (mPa s) = 0.72969 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.019e-02 Mass of water (kg) = 1.000e+00 @@ -5175,7 +5175,7 @@ Reaction 1. Specific Conductance (µS/cm, 35°C) = 2007 Density (g/cm³) = 0.99501 Volume (L) = 1.00653 - Viscosity (mPa s) = 0.72431 + Viscosity (mPa s) = 0.72456 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.514e-02 Mass of water (kg) = 1.000e+00 @@ -5364,10 +5364,10 @@ Reaction 1. pH = 7.907 Charge balance pe = 8.405 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 59149 + Specific Conductance (µS/cm, 45°C) = 59049 Density (g/cm³) = 1.02127 Volume (L) = 1.02853 - Viscosity (mPa s) = 0.73307 + Viscosity (mPa s) = 0.74340 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.581e-01 Mass of water (kg) = 1.000e+00 @@ -5451,10 +5451,10 @@ Reaction 1. pH = 7.947 Charge balance pe = 8.387 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 38360 + Specific Conductance (µS/cm, 45°C) = 38317 Density (g/cm³) = 1.00911 Volume (L) = 1.02091 - Viscosity (mPa s) = 0.68094 + Viscosity (mPa s) = 0.68704 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.837e-01 Mass of water (kg) = 1.000e+00 @@ -5538,10 +5538,10 @@ Reaction 1. pH = 7.998 Charge balance pe = 8.344 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 20718 + Specific Conductance (µS/cm, 45°C) = 20706 Density (g/cm³) = 0.99976 Volume (L) = 1.01531 - Viscosity (mPa s) = 0.63952 + Viscosity (mPa s) = 0.64248 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.458e-01 Mass of water (kg) = 1.000e+00 @@ -5625,10 +5625,10 @@ Reaction 1. pH = 8.041 Charge balance pe = -2.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 11697 + Specific Conductance (µS/cm, 45°C) = 11693 Density (g/cm³) = 0.99536 Volume (L) = 1.01277 - Viscosity (mPa s) = 0.61966 + Viscosity (mPa s) = 0.62120 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.947e-02 Mass of water (kg) = 1.000e+00 @@ -5712,10 +5712,10 @@ Reaction 1. pH = 8.070 Charge balance pe = 8.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 7547 + Specific Conductance (µS/cm, 45°C) = 7545 Density (g/cm³) = 0.99345 Volume (L) = 1.01168 - Viscosity (mPa s) = 0.61093 + Viscosity (mPa s) = 0.61187 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.014e-02 Mass of water (kg) = 1.000e+00 @@ -5802,7 +5802,7 @@ Reaction 1. Specific Conductance (µS/cm, 45°C) = 4635 Density (g/cm³) = 0.99215 Volume (L) = 1.01096 - Viscosity (mPa s) = 0.60499 + Viscosity (mPa s) = 0.60554 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.015e-02 Mass of water (kg) = 1.000e+00 @@ -5886,10 +5886,10 @@ Reaction 1. pH = 8.128 Charge balance pe = -2.339 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 2382 + Specific Conductance (µS/cm, 45°C) = 2381 Density (g/cm³) = 0.99118 Volume (L) = 1.01042 - Viscosity (mPa s) = 0.60052 + Viscosity (mPa s) = 0.60079 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.513e-02 Mass of water (kg) = 1.000e+00 @@ -6078,10 +6078,10 @@ Reaction 1. pH = 7.882 Charge balance pe = 7.729 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 67763 + Specific Conductance (µS/cm, 55°C) = 67628 Density (g/cm³) = 1.01653 Volume (L) = 1.03333 - Viscosity (mPa s) = 0.63234 + Viscosity (mPa s) = 0.64298 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.529e-01 Mass of water (kg) = 1.000e+00 @@ -6165,10 +6165,10 @@ Reaction 1. pH = 7.921 Charge balance pe = 7.705 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 44122 + Specific Conductance (µS/cm, 55°C) = 44065 Density (g/cm³) = 1.00445 Volume (L) = 1.02564 - Viscosity (mPa s) = 0.58342 + Viscosity (mPa s) = 0.58974 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.813e-01 Mass of water (kg) = 1.000e+00 @@ -6252,10 +6252,10 @@ Reaction 1. pH = 7.973 Charge balance pe = 7.662 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 23929 + Specific Conductance (µS/cm, 55°C) = 23912 Density (g/cm³) = 0.99517 Volume (L) = 1.01999 - Viscosity (mPa s) = 0.54457 + Viscosity (mPa s) = 0.54765 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.451e-01 Mass of water (kg) = 1.000e+00 @@ -6339,10 +6339,10 @@ Reaction 1. pH = 8.016 Charge balance pe = -2.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 13544 + Specific Conductance (µS/cm, 55°C) = 13539 Density (g/cm³) = 0.99081 Volume (L) = 1.01743 - Viscosity (mPa s) = 0.52596 + Viscosity (mPa s) = 0.52757 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.923e-02 Mass of water (kg) = 1.000e+00 @@ -6426,10 +6426,10 @@ Reaction 1. pH = 8.045 Charge balance pe = 7.954 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 8751 + Specific Conductance (µS/cm, 55°C) = 8749 Density (g/cm³) = 0.98890 Volume (L) = 1.01633 - Viscosity (mPa s) = 0.51778 + Viscosity (mPa s) = 0.51876 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.004e-02 Mass of water (kg) = 1.000e+00 @@ -6513,10 +6513,10 @@ Reaction 1. pH = 8.072 Charge balance pe = -2.598 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 5382 + Specific Conductance (µS/cm, 55°C) = 5381 Density (g/cm³) = 0.98762 Volume (L) = 1.01560 - Viscosity (mPa s) = 0.51222 + Viscosity (mPa s) = 0.51280 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.012e-02 Mass of water (kg) = 1.000e+00 @@ -6603,7 +6603,7 @@ Reaction 1. Specific Conductance (µS/cm, 55°C) = 2768 Density (g/cm³) = 0.98665 Volume (L) = 1.01506 - Viscosity (mPa s) = 0.50804 + Viscosity (mPa s) = 0.50832 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.512e-02 Mass of water (kg) = 1.000e+00 @@ -6792,10 +6792,10 @@ Reaction 1. pH = 7.871 Charge balance pe = 7.080 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 76331 + Specific Conductance (µS/cm, 65°C) = 76154 Density (g/cm³) = 1.01123 Volume (L) = 1.03874 - Viscosity (mPa s) = 0.55422 + Viscosity (mPa s) = 0.56526 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.476e-01 Mass of water (kg) = 1.000e+00 @@ -6879,10 +6879,10 @@ Reaction 1. pH = 7.910 Charge balance pe = 7.051 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 49888 + Specific Conductance (µS/cm, 65°C) = 49812 Density (g/cm³) = 0.99922 Volume (L) = 1.03101 - Viscosity (mPa s) = 0.50822 + Viscosity (mPa s) = 0.51481 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.789e-01 Mass of water (kg) = 1.000e+00 @@ -6966,10 +6966,10 @@ Reaction 1. pH = 7.962 Charge balance pe = 7.011 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 27165 + Specific Conductance (µS/cm, 65°C) = 27142 Density (g/cm³) = 0.98999 Volume (L) = 1.02533 - Viscosity (mPa s) = 0.47157 + Viscosity (mPa s) = 0.47479 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.443e-01 Mass of water (kg) = 1.000e+00 @@ -7053,10 +7053,10 @@ Reaction 1. pH = 8.005 Charge balance pe = -2.137 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 15415 + Specific Conductance (µS/cm, 65°C) = 15408 Density (g/cm³) = 0.98565 Volume (L) = 1.02275 - Viscosity (mPa s) = 0.45398 + Viscosity (mPa s) = 0.45567 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.897e-02 Mass of water (kg) = 1.000e+00 @@ -7140,10 +7140,10 @@ Reaction 1. pH = 8.034 Charge balance pe = 6.804 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 9974 + Specific Conductance (µS/cm, 65°C) = 9971 Density (g/cm³) = 0.98375 Volume (L) = 1.02165 - Viscosity (mPa s) = 0.44625 + Viscosity (mPa s) = 0.44729 Activity of water = 0.998 Ionic strength (mol/kgw) = 4.993e-02 Mass of water (kg) = 1.000e+00 @@ -7227,10 +7227,10 @@ Reaction 1. pH = 8.060 Charge balance pe = -2.604 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 6141 + Specific Conductance (µS/cm, 65°C) = 6140 Density (g/cm³) = 0.98247 Volume (L) = 1.02092 - Viscosity (mPa s) = 0.44100 + Viscosity (mPa s) = 0.44161 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.007e-02 Mass of water (kg) = 1.000e+00 @@ -7314,10 +7314,10 @@ Reaction 1. pH = 8.086 Charge balance pe = -2.333 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 3163 + Specific Conductance (µS/cm, 65°C) = 3162 Density (g/cm³) = 0.98151 Volume (L) = 1.02038 - Viscosity (mPa s) = 0.43706 + Viscosity (mPa s) = 0.43736 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.511e-02 Mass of water (kg) = 1.000e+00 @@ -7506,10 +7506,10 @@ Reaction 1. pH = 7.872 Charge balance pe = 6.456 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 84766 + Specific Conductance (µS/cm, 75°C) = 84539 Density (g/cm³) = 1.00544 Volume (L) = 1.04473 - Viscosity (mPa s) = 0.49208 + Viscosity (mPa s) = 0.50360 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.425e-01 Mass of water (kg) = 1.000e+00 @@ -7593,10 +7593,10 @@ Reaction 1. pH = 7.912 Charge balance pe = 6.424 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 55596 + Specific Conductance (µS/cm, 75°C) = 55496 Density (g/cm³) = 0.99347 Volume (L) = 1.03698 - Viscosity (mPa s) = 0.44880 + Viscosity (mPa s) = 0.45569 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.766e-01 Mass of water (kg) = 1.000e+00 @@ -7680,10 +7680,10 @@ Reaction 1. pH = 7.964 Charge balance pe = 6.381 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 30389 + Specific Conductance (µS/cm, 75°C) = 30359 Density (g/cm³) = 0.98427 Volume (L) = 1.03129 - Viscosity (mPa s) = 0.41411 + Viscosity (mPa s) = 0.41749 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.435e-01 Mass of water (kg) = 1.000e+00 @@ -7767,10 +7767,10 @@ Reaction 1. pH = 8.007 Charge balance pe = -2.165 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 17289 + Specific Conductance (µS/cm, 75°C) = 17279 Density (g/cm³) = 0.97993 Volume (L) = 1.02872 - Viscosity (mPa s) = 0.39741 + Viscosity (mPa s) = 0.39919 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.870e-02 Mass of water (kg) = 1.000e+00 @@ -7854,10 +7854,10 @@ Reaction 1. pH = 8.035 Charge balance pe = 6.737 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 11203 + Specific Conductance (µS/cm, 75°C) = 11199 Density (g/cm³) = 0.97804 Volume (L) = 1.02762 - Viscosity (mPa s) = 0.39007 + Viscosity (mPa s) = 0.39116 Activity of water = 0.998 Ionic strength (mol/kgw) = 4.981e-02 Mass of water (kg) = 1.000e+00 @@ -7941,10 +7941,10 @@ Reaction 1. pH = 8.060 Charge balance pe = -2.620 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 6906 + Specific Conductance (µS/cm, 75°C) = 6905 Density (g/cm³) = 0.97676 Volume (L) = 1.02689 - Viscosity (mPa s) = 0.38508 + Viscosity (mPa s) = 0.38573 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.003e-02 Mass of water (kg) = 1.000e+00 @@ -8031,7 +8031,7 @@ Reaction 1. Specific Conductance (µS/cm, 75°C) = 3561 Density (g/cm³) = 0.97580 Volume (L) = 1.02635 - Viscosity (mPa s) = 0.38134 + Viscosity (mPa s) = 0.38167 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.510e-02 Mass of water (kg) = 1.000e+00 @@ -8220,10 +8220,10 @@ Reaction 1. pH = 7.885 Charge balance pe = 5.852 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 92997 + Specific Conductance (µS/cm, 85°C) = 92710 Density (g/cm³) = 0.99917 Volume (L) = 1.05128 - Viscosity (mPa s) = 0.44139 + Viscosity (mPa s) = 0.45347 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.375e-01 Mass of water (kg) = 1.000e+00 @@ -8307,10 +8307,10 @@ Reaction 1. pH = 7.925 Charge balance pe = 5.821 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 61191 + Specific Conductance (µS/cm, 85°C) = 61063 Density (g/cm³) = 0.98723 Volume (L) = 1.04353 - Viscosity (mPa s) = 0.40074 + Viscosity (mPa s) = 0.40799 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.742e-01 Mass of water (kg) = 1.000e+00 @@ -8394,10 +8394,10 @@ Reaction 1. pH = 7.977 Charge balance pe = 5.778 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 33569 + Specific Conductance (µS/cm, 85°C) = 33530 Density (g/cm³) = 0.97804 Volume (L) = 1.03786 - Viscosity (mPa s) = 0.36790 + Viscosity (mPa s) = 0.37149 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.428e-01 Mass of water (kg) = 1.000e+00 @@ -8481,10 +8481,10 @@ Reaction 1. pH = 8.019 Charge balance pe = -2.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 19145 + Specific Conductance (µS/cm, 85°C) = 19133 Density (g/cm³) = 0.97371 Volume (L) = 1.03529 - Viscosity (mPa s) = 0.35205 + Viscosity (mPa s) = 0.35394 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.842e-02 Mass of water (kg) = 1.000e+00 @@ -8568,10 +8568,10 @@ Reaction 1. pH = 8.046 Charge balance pe = 5.577 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 12424 + Specific Conductance (µS/cm, 85°C) = 12418 Density (g/cm³) = 0.97181 Volume (L) = 1.03420 - Viscosity (mPa s) = 0.34507 + Viscosity (mPa s) = 0.34624 Activity of water = 0.998 Ionic strength (mol/kgw) = 4.969e-02 Mass of water (kg) = 1.000e+00 @@ -8655,10 +8655,10 @@ Reaction 1. pH = 8.068 Charge balance pe = -2.644 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 7668 + Specific Conductance (µS/cm, 85°C) = 7666 Density (g/cm³) = 0.97053 Volume (L) = 1.03347 - Viscosity (mPa s) = 0.34034 + Viscosity (mPa s) = 0.34104 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.998e-02 Mass of water (kg) = 1.000e+00 @@ -8745,7 +8745,7 @@ Reaction 1. Specific Conductance (µS/cm, 85°C) = 3959 Density (g/cm³) = 0.96957 Volume (L) = 1.03294 - Viscosity (mPa s) = 0.33679 + Viscosity (mPa s) = 0.33716 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.508e-02 Mass of water (kg) = 1.000e+00 @@ -8934,10 +8934,10 @@ Reaction 1. pH = 7.908 Charge balance pe = 5.278 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 100967 + Specific Conductance (µS/cm, 95°C) = 100611 Density (g/cm³) = 0.99246 Volume (L) = 1.05839 - Viscosity (mPa s) = 0.39888 + Viscosity (mPa s) = 0.41160 Activity of water = 0.984 Ionic strength (mol/kgw) = 4.326e-01 Mass of water (kg) = 1.000e+00 @@ -9021,10 +9021,10 @@ Reaction 1. pH = 7.948 Charge balance pe = 5.243 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 66627 + Specific Conductance (µS/cm, 95°C) = 66466 Density (g/cm³) = 0.98053 Volume (L) = 1.05066 - Viscosity (mPa s) = 0.36092 + Viscosity (mPa s) = 0.36859 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.718e-01 Mass of water (kg) = 1.000e+00 @@ -9108,10 +9108,10 @@ Reaction 1. pH = 7.999 Charge balance pe = 5.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 36675 + Specific Conductance (µS/cm, 95°C) = 36626 Density (g/cm³) = 0.97134 Volume (L) = 1.04502 - Viscosity (mPa s) = 0.32998 + Viscosity (mPa s) = 0.33379 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.420e-01 Mass of water (kg) = 1.000e+00 @@ -9195,10 +9195,10 @@ Reaction 1. pH = 8.040 Charge balance pe = -2.214 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 20967 + Specific Conductance (µS/cm, 95°C) = 20951 Density (g/cm³) = 0.96700 Volume (L) = 1.04248 - Viscosity (mPa s) = 0.31499 + Viscosity (mPa s) = 0.31702 Activity of water = 0.997 Ionic strength (mol/kgw) = 7.814e-02 Mass of water (kg) = 1.000e+00 @@ -9282,10 +9282,10 @@ Reaction 1. pH = 8.065 Charge balance pe = 4.999 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 13625 + Specific Conductance (µS/cm, 95°C) = 13618 Density (g/cm³) = 0.96510 Volume (L) = 1.04139 - Viscosity (mPa s) = 0.30840 + Viscosity (mPa s) = 0.30966 Activity of water = 0.998 Ionic strength (mol/kgw) = 4.956e-02 Mass of water (kg) = 1.000e+00 @@ -9369,10 +9369,10 @@ Reaction 1. pH = 8.083 Charge balance pe = -2.672 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 8420 + Specific Conductance (µS/cm, 95°C) = 8418 Density (g/cm³) = 0.96382 Volume (L) = 1.04067 - Viscosity (mPa s) = 0.30393 + Viscosity (mPa s) = 0.30470 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.992e-02 Mass of water (kg) = 1.000e+00 @@ -9456,10 +9456,10 @@ Reaction 1. pH = 8.088 Charge balance pe = -2.380 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 4354 + Specific Conductance (µS/cm, 95°C) = 4353 Density (g/cm³) = 0.96285 Volume (L) = 1.04015 - Viscosity (mPa s) = 0.30059 + Viscosity (mPa s) = 0.30100 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.506e-02 Mass of water (kg) = 1.000e+00 diff --git a/mytest/Vm_KHCO3_sol_101.sel b/mytest/Vm_KHCO3_sol_101.sel index 5cda248e8..1e415d5c4 100644 --- a/mytest/Vm_KHCO3_sol_101.sel +++ b/mytest/Vm_KHCO3_sol_101.sel @@ -1,108 +1,108 @@ Mu SC 0.000000100644 0.0547821292 0.000000043183 0.0164557980 - 0.478413064340 26302.8598974337 - 0.292470988471 16743.3878514718 - 0.148490912326 8886.1095321099 - 0.080326086541 4965.3051850428 - 0.050486392985 3186.3415602766 - 0.030273639507 1948.8296182330 - 0.015152456661 997.3453836023 + 0.478413064340 26283.3444445867 + 0.292470988471 16735.7620301957 + 0.148490912326 8884.0731938873 + 0.080326086541 4964.7017166676 + 0.050486392985 3186.1026756152 + 0.030273639507 1948.7438842854 + 0.015152456661 997.3240237358 0.000000054251 0.0229565195 - 0.476003523017 30113.4419407170 - 0.291449605918 19219.8716014712 - 0.148188650832 10224.3170444849 - 0.080230166838 5720.5139447987 - 0.050447625063 3673.4146578632 - 0.030260144439 2247.9017250342 - 0.015149755795 1150.9431343445 + 0.476003523017 30087.8153332774 + 0.291449605918 19209.7833406864 + 0.148188650832 10221.6098877738 + 0.080230166838 5719.7100770334 + 0.050447625063 3673.0961851572 + 0.030260144439 2247.7873601194 + 0.015149755795 1150.9146225552 0.000000067373 0.0312920192 - 0.473544762823 34041.4323676446 - 0.290401499879 21781.6437809830 - 0.147877040268 11613.4341729908 - 0.080131179440 6506.1156810179 - 0.050407687563 4180.6631875386 - 0.030246323385 2559.6454651664 - 0.015147050691 1311.1843794134 + 0.473544762823 34008.7339520089 + 0.290401499879 21768.6546449353 + 0.147877040268 11609.9250684128 + 0.080131179440 6505.0703944259 + 0.050407687563 4180.2484764606 + 0.030246323385 2559.4963786296 + 0.015147050691 1311.1471686946 0.000000100644 0.0547821292 - 0.015141424419 1649.3584357173 - 0.030217377683 3216.6628713539 - 0.050323896291 5248.1797368342 - 0.079923669111 8156.4934691684 - 0.087186634071 8858.3024624996 - 0.096853739307 9786.1832513506 - 0.100088052862 10095.1144856718 - 0.147226581657 14522.0253420763 - 0.172087349006 16806.7850206519 - 0.194084271888 18803.2179159116 - 0.245201456796 23360.6382181328 - 0.281066961224 26496.1514557837 - 0.288232830453 27116.9053674016 - 0.316841613706 29577.0663334791 - 0.377084358730 34667.6918263336 - 0.465243379783 41915.0882504461 - 0.468504331156 42178.8299645319 - 0.477600772468 42912.9610506103 - 0.615455727636 53766.4969603877 - 0.636346033074 55368.6300201760 - 0.704202061954 60499.3382622644 - 0.720471331894 61713.1690773630 - 0.808153569961 68149.8169282385 - 0.876897816493 73075.6891547826 - 0.922358223976 76276.7583580512 - 0.000000144671 0.0897028168 - 0.463343106870 50586.5058404538 - 0.285982267398 32667.8734438976 - 0.146542073611 17570.1987132911 - 0.079703289263 9893.9605775805 - 0.050234404723 6374.8131375732 - 0.030186239896 3911.4673452323 - 0.015135189615 2007.6714735471 + 0.015141424419 1649.2983089327 + 0.030217377683 3216.4227721682 + 0.050323896291 5247.5138955364 + 0.079923669111 8154.8216865936 + 0.087186634071 8856.3162304410 + 0.096853739307 9783.7378885847 + 0.100088052862 10092.5052463540 + 0.147226581657 14516.4578879561 + 0.172087349006 16799.2414153383 + 0.194084271888 18793.6958257518 + 0.245201456796 23345.7192556596 + 0.281066961224 26476.8094294011 + 0.288232830453 27096.6192114204 + 0.316841613706 29552.8163469330 + 0.377084358730 34634.1172270531 + 0.465243379783 41865.6413804823 + 0.468504331156 42128.7481682964 + 0.477600772468 42861.0907650361 + 0.615455727636 53684.5541230715 + 0.636346033074 55281.6708827962 + 0.704202061954 60395.3090472673 + 0.720471331894 61604.8760069981 + 0.808153569961 68017.4559971251 + 0.876897816493 72923.2275083315 + 0.922358223976 76110.4354801935 + 0.000000144671 0.0897028169 + 0.463343106870 50514.0933973656 + 0.285982267398 32637.9730751522 + 0.146542073611 17561.8546771930 + 0.079703289263 9891.4322738596 + 0.050234404723 6373.8015293431 + 0.030186239896 3911.1011662862 + 0.015135189615 2007.5793535245 0.000000200960 0.1389183081 - 0.458113214298 59149.9753509946 - 0.283669067286 38360.0701867315 - 0.145827173257 20718.8068787281 - 0.079470260784 11697.1458117523 - 0.050138829557 7547.1102214431 - 0.030152430868 4635.9962737344 - 0.015127954562 2382.1032153309 - 0.000000270724 0.2051343436 - 0.452865167447 67763.8865401637 - 0.281313281690 44122.7860033459 - 0.145086247419 23929.5770089421 - 0.079225112966 13544.8157990469 - 0.050036909836 8751.6051445014 - 0.030115484549 5382.1423055914 - 0.015119283952 2768.6050924202 - 0.000000354775 0.2906266080 - 0.447646263808 76331.5260956816 - 0.278934871835 49888.9495837909 - 0.144324042073 27165.0303219824 - 0.078968533614 15415.7946632004 - 0.049928412799 9974.7517356440 - 0.030074887330 6141.7044925783 - 0.015108672546 3163.0725566797 - 0.000000453436 0.3969732291 - 0.442499607695 84766.7507812140 - 0.276553051606 55596.5863283702 - 0.143545404031 30389.2726225109 - 0.078701234176 17289.3764545145 - 0.049813049046 11203.1723521439 - 0.030030030475 6906.5315221782 - 0.015095546840 3561.4127718477 - 0.000000566469 0.5248208353 - 0.437463619017 92997.1426377581 - 0.274185812954 61191.0383072118 - 0.142755040727 33569.1918790726 - 0.078423827678 19145.9630089852 - 0.049690403406 12424.0480135279 - 0.029980191621 7668.7474077695 - 0.015079316812 3959.6494161455 - 0.000000693037 0.6737094650 - 0.432571899874 100967.9960918676 - 0.271849597076 66627.6065595570 - 0.141957314783 36675.8311343923 - 0.078136729860 20967.7776631074 - 0.049559901904 13625.5457707838 - 0.029924573588 8420.9910648496 - 0.015059494170 4354.0286080992 + 0.458113214298 59049.5142749189 + 0.283669067286 38317.8286296216 + 0.145827173257 20706.8207245423 + 0.079470260784 11693.4791917508 + 0.050138829557 7545.6357013130 + 0.030152430868 4635.4601116749 + 0.015127954562 2381.9675132961 + 0.000000270724 0.2051343431 + 0.452865167447 67628.8756453087 + 0.281313281690 44065.0486306538 + 0.145086247419 23912.9230276756 + 0.079225112966 13539.6707996380 + 0.050036909836 8749.5245335696 + 0.030115484549 5381.3816626322 + 0.015119283952 2768.4110048713 + 0.000000354775 0.2906266063 + 0.447646263808 76154.6465313439 + 0.278934871835 49812.1132525660 + 0.144324042073 27142.5090928964 + 0.078968533614 15408.7655098853 + 0.049928412799 9971.8914250107 + 0.030074887330 6140.6518636494 + 0.015108672546 3162.8009895862 + 0.000000453436 0.3969732245 + 0.442499607695 84539.7675302533 + 0.276553051606 55496.5594081350 + 0.143545404031 30359.4925907324 + 0.078701234176 17279.9816367774 + 0.049813049046 11199.3220712176 + 0.030030030475 6905.1027516642 + 0.015095546840 3561.0386231131 + 0.000000566469 0.5248208249 + 0.437463619017 92710.6762531749 + 0.274185812954 61063.1553417251 + 0.142755040727 33530.5386029804 + 0.078423827678 19133.6297380392 + 0.049690403406 12418.9510822123 + 0.029980191621 7666.8358694221 + 0.015079316812 3959.1388222281 + 0.000000693037 0.6737094450 + 0.432571899874 100611.0489048588 + 0.271849597076 66466.4514368640 + 0.141957314783 36626.4109071656 + 0.078136729860 20951.8156763216 + 0.049559901904 13618.8830281201 + 0.029924573588 8418.4582018623 + 0.015059494170 4353.3346393536 diff --git a/mytest/Vm_LiCl_sol_101.sel b/mytest/Vm_LiCl_sol_101.sel index bdcd466e6..89823cd87 100644 --- a/mytest/Vm_LiCl_sol_101.sel +++ b/mytest/Vm_LiCl_sol_101.sel @@ -1,356 +1,356 @@ Mu SC 0.000000100644 0.0547821292 0.000000043183 0.0164557980 - 0.050000051179 3066.8459538156 - 0.100000053328 5895.6435231266 - 0.118900053901 6932.8923013843 - 0.200000055677 11250.4087764405 - 0.238300056287 13231.8417451237 - 0.300000057090 16364.8546082945 - 0.358100057709 19259.5391691692 - 0.400000058096 21318.5133694295 - 0.478600058722 25124.8426695627 - 0.478600058722 25124.8426695627 - 0.500000058875 26149.6816802862 - 0.600000059512 30880.7002373261 - 0.700000060053 35526.0731863037 - 0.721000060157 36491.7232874838 - 0.800000060523 40095.9000781686 - 0.900000060940 44597.5747872076 - 1.000000061313 49036.7200862853 - 1.000000061313 49036.7200862853 - 1.200000061958 57744.1803523632 - 1.212800061995 58294.1783131152 - 1.400000062495 66244.4275083292 - 1.600000062946 74555.5350857813 - 1.800000063323 82690.7646299790 - 2.000000063635 90660.3111102647 - 2.000000063635 90660.3111102647 - 2.500000064168 109909.2963538447 - 3.000000064405 128264.9767955776 - 3.000000064405 128264.9767955776 - 3.500000064405 145794.2395153091 - 4.500000063865 178573.5404271661 - 6.000000062157 222625.8334533170 - 8.000000058868 273112.0161630685 - 11.000000052513 334388.0078102352 - 14.000000044702 382122.1968059484 - 17.800000032570 428283.6716390583 + 0.050000051179 3066.8459524645 + 0.100000053328 5895.6435191452 + 0.118900053901 6932.8922961904 + 0.200000055677 11250.4087649841 + 0.238300056287 13231.8417302027 + 0.300000057090 16364.8545872162 + 0.358100057709 19259.5391417162 + 0.400000058096 21318.5133370678 + 0.478600058722 25124.8426273594 + 0.478600058722 25124.8426273594 + 0.500000058875 26149.6816352710 + 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Specific Conductance (µS/cm, 1°C) = 1046 Density (g/cm³) = 1.00107 Volume (L) = 0.99996 - Viscosity (mPa s) = 1.74235 + Viscosity (mPa s) = 1.74238 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.865e-02 Mass of water (kg) = 1.000e+00 @@ -306,7 +306,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 1949 Density (g/cm³) = 1.00222 Volume (L) = 0.99984 - Viscosity (mPa s) = 1.75191 + Viscosity (mPa s) = 1.75196 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.737e-02 Mass of water (kg) = 1.000e+00 @@ -387,7 +387,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 2202 Density (g/cm³) = 1.00256 Volume (L) = 0.99980 - Viscosity (mPa s) = 1.75469 + Viscosity (mPa s) = 1.75475 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.581e-02 Mass of water (kg) = 1.000e+00 @@ -468,7 +468,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 4037 Density (g/cm³) = 1.00516 Volume (L) = 0.99953 - Viscosity (mPa s) = 1.77655 + Viscosity (mPa s) = 1.77664 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.317e-01 Mass of water (kg) = 1.000e+00 @@ -549,7 +549,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 4330 Density (g/cm³) = 1.00560 Volume (L) = 0.99949 - Viscosity (mPa s) = 1.78030 + Viscosity (mPa s) = 1.78040 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.428e-01 Mass of water (kg) = 1.000e+00 @@ -630,7 +630,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 5787 Density (g/cm³) = 1.00786 Volume (L) = 0.99927 - Viscosity (mPa s) = 1.80008 + Viscosity (mPa s) = 1.80021 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.006e-01 Mass of water (kg) = 1.000e+00 @@ -711,7 +711,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 5793 Density (g/cm³) = 1.00787 Volume (L) = 0.99927 - Viscosity (mPa s) = 1.80016 + Viscosity (mPa s) = 1.80029 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.008e-01 Mass of water (kg) = 1.000e+00 @@ -792,7 +792,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 7438 Density (g/cm³) = 1.01058 Volume (L) = 0.99904 - Viscosity (mPa s) = 1.82475 + Viscosity (mPa s) = 1.82491 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.703e-01 Mass of water (kg) = 1.000e+00 @@ -873,7 +873,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 9880 Density (g/cm³) = 1.01485 Volume (L) = 0.99870 - Viscosity (mPa s) = 1.86575 + Viscosity (mPa s) = 1.86597 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.812e-01 Mass of water (kg) = 1.000e+00 @@ -954,7 +954,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 10120 Density (g/cm³) = 1.01528 Volume (L) = 0.99867 - Viscosity (mPa s) = 1.87009 + Viscosity (mPa s) = 1.87031 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.926e-01 Mass of water (kg) = 1.000e+00 @@ -1035,7 +1035,7 @@ Reaction 1. Specific Conductance (µS/cm, 1°C) = 10154 Density (g/cm³) = 1.01535 Volume (L) = 0.99866 - Viscosity (mPa s) = 1.87070 + Viscosity (mPa s) = 1.87093 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.942e-01 Mass of water (kg) = 1.000e+00 @@ -1113,10 +1113,10 @@ Reaction 1. pH = 12.013 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 13105 + Specific Conductance (µS/cm, 1°C) = 13104 Density (g/cm³) = 1.02094 Volume (L) = 0.99828 - Viscosity (mPa s) = 1.92883 + Viscosity (mPa s) = 1.92912 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.413e-01 Mass of water (kg) = 1.000e+00 @@ -1194,10 +1194,10 @@ Reaction 1. pH = 12.056 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 16748 + Specific Conductance (µS/cm, 1°C) = 16746 Density (g/cm³) = 1.02845 Volume (L) = 0.99787 - Viscosity (mPa s) = 2.01387 + Viscosity (mPa s) = 2.01425 Activity of water = 0.990 Ionic strength (mol/kgw) = 7.410e-01 Mass of water (kg) = 1.000e+00 @@ -1275,10 +1275,10 @@ Reaction 1. pH = 12.115 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 22873 + Specific Conductance (µS/cm, 1°C) = 22870 Density (g/cm³) = 1.04270 Volume (L) = 0.99737 - Viscosity (mPa s) = 2.19832 + Viscosity (mPa s) = 2.19887 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.128e+00 Mass of water (kg) = 1.000e+00 @@ -1356,10 +1356,10 @@ Reaction 1. pH = 12.153 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 27500 + Specific Conductance (µS/cm, 1°C) = 27495 Density (g/cm³) = 1.05512 Volume (L) = 0.99721 - Viscosity (mPa s) = 2.38448 + Viscosity (mPa s) = 2.38517 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.474e+00 Mass of water (kg) = 1.000e+00 @@ -1437,10 +1437,10 @@ Reaction 1. pH = 12.190 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 32136 + Specific Conductance (µS/cm, 1°C) = 32130 Density (g/cm³) = 1.06948 Volume (L) = 0.99734 - Viscosity (mPa s) = 2.63100 + Viscosity (mPa s) = 2.63186 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.883e+00 Mass of water (kg) = 9.999e-01 @@ -1623,7 +1623,7 @@ Reaction 1. Specific Conductance (µS/cm, 5°C) = 5569 Density (g/cm³) = 1.00640 Volume (L) = 0.99946 - Viscosity (mPa s) = 1.56918 + Viscosity (mPa s) = 1.56929 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.642e-01 Mass of water (kg) = 1.000e+00 @@ -1704,7 +1704,7 @@ Reaction 1. Specific Conductance (µS/cm, 5°C) = 5576 Density (g/cm³) = 1.00641 Volume (L) = 0.99946 - Viscosity (mPa s) = 1.56925 + Viscosity (mPa s) = 1.56936 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.645e-01 Mass of water (kg) = 1.000e+00 @@ -1782,10 +1782,10 @@ Reaction 1. pH = 11.838 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 10348 + Specific Conductance (µS/cm, 5°C) = 10347 Density (g/cm³) = 1.01325 Volume (L) = 0.99898 - Viscosity (mPa s) = 1.62617 + Viscosity (mPa s) = 1.62637 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.439e-01 Mass of water (kg) = 1.000e+00 @@ -1866,7 +1866,7 @@ Reaction 1. Specific Conductance (µS/cm, 5°C) = 10355 Density (g/cm³) = 1.01326 Volume (L) = 0.99898 - Viscosity (mPa s) = 1.62627 + Viscosity (mPa s) = 1.62647 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.442e-01 Mass of water (kg) = 1.000e+00 @@ -1944,10 +1944,10 @@ Reaction 1. pH = 11.931 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 17672 + Specific Conductance (µS/cm, 5°C) = 17670 Density (g/cm³) = 1.02546 Volume (L) = 0.99838 - Viscosity (mPa s) = 1.74170 + Viscosity (mPa s) = 1.74205 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.714e-01 Mass of water (kg) = 1.000e+00 @@ -2025,10 +2025,10 @@ Reaction 1. pH = 11.931 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 17716 + Specific Conductance (µS/cm, 5°C) = 17714 Density (g/cm³) = 1.02554 Volume (L) = 0.99838 - Viscosity (mPa s) = 1.74251 + Viscosity (mPa s) = 1.74286 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.735e-01 Mass of water (kg) = 1.000e+00 @@ -2106,10 +2106,10 @@ Reaction 1. pH = 11.973 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 22241 + Specific Conductance (µS/cm, 5°C) = 22238 Density (g/cm³) = 1.03413 Volume (L) = 0.99814 - Viscosity (mPa s) = 1.83477 + Viscosity (mPa s) = 1.83523 Activity of water = 0.988 Ionic strength (mol/kgw) = 9.087e-01 Mass of water (kg) = 1.000e+00 @@ -2187,10 +2187,10 @@ Reaction 1. pH = 11.973 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 22244 + Specific Conductance (µS/cm, 5°C) = 22241 Density (g/cm³) = 1.03413 Volume (L) = 0.99813 - Viscosity (mPa s) = 1.83485 + Viscosity (mPa s) = 1.83532 Activity of water = 0.988 Ionic strength (mol/kgw) = 9.089e-01 Mass of water (kg) = 1.000e+00 @@ -2268,10 +2268,10 @@ Reaction 1. pH = 12.019 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 27948 + Specific Conductance (µS/cm, 5°C) = 27943 Density (g/cm³) = 1.04626 Volume (L) = 0.99801 - Viscosity (mPa s) = 1.98100 + Viscosity (mPa s) = 1.98161 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.247e+00 Mass of water (kg) = 9.999e-01 @@ -2349,10 +2349,10 @@ Reaction 1. pH = 12.019 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 27979 + Specific Conductance (µS/cm, 5°C) = 27974 Density (g/cm³) = 1.04633 Volume (L) = 0.99801 - Viscosity (mPa s) = 1.98191 + Viscosity (mPa s) = 1.98252 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.249e+00 Mass of water (kg) = 9.999e-01 @@ -2430,10 +2430,10 @@ Reaction 1. pH = 12.065 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 34413 + Specific Conductance (µS/cm, 5°C) = 34406 Density (g/cm³) = 1.06220 Volume (L) = 0.99821 - Viscosity (mPa s) = 2.20312 + Viscosity (mPa s) = 2.20392 Activity of water = 0.979 Ionic strength (mol/kgw) = 1.704e+00 Mass of water (kg) = 9.999e-01 @@ -2511,10 +2511,10 @@ Reaction 1. pH = 12.066 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 34495 + Specific Conductance (µS/cm, 5°C) = 34488 Density (g/cm³) = 1.06242 Volume (L) = 0.99822 - Viscosity (mPa s) = 2.20646 + Viscosity (mPa s) = 2.20727 Activity of water = 0.979 Ionic strength (mol/kgw) = 1.710e+00 Mass of water (kg) = 9.999e-01 @@ -2592,10 +2592,10 @@ Reaction 1. pH = 12.095 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 38532 + Specific Conductance (µS/cm, 5°C) = 38524 Density (g/cm³) = 1.07400 Volume (L) = 0.99863 - Viscosity (mPa s) = 2.39085 + Viscosity (mPa s) = 2.39179 Activity of water = 0.975 Ionic strength (mol/kgw) = 2.049e+00 Mass of water (kg) = 9.999e-01 @@ -2673,10 +2673,10 @@ Reaction 1. pH = 12.095 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 38550 + Specific Conductance (µS/cm, 5°C) = 38541 Density (g/cm³) = 1.07405 Volume (L) = 0.99863 - Viscosity (mPa s) = 2.39175 + Viscosity (mPa s) = 2.39270 Activity of water = 0.975 Ionic strength (mol/kgw) = 2.051e+00 Mass of water (kg) = 9.999e-01 @@ -2754,10 +2754,10 @@ Reaction 1. pH = 12.129 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 43198 + Specific Conductance (µS/cm, 5°C) = 43187 Density (g/cm³) = 1.08953 Volume (L) = 0.99952 - Viscosity (mPa s) = 2.67111 + Viscosity (mPa s) = 2.67224 Activity of water = 0.970 Ionic strength (mol/kgw) = 2.516e+00 Mass of water (kg) = 9.999e-01 @@ -2835,10 +2835,10 @@ Reaction 1. pH = 12.130 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 43242 + Specific Conductance (µS/cm, 5°C) = 43232 Density (g/cm³) = 1.08969 Volume (L) = 0.99953 - Viscosity (mPa s) = 2.67428 + Viscosity (mPa s) = 2.67540 Activity of water = 0.970 Ionic strength (mol/kgw) = 2.521e+00 Mass of water (kg) = 9.999e-01 @@ -2916,10 +2916,10 @@ Reaction 1. pH = 12.152 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 46080 + Specific Conductance (µS/cm, 5°C) = 46069 Density (g/cm³) = 1.10073 Volume (L) = 1.00041 - Viscosity (mPa s) = 2.89852 + Viscosity (mPa s) = 2.89977 Activity of water = 0.967 Ionic strength (mol/kgw) = 2.860e+00 Mass of water (kg) = 9.999e-01 @@ -3099,10 +3099,10 @@ Reaction 1. pH = 11.494 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 8240 + Specific Conductance (µS/cm, 15°C) = 8239 Density (g/cm³) = 1.00611 Volume (L) = 1.00050 - Viscosity (mPa s) = 1.18070 + Viscosity (mPa s) = 1.18082 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.851e-01 Mass of water (kg) = 1.000e+00 @@ -3180,10 +3180,10 @@ Reaction 1. pH = 11.586 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 14200 + Specific Conductance (µS/cm, 15°C) = 14199 Density (g/cm³) = 1.01239 Volume (L) = 1.00027 - Viscosity (mPa s) = 1.22061 + Viscosity (mPa s) = 1.22082 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.559e-01 Mass of water (kg) = 1.000e+00 @@ -3261,10 +3261,10 @@ Reaction 1. pH = 11.686 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 24761 + Specific Conductance (µS/cm, 15°C) = 24757 Density (g/cm³) = 1.02535 Volume (L) = 1.00006 - Viscosity (mPa s) = 1.31272 + Viscosity (mPa s) = 1.31312 Activity of water = 0.990 Ionic strength (mol/kgw) = 7.159e-01 Mass of water (kg) = 9.999e-01 @@ -3342,10 +3342,10 @@ Reaction 1. pH = 11.728 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 30873 + Specific Conductance (µS/cm, 15°C) = 30866 Density (g/cm³) = 1.03390 Volume (L) = 1.00010 - Viscosity (mPa s) = 1.38120 + Viscosity (mPa s) = 1.38172 Activity of water = 0.987 Ionic strength (mol/kgw) = 9.587e-01 Mass of water (kg) = 9.999e-01 @@ -3423,10 +3423,10 @@ Reaction 1. pH = 11.775 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 38749 + Specific Conductance (µS/cm, 15°C) = 38739 Density (g/cm³) = 1.04624 Volume (L) = 1.00038 - Viscosity (mPa s) = 1.49124 + Viscosity (mPa s) = 1.49193 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.316e+00 Mass of water (kg) = 9.999e-01 @@ -3504,10 +3504,10 @@ Reaction 1. pH = 11.825 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 47708 + Specific Conductance (µS/cm, 15°C) = 47693 Density (g/cm³) = 1.06253 Volume (L) = 1.00112 - Viscosity (mPa s) = 1.65829 + Viscosity (mPa s) = 1.65919 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.799e+00 Mass of water (kg) = 9.999e-01 @@ -3585,10 +3585,10 @@ Reaction 1. pH = 11.856 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 53309 + Specific Conductance (µS/cm, 15°C) = 53292 Density (g/cm³) = 1.07436 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.79623 + Viscosity (mPa s) = 1.79728 Activity of water = 0.974 Ionic strength (mol/kgw) = 2.159e+00 Mass of water (kg) = 9.999e-01 @@ -3666,10 +3666,10 @@ Reaction 1. pH = 11.893 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 59687 + Specific Conductance (µS/cm, 15°C) = 59667 Density (g/cm³) = 1.08999 Volume (L) = 1.00333 - Viscosity (mPa s) = 2.00217 + Viscosity (mPa s) = 2.00342 Activity of water = 0.968 Ionic strength (mol/kgw) = 2.645e+00 Mass of water (kg) = 9.999e-01 @@ -3849,10 +3849,10 @@ Reaction 1. pH = 11.541 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 24032 + Specific Conductance (µS/cm, 20°C) = 24029 Density (g/cm³) = 1.01953 Volume (L) = 1.00125 - Viscosity (mPa s) = 1.12278 + Viscosity (mPa s) = 1.12312 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.853e-01 Mass of water (kg) = 9.999e-01 @@ -3930,10 +3930,10 @@ Reaction 1. pH = 11.541 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 24032 + Specific Conductance (µS/cm, 20°C) = 24029 Density (g/cm³) = 1.01953 Volume (L) = 1.00125 - Viscosity (mPa s) = 1.12278 + Viscosity (mPa s) = 1.12312 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.853e-01 Mass of water (kg) = 9.999e-01 @@ -4011,10 +4011,10 @@ Reaction 1. pH = 11.646 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 41005 + Specific Conductance (µS/cm, 20°C) = 40993 Density (g/cm³) = 1.04046 Volume (L) = 1.00163 - Viscosity (mPa s) = 1.27000 + Viscosity (mPa s) = 1.27065 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.189e+00 Mass of water (kg) = 9.999e-01 @@ -4092,10 +4092,10 @@ Reaction 1. pH = 11.711 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 54001 + Specific Conductance (µS/cm, 20°C) = 53982 Density (g/cm³) = 1.06038 Volume (L) = 1.00267 - Viscosity (mPa s) = 1.44097 + Viscosity (mPa s) = 1.44189 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.784e+00 Mass of water (kg) = 9.999e-01 @@ -4173,10 +4173,10 @@ Reaction 1. pH = 11.761 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 63963 + Specific Conductance (µS/cm, 20°C) = 63937 Density (g/cm³) = 1.07906 Volume (L) = 1.00420 - Viscosity (mPa s) = 1.63198 + Viscosity (mPa s) = 1.63316 Activity of water = 0.971 Ionic strength (mol/kgw) = 2.361e+00 Mass of water (kg) = 9.999e-01 @@ -4254,10 +4254,10 @@ Reaction 1. pH = 11.761 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 63963 + Specific Conductance (µS/cm, 20°C) = 63937 Density (g/cm³) = 1.07906 Volume (L) = 1.00420 - Viscosity (mPa s) = 1.63198 + Viscosity (mPa s) = 1.63316 Activity of water = 0.971 Ionic strength (mol/kgw) = 2.361e+00 Mass of water (kg) = 9.999e-01 @@ -4335,10 +4335,10 @@ Reaction 1. pH = 11.805 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 71992 + Specific Conductance (µS/cm, 20°C) = 71962 Density (g/cm³) = 1.09749 Volume (L) = 1.00624 - Viscosity (mPa s) = 1.85329 + Viscosity (mPa s) = 1.85472 Activity of water = 0.965 Ionic strength (mol/kgw) = 2.947e+00 Mass of water (kg) = 9.999e-01 @@ -4416,10 +4416,10 @@ Reaction 1. pH = 11.815 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 73681 + Specific Conductance (µS/cm, 20°C) = 73649 Density (g/cm³) = 1.10192 Volume (L) = 1.00680 - Viscosity (mPa s) = 1.91173 + Viscosity (mPa s) = 1.91322 Activity of water = 0.963 Ionic strength (mol/kgw) = 3.091e+00 Mass of water (kg) = 9.999e-01 @@ -4497,10 +4497,10 @@ Reaction 1. pH = 11.876 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 82568 + Specific Conductance (µS/cm, 20°C) = 82532 Density (g/cm³) = 1.13028 Volume (L) = 1.01117 - Viscosity (mPa s) = 2.34116 + Viscosity (mPa s) = 2.34301 Activity of water = 0.953 Ionic strength (mol/kgw) = 4.039e+00 Mass of water (kg) = 9.999e-01 @@ -4578,10 +4578,10 @@ Reaction 1. pH = 11.958 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 90493 + Specific Conductance (µS/cm, 20°C) = 90456 Density (g/cm³) = 1.17127 Volume (L) = 1.01992 - Viscosity (mPa s) = 3.16307 + Viscosity (mPa s) = 3.16544 Activity of water = 0.937 Ionic strength (mol/kgw) = 5.502e+00 Mass of water (kg) = 9.999e-01 @@ -4659,10 +4659,10 @@ Reaction 1. pH = 11.958 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 90493 + Specific Conductance (µS/cm, 20°C) = 90456 Density (g/cm³) = 1.17127 Volume (L) = 1.01992 - Viscosity (mPa s) = 3.16307 + Viscosity (mPa s) = 3.16544 Activity of water = 0.937 Ionic strength (mol/kgw) = 5.502e+00 Mass of water (kg) = 9.999e-01 @@ -4740,10 +4740,10 @@ Reaction 1. pH = 11.981 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 91913 + Specific Conductance (µS/cm, 20°C) = 91877 Density (g/cm³) = 1.18322 Volume (L) = 1.02306 - Viscosity (mPa s) = 3.45755 + Viscosity (mPa s) = 3.46006 Activity of water = 0.931 Ionic strength (mol/kgw) = 5.952e+00 Mass of water (kg) = 9.999e-01 @@ -5007,7 +5007,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 1409 Density (g/cm³) = 0.99776 Volume (L) = 1.00293 - Viscosity (mPa s) = 0.89434 + Viscosity (mPa s) = 0.89435 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.844e-02 Mass of water (kg) = 1.000e+00 @@ -5088,7 +5088,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 1821 Density (g/cm³) = 0.99799 Volume (L) = 1.00292 - Viscosity (mPa s) = 0.89549 + Viscosity (mPa s) = 0.89551 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.461e-02 Mass of water (kg) = 1.000e+00 @@ -5169,7 +5169,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 2275 Density (g/cm³) = 0.99826 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89677 + Viscosity (mPa s) = 0.89679 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.163e-02 Mass of water (kg) = 1.000e+00 @@ -5250,7 +5250,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 2382 Density (g/cm³) = 0.99832 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89707 + Viscosity (mPa s) = 0.89710 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.331e-02 Mass of water (kg) = 1.000e+00 @@ -5331,7 +5331,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 3646 Density (g/cm³) = 0.99909 Volume (L) = 1.00287 - Viscosity (mPa s) = 0.90070 + Viscosity (mPa s) = 0.90074 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.399e-02 Mass of water (kg) = 1.000e+00 @@ -5409,10 +5409,10 @@ Reaction 1. pH = 11.095 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3867 + Specific Conductance (µS/cm, 25°C) = 3866 Density (g/cm³) = 0.99923 Volume (L) = 1.00287 - Viscosity (mPa s) = 0.90135 + Viscosity (mPa s) = 0.90139 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.773e-02 Mass of water (kg) = 1.000e+00 @@ -5490,10 +5490,10 @@ Reaction 1. pH = 11.114 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 4303 + Specific Conductance (µS/cm, 25°C) = 4302 Density (g/cm³) = 0.99951 Volume (L) = 1.00286 - Viscosity (mPa s) = 0.90264 + Viscosity (mPa s) = 0.90268 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.523e-02 Mass of water (kg) = 1.000e+00 @@ -5574,7 +5574,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 4566 Density (g/cm³) = 0.99968 Volume (L) = 1.00285 - Viscosity (mPa s) = 0.90343 + Viscosity (mPa s) = 0.90347 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.983e-02 Mass of water (kg) = 1.000e+00 @@ -5655,7 +5655,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 5229 Density (g/cm³) = 1.00011 Volume (L) = 1.00283 - Viscosity (mPa s) = 0.90544 + Viscosity (mPa s) = 0.90549 Activity of water = 0.999 Ionic strength (mol/kgw) = 8.163e-02 Mass of water (kg) = 1.000e+00 @@ -5736,7 +5736,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 7126 Density (g/cm³) = 1.00141 Volume (L) = 1.00279 - Viscosity (mPa s) = 0.91141 + Viscosity (mPa s) = 0.91149 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.169e-01 Mass of water (kg) = 1.000e+00 @@ -5814,10 +5814,10 @@ Reaction 1. pH = 11.201 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7137 + Specific Conductance (µS/cm, 25°C) = 7136 Density (g/cm³) = 1.00142 Volume (L) = 1.00279 - Viscosity (mPa s) = 0.91145 + Viscosity (mPa s) = 0.91153 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.171e-01 Mass of water (kg) = 1.000e+00 @@ -5895,10 +5895,10 @@ Reaction 1. pH = 11.214 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7693 + Specific Conductance (µS/cm, 25°C) = 7692 Density (g/cm³) = 1.00181 Volume (L) = 1.00278 - Viscosity (mPa s) = 0.91326 + Viscosity (mPa s) = 0.91335 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.278e-01 Mass of water (kg) = 1.000e+00 @@ -5979,7 +5979,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 8525 Density (g/cm³) = 1.00241 Volume (L) = 1.00276 - Viscosity (mPa s) = 0.91604 + Viscosity (mPa s) = 0.91614 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.441e-01 Mass of water (kg) = 1.000e+00 @@ -6060,7 +6060,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 8696 Density (g/cm³) = 1.00253 Volume (L) = 1.00276 - Viscosity (mPa s) = 0.91662 + Viscosity (mPa s) = 0.91671 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.475e-01 Mass of water (kg) = 1.000e+00 @@ -6138,10 +6138,10 @@ Reaction 1. pH = 11.252 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9628 + Specific Conductance (µS/cm, 25°C) = 9627 Density (g/cm³) = 1.00322 Volume (L) = 1.00274 - Viscosity (mPa s) = 0.91982 + Viscosity (mPa s) = 0.91993 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.663e-01 Mass of water (kg) = 1.000e+00 @@ -6219,10 +6219,10 @@ Reaction 1. pH = 11.273 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10904 + Specific Conductance (µS/cm, 25°C) = 10903 Density (g/cm³) = 1.00418 Volume (L) = 1.00271 - Viscosity (mPa s) = 0.92433 + Viscosity (mPa s) = 0.92446 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.928e-01 Mass of water (kg) = 1.000e+00 @@ -6303,7 +6303,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 10919 Density (g/cm³) = 1.00419 Volume (L) = 1.00271 - Viscosity (mPa s) = 0.92439 + Viscosity (mPa s) = 0.92452 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.931e-01 Mass of water (kg) = 1.000e+00 @@ -6381,10 +6381,10 @@ Reaction 1. pH = 11.292 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 12195 + Specific Conductance (µS/cm, 25°C) = 12194 Density (g/cm³) = 1.00517 Volume (L) = 1.00269 - Viscosity (mPa s) = 0.92906 + Viscosity (mPa s) = 0.92921 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.203e-01 Mass of water (kg) = 1.000e+00 @@ -6462,10 +6462,10 @@ Reaction 1. pH = 11.323 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 14547 + Specific Conductance (µS/cm, 25°C) = 14546 Density (g/cm³) = 1.00705 Volume (L) = 1.00266 - Viscosity (mPa s) = 0.93810 + Viscosity (mPa s) = 0.93827 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.723e-01 Mass of water (kg) = 9.999e-01 @@ -6543,10 +6543,10 @@ Reaction 1. pH = 11.331 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 15243 + Specific Conductance (µS/cm, 25°C) = 15241 Density (g/cm³) = 1.00762 Volume (L) = 1.00265 - Viscosity (mPa s) = 0.94087 + Viscosity (mPa s) = 0.94106 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.881e-01 Mass of water (kg) = 9.999e-01 @@ -6624,10 +6624,10 @@ Reaction 1. pH = 11.335 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 15607 + Specific Conductance (µS/cm, 25°C) = 15606 Density (g/cm³) = 1.00792 Volume (L) = 1.00265 - Viscosity (mPa s) = 0.94235 + Viscosity (mPa s) = 0.94253 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.965e-01 Mass of water (kg) = 9.999e-01 @@ -6705,10 +6705,10 @@ Reaction 1. pH = 11.370 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 19073 + Specific Conductance (µS/cm, 25°C) = 19070 Density (g/cm³) = 1.01086 Volume (L) = 1.00262 - Viscosity (mPa s) = 0.95703 + Viscosity (mPa s) = 0.95726 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.787e-01 Mass of water (kg) = 9.999e-01 @@ -6786,10 +6786,10 @@ Reaction 1. pH = 11.398 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 22354 + Specific Conductance (µS/cm, 25°C) = 22351 Density (g/cm³) = 1.01377 Volume (L) = 1.00261 - Viscosity (mPa s) = 0.97208 + Viscosity (mPa s) = 0.97236 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.610e-01 Mass of water (kg) = 9.999e-01 @@ -6867,10 +6867,10 @@ Reaction 1. pH = 11.420 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 25150 + Specific Conductance (µS/cm, 25°C) = 25145 Density (g/cm³) = 1.01636 Volume (L) = 1.00261 - Viscosity (mPa s) = 0.98582 + Viscosity (mPa s) = 0.98614 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.344e-01 Mass of water (kg) = 9.999e-01 @@ -6948,10 +6948,10 @@ Reaction 1. pH = 11.433 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27125 + Specific Conductance (µS/cm, 25°C) = 27119 Density (g/cm³) = 1.01824 Volume (L) = 1.00263 - Viscosity (mPa s) = 0.99607 + Viscosity (mPa s) = 0.99643 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.880e-01 Mass of water (kg) = 9.999e-01 @@ -7029,10 +7029,10 @@ Reaction 1. pH = 11.435 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27389 + Specific Conductance (µS/cm, 25°C) = 27384 Density (g/cm³) = 1.01850 Volume (L) = 1.00263 - Viscosity (mPa s) = 0.99748 + Viscosity (mPa s) = 0.99784 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.954e-01 Mass of water (kg) = 9.999e-01 @@ -7110,10 +7110,10 @@ Reaction 1. pH = 11.463 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 31708 + Specific Conductance (µS/cm, 25°C) = 31700 Density (g/cm³) = 1.02279 Volume (L) = 1.00269 - Viscosity (mPa s) = 1.02169 + Viscosity (mPa s) = 1.02211 Activity of water = 0.990 Ionic strength (mol/kgw) = 7.185e-01 Mass of water (kg) = 9.999e-01 @@ -7191,10 +7191,10 @@ Reaction 1. pH = 11.463 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 31749 + Specific Conductance (µS/cm, 25°C) = 31742 Density (g/cm³) = 1.02283 Volume (L) = 1.00269 - Viscosity (mPa s) = 1.02194 + Viscosity (mPa s) = 1.02236 Activity of water = 0.990 Ionic strength (mol/kgw) = 7.198e-01 Mass of water (kg) = 9.999e-01 @@ -7272,10 +7272,10 @@ Reaction 1. pH = 11.467 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 32435 + Specific Conductance (µS/cm, 25°C) = 32427 Density (g/cm³) = 1.02354 Volume (L) = 1.00270 - Viscosity (mPa s) = 1.02601 + Viscosity (mPa s) = 1.02644 Activity of water = 0.990 Ionic strength (mol/kgw) = 7.400e-01 Mass of water (kg) = 9.999e-01 @@ -7353,10 +7353,10 @@ Reaction 1. pH = 11.493 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 37058 + Specific Conductance (µS/cm, 25°C) = 37048 Density (g/cm³) = 1.02843 Volume (L) = 1.00281 - Viscosity (mPa s) = 1.05514 + Viscosity (mPa s) = 1.05565 Activity of water = 0.988 Ionic strength (mol/kgw) = 8.818e-01 Mass of water (kg) = 9.999e-01 @@ -7434,10 +7434,10 @@ Reaction 1. pH = 11.494 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 37104 + Specific Conductance (µS/cm, 25°C) = 37095 Density (g/cm³) = 1.02848 Volume (L) = 1.00281 - Viscosity (mPa s) = 1.05545 + Viscosity (mPa s) = 1.05596 Activity of water = 0.988 Ionic strength (mol/kgw) = 8.833e-01 Mass of water (kg) = 9.999e-01 @@ -7515,10 +7515,10 @@ Reaction 1. pH = 11.529 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 44092 + Specific Conductance (µS/cm, 25°C) = 44078 Density (g/cm³) = 1.03640 Volume (L) = 1.00308 - Viscosity (mPa s) = 1.10585 + Viscosity (mPa s) = 1.10648 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.116e+00 Mass of water (kg) = 9.999e-01 @@ -7596,10 +7596,10 @@ Reaction 1. pH = 11.552 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48901 + Specific Conductance (µS/cm, 25°C) = 48884 Density (g/cm³) = 1.04227 Volume (L) = 1.00335 - Viscosity (mPa s) = 1.14572 + Viscosity (mPa s) = 1.14644 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.290e+00 Mass of water (kg) = 9.999e-01 @@ -7677,10 +7677,10 @@ Reaction 1. pH = 11.553 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48959 + Specific Conductance (µS/cm, 25°C) = 48942 Density (g/cm³) = 1.04234 Volume (L) = 1.00335 - Viscosity (mPa s) = 1.14622 + Viscosity (mPa s) = 1.14694 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.292e+00 Mass of water (kg) = 9.999e-01 @@ -7758,10 +7758,10 @@ Reaction 1. pH = 11.572 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 53158 + Specific Conductance (µS/cm, 25°C) = 53138 Density (g/cm³) = 1.04778 Volume (L) = 1.00365 - Viscosity (mPa s) = 1.18519 + Viscosity (mPa s) = 1.18599 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.455e+00 Mass of water (kg) = 9.999e-01 @@ -7839,10 +7839,10 @@ Reaction 1. pH = 11.573 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 53402 + Specific Conductance (µS/cm, 25°C) = 53382 Density (g/cm³) = 1.04810 Volume (L) = 1.00367 - Viscosity (mPa s) = 1.18758 + Viscosity (mPa s) = 1.18839 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.465e+00 Mass of water (kg) = 9.999e-01 @@ -7920,10 +7920,10 @@ Reaction 1. pH = 11.576 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 54105 + Specific Conductance (µS/cm, 25°C) = 54084 Density (g/cm³) = 1.04905 Volume (L) = 1.00372 - Viscosity (mPa s) = 1.19457 + Viscosity (mPa s) = 1.19539 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.493e+00 Mass of water (kg) = 9.999e-01 @@ -8001,10 +8001,10 @@ Reaction 1. pH = 11.602 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 59901 + Specific Conductance (µS/cm, 25°C) = 59876 Density (g/cm³) = 1.05719 Volume (L) = 1.00427 - Viscosity (mPa s) = 1.25745 + Viscosity (mPa s) = 1.25839 Activity of water = 0.978 Ionic strength (mol/kgw) = 1.741e+00 Mass of water (kg) = 9.999e-01 @@ -8082,10 +8082,10 @@ Reaction 1. pH = 11.602 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 59966 + Specific Conductance (µS/cm, 25°C) = 59941 Density (g/cm³) = 1.05728 Volume (L) = 1.00427 - Viscosity (mPa s) = 1.25821 + Viscosity (mPa s) = 1.25916 Activity of water = 0.978 Ionic strength (mol/kgw) = 1.743e+00 Mass of water (kg) = 9.999e-01 @@ -8163,10 +8163,10 @@ Reaction 1. pH = 11.617 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 63348 + Specific Conductance (µS/cm, 25°C) = 63320 Density (g/cm³) = 1.06237 Volume (L) = 1.00467 - Viscosity (mPa s) = 1.29996 + Viscosity (mPa s) = 1.30098 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.900e+00 Mass of water (kg) = 9.999e-01 @@ -8244,10 +8244,10 @@ Reaction 1. pH = 11.638 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 67899 + Specific Conductance (µS/cm, 25°C) = 67868 Density (g/cm³) = 1.06968 Volume (L) = 1.00529 - Viscosity (mPa s) = 1.36324 + Viscosity (mPa s) = 1.36436 Activity of water = 0.973 Ionic strength (mol/kgw) = 2.126e+00 Mass of water (kg) = 9.999e-01 @@ -8325,10 +8325,10 @@ Reaction 1. pH = 11.648 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 70094 + Specific Conductance (µS/cm, 25°C) = 70062 Density (g/cm³) = 1.07341 Volume (L) = 1.00565 - Viscosity (mPa s) = 1.39717 + Viscosity (mPa s) = 1.39834 Activity of water = 0.972 Ionic strength (mol/kgw) = 2.243e+00 Mass of water (kg) = 9.999e-01 @@ -8406,10 +8406,10 @@ Reaction 1. pH = 11.658 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 72195 + Specific Conductance (µS/cm, 25°C) = 72161 Density (g/cm³) = 1.07713 Volume (L) = 1.00602 - Viscosity (mPa s) = 1.43204 + Viscosity (mPa s) = 1.43327 Activity of water = 0.971 Ionic strength (mol/kgw) = 2.360e+00 Mass of water (kg) = 9.999e-01 @@ -8487,10 +8487,10 @@ Reaction 1. pH = 11.678 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 76499 + Specific Conductance (µS/cm, 25°C) = 76461 Density (g/cm³) = 1.08524 Volume (L) = 1.00690 - Viscosity (mPa s) = 1.51212 + Viscosity (mPa s) = 1.51346 Activity of water = 0.968 Ionic strength (mol/kgw) = 2.618e+00 Mass of water (kg) = 9.999e-01 @@ -8568,10 +8568,10 @@ Reaction 1. pH = 11.702 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 81334 + Specific Conductance (µS/cm, 25°C) = 81293 Density (g/cm³) = 1.09533 Volume (L) = 1.00813 - Viscosity (mPa s) = 1.61948 + Viscosity (mPa s) = 1.62096 Activity of water = 0.964 Ionic strength (mol/kgw) = 2.944e+00 Mass of water (kg) = 9.999e-01 @@ -8649,10 +8649,10 @@ Reaction 1. pH = 11.703 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 81359 + Specific Conductance (µS/cm, 25°C) = 81318 Density (g/cm³) = 1.09538 Volume (L) = 1.00813 - Viscosity (mPa s) = 1.62007 + Viscosity (mPa s) = 1.62156 Activity of water = 0.964 Ionic strength (mol/kgw) = 2.945e+00 Mass of water (kg) = 9.999e-01 @@ -8730,10 +8730,10 @@ Reaction 1. pH = 11.703 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 81435 + Specific Conductance (µS/cm, 25°C) = 81394 Density (g/cm³) = 1.09555 Volume (L) = 1.00816 - Viscosity (mPa s) = 1.62195 + Viscosity (mPa s) = 1.62344 Activity of water = 0.964 Ionic strength (mol/kgw) = 2.951e+00 Mass of water (kg) = 9.999e-01 @@ -8811,10 +8811,10 @@ Reaction 1. pH = 11.706 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 82022 + Specific Conductance (µS/cm, 25°C) = 81981 Density (g/cm³) = 1.09686 Volume (L) = 1.00833 - Viscosity (mPa s) = 1.63659 + Viscosity (mPa s) = 1.63810 Activity of water = 0.964 Ionic strength (mol/kgw) = 2.993e+00 Mass of water (kg) = 9.999e-01 @@ -8892,10 +8892,10 @@ Reaction 1. pH = 11.747 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 89265 + Specific Conductance (µS/cm, 25°C) = 89219 Density (g/cm³) = 1.11493 Volume (L) = 1.01095 - Viscosity (mPa s) = 1.85549 + Viscosity (mPa s) = 1.85725 Activity of water = 0.957 Ionic strength (mol/kgw) = 3.592e+00 Mass of water (kg) = 9.999e-01 @@ -8973,10 +8973,10 @@ Reaction 1. pH = 11.804 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 97203 + Specific Conductance (µS/cm, 25°C) = 97153 Density (g/cm³) = 1.14109 Volume (L) = 1.01565 - Viscosity (mPa s) = 2.23385 + Viscosity (mPa s) = 2.23595 Activity of water = 0.947 Ionic strength (mol/kgw) = 4.492e+00 Mass of water (kg) = 9.999e-01 @@ -9054,10 +9054,10 @@ Reaction 1. pH = 11.847 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 101703 + Specific Conductance (µS/cm, 25°C) = 101652 Density (g/cm³) = 1.16194 Volume (L) = 1.02019 - Viscosity (mPa s) = 2.59630 + Viscosity (mPa s) = 2.59868 Activity of water = 0.938 Ionic strength (mol/kgw) = 5.241e+00 Mass of water (kg) = 9.999e-01 @@ -9135,10 +9135,10 @@ Reaction 1. pH = 11.887 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 104750 + Specific Conductance (µS/cm, 25°C) = 104699 Density (g/cm³) = 1.18206 Volume (L) = 1.02530 - Viscosity (mPa s) = 3.00637 + Viscosity (mPa s) = 3.00903 Activity of water = 0.929 Ionic strength (mol/kgw) = 5.993e+00 Mass of water (kg) = 9.999e-01 @@ -9216,10 +9216,10 @@ Reaction 1. pH = 11.961 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 107624 + Specific Conductance (µS/cm, 25°C) = 107578 Density (g/cm³) = 1.21970 Volume (L) = 1.03700 - Viscosity (mPa s) = 3.96830 + Viscosity (mPa s) = 3.97147 Activity of water = 0.909 Ionic strength (mol/kgw) = 7.489e+00 Mass of water (kg) = 9.999e-01 @@ -9399,10 +9399,10 @@ Reaction 1. pH = 11.562 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 80964 + Specific Conductance (µS/cm, 30°C) = 80919 Density (g/cm³) = 1.07542 Volume (L) = 1.00796 - Viscosity (mPa s) = 1.27100 + Viscosity (mPa s) = 1.27229 Activity of water = 0.970 Ionic strength (mol/kgw) = 2.370e+00 Mass of water (kg) = 9.999e-01 @@ -9480,10 +9480,10 @@ Reaction 1. pH = 11.684 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 105300 + Specific Conductance (µS/cm, 30°C) = 105235 Density (g/cm³) = 1.12633 Volume (L) = 1.01527 - Viscosity (mPa s) = 1.79400 + Viscosity (mPa s) = 1.79603 Activity of water = 0.951 Ionic strength (mol/kgw) = 4.055e+00 Mass of water (kg) = 9.998e-01 @@ -9561,10 +9561,10 @@ Reaction 1. pH = 11.773 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 116078 + Specific Conductance (µS/cm, 30°C) = 116009 Density (g/cm³) = 1.16749 Volume (L) = 1.02399 - Viscosity (mPa s) = 2.39769 + Viscosity (mPa s) = 2.40030 Activity of water = 0.933 Ionic strength (mol/kgw) = 5.525e+00 Mass of water (kg) = 9.998e-01 @@ -9642,10 +9642,10 @@ Reaction 1. pH = 11.797 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 118076 + Specific Conductance (µS/cm, 30°C) = 118007 Density (g/cm³) = 1.17949 Volume (L) = 1.02704 - Viscosity (mPa s) = 2.61223 + Viscosity (mPa s) = 2.61502 Activity of water = 0.927 Ionic strength (mol/kgw) = 5.975e+00 Mass of water (kg) = 9.998e-01 @@ -9825,10 +9825,10 @@ Reaction 1. pH = 11.014 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 9559 + Specific Conductance (µS/cm, 35°C) = 9558 Density (g/cm³) = 0.99875 Volume (L) = 1.00589 - Viscosity (mPa s) = 0.73766 + Viscosity (mPa s) = 0.73775 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.282e-01 Mass of water (kg) = 9.999e-01 @@ -9906,10 +9906,10 @@ Reaction 1. pH = 11.196 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 26928 + Specific Conductance (µS/cm, 35°C) = 26922 Density (g/cm³) = 1.01002 Volume (L) = 1.00589 - Viscosity (mPa s) = 0.78137 + Viscosity (mPa s) = 0.78166 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.470e-01 Mass of water (kg) = 9.999e-01 @@ -9987,10 +9987,10 @@ Reaction 1. pH = 11.280 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 41912 + Specific Conductance (µS/cm, 35°C) = 41899 Density (g/cm³) = 1.02166 Volume (L) = 1.00616 - Viscosity (mPa s) = 0.83198 + Viscosity (mPa s) = 0.83248 Activity of water = 0.989 Ionic strength (mol/kgw) = 7.853e-01 Mass of water (kg) = 9.999e-01 @@ -10068,10 +10068,10 @@ Reaction 1. pH = 11.317 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 50125 + Specific Conductance (µS/cm, 35°C) = 50106 Density (g/cm³) = 1.02878 Volume (L) = 1.00645 - Viscosity (mPa s) = 0.86592 + Viscosity (mPa s) = 0.86654 Activity of water = 0.986 Ionic strength (mol/kgw) = 9.960e-01 Mass of water (kg) = 9.999e-01 @@ -10149,10 +10149,10 @@ Reaction 1. pH = 11.415 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 74990 + Specific Conductance (µS/cm, 35°C) = 74947 Density (g/cm³) = 1.05422 Volume (L) = 1.00812 - Viscosity (mPa s) = 1.00704 + Viscosity (mPa s) = 1.00807 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.769e+00 Mass of water (kg) = 9.999e-01 @@ -10230,10 +10230,10 @@ Reaction 1. pH = 11.463 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 87683 + Specific Conductance (µS/cm, 35°C) = 87627 Density (g/cm³) = 1.07026 Volume (L) = 1.00965 - Viscosity (mPa s) = 1.11340 + Viscosity (mPa s) = 1.11470 Activity of water = 0.971 Ionic strength (mol/kgw) = 2.273e+00 Mass of water (kg) = 9.998e-01 @@ -10311,10 +10311,10 @@ Reaction 1. pH = 11.496 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 95928 + Specific Conductance (µS/cm, 35°C) = 95863 Density (g/cm³) = 1.08231 Volume (L) = 1.01102 - Viscosity (mPa s) = 1.20315 + Viscosity (mPa s) = 1.20463 Activity of water = 0.967 Ionic strength (mol/kgw) = 2.659e+00 Mass of water (kg) = 9.998e-01 @@ -10392,10 +10392,10 @@ Reaction 1. pH = 11.517 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 101038 + Specific Conductance (µS/cm, 35°C) = 100968 Density (g/cm³) = 1.09063 Volume (L) = 1.01209 - Viscosity (mPa s) = 1.27049 + Viscosity (mPa s) = 1.27210 Activity of water = 0.964 Ionic strength (mol/kgw) = 2.930e+00 Mass of water (kg) = 9.998e-01 @@ -10473,10 +10473,10 @@ Reaction 1. pH = 11.524 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 102521 + Specific Conductance (µS/cm, 35°C) = 102449 Density (g/cm³) = 1.09320 Volume (L) = 1.01243 - Viscosity (mPa s) = 1.29215 + Viscosity (mPa s) = 1.29381 Activity of water = 0.963 Ionic strength (mol/kgw) = 3.014e+00 Mass of water (kg) = 9.998e-01 @@ -10656,10 +10656,10 @@ Reaction 1. pH = 10.961 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 23143 + Specific Conductance (µS/cm, 45°C) = 23138 Density (g/cm³) = 1.00077 Volume (L) = 1.00983 - Viscosity (mPa s) = 0.62913 + Viscosity (mPa s) = 0.62935 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.951e-01 Mass of water (kg) = 9.999e-01 @@ -10737,10 +10737,10 @@ Reaction 1. pH = 11.065 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 40515 + Specific Conductance (µS/cm, 45°C) = 40501 Density (g/cm³) = 1.01102 Volume (L) = 1.01004 - Viscosity (mPa s) = 0.66319 + Viscosity (mPa s) = 0.66361 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.925e-01 Mass of water (kg) = 9.999e-01 @@ -10818,10 +10818,10 @@ Reaction 1. pH = 11.216 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 80423 + Specific Conductance (µS/cm, 45°C) = 80368 Density (g/cm³) = 1.04078 Volume (L) = 1.01168 - Viscosity (mPa s) = 0.78247 + Viscosity (mPa s) = 0.78344 Activity of water = 0.980 Ionic strength (mol/kgw) = 1.489e+00 Mass of water (kg) = 9.998e-01 @@ -10899,10 +10899,10 @@ Reaction 1. pH = 11.360 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 123155 + Specific Conductance (µS/cm, 45°C) = 123039 Density (g/cm³) = 1.08730 Volume (L) = 1.01660 - Viscosity (mPa s) = 1.03966 + Viscosity (mPa s) = 1.04146 Activity of water = 0.962 Ionic strength (mol/kgw) = 2.970e+00 Mass of water (kg) = 9.998e-01 @@ -11082,10 +11082,10 @@ Reaction 1. pH = 10.427 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 82298 + Specific Conductance (µS/cm, 100°C) = 82210 Density (g/cm³) = 0.97872 Volume (L) = 1.04338 - Viscosity (mPa s) = 0.30832 + Viscosity (mPa s) = 0.30892 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.758e-01 Mass of water (kg) = 9.996e-01 @@ -11163,10 +11163,10 @@ Reaction 1. pH = 10.603 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 164473 + Specific Conductance (µS/cm, 100°C) = 164110 Density (g/cm³) = 1.00806 Volume (L) = 1.04452 - Viscosity (mPa s) = 0.35608 + Viscosity (mPa s) = 0.35752 Activity of water = 0.979 Ionic strength (mol/kgw) = 1.464e+00 Mass of water (kg) = 9.994e-01 @@ -11244,10 +11244,10 @@ Reaction 1. pH = 10.789 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 257371 + Specific Conductance (µS/cm, 100°C) = 256521 Density (g/cm³) = 1.05475 Volume (L) = 1.04798 - Viscosity (mPa s) = 0.45567 + Viscosity (mPa s) = 0.45845 Activity of water = 0.958 Ionic strength (mol/kgw) = 2.938e+00 Mass of water (kg) = 9.992e-01 diff --git a/mytest/Vm_Na2CO3_sol_101.sel b/mytest/Vm_Na2CO3_sol_101.sel index 5299369e2..3f6519209 100644 --- a/mytest/Vm_Na2CO3_sol_101.sel +++ b/mytest/Vm_Na2CO3_sol_101.sel @@ -1,138 +1,138 @@ Mu SC 0.000000100644 0.0547821166 0.000000035661 0.0123528660 - 0.028645919737 1046.3916232272 - 0.057368359772 1949.8286363625 - 0.065812586626 2202.1683747992 - 0.131659573707 4037.3499767582 - 0.142812424569 4330.3559724776 - 0.200574205297 5787.4081674949 - 0.200813576338 5793.2600794899 - 0.270338201433 7438.9828252569 - 0.381215674353 9880.8858395899 - 0.392596451239 10120.9186338858 - 0.394213752303 10154.8837925161 - 0.541266957406 13105.9468006985 - 0.741048193875 16748.0414521961 - 1.128452799217 22873.2638215959 - 1.474218142094 27500.0938994492 - 1.883253653399 32136.3559797448 + 0.028645919737 1046.3809796985 + 0.057368359772 1949.7970138648 + 0.065812586626 2202.1291018212 + 0.131659573707 4037.2319326369 + 0.142812424569 4330.2215939192 + 0.200574205297 5787.1771726988 + 0.200813576338 5793.0286449533 + 0.270338201433 7438.6113103436 + 0.381215674353 9880.2464780598 + 0.392596451239 10120.2491083545 + 0.394213752303 10154.2099437179 + 0.541266957406 13104.8459796669 + 0.741048193875 16746.2790689167 + 1.128452799217 22870.0912287337 + 1.474218142094 27495.6605200250 + 1.883253653399 32130.5579432343 0.000000043183 0.0164343314 - 0.164218823047 5569.4073987676 - 0.164458014821 5576.3298860616 - 0.343898892478 10348.5441932764 - 0.344198268181 10355.9396537818 - 0.671365083599 17672.3593262989 - 0.673522394022 17716.3338329127 - 0.908707183062 22241.1651374085 - 0.908916984349 22244.9794076132 - 1.247315798346 27948.1852377302 - 1.249324438995 27979.5399099184 - 1.703631718547 34413.1998180794 - 1.710078794522 34495.7368103446 - 2.049424902565 38532.6312428053 - 2.051014358676 38550.1868194174 - 2.515761949864 43198.0286651000 - 2.520740785479 43242.9006297177 - 2.860151808730 46080.6580121499 + 0.164218823047 5569.1968461737 + 0.164458014821 5576.1188309492 + 0.343898892478 10347.8434343772 + 0.344198268181 10355.2379142950 + 0.671365083599 17670.3619015058 + 0.673522394022 17714.3267239307 + 0.908707183062 22238.0505795864 + 0.908916984349 22241.8638277175 + 1.247315798346 27943.3957345551 + 1.249324438995 27974.7404757810 + 1.703631718547 34406.2391526172 + 1.710078794522 34488.7471931582 + 2.049424902565 38524.2093891290 + 2.051014358676 38541.7587106836 + 2.515761949864 43187.9685551978 + 2.520740785479 43232.8251969064 + 2.860151808730 46069.6450920085 0.000000067373 0.0312733044 - 0.185107382170 8240.1441671909 - 0.355947848760 14200.3501198203 - 0.715882241845 24761.6621491231 - 0.958747353994 30873.1352765502 - 1.315850318831 38749.5502811174 - 1.799422908578 47708.1940710586 - 2.158841327796 53309.6498269445 - 2.645189863982 59687.7483401424 + 0.185107382170 8239.6997011268 + 0.355947848760 14199.0121452750 + 0.715882241845 24757.5603093601 + 0.958747353994 30866.7986846366 + 1.315850318831 38739.7590497929 + 1.799422908578 47693.8977834278 + 2.158841327796 53292.3727586324 + 2.645189863982 59667.0977927577 0.000000082766 0.0417744594 - 0.585319571552 24032.9953668455 - 0.585319571552 24032.9953668455 - 1.188898583469 41005.3896142362 - 1.784033524584 54001.6014200306 - 2.360522907134 63963.4174777557 - 2.360522907134 63963.4174777557 - 2.947464295615 71992.7165559720 - 3.091148273930 73681.2212011443 - 4.038986392355 82568.3137340311 - 5.501852538812 90493.3751608066 - 5.501852538812 90493.3751608066 - 5.952120391558 91913.9708029289 + 0.585319571552 24029.0138052419 + 0.585319571552 24029.0138052419 + 1.188898583469 40993.9076350440 + 1.784033524584 53982.4633870465 + 2.360522907134 63937.8772276764 + 2.360522907134 63937.8772276764 + 2.947464295615 71962.1177149662 + 3.091148273930 73649.6150880015 + 4.038986392355 82532.6043837571 + 5.501852538812 90456.5412185435 + 5.501852538812 90456.5412185435 + 5.952120391558 91877.6572214526 0.000000100644 0.0547821166 - 0.011257240821 907.1793990778 - 0.018443516065 1409.3273192082 - 0.024612042653 1821.9862348723 - 0.031625409087 2275.9730139205 - 0.033307683853 2382.8471266788 - 0.053990864509 3646.9294131793 - 0.057726731889 3867.0507842611 - 0.065233053709 4303.0665695582 - 0.069834624536 4566.5311633519 - 0.081628740961 5229.8740530458 - 0.116853698440 7126.3517791905 - 0.117062126318 7137.2498065928 - 0.127783448248 7693.3353997219 - 0.144140815541 8525.8365602267 - 0.147538415922 8696.5100628412 - 0.166349800168 9628.5908546178 - 0.192776447808 10904.3778784811 - 0.193104628542 10919.9937234577 - 0.220290214434 12195.7855225239 - 0.272273004753 14547.6227955720 - 0.288103903686 15243.5783527592 - 0.296468401619 15607.7928328314 - 0.378740628139 19073.5052994794 - 0.460997893316 22354.7458781935 - 0.534373105759 25150.0774085338 - 0.588049728424 27125.1470222837 - 0.595351018887 27389.5390030701 - 0.718540056275 31708.0384709525 - 0.719767369909 31749.7781924819 - 0.740033556294 32435.5348937078 - 0.881802981597 37058.5655632568 - 0.883270291809 37104.8973915574 - 1.115838980108 44092.3338884981 - 1.290021457790 48901.7265844808 - 1.292178729041 48959.1958134552 - 1.455035810161 53158.1920617443 - 1.464834971428 53402.3150049122 - 1.493273973118 54105.4956587022 - 1.740590379411 59901.4562263310 - 1.743497767510 59966.3222247067 - 1.899814868299 63348.1476010075 - 2.126385611260 67899.4406350261 - 2.243247651933 70094.8059681080 - 2.360295175240 72195.6134451375 - 2.618272884711 76499.1508720358 - 2.943562351675 81334.9634719441 - 2.945301622174 81359.1656181978 - 2.950819312811 81435.8328429321 - 2.993461714821 82022.6254599835 - 3.592055511814 89265.7287515321 - 4.491852781419 97203.2989476785 - 5.240549987650 101703.7843834891 - 5.992587684515 104750.1032029016 - 7.488643920182 107624.6822012617 - 0.000000121213 0.0706525638 - 2.369903570982 80964.5920152281 - 4.054537495699 105300.3368089463 - 5.524889763969 116078.0700623367 - 5.974793780793 118076.1218788346 - 0.000000144671 0.0897480540 - 0.128158193564 9559.3126580095 - 0.446972426944 26928.1387136022 - 0.785316969784 41912.8797813022 - 0.996030851489 50125.6884114080 - 1.769389276196 74990.4945747919 - 2.272587812207 87683.3643048737 - 2.658672111233 95928.7214244632 - 2.929625645732 101038.7455968106 - 3.013782651173 102521.3894220390 - 0.000000200960 0.1390472928 - 0.295070990567 23143.2648430823 - 0.592492694705 40515.3525727457 - 1.488639055461 80423.7494864233 - 2.970419288355 123155.6063697763 - 0.000000760968 0.7572688503 - 0.575799282910 82298.9767771288 - 1.464043630940 164473.6973700969 - 2.937735123629 257371.1907478488 + 0.011257240821 907.1742613888 + 0.018443516065 1409.3149308255 + 0.024612042653 1821.9654569800 + 0.031625409087 2275.9404327470 + 0.033307683853 2382.8113710135 + 0.053990864509 3646.8444841954 + 0.057726731889 3866.9550732470 + 0.065233053709 4302.9475312173 + 0.069834624536 4566.3967524173 + 0.081628740961 5229.6966413294 + 0.116853698440 7126.0169761773 + 0.117062126318 7136.9139497550 + 0.127783448248 7692.9434803817 + 0.144140815541 8525.3522722994 + 0.147538415922 8696.0055815595 + 0.166349800168 9627.9685050936 + 0.192776447808 10903.5732720194 + 0.193104628542 10919.1867355727 + 0.220290214434 12194.7716161027 + 0.272273004753 14546.1631417939 + 0.288103903686 15241.9707456178 + 0.296468401619 15606.1048716661 + 0.378740628139 19070.9522240153 + 0.460997893316 22351.2069954500 + 0.534373105759 25145.5724937398 + 0.588049728424 27119.8907514380 + 0.595351018887 27384.1778868847 + 0.718540056275 31700.8252702219 + 0.719767369909 31742.5458287882 + 0.740033556294 32427.9843047805 + 0.881802981597 37048.7069302331 + 0.883270291809 37095.0142308174 + 1.115838980108 44078.4554005972 + 1.290021457790 48884.7844905173 + 1.292178729041 48942.2157178284 + 1.455035810161 53138.3546841064 + 1.464834971428 53382.3068811762 + 1.493273973118 54084.9930645406 + 1.740590379411 59876.7438639021 + 1.743497767510 59941.5615554642 + 1.899814868299 63320.8392917390 + 2.126385611260 67868.6354853304 + 2.243247651933 70062.2985120327 + 2.360295175240 72161.4748235749 + 2.618272884711 76461.6885694338 + 2.943562351675 81293.8538815761 + 2.945301622174 81318.0381522604 + 2.950819312811 81394.6487816611 + 2.993461714821 81981.0098180919 + 3.592055511814 89219.1003396268 + 4.491852781419 97153.2809285791 + 5.240549987650 101652.9441934237 + 5.992587684515 104699.9400471265 + 7.488643920182 107578.4528892677 + 0.000000121213 0.0706525639 + 2.369903570982 80919.5092915553 + 4.054537495699 105235.3868318047 + 5.524889763969 116009.3798641990 + 5.974793780793 118007.8949043237 + 0.000000144671 0.0897480541 + 0.128158193564 9558.6665415254 + 0.446972426944 26922.5797225033 + 0.785316969784 41899.1333254214 + 0.996030851489 50106.0236111606 + 1.769389276196 74947.9821005776 + 2.272587812207 87627.3138536170 + 2.658672111233 95863.6714058434 + 2.929625645732 100968.1804082862 + 3.013782651173 102449.2472627305 + 0.000000200960 0.1390472929 + 0.295070990567 23138.8742521375 + 0.592492694705 40501.3656617046 + 1.488639055461 80368.9558122824 + 2.970419288355 123039.2969457129 + 0.000000760968 0.7572688298 + 0.575799282910 82210.3715373988 + 1.464043630940 164110.7853531195 + 2.937735123629 256521.2323462815 diff --git a/mytest/Vm_Na2SO4_sol.out b/mytest/Vm_Na2SO4_sol.out index 138d78ed9..917beec17 100644 --- a/mytest/Vm_Na2SO4_sol.out +++ b/mytest/Vm_Na2SO4_sol.out @@ -225,7 +225,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.464 Charge balance - pe = -1.660 Adjusted to redox equilibrium + pe = -1.659 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 3634 Density (g/cm³) = 1.00423 Volume (L) = 1.00028 @@ -233,9 +233,9 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 8.082e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.999e-17 + Total alkalinity (eq/kg) = 2.966e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 2.798e-14 + Electrical balance (eq) = 2.980e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -249,19 +249,18 @@ Reaction 1. OH- 6.919e-08 5.419e-08 -7.160 -7.266 -0.106 -5.23 H+ 4.098e-08 3.434e-08 -7.387 -7.464 -0.077 0.00 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.02 -H(0) 4.248e-15 - H2 2.124e-15 2.164e-15 -14.673 -14.665 0.008 28.63 +H(0) 4.226e-15 + H2 2.113e-15 2.153e-15 -14.675 -14.667 0.008 28.63 Na 6.356e-02 Na+ 5.630e-02 4.520e-02 -1.249 -1.345 -0.095 -2.56 NaSO4- 7.260e-03 5.859e-03 -2.139 -2.232 -0.093 -10.91 - NaOH 2.404e-19 2.449e-19 -18.619 -18.611 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.978 -69.970 0.008 28.29 -S(-2) 1.604e-19 - HS- 1.087e-19 8.515e-20 -18.964 -19.070 -0.106 19.28 - H2S 5.167e-20 5.264e-20 -19.287 -19.279 0.008 29.51 - S-2 1.671e-25 6.896e-26 -24.777 -25.161 -0.384 (0) - (H2S)2 0.000e+00 0.000e+00 -40.097 -40.089 0.008 30.79 + O2 0.000e+00 0.000e+00 -69.974 -69.966 0.008 28.29 +S(-2) 1.571e-19 + HS- 1.065e-19 8.342e-20 -18.973 -19.079 -0.106 19.28 + H2S 5.062e-20 5.157e-20 -19.296 -19.288 0.008 29.51 + S-2 1.637e-25 6.756e-26 -24.786 -25.170 -0.384 (0) + (H2S)2 0.000e+00 0.000e+00 -40.115 -40.107 0.008 30.79 S(6) 3.178e-02 SO4-2 2.452e-02 1.005e-02 -1.610 -1.998 -0.388 19.12 NaSO4- 7.260e-03 5.859e-03 -2.139 -2.232 -0.093 -10.91 @@ -271,12 +270,12 @@ S(6) 3.178e-02 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.63 -14.66 -3.03 H2 + H2(g) -11.63 -14.67 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O - H2S(g) -18.54 -26.53 -7.99 H2S + H2S(g) -18.55 -26.54 -7.99 H2S Mirabilite -2.45 -4.69 -2.25 Na2SO4:10H2O - O2(g) -67.26 -69.97 -2.71 O2 - Sulfur -13.05 -7.67 5.38 S + O2(g) -67.25 -69.97 -2.71 O2 + Sulfur -13.06 -7.68 5.38 S Thenardite -4.48 -4.69 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -314,7 +313,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.485 Charge balance - pe = -1.652 Adjusted to redox equilibrium + pe = -1.655 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 5469 Density (g/cm³) = 1.00671 Volume (L) = 1.00046 @@ -322,9 +321,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.227e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.040e-17 + Total alkalinity (eq/kg) = 2.928e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 1.031e-13 + Electrical balance (eq) = 8.159e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -338,19 +337,18 @@ Reaction 1. OH- 7.551e-08 5.679e-08 -7.122 -7.246 -0.124 -5.13 H+ 3.987e-08 3.275e-08 -7.399 -7.485 -0.085 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.02 -H(0) 3.687e-15 - H2 1.843e-15 1.896e-15 -14.734 -14.722 0.012 28.63 +H(0) 3.727e-15 + H2 1.864e-15 1.917e-15 -14.730 -14.717 0.012 28.63 Na 1.010e-01 Na+ 8.661e-02 6.752e-02 -1.062 -1.171 -0.108 -2.46 NaSO4- 1.439e-02 1.126e-02 -1.842 -1.948 -0.106 -8.43 - NaOH 3.728e-19 3.834e-19 -18.429 -18.416 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.869 -69.856 0.012 28.29 -S(-2) 1.176e-19 - HS- 8.220e-20 6.182e-20 -19.085 -19.209 -0.124 19.33 - H2S 3.542e-20 3.644e-20 -19.451 -19.438 0.012 29.51 - S-2 1.450e-25 5.251e-26 -24.839 -25.280 -0.441 (0) - (H2S)2 0.000e+00 0.000e+00 -40.421 -40.409 0.012 30.79 + O2 0.000e+00 0.000e+00 -69.878 -69.866 0.012 28.29 +S(-2) 1.229e-19 + HS- 8.587e-20 6.457e-20 -19.066 -19.190 -0.124 19.33 + H2S 3.700e-20 3.806e-20 -19.432 -19.420 0.012 29.51 + S-2 1.515e-25 5.485e-26 -24.820 -25.261 -0.441 (0) + (H2S)2 0.000e+00 0.000e+00 -40.383 -40.371 0.012 30.79 S(6) 5.050e-02 SO4-2 3.611e-02 1.293e-02 -1.442 -1.888 -0.446 20.99 NaSO4- 1.439e-02 1.126e-02 -1.842 -1.948 -0.106 -8.43 @@ -360,12 +358,12 @@ S(6) 5.050e-02 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.69 -14.72 -3.03 H2 + H2(g) -11.68 -14.72 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O - H2S(g) -18.70 -26.69 -7.99 H2S + H2S(g) -18.68 -26.67 -7.99 H2S Mirabilite -1.99 -4.24 -2.25 Na2SO4:10H2O - O2(g) -67.14 -69.86 -2.71 O2 - Sulfur -13.16 -7.77 5.38 S + O2(g) -67.15 -69.87 -2.71 O2 + Sulfur -13.14 -7.76 5.38 S Thenardite -4.03 -4.23 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -403,7 +401,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.489 Charge balance - pe = -1.778 Adjusted to redox equilibrium + pe = -1.782 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 5942 Density (g/cm³) = 1.00737 Volume (L) = 1.00051 @@ -411,9 +409,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.336e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.709e-17 + Total alkalinity (eq/kg) = -1.841e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -5.397e-10 + Electrical balance (eq) = -5.655e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -427,19 +425,18 @@ Reaction 1. OH- 7.691e-08 5.734e-08 -7.114 -7.242 -0.128 -5.11 H+ 3.964e-08 3.242e-08 -7.402 -7.489 -0.087 0.00 H2O 5.551e+01 9.974e-01 1.744 -0.001 0.000 18.02 -H(0) 6.433e-15 - H2 3.216e-15 3.317e-15 -14.493 -14.479 0.013 28.63 +H(0) 6.561e-15 + H2 3.280e-15 3.383e-15 -14.484 -14.471 0.013 28.63 Na 1.111e-01 Na+ 9.455e-02 7.328e-02 -1.024 -1.135 -0.111 -2.44 NaSO4- 1.651e-02 1.284e-02 -1.782 -1.891 -0.109 -7.90 - NaOH 4.075e-19 4.202e-19 -18.390 -18.377 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.356 -70.342 0.013 28.29 -S(-2) 1.149e-18 - HS- 8.079e-19 6.023e-19 -18.093 -18.220 -0.128 19.35 - H2S 3.408e-19 3.515e-19 -18.467 -18.454 0.013 29.51 - S-2 1.467e-24 5.167e-25 -23.834 -24.287 -0.453 (0) - (H2S)2 3.520e-39 3.629e-39 -38.454 -38.440 0.013 30.79 + O2 0.000e+00 0.000e+00 -70.373 -70.359 0.013 28.29 +S(-2) 1.243e-18 + HS- 8.741e-19 6.517e-19 -18.058 -18.186 -0.128 19.35 + H2S 3.688e-19 3.803e-19 -18.433 -18.420 0.013 29.51 + S-2 1.587e-24 5.591e-25 -23.799 -24.253 -0.453 (0) + (H2S)2 4.121e-39 4.249e-39 -38.385 -38.372 0.013 30.79 S(6) 5.553e-02 SO4-2 3.902e-02 1.358e-02 -1.409 -1.867 -0.458 21.41 NaSO4- 1.651e-02 1.284e-02 -1.782 -1.891 -0.109 -7.90 @@ -449,12 +446,12 @@ S(6) 5.553e-02 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.44 -14.48 -3.03 H2 + H2(g) -11.44 -14.47 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O - H2S(g) -17.72 -25.71 -7.99 H2S + H2S(g) -17.68 -25.68 -7.99 H2S Mirabilite -1.90 -4.15 -2.25 Na2SO4:10H2O - O2(g) -67.63 -70.34 -2.71 O2 - Sulfur -12.41 -7.03 5.38 S + O2(g) -67.64 -70.36 -2.71 O2 + Sulfur -12.39 -7.01 5.38 S Thenardite -3.93 -4.14 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -492,7 +489,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.535 Charge balance - pe = -1.822 Adjusted to redox equilibrium + pe = -1.806 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 14902 Density (g/cm³) = 1.02134 Volume (L) = 1.00188 @@ -500,9 +497,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.435e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.297e-17 + Total alkalinity (eq/kg) = 5.620e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -7.217e-12 + Electrical balance (eq) = -8.200e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -516,19 +513,18 @@ Reaction 1. OH- 9.465e-08 6.345e-08 -7.024 -7.198 -0.174 -4.71 H+ 3.729e-08 2.917e-08 -7.428 -7.535 -0.107 0.00 H2O 5.551e+01 9.929e-01 1.744 -0.003 0.000 18.02 -H(0) 6.076e-15 - H2 3.038e-15 3.288e-15 -14.517 -14.483 0.034 28.63 +H(0) 5.636e-15 + H2 2.818e-15 3.050e-15 -14.550 -14.516 0.034 28.63 Na 3.275e-01 Na+ 2.536e-01 1.860e-01 -0.596 -0.731 -0.135 -2.11 NaSO4- 7.384e-02 5.332e-02 -1.132 -1.273 -0.141 -1.21 - NaOH 1.090e-18 1.180e-18 -17.962 -17.928 0.034 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.373 -70.339 0.034 28.29 -S(-2) 1.725e-18 - HS- 1.302e-18 8.725e-19 -17.886 -18.059 -0.174 19.52 - H2S 4.232e-19 4.581e-19 -18.373 -18.339 0.034 29.51 - S-2 3.260e-24 8.320e-25 -23.487 -24.080 -0.593 (0) - (H2S)2 5.695e-39 6.164e-39 -38.245 -38.210 0.034 30.79 + O2 0.000e+00 0.000e+00 -70.308 -70.273 0.034 28.29 +S(-2) 1.277e-18 + HS- 9.633e-19 6.457e-19 -18.016 -18.190 -0.174 19.52 + H2S 3.132e-19 3.390e-19 -18.504 -18.470 0.034 29.51 + S-2 2.413e-24 6.158e-25 -23.617 -24.211 -0.593 (0) + (H2S)2 3.120e-39 3.376e-39 -38.506 -38.472 0.034 30.79 S(6) 1.637e-01 SO4-2 8.989e-02 2.222e-02 -1.046 -1.653 -0.607 27.44 NaSO4- 7.384e-02 5.332e-02 -1.132 -1.273 -0.141 -1.21 @@ -538,12 +534,12 @@ S(6) 1.637e-01 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.45 -14.48 -3.03 H2 + H2(g) -11.48 -14.52 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O - H2S(g) -17.60 -25.59 -7.99 H2S + H2S(g) -17.73 -25.73 -7.99 H2S Mirabilite -0.90 -3.15 -2.25 Na2SO4:10H2O - O2(g) -67.62 -70.34 -2.71 O2 - Sulfur -12.30 -6.91 5.38 S + O2(g) -67.56 -70.27 -2.71 O2 + Sulfur -12.39 -7.01 5.38 S Thenardite -2.91 -3.11 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -581,7 +577,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.542 Charge balance - pe = 12.020 Adjusted to redox equilibrium + pe = 11.916 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 17521 Density (g/cm³) = 1.02586 Volume (L) = 1.00242 @@ -589,11 +585,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 4.066e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.500e-18 + Total alkalinity (eq/kg) = 1.403e-18 Temperature (°C) = 5.00 - Electrical balance (eq) = 8.234e-11 + Electrical balance (eq) = 1.700e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.630426e+01 @@ -606,18 +602,17 @@ Reaction 1. H+ 3.698e-08 2.871e-08 -7.432 -7.542 -0.110 0.00 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 18.02 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.222 -42.181 0.041 28.63 + H2 0.000e+00 0.000e+00 -42.013 -41.972 0.041 28.63 Na 3.990e-01 Na+ 3.030e-01 2.209e-01 -0.518 -0.656 -0.137 -2.03 NaSO4- 9.597e-02 6.838e-02 -1.018 -1.165 -0.147 0.15 - NaOH 1.295e-18 1.422e-18 -17.888 -17.847 0.041 (0) -O(0) 2.074e-15 - O2 1.037e-15 1.139e-15 -14.984 -14.944 0.041 28.29 +O(0) 7.924e-16 + O2 3.962e-16 4.351e-16 -15.402 -15.361 0.041 28.29 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -128.641 -128.823 -0.183 19.56 - H2S 0.000e+00 0.000e+00 -129.151 -129.110 0.041 29.51 - S-2 0.000e+00 0.000e+00 -134.218 -134.837 -0.619 (0) - (H2S)2 0.000e+00 0.000e+00 -259.793 -259.752 0.041 30.79 + HS- 0.000e+00 0.000e+00 -127.805 -127.987 -0.183 19.56 + H2S 0.000e+00 0.000e+00 -128.315 -128.274 0.041 29.51 + S-2 0.000e+00 0.000e+00 -133.382 -134.001 -0.619 (0) + (H2S)2 0.000e+00 0.000e+00 -258.121 -258.080 0.041 30.79 S(6) 1.995e-01 SO4-2 1.035e-01 2.399e-02 -0.985 -1.620 -0.635 28.82 NaSO4- 9.597e-02 6.838e-02 -1.018 -1.165 -0.147 0.15 @@ -627,12 +622,12 @@ S(6) 1.995e-01 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -39.15 -42.18 -3.03 H2 + H2(g) -38.94 -41.97 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O - H2S(g) -128.37 -136.37 -7.99 H2S + H2S(g) -127.54 -135.53 -7.99 H2S Mirabilite -0.72 -2.97 -2.25 Na2SO4:10H2O - O2(g) -12.23 -14.94 -2.71 O2 - Sulfur -95.37 -89.99 5.38 S + O2(g) -12.65 -15.36 -2.71 O2 + Sulfur -94.74 -89.36 5.38 S Thenardite -2.73 -2.93 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -670,7 +665,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.553 Charge balance - pe = -1.819 Adjusted to redox equilibrium + pe = -1.824 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 24377 Density (g/cm³) = 1.03857 Volume (L) = 1.00414 @@ -678,9 +673,9 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.765e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.101e-17 + Total alkalinity (eq/kg) = -3.289e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.265e-14 + Electrical balance (eq) = -4.374e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -694,19 +689,18 @@ Reaction 1. OH- 1.046e-07 6.582e-08 -6.980 -7.182 -0.201 -4.32 H+ 3.656e-08 2.796e-08 -7.437 -7.553 -0.116 0.00 H2O 5.551e+01 9.874e-01 1.744 -0.006 0.000 18.02 -H(0) 5.224e-15 - H2 2.612e-15 2.983e-15 -14.583 -14.525 0.058 28.63 +H(0) 5.345e-15 + H2 2.672e-15 3.052e-15 -14.573 -14.515 0.058 28.63 Na 6.036e-01 Na+ 4.392e-01 3.184e-01 -0.357 -0.497 -0.140 -1.85 NaSO4- 1.645e-01 1.140e-01 -0.784 -0.943 -0.159 3.13 - NaOH 1.835e-18 2.096e-18 -17.736 -17.679 0.058 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.259 0.058 28.29 -S(-2) 1.468e-18 - HS- 1.149e-18 7.231e-19 -17.940 -18.141 -0.201 19.65 - H2S 3.187e-19 3.640e-19 -18.497 -18.439 0.058 29.51 - S-2 3.377e-24 7.193e-25 -23.472 -24.143 -0.672 (0) - (H2S)2 3.407e-39 3.891e-39 -38.468 -38.410 0.058 30.79 + O2 0.000e+00 0.000e+00 -70.336 -70.279 0.058 28.29 +S(-2) 1.608e-18 + HS- 1.259e-18 7.922e-19 -17.900 -18.101 -0.201 19.65 + H2S 3.492e-19 3.987e-19 -18.457 -18.399 0.058 29.51 + S-2 3.699e-24 7.881e-25 -23.432 -24.103 -0.672 (0) + (H2S)2 4.090e-39 4.671e-39 -38.388 -38.331 0.058 30.79 S(6) 3.018e-01 NaSO4- 1.645e-01 1.140e-01 -0.784 -0.943 -0.159 3.13 SO4-2 1.374e-01 2.775e-02 -0.862 -1.557 -0.695 32.03 @@ -716,12 +710,12 @@ S(6) 3.018e-01 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.49 -14.53 -3.03 H2 + H2(g) -11.48 -14.52 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O - H2S(g) -17.70 -25.69 -7.99 H2S + H2S(g) -17.66 -25.65 -7.99 H2S Mirabilite -0.36 -2.61 -2.25 Na2SO4:10H2O - O2(g) -67.54 -70.26 -2.71 O2 - Sulfur -12.35 -6.97 5.38 S + O2(g) -67.56 -70.28 -2.71 O2 + Sulfur -12.32 -6.94 5.38 S Thenardite -2.35 -2.55 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -759,7 +753,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.560 Charge balance - pe = -1.781 Adjusted to redox equilibrium + pe = -1.826 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 35754 Density (g/cm³) = 1.06273 Volume (L) = 1.00808 @@ -767,9 +761,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.799e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.453e-16 + Total alkalinity (eq/kg) = -1.019e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = 4.599e-11 + Electrical balance (eq) = 4.833e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -783,19 +777,18 @@ Reaction 1. OH- 1.110e-07 6.625e-08 -6.955 -7.179 -0.224 -3.85 H+ 3.665e-08 2.756e-08 -7.436 -7.560 -0.124 0.00 H2O 5.551e+01 9.797e-01 1.744 -0.009 0.000 18.02 -H(0) 3.961e-15 - H2 1.980e-15 2.425e-15 -14.703 -14.615 0.088 28.63 +H(0) 4.877e-15 + H2 2.439e-15 2.986e-15 -14.613 -14.525 0.088 28.63 Na 1.004e+00 Na+ 6.910e-01 5.071e-01 -0.161 -0.295 -0.134 -1.59 NaSO4- 3.132e-01 2.102e-01 -0.504 -0.677 -0.173 7.08 - NaOH 2.744e-18 3.360e-18 -17.562 -17.474 0.088 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.174 -70.086 0.088 28.29 -S(-2) 7.740e-19 - HS- 6.233e-19 3.720e-19 -18.205 -18.429 -0.224 19.80 - H2S 1.507e-19 1.846e-19 -18.822 -18.734 0.088 29.51 - S-2 2.035e-24 3.754e-25 -23.691 -24.426 -0.734 (0) - (H2S)2 8.172e-40 1.001e-39 -39.088 -39.000 0.088 30.79 + O2 0.000e+00 0.000e+00 -70.355 -70.267 0.088 28.29 +S(-2) 1.780e-18 + HS- 1.433e-18 8.553e-19 -17.844 -18.068 -0.224 19.80 + H2S 3.466e-19 4.244e-19 -18.460 -18.372 0.088 29.51 + S-2 4.679e-24 8.631e-25 -23.330 -24.064 -0.734 (0) + (H2S)2 4.320e-39 5.291e-39 -38.364 -38.276 0.088 30.79 S(6) 5.021e-01 NaSO4- 3.132e-01 2.102e-01 -0.504 -0.677 -0.173 7.08 SO4-2 1.889e-01 3.213e-02 -0.724 -1.493 -0.769 36.67 @@ -805,12 +798,12 @@ S(6) 5.021e-01 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.58 -14.62 -3.03 H2 + H2(g) -11.49 -14.52 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O - H2S(g) -18.00 -25.99 -7.99 H2S + H2S(g) -17.63 -25.63 -7.99 H2S Mirabilite 0.08 -2.17 -2.25 Na2SO4:10H2O - O2(g) -67.37 -70.09 -2.71 O2 - Sulfur -12.56 -7.18 5.38 S + O2(g) -67.55 -70.27 -2.71 O2 + Sulfur -12.29 -6.90 5.38 S Thenardite -1.88 -2.08 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -848,7 +841,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.559 Charge balance - pe = 12.012 Adjusted to redox equilibrium + pe = 12.025 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 39003 Density (g/cm³) = 1.07045 Volume (L) = 1.00950 @@ -856,9 +849,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 9.733e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.032e-16 + Total alkalinity (eq/kg) = -7.781e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 6.855e-11 + Electrical balance (eq) = 7.699e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -873,18 +866,17 @@ Reaction 1. H+ 3.681e-08 2.758e-08 -7.434 -7.559 -0.125 0.00 H2O 5.551e+01 9.773e-01 1.744 -0.010 0.000 18.02 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.298 -42.200 0.097 28.63 + H2 0.000e+00 0.000e+00 -42.323 -42.226 0.097 28.63 Na 1.135e+00 Na+ 7.705e-01 5.694e-01 -0.113 -0.245 -0.131 -1.52 NaSO4- 3.647e-01 2.430e-01 -0.438 -0.614 -0.176 8.08 - NaOH 3.006e-18 3.761e-18 -17.522 -17.425 0.097 (0) -O(0) 1.930e-15 - O2 9.651e-16 1.208e-15 -15.015 -14.918 0.097 28.29 +O(0) 2.174e-15 + O2 1.087e-15 1.360e-15 -14.964 -14.866 0.097 28.29 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -128.522 -128.752 -0.230 19.83 - H2S 0.000e+00 0.000e+00 -129.154 -129.056 0.097 29.51 - S-2 0.000e+00 0.000e+00 -134.000 -134.748 -0.749 (0) - (H2S)2 0.000e+00 0.000e+00 -259.742 -259.644 0.097 30.79 + HS- 0.000e+00 0.000e+00 -128.626 -128.855 -0.230 19.83 + H2S 0.000e+00 0.000e+00 -129.257 -129.159 0.097 29.51 + S-2 0.000e+00 0.000e+00 -134.103 -134.852 -0.749 (0) + (H2S)2 0.000e+00 0.000e+00 -259.948 -259.851 0.097 30.79 S(6) 5.676e-01 NaSO4- 3.647e-01 2.430e-01 -0.438 -0.614 -0.176 8.08 SO4-2 2.029e-01 3.308e-02 -0.693 -1.480 -0.788 37.92 @@ -894,12 +886,12 @@ S(6) 5.676e-01 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -39.17 -42.20 -3.03 H2 + H2(g) -39.19 -42.23 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O - H2S(g) -128.32 -136.31 -7.99 H2S + H2S(g) -128.42 -136.41 -7.99 H2S Mirabilite 0.18 -2.07 -2.25 Na2SO4:10H2O - O2(g) -12.20 -14.92 -2.71 O2 - Sulfur -95.30 -89.91 5.38 S + O2(g) -12.15 -14.87 -2.71 O2 + Sulfur -95.37 -89.99 5.38 S Thenardite -1.77 -1.97 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -937,7 +929,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.558 Charge balance - pe = 11.985 Adjusted to redox equilibrium + pe = 11.983 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 42805 Density (g/cm³) = 1.08005 Volume (L) = 1.01137 @@ -945,9 +937,9 @@ Reaction 1. Activity of water = 0.974 Ionic strength (mol/kgw) = 1.088e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.894e-17 + Total alkalinity (eq/kg) = -8.992e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 5.970e-10 + Electrical balance (eq) = 4.205e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -962,18 +954,17 @@ Reaction 1. H+ 3.706e-08 2.766e-08 -7.431 -7.558 -0.127 0.00 H2O 5.551e+01 9.742e-01 1.744 -0.011 0.000 18.02 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.253 -42.145 0.109 28.63 + H2 0.000e+00 0.000e+00 -42.248 -42.139 0.109 28.63 Na 1.300e+00 Na+ 8.689e-01 6.486e-01 -0.061 -0.188 -0.127 -1.43 NaSO4- 4.311e-01 2.850e-01 -0.365 -0.545 -0.180 9.21 - NaOH 3.315e-18 4.259e-18 -17.480 -17.371 0.109 (0) -O(0) 1.446e-15 - O2 7.230e-16 9.288e-16 -15.141 -15.032 0.109 28.29 +O(0) 1.412e-15 + O2 7.061e-16 9.070e-16 -15.151 -15.042 0.109 28.29 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -128.275 -128.510 -0.236 19.88 - H2S 0.000e+00 0.000e+00 -128.922 -128.813 0.109 29.51 - S-2 0.000e+00 0.000e+00 -133.743 -134.508 -0.765 (0) - (H2S)2 0.000e+00 0.000e+00 -259.267 -259.158 0.109 30.79 + HS- 0.000e+00 0.000e+00 -128.254 -128.490 -0.236 19.88 + H2S 0.000e+00 0.000e+00 -128.901 -128.793 0.109 29.51 + S-2 0.000e+00 0.000e+00 -133.723 -134.487 -0.765 (0) + (H2S)2 0.000e+00 0.000e+00 -259.226 -259.117 0.109 30.79 S(6) 6.500e-01 NaSO4- 4.311e-01 2.850e-01 -0.365 -0.545 -0.180 9.21 SO4-2 2.189e-01 3.405e-02 -0.660 -1.468 -0.808 39.36 @@ -985,10 +976,10 @@ S(6) 6.500e-01 H2(g) -39.11 -42.14 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O - H2S(g) -128.08 -136.07 -7.99 H2S + H2S(g) -128.05 -136.05 -7.99 H2S Mirabilite 0.29 -1.96 -2.25 Na2SO4:10H2O - O2(g) -12.32 -15.03 -2.71 O2 - Sulfur -95.11 -89.73 5.38 S + O2(g) -12.33 -15.04 -2.71 O2 + Sulfur -95.09 -89.71 5.38 S Thenardite -1.64 -1.84 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1026,7 +1017,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.557 Charge balance - pe = 12.036 Adjusted to redox equilibrium + pe = 12.024 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 45047 Density (g/cm³) = 1.08603 Volume (L) = 1.01259 @@ -1034,9 +1025,9 @@ Reaction 1. Activity of water = 0.972 Ionic strength (mol/kgw) = 1.158e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.064e-17 + Total alkalinity (eq/kg) = 1.494e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = 2.542e-10 + Electrical balance (eq) = 3.131e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -1051,18 +1042,17 @@ Reaction 1. H+ 3.724e-08 2.773e-08 -7.429 -7.557 -0.128 0.00 H2O 5.551e+01 9.723e-01 1.744 -0.012 0.000 18.02 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.360 -42.244 0.116 28.63 + H2 0.000e+00 0.000e+00 -42.335 -42.219 0.116 28.63 Na 1.404e+00 Na+ 9.301e-01 6.990e-01 -0.031 -0.156 -0.124 -1.39 NaSO4- 4.737e-01 3.117e-01 -0.325 -0.506 -0.182 9.86 - NaOH 3.499e-18 4.568e-18 -17.456 -17.340 0.116 (0) -O(0) 2.241e-15 - O2 1.120e-15 1.463e-15 -14.951 -14.835 0.116 28.29 +O(0) 2.000e-15 + O2 9.998e-16 1.305e-15 -15.000 -14.884 0.116 28.29 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -128.658 -128.897 -0.239 19.90 - H2S 0.000e+00 0.000e+00 -129.315 -129.199 0.116 29.51 - S-2 0.000e+00 0.000e+00 -134.122 -134.896 -0.773 (0) - (H2S)2 0.000e+00 0.000e+00 -260.046 -259.930 0.116 30.79 + HS- 0.000e+00 0.000e+00 -128.559 -128.798 -0.239 19.90 + H2S 0.000e+00 0.000e+00 -129.216 -129.100 0.116 29.51 + S-2 0.000e+00 0.000e+00 -134.024 -134.797 -0.773 (0) + (H2S)2 0.000e+00 0.000e+00 -259.848 -259.732 0.116 30.79 S(6) 7.019e-01 NaSO4- 4.737e-01 3.117e-01 -0.325 -0.506 -0.182 9.86 SO4-2 2.282e-01 3.456e-02 -0.642 -1.461 -0.820 40.20 @@ -1072,12 +1062,12 @@ S(6) 7.019e-01 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -39.21 -42.24 -3.03 H2 + H2(g) -39.18 -42.22 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O - H2S(g) -128.46 -136.45 -7.99 H2S + H2S(g) -128.36 -136.36 -7.99 H2S Mirabilite 0.35 -1.89 -2.25 Na2SO4:10H2O - O2(g) -12.12 -14.83 -2.71 O2 - Sulfur -95.39 -90.01 5.38 S + O2(g) -12.17 -14.88 -2.71 O2 + Sulfur -95.32 -89.94 5.38 S Thenardite -1.57 -1.77 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1115,7 +1105,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.531 Charge balance - pe = -1.851 Adjusted to redox equilibrium + pe = -1.860 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 64766 Density (g/cm³) = 1.15532 Volume (L) = 1.02950 @@ -1123,9 +1113,9 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.952e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.916e-16 + Total alkalinity (eq/kg) = -8.346e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 3.556e-11 + Electrical balance (eq) = 1.424e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -1139,19 +1129,18 @@ Reaction 1. OH- 1.111e-07 6.017e-08 -6.954 -7.221 -0.267 -2.32 H+ 4.019e-08 2.941e-08 -7.396 -7.531 -0.136 0.00 H2O 5.551e+01 9.494e-01 1.744 -0.023 0.000 18.02 -H(0) 4.863e-15 - H2 2.432e-15 3.812e-15 -14.614 -14.419 0.195 28.63 +H(0) 5.071e-15 + H2 2.535e-15 3.974e-15 -14.596 -14.401 0.195 28.63 Na 2.667e+00 Na+ 1.643e+00 1.361e+00 0.216 0.134 -0.082 -0.91 NaSO4- 1.024e+00 6.501e-01 0.010 -0.187 -0.197 15.65 - NaOH 5.223e-18 8.187e-18 -17.282 -17.087 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.701 -70.506 0.195 28.29 -S(-2) 6.919e-18 - HS- 5.849e-18 3.167e-18 -17.233 -17.499 -0.267 20.16 - H2S 1.069e-18 1.676e-18 -17.971 -17.776 0.195 29.51 - S-2 2.091e-23 2.995e-24 -22.680 -23.524 -0.844 (0) - (H2S)2 5.267e-38 8.256e-38 -37.278 -37.083 0.195 30.79 + O2 0.000e+00 0.000e+00 -70.737 -70.542 0.195 28.29 +S(-2) 8.176e-18 + HS- 6.912e-18 3.742e-18 -17.160 -17.427 -0.267 20.16 + H2S 1.264e-18 1.981e-18 -17.898 -17.703 0.195 29.51 + S-2 2.470e-23 3.539e-24 -22.607 -23.451 -0.844 (0) + (H2S)2 7.354e-38 1.153e-37 -37.133 -36.938 0.195 30.79 S(6) 1.333e+00 NaSO4- 1.024e+00 6.501e-01 0.010 -0.187 -0.197 15.65 SO4-2 3.094e-01 3.703e-02 -0.509 -1.431 -0.922 48.27 @@ -1161,12 +1150,12 @@ S(6) 1.333e+00 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.38 -14.42 -3.03 H2 + H2(g) -11.37 -14.40 -3.03 H2 H2O(g) -2.08 -0.02 2.06 H2O - H2S(g) -17.04 -25.03 -7.99 H2S + H2S(g) -16.97 -24.96 -7.99 H2S Mirabilite 0.86 -1.39 -2.25 Na2SO4:10H2O - O2(g) -67.79 -70.51 -2.71 O2 - Sulfur -11.80 -6.41 5.38 S + O2(g) -67.83 -70.54 -2.71 O2 + Sulfur -11.74 -6.36 5.38 S Thenardite -0.96 -1.16 -0.20 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1316,9 +1305,9 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 7.948e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.781e-17 + Total alkalinity (eq/kg) = 3.207e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.189e-14 + Electrical balance (eq) = 1.055e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1332,19 +1321,18 @@ Reaction 1. OH- 1.117e-07 8.736e-08 -6.952 -7.059 -0.107 -4.32 H+ 6.196e-08 5.185e-08 -7.208 -7.285 -0.077 0.00 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.03 -H(0) 4.268e-15 - H2 2.134e-15 2.173e-15 -14.671 -14.663 0.008 28.62 +H(0) 4.261e-15 + H2 2.130e-15 2.170e-15 -14.672 -14.664 0.008 28.62 Na 6.356e-02 Na+ 5.563e-02 4.457e-02 -1.255 -1.351 -0.096 -1.73 NaSO4- 7.933e-03 6.391e-03 -2.101 -2.194 -0.094 -8.28 - NaOH 3.823e-19 3.893e-19 -18.418 -18.410 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.403 -66.395 0.008 29.51 -S(-2) 8.549e-21 - HS- 5.762e-21 4.504e-21 -20.239 -20.346 -0.107 20.24 - H2S 2.787e-21 2.839e-21 -20.555 -20.547 0.008 33.43 - S-2 1.260e-26 5.165e-27 -25.900 -26.287 -0.387 (0) - (H2S)2 0.000e+00 0.000e+00 -42.498 -42.490 0.008 30.48 + O2 0.000e+00 0.000e+00 -66.401 -66.393 0.008 29.51 +S(-2) 8.495e-21 + HS- 5.725e-21 4.476e-21 -20.242 -20.349 -0.107 20.24 + H2S 2.770e-21 2.821e-21 -20.558 -20.550 0.008 33.43 + S-2 1.252e-26 5.132e-27 -25.902 -26.290 -0.387 (0) + (H2S)2 0.000e+00 0.000e+00 -42.503 -42.495 0.008 30.48 S(6) 3.178e-02 SO4-2 2.385e-02 9.705e-03 -1.623 -2.013 -0.390 21.81 NaSO4- 7.933e-03 6.391e-03 -2.101 -2.194 -0.094 -8.28 @@ -1397,7 +1385,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.296 Charge balance - pe = -1.070 Adjusted to redox equilibrium + pe = -1.059 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 5839 Density (g/cm³) = 1.00428 Volume (L) = 1.00136 @@ -1405,11 +1393,11 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 9.709e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.606e-17 + Total alkalinity (eq/kg) = 1.260e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 3.177e-14 + Electrical balance (eq) = 2.935e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.566504e+01 @@ -1421,19 +1409,18 @@ Reaction 1. OH- 1.167e-07 8.949e-08 -6.933 -7.048 -0.115 -4.28 H+ 6.105e-08 5.060e-08 -7.214 -7.296 -0.082 0.00 H2O 5.551e+01 9.982e-01 1.744 -0.001 0.000 18.03 -H(0) 5.428e-16 - H2 2.714e-16 2.776e-16 -15.566 -15.557 0.010 28.62 +H(0) 5.147e-16 + H2 2.573e-16 2.631e-16 -15.590 -15.580 0.010 28.62 Na 7.941e-02 Na+ 6.840e-02 5.402e-02 -1.165 -1.267 -0.102 -1.69 NaSO4- 1.101e-02 8.744e-03 -1.958 -2.058 -0.100 -7.16 - NaOH 4.728e-19 4.835e-19 -18.325 -18.316 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.617 -64.608 0.010 29.51 -S(-2) 2.518e-24 - HS- 1.723e-24 1.322e-24 -23.764 -23.879 -0.115 20.26 - H2S 7.949e-25 8.129e-25 -24.100 -24.090 0.010 33.43 - S-2 4.032e-30 1.553e-30 -29.394 -29.809 -0.414 (0) - (H2S)2 0.000e+00 0.000e+00 -49.586 -49.576 0.010 30.48 + O2 0.000e+00 0.000e+00 -64.571 -64.561 0.010 29.51 +S(-2) 2.035e-24 + HS- 1.393e-24 1.068e-24 -23.856 -23.971 -0.115 20.26 + H2S 6.423e-25 6.568e-25 -24.192 -24.183 0.010 33.43 + S-2 3.258e-30 1.255e-30 -29.487 -29.901 -0.414 (0) + (H2S)2 0.000e+00 0.000e+00 -49.771 -49.761 0.010 30.48 S(6) 3.971e-02 SO4-2 2.869e-02 1.095e-02 -1.542 -1.960 -0.418 22.68 NaSO4- 1.101e-02 8.744e-03 -1.958 -2.058 -0.100 -7.16 @@ -1443,12 +1430,12 @@ S(6) 3.971e-02 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -12.48 -15.56 -3.07 H2 + H2(g) -12.51 -15.58 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -23.21 -31.17 -7.96 H2S + H2S(g) -23.31 -31.27 -7.96 H2S Mirabilite -2.80 -4.50 -1.71 Na2SO4:10H2O - O2(g) -61.80 -64.61 -2.81 O2 - Sulfur -16.76 -11.64 5.12 S + O2(g) -61.75 -64.56 -2.81 O2 + Sulfur -16.83 -11.71 5.12 S Thenardite -4.24 -4.50 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1486,7 +1473,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.307 Charge balance - pe = 11.107 Adjusted to redox equilibrium + pe = 11.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 7113 Density (g/cm³) = 1.00557 Volume (L) = 1.00149 @@ -1494,9 +1481,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.188e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.738e-17 + Total alkalinity (eq/kg) = 3.036e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.065e-12 + Electrical balance (eq) = 1.592e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1510,19 +1497,18 @@ Reaction 1. OH- 1.220e-07 9.172e-08 -6.914 -7.038 -0.124 -4.23 H+ 6.013e-08 4.935e-08 -7.221 -7.307 -0.086 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.03 -H(0) 2.267e-40 - H2 1.134e-40 1.165e-40 -39.946 -39.934 0.012 28.62 +H(0) 2.288e-40 + H2 1.144e-40 1.176e-40 -39.941 -39.930 0.012 28.62 Na 9.955e-02 Na+ 8.427e-02 6.561e-02 -1.074 -1.183 -0.109 -1.65 NaSO4- 1.527e-02 1.195e-02 -1.816 -1.923 -0.107 -5.99 - NaOH 5.855e-19 6.018e-19 -18.232 -18.221 0.012 (0) -O(0) 2.724e-16 - O2 1.362e-16 1.400e-16 -15.866 -15.854 0.012 29.51 +O(0) 2.674e-16 + O2 1.337e-16 1.374e-16 -15.874 -15.862 0.012 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -121.222 -121.346 -0.124 20.29 - H2S 0.000e+00 0.000e+00 -121.580 -121.568 0.012 33.43 - S-2 0.000e+00 0.000e+00 -126.823 -127.265 -0.442 (0) - (H2S)2 0.000e+00 0.000e+00 -244.543 -244.532 0.012 30.48 + HS- 0.000e+00 0.000e+00 -121.206 -121.330 -0.124 20.29 + H2S 0.000e+00 0.000e+00 -121.564 -121.552 0.012 33.43 + S-2 0.000e+00 0.000e+00 -126.806 -127.249 -0.442 (0) + (H2S)2 0.000e+00 0.000e+00 -244.511 -244.499 0.012 30.48 S(6) 4.977e-02 SO4-2 3.450e-02 1.232e-02 -1.462 -1.909 -0.447 23.63 NaSO4- 1.527e-02 1.195e-02 -1.816 -1.923 -0.107 -5.99 @@ -1534,10 +1520,10 @@ S(6) 4.977e-02 H2(g) -36.86 -39.93 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -120.69 -128.65 -7.96 H2S + H2S(g) -120.68 -128.64 -7.96 H2S Mirabilite -2.58 -4.29 -1.71 Na2SO4:10H2O - O2(g) -13.04 -15.85 -2.81 O2 - Sulfur -89.86 -84.74 5.12 S + O2(g) -13.05 -15.86 -2.81 O2 + Sulfur -89.85 -84.73 5.12 S Thenardite -4.02 -4.28 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1583,7 +1569,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.193e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.888e-17 + Total alkalinity (eq/kg) = 2.114e-17 Temperature (°C) = 15.00 Electrical balance (eq) = 1.969e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1600,18 +1586,17 @@ Reaction 1. H+ 6.011e-08 4.932e-08 -7.221 -7.307 -0.086 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.452 -40.441 0.012 28.62 + H2 0.000e+00 0.000e+00 -40.454 -40.442 0.012 28.62 Na 1.000e-01 Na+ 8.463e-02 6.587e-02 -1.072 -1.181 -0.109 -1.64 NaSO4- 1.537e-02 1.202e-02 -1.813 -1.920 -0.107 -5.97 - NaOH 5.881e-19 6.044e-19 -18.231 -18.219 0.012 (0) -O(0) 2.811e-15 - O2 1.406e-15 1.445e-15 -14.852 -14.840 0.012 29.51 +O(0) 2.827e-15 + O2 1.413e-15 1.453e-15 -14.850 -14.838 0.012 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.248 -123.373 -0.124 20.29 - H2S 0.000e+00 0.000e+00 -123.607 -123.595 0.012 33.43 - S-2 0.000e+00 0.000e+00 -128.848 -129.291 -0.443 (0) - (H2S)2 0.000e+00 0.000e+00 -248.597 -248.585 0.012 30.48 + HS- 0.000e+00 0.000e+00 -123.253 -123.377 -0.124 20.29 + H2S 0.000e+00 0.000e+00 -123.611 -123.600 0.012 33.43 + S-2 0.000e+00 0.000e+00 -128.853 -129.296 -0.443 (0) + (H2S)2 0.000e+00 0.000e+00 -248.607 -248.595 0.012 30.48 S(6) 5.000e-02 SO4-2 3.463e-02 1.235e-02 -1.461 -1.908 -0.448 23.65 NaSO4- 1.537e-02 1.202e-02 -1.813 -1.920 -0.107 -5.97 @@ -1626,7 +1611,7 @@ S(6) 5.000e-02 H2S(g) -122.72 -130.68 -7.96 H2S Mirabilite -2.57 -4.28 -1.71 Na2SO4:10H2O O2(g) -12.03 -14.84 -2.81 O2 - Sulfur -91.38 -86.26 5.12 S + Sulfur -91.39 -86.26 5.12 S Thenardite -4.02 -4.27 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1664,7 +1649,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.307 Charge balance - pe = 11.234 Adjusted to redox equilibrium + pe = 11.231 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 7148 Density (g/cm³) = 1.00561 Volume (L) = 1.00149 @@ -1672,9 +1657,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.194e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.421e-17 + Total alkalinity (eq/kg) = 2.522e-18 Temperature (°C) = 15.00 - Electrical balance (eq) = 2.083e-12 + Electrical balance (eq) = 2.087e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1689,18 +1674,17 @@ Reaction 1. H+ 6.011e-08 4.932e-08 -7.221 -7.307 -0.086 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.199 -40.187 0.012 28.62 + H2 0.000e+00 0.000e+00 -40.193 -40.181 0.012 28.62 Na 1.001e-01 Na+ 8.472e-02 6.593e-02 -1.072 -1.181 -0.109 -1.64 NaSO4- 1.540e-02 1.204e-02 -1.812 -1.919 -0.107 -5.96 - NaOH 5.887e-19 6.051e-19 -18.230 -18.218 0.012 (0) -O(0) 8.760e-16 - O2 4.380e-16 4.502e-16 -15.359 -15.347 0.012 29.51 +O(0) 8.493e-16 + O2 4.246e-16 4.365e-16 -15.372 -15.360 0.012 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.235 -122.360 -0.124 20.29 - H2S 0.000e+00 0.000e+00 -122.594 -122.582 0.012 33.43 - S-2 0.000e+00 0.000e+00 -127.835 -128.278 -0.443 (0) - (H2S)2 0.000e+00 0.000e+00 -246.571 -246.560 0.012 30.48 + HS- 0.000e+00 0.000e+00 -122.208 -122.333 -0.124 20.29 + H2S 0.000e+00 0.000e+00 -122.567 -122.555 0.012 33.43 + S-2 0.000e+00 0.000e+00 -127.808 -128.251 -0.443 (0) + (H2S)2 0.000e+00 0.000e+00 -246.518 -246.506 0.012 30.48 S(6) 5.006e-02 SO4-2 3.466e-02 1.236e-02 -1.460 -1.908 -0.448 23.66 NaSO4- 1.540e-02 1.204e-02 -1.812 -1.919 -0.107 -5.96 @@ -1710,12 +1694,12 @@ S(6) 5.006e-02 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.11 -40.19 -3.07 H2 + H2(g) -37.11 -40.18 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -121.71 -129.67 -7.96 H2S + H2S(g) -121.68 -129.64 -7.96 H2S Mirabilite -2.57 -4.28 -1.71 Na2SO4:10H2O - O2(g) -12.53 -15.35 -2.81 O2 - Sulfur -90.62 -85.50 5.12 S + O2(g) -12.55 -15.36 -2.81 O2 + Sulfur -90.60 -85.48 5.12 S Thenardite -4.02 -4.27 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1753,7 +1737,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.307 Charge balance - pe = -1.498 Adjusted to redox equilibrium + pe = -1.499 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 7203 Density (g/cm³) = 1.00567 Volume (L) = 1.00150 @@ -1761,9 +1745,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.203e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.292e-17 + Total alkalinity (eq/kg) = 2.969e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 2.806e-14 + Electrical balance (eq) = 3.293e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1777,19 +1761,18 @@ Reaction 1. OH- 1.224e-07 9.187e-08 -6.912 -7.037 -0.125 -4.22 H+ 6.007e-08 4.927e-08 -7.221 -7.307 -0.086 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.03 -H(0) 3.675e-15 - H2 1.838e-15 1.889e-15 -14.736 -14.724 0.012 28.62 +H(0) 3.694e-15 + H2 1.847e-15 1.899e-15 -14.734 -14.722 0.012 28.62 Na 1.010e-01 Na+ 8.541e-02 6.643e-02 -1.069 -1.178 -0.109 -1.64 NaSO4- 1.559e-02 1.218e-02 -1.807 -1.914 -0.107 -5.91 - NaOH 5.936e-19 6.103e-19 -18.227 -18.214 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.286 -66.274 0.012 29.51 -S(-2) 6.004e-21 - HS- 4.178e-21 3.136e-21 -20.379 -20.504 -0.125 20.29 - H2S 1.826e-21 1.878e-21 -20.738 -20.726 0.012 33.43 - S-2 1.052e-26 3.784e-27 -25.978 -26.422 -0.444 (0) - (H2S)2 0.000e+00 0.000e+00 -42.861 -42.849 0.012 30.48 + O2 0.000e+00 0.000e+00 -66.290 -66.278 0.012 29.51 +S(-2) 6.126e-21 + HS- 4.262e-21 3.199e-21 -20.370 -20.495 -0.125 20.29 + H2S 1.864e-21 1.916e-21 -20.730 -20.718 0.012 33.43 + S-2 1.074e-26 3.861e-27 -25.969 -26.413 -0.444 (0) + (H2S)2 0.000e+00 0.000e+00 -42.843 -42.831 0.012 30.48 S(6) 5.050e-02 SO4-2 3.491e-02 1.241e-02 -1.457 -1.906 -0.449 23.70 NaSO4- 1.559e-02 1.218e-02 -1.807 -1.914 -0.107 -5.91 @@ -1801,10 +1784,10 @@ S(6) 5.050e-02 H2(g) -11.65 -14.72 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -19.85 -27.81 -7.96 H2S + H2S(g) -19.84 -27.80 -7.96 H2S Mirabilite -2.56 -4.27 -1.71 Na2SO4:10H2O - O2(g) -63.46 -66.27 -2.81 O2 - Sulfur -14.23 -9.11 5.12 S + O2(g) -63.47 -66.28 -2.81 O2 + Sulfur -14.22 -9.10 5.12 S Thenardite -4.01 -4.26 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1842,7 +1825,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.312 Charge balance - pe = -1.629 Adjusted to redox equilibrium + pe = -1.628 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 7822 Density (g/cm³) = 1.00631 Volume (L) = 1.00156 @@ -1850,9 +1833,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.309e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.611e-17 + Total alkalinity (eq/kg) = -1.388e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.920e-10 + Electrical balance (eq) = -1.929e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -1866,19 +1849,18 @@ Reaction 1. OH- 1.247e-07 9.282e-08 -6.904 -7.032 -0.128 -4.20 H+ 5.969e-08 4.875e-08 -7.224 -7.312 -0.088 0.00 H2O 5.551e+01 9.975e-01 1.744 -0.001 0.000 18.03 -H(0) 6.553e-15 - H2 3.276e-15 3.377e-15 -14.485 -14.472 0.013 28.62 +H(0) 6.537e-15 + H2 3.268e-15 3.368e-15 -14.486 -14.473 0.013 28.62 Na 1.111e-01 Na+ 9.320e-02 7.207e-02 -1.031 -1.142 -0.112 -1.62 NaSO4- 1.786e-02 1.386e-02 -1.748 -1.858 -0.110 -5.41 - NaOH 6.490e-19 6.689e-19 -18.188 -18.175 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.791 -66.778 0.013 29.51 -S(-2) 6.379e-20 - HS- 4.468e-20 3.325e-20 -19.350 -19.478 -0.128 20.31 - H2S 1.912e-20 1.970e-20 -19.719 -19.706 0.013 33.43 - S-2 1.159e-25 4.055e-26 -24.936 -25.392 -0.456 (0) - (H2S)2 0.000e+00 0.000e+00 -40.820 -40.807 0.013 30.48 + O2 0.000e+00 0.000e+00 -66.789 -66.776 0.013 29.51 +S(-2) 6.317e-20 + HS- 4.424e-20 3.292e-20 -19.354 -19.483 -0.128 20.31 + H2S 1.893e-20 1.951e-20 -19.723 -19.710 0.013 33.43 + S-2 1.148e-25 4.015e-26 -24.940 -25.396 -0.456 (0) + (H2S)2 0.000e+00 0.000e+00 -40.829 -40.815 0.013 30.48 S(6) 5.553e-02 SO4-2 3.767e-02 1.302e-02 -1.424 -1.885 -0.461 24.12 NaSO4- 1.786e-02 1.386e-02 -1.748 -1.858 -0.110 -5.41 @@ -1892,8 +1874,8 @@ S(6) 5.553e-02 H2O(g) -1.77 -0.00 1.77 H2O H2S(g) -18.83 -26.79 -7.96 H2S Mirabilite -2.47 -4.18 -1.71 Na2SO4:10H2O - O2(g) -63.97 -66.78 -2.81 O2 - Sulfur -13.46 -8.34 5.12 S + O2(g) -63.96 -66.78 -2.81 O2 + Sulfur -13.47 -8.34 5.12 S Thenardite -3.92 -4.17 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1931,7 +1913,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.316 Charge balance - pe = -1.465 Adjusted to redox equilibrium + pe = -1.467 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 8372 Density (g/cm³) = 1.00690 Volume (L) = 1.00162 @@ -1939,9 +1921,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.403e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.441e-17 + Total alkalinity (eq/kg) = 2.886e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.368e-13 + Electrical balance (eq) = 1.716e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -1955,19 +1937,18 @@ Reaction 1. OH- 1.267e-07 9.361e-08 -6.897 -7.029 -0.132 -4.18 H+ 5.938e-08 4.833e-08 -7.226 -7.316 -0.089 0.00 H2O 5.551e+01 9.973e-01 1.744 -0.001 0.000 18.03 -H(0) 3.020e-15 - H2 1.510e-15 1.559e-15 -14.821 -14.807 0.014 28.62 +H(0) 3.051e-15 + H2 1.526e-15 1.576e-15 -14.817 -14.803 0.014 28.62 Na 1.201e-01 Na+ 1.002e-01 7.708e-02 -0.999 -1.113 -0.114 -1.61 NaSO4- 1.996e-02 1.541e-02 -1.700 -1.812 -0.112 -4.98 - NaOH 6.986e-19 7.215e-19 -18.156 -18.142 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.122 -66.108 0.014 29.51 -S(-2) 2.999e-21 - HS- 2.112e-21 1.560e-21 -20.675 -20.807 -0.132 20.32 - H2S 8.873e-22 9.164e-22 -21.052 -21.038 0.014 33.43 - S-2 5.614e-27 1.919e-27 -26.251 -26.717 -0.466 (0) - (H2S)2 0.000e+00 0.000e+00 -43.486 -43.472 0.014 30.48 + O2 0.000e+00 0.000e+00 -66.131 -66.117 0.014 29.51 +S(-2) 3.126e-21 + HS- 2.201e-21 1.626e-21 -20.657 -20.789 -0.132 20.32 + H2S 9.248e-22 9.552e-22 -21.034 -21.020 0.014 33.43 + S-2 5.852e-27 2.000e-27 -26.233 -26.699 -0.466 (0) + (H2S)2 0.000e+00 0.000e+00 -43.450 -43.436 0.014 30.48 S(6) 6.007e-02 SO4-2 4.011e-02 1.353e-02 -1.397 -1.869 -0.472 24.49 NaSO4- 1.996e-02 1.541e-02 -1.700 -1.812 -0.112 -4.98 @@ -1977,12 +1958,12 @@ S(6) 6.007e-02 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.73 -14.81 -3.07 H2 + H2(g) -11.73 -14.80 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -20.16 -28.12 -7.96 H2S + H2S(g) -20.14 -28.10 -7.96 H2S Mirabilite -2.40 -4.11 -1.71 Na2SO4:10H2O - O2(g) -63.30 -66.11 -2.81 O2 - Sulfur -14.46 -9.34 5.12 S + O2(g) -63.30 -66.12 -2.81 O2 + Sulfur -14.45 -9.32 5.12 S Thenardite -3.84 -4.09 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2020,7 +2001,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.318 Charge balance - pe = -1.336 Adjusted to redox equilibrium + pe = -1.332 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 8642 Density (g/cm³) = 1.00719 Volume (L) = 1.00165 @@ -2028,11 +2009,11 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.449e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.375e-17 + Total alkalinity (eq/kg) = 2.551e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.689e-11 + Electrical balance (eq) = 2.415e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.575552e+01 @@ -2044,19 +2025,18 @@ Reaction 1. OH- 1.277e-07 9.398e-08 -6.894 -7.027 -0.133 -4.17 H+ 5.923e-08 4.814e-08 -7.227 -7.318 -0.090 0.00 H2O 5.551e+01 9.972e-01 1.744 -0.001 0.000 18.03 -H(0) 1.650e-15 - H2 8.248e-16 8.528e-16 -15.084 -15.069 0.014 28.62 +H(0) 1.626e-15 + H2 8.130e-16 8.406e-16 -15.090 -15.075 0.014 28.62 Na 1.247e-01 Na+ 1.036e-01 7.956e-02 -0.985 -1.099 -0.115 -1.60 NaSO4- 2.103e-02 1.620e-02 -1.677 -1.791 -0.113 -4.78 - NaOH 7.231e-19 7.476e-19 -18.141 -18.126 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.598 -65.583 0.014 29.51 -S(-2) 2.723e-22 - HS- 1.922e-22 1.415e-22 -21.716 -21.849 -0.133 20.32 - H2S 8.006e-23 8.278e-23 -22.097 -22.082 0.014 33.43 - S-2 5.169e-28 1.748e-28 -27.287 -27.758 -0.471 (0) - (H2S)2 0.000e+00 0.000e+00 -45.575 -45.560 0.014 30.48 + O2 0.000e+00 0.000e+00 -65.585 -65.571 0.014 29.51 +S(-2) 2.570e-22 + HS- 1.814e-22 1.336e-22 -21.741 -21.874 -0.133 20.32 + H2S 7.558e-23 7.815e-23 -22.122 -22.107 0.014 33.43 + S-2 4.879e-28 1.650e-28 -27.312 -27.783 -0.471 (0) + (H2S)2 0.000e+00 0.000e+00 -45.625 -45.610 0.014 30.48 S(6) 6.233e-02 SO4-2 4.130e-02 1.378e-02 -1.384 -1.861 -0.477 24.66 NaSO4- 2.103e-02 1.620e-02 -1.677 -1.791 -0.113 -4.78 @@ -2066,12 +2046,12 @@ S(6) 6.233e-02 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -12.00 -15.07 -3.07 H2 + H2(g) -12.00 -15.08 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -21.21 -29.17 -7.96 H2S + H2S(g) -21.23 -29.19 -7.96 H2S Mirabilite -2.36 -4.07 -1.71 Na2SO4:10H2O - O2(g) -62.77 -65.58 -2.81 O2 - Sulfur -15.24 -10.12 5.12 S + O2(g) -62.76 -65.57 -2.81 O2 + Sulfur -15.26 -10.14 5.12 S Thenardite -3.81 -4.06 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2109,7 +2089,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.329 Charge balance - pe = -1.307 Adjusted to redox equilibrium + pe = -1.289 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 10691 Density (g/cm³) = 1.00943 Volume (L) = 1.00190 @@ -2117,11 +2097,11 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.802e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.235e-16 + Total alkalinity (eq/kg) = -1.304e-16 Temperature (°C) = 15.00 - Electrical balance (eq) = -6.296e-11 + Electrical balance (eq) = -3.572e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.582575e+01 @@ -2133,19 +2113,18 @@ Reaction 1. OH- 1.342e-07 9.647e-08 -6.872 -7.016 -0.143 -4.09 H+ 5.827e-08 4.686e-08 -7.235 -7.329 -0.095 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.03 -H(0) 1.357e-15 - H2 6.783e-16 7.070e-16 -15.169 -15.151 0.018 28.62 +H(0) 1.250e-15 + H2 6.251e-16 6.516e-16 -15.204 -15.186 0.018 28.62 Na 1.598e-01 Na+ 1.300e-01 9.837e-02 -0.886 -1.007 -0.121 -1.54 NaSO4- 2.974e-02 2.252e-02 -1.527 -1.647 -0.121 -3.38 - NaOH 9.104e-19 9.489e-19 -18.041 -18.023 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.439 -65.421 0.018 29.51 -S(-2) 1.422e-22 - HS- 1.021e-22 7.341e-23 -21.991 -22.134 -0.143 20.36 - H2S 4.011e-23 4.181e-23 -22.397 -22.379 0.018 33.43 - S-2 2.965e-28 9.314e-29 -27.528 -28.031 -0.503 (0) - (H2S)2 0.000e+00 0.000e+00 -46.171 -46.153 0.018 30.48 + O2 0.000e+00 0.000e+00 -65.368 -65.350 0.018 29.51 +S(-2) 1.026e-22 + HS- 7.364e-23 5.294e-23 -22.133 -22.276 -0.143 20.36 + H2S 2.892e-23 3.015e-23 -22.539 -22.521 0.018 33.43 + S-2 2.138e-28 6.717e-29 -27.670 -28.173 -0.503 (0) + (H2S)2 0.000e+00 0.000e+00 -46.455 -46.437 0.018 30.48 S(6) 7.988e-02 SO4-2 5.015e-02 1.549e-02 -1.300 -1.810 -0.510 25.91 NaSO4- 2.974e-02 2.252e-02 -1.527 -1.647 -0.121 -3.38 @@ -2155,12 +2134,12 @@ S(6) 7.988e-02 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -12.08 -15.15 -3.07 H2 + H2(g) -12.11 -15.19 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -21.50 -29.46 -7.96 H2S + H2S(g) -21.65 -29.61 -7.96 H2S Mirabilite -2.13 -3.84 -1.71 Na2SO4:10H2O - O2(g) -62.61 -65.42 -2.81 O2 - Sulfur -15.46 -10.33 5.12 S + O2(g) -62.54 -65.35 -2.81 O2 + Sulfur -15.56 -10.44 5.12 S Thenardite -3.57 -3.82 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2198,7 +2177,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.329 Charge balance - pe = 11.217 Adjusted to redox equilibrium + pe = 11.214 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 10715 Density (g/cm³) = 1.00945 Volume (L) = 1.00190 @@ -2206,9 +2185,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.806e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.086e-17 + Total alkalinity (eq/kg) = 3.571e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.918e-12 + Electrical balance (eq) = 1.901e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2223,18 +2202,17 @@ Reaction 1. H+ 5.826e-08 4.684e-08 -7.235 -7.329 -0.095 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.216 -40.198 0.018 28.62 + H2 0.000e+00 0.000e+00 -40.210 -40.192 0.018 28.62 Na 1.602e-01 Na+ 1.303e-01 9.858e-02 -0.885 -1.006 -0.121 -1.54 NaSO4- 2.984e-02 2.259e-02 -1.525 -1.646 -0.121 -3.37 - NaOH 9.125e-19 9.513e-19 -18.040 -18.022 0.018 (0) -O(0) 9.052e-16 - O2 4.526e-16 4.718e-16 -15.344 -15.326 0.018 29.51 +O(0) 8.792e-16 + O2 4.396e-16 4.582e-16 -15.357 -15.339 0.018 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.180 -122.324 -0.143 20.36 - H2S 0.000e+00 0.000e+00 -122.587 -122.569 0.018 33.43 - S-2 0.000e+00 0.000e+00 -127.717 -128.220 -0.503 (0) - (H2S)2 0.000e+00 0.000e+00 -246.551 -246.533 0.018 30.48 + HS- 0.000e+00 0.000e+00 -122.155 -122.299 -0.143 20.36 + H2S 0.000e+00 0.000e+00 -122.561 -122.543 0.018 33.43 + S-2 0.000e+00 0.000e+00 -127.692 -128.195 -0.503 (0) + (H2S)2 0.000e+00 0.000e+00 -246.500 -246.482 0.018 30.48 S(6) 8.009e-02 SO4-2 5.025e-02 1.551e-02 -1.299 -1.809 -0.510 25.92 NaSO4- 2.984e-02 2.259e-02 -1.525 -1.646 -0.121 -3.37 @@ -2244,12 +2222,12 @@ S(6) 8.009e-02 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.13 -40.20 -3.07 H2 + H2(g) -37.12 -40.19 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -121.69 -129.65 -7.96 H2S + H2S(g) -121.67 -129.63 -7.96 H2S Mirabilite -2.13 -3.84 -1.71 Na2SO4:10H2O - O2(g) -12.51 -15.33 -2.81 O2 - Sulfur -90.60 -85.48 5.12 S + O2(g) -12.53 -15.34 -2.81 O2 + Sulfur -90.58 -85.46 5.12 S Thenardite -3.57 -3.82 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2295,9 +2273,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.185e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.739e-17 + Total alkalinity (eq/kg) = 1.294e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 8.294e-13 + Electrical balance (eq) = 8.264e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2316,7 +2294,6 @@ H(0) 0.000e+00 Na 1.994e-01 Na+ 1.591e-01 1.189e-01 -0.798 -0.925 -0.127 -1.48 NaSO4- 4.029e-02 3.005e-02 -1.395 -1.522 -0.127 -2.09 - NaOH 1.115e-18 1.173e-18 -17.953 -17.931 0.022 (0) O(0) 1.382e-15 O2 6.908e-16 7.265e-16 -15.161 -15.139 0.022 29.51 S(-2) 0.000e+00 @@ -2376,7 +2353,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.339 Charge balance - pe = -1.481 Adjusted to redox equilibrium + pe = -1.489 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 12935 Density (g/cm³) = 1.01198 Volume (L) = 1.00220 @@ -2384,9 +2361,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.191e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.999e-17 + Total alkalinity (eq/kg) = 1.250e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 3.816e-15 + Electrical balance (eq) = 7.355e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2400,19 +2377,18 @@ Reaction 1. OH- 1.403e-07 9.868e-08 -6.853 -7.006 -0.153 -4.01 H+ 5.746e-08 4.577e-08 -7.241 -7.339 -0.099 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.03 -H(0) 2.867e-15 - H2 1.433e-15 1.508e-15 -14.844 -14.822 0.022 28.62 +H(0) 2.970e-15 + H2 1.485e-15 1.562e-15 -14.828 -14.806 0.022 28.62 Na 2.000e-01 Na+ 1.595e-01 1.192e-01 -0.797 -0.924 -0.127 -1.48 NaSO4- 4.047e-02 3.017e-02 -1.393 -1.520 -0.128 -2.07 - NaOH 1.118e-18 1.176e-18 -17.951 -17.930 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.102 -66.080 0.022 29.51 -S(-2) 3.208e-21 - HS- 2.339e-21 1.645e-21 -20.631 -20.784 -0.153 20.40 - H2S 8.698e-22 9.148e-22 -21.061 -21.039 0.022 33.43 - S-2 7.275e-27 2.136e-27 -26.138 -26.670 -0.532 (0) - (H2S)2 0.000e+00 0.000e+00 -43.495 -43.473 0.022 30.48 + O2 0.000e+00 0.000e+00 -66.132 -66.110 0.022 29.51 +S(-2) 3.698e-21 + HS- 2.695e-21 1.895e-21 -20.569 -20.722 -0.153 20.40 + H2S 1.002e-21 1.054e-21 -20.999 -20.977 0.022 33.43 + S-2 8.384e-27 2.462e-27 -26.077 -26.609 -0.532 (0) + (H2S)2 0.000e+00 0.000e+00 -43.372 -43.350 0.022 30.48 S(6) 1.000e-01 SO4-2 5.953e-02 1.713e-02 -1.225 -1.766 -0.541 27.13 NaSO4- 4.047e-02 3.017e-02 -1.393 -1.520 -0.128 -2.07 @@ -2422,12 +2398,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.75 -14.82 -3.07 H2 + H2(g) -11.73 -14.81 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -20.16 -28.12 -7.96 H2S + H2S(g) -20.10 -28.06 -7.96 H2S Mirabilite -1.93 -3.63 -1.71 Na2SO4:10H2O - O2(g) -63.27 -66.08 -2.81 O2 - Sulfur -14.45 -9.32 5.12 S + O2(g) -63.30 -66.11 -2.81 O2 + Sulfur -14.40 -9.28 5.12 S Thenardite -3.36 -3.61 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2465,7 +2441,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.340 Charge balance - pe = -1.537 Adjusted to redox equilibrium + pe = -1.531 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 12955 Density (g/cm³) = 1.01201 Volume (L) = 1.00220 @@ -2473,9 +2449,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.194e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.897e-17 + Total alkalinity (eq/kg) = -6.562e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -8.599e-10 + Electrical balance (eq) = -9.791e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -2489,19 +2465,18 @@ Reaction 1. OH- 1.404e-07 9.870e-08 -6.853 -7.006 -0.153 -4.01 H+ 5.745e-08 4.576e-08 -7.241 -7.340 -0.099 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.03 -H(0) 3.711e-15 - H2 1.855e-15 1.952e-15 -14.732 -14.710 0.022 28.62 +H(0) 3.602e-15 + H2 1.801e-15 1.894e-15 -14.744 -14.723 0.022 28.62 Na 2.004e-01 Na+ 1.598e-01 1.194e-01 -0.796 -0.923 -0.127 -1.48 NaSO4- 4.057e-02 3.025e-02 -1.392 -1.519 -0.128 -2.06 - NaOH 1.120e-18 1.178e-18 -17.951 -17.929 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.326 -66.304 0.022 29.51 -S(-2) 9.016e-21 - HS- 6.573e-21 4.621e-21 -20.182 -20.335 -0.153 20.40 - H2S 2.444e-21 2.570e-21 -20.612 -20.590 0.022 33.43 - S-2 2.046e-26 6.004e-27 -25.689 -26.222 -0.532 (0) - (H2S)2 0.000e+00 0.000e+00 -42.598 -42.576 0.022 30.48 + O2 0.000e+00 0.000e+00 -66.300 -66.278 0.022 29.51 +S(-2) 8.006e-21 + HS- 5.836e-21 4.103e-21 -20.234 -20.387 -0.153 20.40 + H2S 2.170e-21 2.282e-21 -20.664 -20.642 0.022 33.43 + S-2 1.816e-26 5.331e-27 -25.741 -26.273 -0.532 (0) + (H2S)2 0.000e+00 0.000e+00 -42.701 -42.679 0.022 30.48 S(6) 1.002e-01 SO4-2 5.962e-02 1.715e-02 -1.225 -1.766 -0.541 27.14 NaSO4- 4.057e-02 3.025e-02 -1.392 -1.519 -0.128 -2.06 @@ -2511,12 +2486,12 @@ S(6) 1.002e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.64 -14.71 -3.07 H2 + H2(g) -11.65 -14.72 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -19.71 -27.67 -7.96 H2S + H2S(g) -19.77 -27.73 -7.96 H2S Mirabilite -1.92 -3.63 -1.71 Na2SO4:10H2O - O2(g) -63.49 -66.30 -2.81 O2 - Sulfur -14.11 -8.99 5.12 S + O2(g) -63.47 -66.28 -2.81 O2 + Sulfur -14.15 -9.02 5.12 S Thenardite -3.36 -3.61 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2554,7 +2529,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.340 Charge balance - pe = 11.161 Adjusted to redox equilibrium + pe = 11.148 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 12971 Density (g/cm³) = 1.01202 Volume (L) = 1.00220 @@ -2562,9 +2537,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.197e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.035e-18 + Total alkalinity (eq/kg) = 2.351e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.037e-12 + Electrical balance (eq) = 1.009e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2579,18 +2554,17 @@ Reaction 1. H+ 5.745e-08 4.575e-08 -7.241 -7.340 -0.099 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.128 -40.106 0.022 28.62 + H2 0.000e+00 0.000e+00 -40.103 -40.081 0.022 28.62 Na 2.007e-01 Na+ 1.600e-01 1.195e-01 -0.796 -0.923 -0.127 -1.48 NaSO4- 4.065e-02 3.030e-02 -1.391 -1.519 -0.128 -2.05 - NaOH 1.122e-18 1.180e-18 -17.950 -17.928 0.022 (0) -O(0) 5.854e-16 - O2 2.927e-16 3.079e-16 -15.534 -15.512 0.022 29.51 +O(0) 5.215e-16 + O2 2.608e-16 2.743e-16 -15.584 -15.562 0.022 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -121.767 -121.920 -0.153 20.40 - H2S 0.000e+00 0.000e+00 -122.196 -122.174 0.022 33.43 - S-2 0.000e+00 0.000e+00 -127.273 -127.806 -0.533 (0) - (H2S)2 0.000e+00 0.000e+00 -245.767 -245.745 0.022 30.48 + HS- 0.000e+00 0.000e+00 -121.666 -121.819 -0.153 20.40 + H2S 0.000e+00 0.000e+00 -122.096 -122.074 0.022 33.43 + S-2 0.000e+00 0.000e+00 -127.173 -127.705 -0.533 (0) + (H2S)2 0.000e+00 0.000e+00 -245.566 -245.544 0.022 30.48 S(6) 1.003e-01 SO4-2 5.968e-02 1.716e-02 -1.224 -1.766 -0.541 27.15 NaSO4- 4.065e-02 3.030e-02 -1.391 -1.519 -0.128 -2.05 @@ -2600,12 +2574,12 @@ S(6) 1.003e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.03 -40.11 -3.07 H2 + H2(g) -37.01 -40.08 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -121.30 -129.26 -7.96 H2S + H2S(g) -121.20 -129.16 -7.96 H2S Mirabilite -1.92 -3.63 -1.71 Na2SO4:10H2O - O2(g) -12.70 -15.51 -2.81 O2 - Sulfur -90.30 -85.17 5.12 S + O2(g) -12.75 -15.56 -2.81 O2 + Sulfur -90.22 -85.10 5.12 S Thenardite -3.36 -3.61 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2643,7 +2617,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.348 Charge balance - pe = -1.644 Adjusted to redox equilibrium + pe = -1.648 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 15318 Density (g/cm³) = 1.01479 Volume (L) = 1.00254 @@ -2651,9 +2625,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.607e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.117e-17 + Total alkalinity (eq/kg) = 3.403e-18 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.386e-12 + Electrical balance (eq) = -1.018e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -2667,19 +2641,18 @@ Reaction 1. OH- 1.460e-07 1.006e-07 -6.836 -6.997 -0.162 -3.93 H+ 5.678e-08 4.486e-08 -7.246 -7.348 -0.102 0.00 H2O 5.551e+01 9.947e-01 1.744 -0.002 0.000 18.03 -H(0) 5.773e-15 - H2 2.886e-15 3.065e-15 -14.540 -14.514 0.026 28.62 +H(0) 5.884e-15 + H2 2.942e-15 3.124e-15 -14.531 -14.505 0.026 28.62 Na 2.447e-01 Na+ 1.915e-01 1.416e-01 -0.718 -0.849 -0.131 -1.42 NaSO4- 5.314e-02 3.907e-02 -1.275 -1.408 -0.134 -0.85 - NaOH 1.342e-18 1.425e-18 -17.872 -17.846 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.723 -66.697 0.026 29.51 -S(-2) 5.917e-20 - HS- 4.370e-20 3.012e-20 -19.360 -19.521 -0.162 20.43 - H2S 1.546e-20 1.642e-20 -19.811 -19.785 0.026 33.43 - S-2 1.444e-25 3.992e-26 -24.840 -25.399 -0.559 (0) - (H2S)2 0.000e+00 0.000e+00 -40.991 -40.965 0.026 30.48 + O2 0.000e+00 0.000e+00 -66.739 -66.713 0.026 29.51 +S(-2) 6.385e-20 + HS- 4.716e-20 3.250e-20 -19.326 -19.488 -0.162 20.43 + H2S 1.669e-20 1.772e-20 -19.778 -19.752 0.026 33.43 + S-2 1.559e-25 4.308e-26 -24.807 -25.366 -0.559 (0) + (H2S)2 0.000e+00 0.000e+00 -40.925 -40.899 0.026 30.48 S(6) 1.223e-01 SO4-2 6.919e-02 1.867e-02 -1.160 -1.729 -0.569 28.32 NaSO4- 5.314e-02 3.907e-02 -1.275 -1.408 -0.134 -0.85 @@ -2689,12 +2662,12 @@ S(6) 1.223e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.44 -14.51 -3.07 H2 + H2(g) -11.43 -14.51 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -18.91 -26.87 -7.96 H2S + H2S(g) -18.88 -26.84 -7.96 H2S Mirabilite -1.74 -3.45 -1.71 Na2SO4:10H2O - O2(g) -63.88 -66.70 -2.81 O2 - Sulfur -13.50 -8.38 5.12 S + O2(g) -63.90 -66.71 -2.81 O2 + Sulfur -13.48 -8.35 5.12 S Thenardite -3.17 -3.43 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2732,7 +2705,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.354 Charge balance - pe = -1.634 Adjusted to redox equilibrium + pe = -1.644 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 17121 Density (g/cm³) = 1.01699 Volume (L) = 1.00283 @@ -2740,9 +2713,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.925e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.168e-17 + Total alkalinity (eq/kg) = 4.423e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -3.925e-12 + Electrical balance (eq) = -2.791e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -2756,19 +2729,18 @@ Reaction 1. OH- 1.497e-07 1.018e-07 -6.825 -6.992 -0.168 -3.87 H+ 5.637e-08 4.429e-08 -7.249 -7.354 -0.105 0.00 H2O 5.551e+01 9.939e-01 1.744 -0.003 0.000 18.03 -H(0) 5.347e-15 - H2 2.673e-15 2.860e-15 -14.573 -14.544 0.029 28.62 +H(0) 5.583e-15 + H2 2.792e-15 2.986e-15 -14.554 -14.525 0.029 28.62 Na 2.797e-01 Na+ 2.162e-01 1.589e-01 -0.665 -0.799 -0.134 -1.39 NaSO4- 6.354e-02 4.629e-02 -1.197 -1.335 -0.138 -0.02 - NaOH 1.512e-18 1.618e-18 -17.820 -17.791 0.029 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.666 -66.637 0.029 29.51 -S(-2) 4.711e-20 - HS- 3.510e-20 2.386e-20 -19.455 -19.622 -0.168 20.46 - H2S 1.201e-20 1.285e-20 -19.920 -19.891 0.029 33.43 - S-2 1.207e-25 3.203e-26 -24.918 -25.494 -0.576 (0) - (H2S)2 0.000e+00 0.000e+00 -41.208 -41.178 0.029 30.48 + O2 0.000e+00 0.000e+00 -66.704 -66.675 0.029 29.51 +S(-2) 5.601e-20 + HS- 4.173e-20 2.837e-20 -19.380 -19.547 -0.168 20.46 + H2S 1.428e-20 1.527e-20 -19.845 -19.816 0.029 33.43 + S-2 1.435e-25 3.809e-26 -24.843 -25.419 -0.576 (0) + (H2S)2 0.000e+00 0.000e+00 -41.057 -41.028 0.029 30.48 S(6) 1.398e-01 SO4-2 7.631e-02 1.972e-02 -1.117 -1.705 -0.588 29.15 NaSO4- 6.354e-02 4.629e-02 -1.197 -1.335 -0.138 -0.02 @@ -2778,12 +2750,12 @@ S(6) 1.398e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.47 -14.54 -3.07 H2 + H2(g) -11.45 -14.52 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -19.02 -26.98 -7.96 H2S + H2S(g) -18.94 -26.90 -7.96 H2S Mirabilite -1.62 -3.33 -1.71 Na2SO4:10H2O - O2(g) -63.82 -66.64 -2.81 O2 - Sulfur -13.58 -8.45 5.12 S + O2(g) -63.86 -66.67 -2.81 O2 + Sulfur -13.52 -8.40 5.12 S Thenardite -3.05 -3.30 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2821,7 +2793,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.354 Charge balance - pe = -1.621 Adjusted to redox equilibrium + pe = -1.619 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 17187 Density (g/cm³) = 1.01707 Volume (L) = 1.00284 @@ -2829,9 +2801,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.936e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.075e-17 + Total alkalinity (eq/kg) = 4.181e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -5.068e-12 + Electrical balance (eq) = -6.000e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -2845,19 +2817,18 @@ Reaction 1. OH- 1.499e-07 1.018e-07 -6.824 -6.992 -0.168 -3.87 H+ 5.635e-08 4.427e-08 -7.249 -7.354 -0.105 0.00 H2O 5.551e+01 9.939e-01 1.744 -0.003 0.000 18.03 -H(0) 5.020e-15 - H2 2.510e-15 2.686e-15 -14.600 -14.571 0.029 28.62 +H(0) 4.975e-15 + H2 2.488e-15 2.662e-15 -14.604 -14.575 0.029 28.62 Na 2.810e-01 Na+ 2.171e-01 1.595e-01 -0.663 -0.797 -0.134 -1.38 NaSO4- 6.393e-02 4.656e-02 -1.194 -1.332 -0.138 0.01 - NaOH 1.519e-18 1.625e-18 -17.819 -17.789 0.029 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.612 -66.583 0.029 29.51 -S(-2) 3.672e-20 - HS- 2.737e-20 1.860e-20 -19.563 -19.731 -0.168 20.46 - H2S 9.354e-21 1.001e-20 -20.029 -20.000 0.029 33.43 - S-2 9.423e-26 2.498e-26 -25.026 -25.602 -0.577 (0) - (H2S)2 0.000e+00 0.000e+00 -41.425 -41.395 0.029 30.48 + O2 0.000e+00 0.000e+00 -66.604 -66.575 0.029 29.51 +S(-2) 3.543e-20 + HS- 2.640e-20 1.794e-20 -19.578 -19.746 -0.168 20.46 + H2S 9.023e-21 9.654e-21 -20.045 -20.015 0.029 33.43 + S-2 9.090e-26 2.409e-26 -25.041 -25.618 -0.577 (0) + (H2S)2 0.000e+00 0.000e+00 -41.456 -41.426 0.029 30.48 S(6) 1.405e-01 SO4-2 7.657e-02 1.975e-02 -1.116 -1.704 -0.588 29.18 NaSO4- 6.393e-02 4.656e-02 -1.194 -1.332 -0.138 0.01 @@ -2869,10 +2840,10 @@ S(6) 1.405e-01 H2(g) -11.50 -14.57 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -19.12 -27.08 -7.96 H2S + H2S(g) -19.14 -27.10 -7.96 H2S Mirabilite -1.62 -3.33 -1.71 Na2SO4:10H2O - O2(g) -63.77 -66.58 -2.81 O2 - Sulfur -13.66 -8.53 5.12 S + O2(g) -63.76 -66.57 -2.81 O2 + Sulfur -13.67 -8.55 5.12 S Thenardite -3.05 -3.30 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2910,7 +2881,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.359 Charge balance - pe = 11.285 Adjusted to redox equilibrium + pe = 11.281 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 19151 Density (g/cm³) = 1.01953 Volume (L) = 1.00317 @@ -2918,9 +2889,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.285e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.705e-18 + Total alkalinity (eq/kg) = 1.944e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -2.370e-14 + Electrical balance (eq) = -2.379e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -2935,18 +2906,17 @@ Reaction 1. H+ 5.598e-08 4.375e-08 -7.252 -7.359 -0.107 0.00 H2O 5.551e+01 9.931e-01 1.744 -0.003 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.427 -40.394 0.033 28.62 + H2 0.000e+00 0.000e+00 -40.417 -40.384 0.033 28.62 Na 3.204e-01 Na+ 2.443e-01 1.786e-01 -0.612 -0.748 -0.136 -1.34 NaSO4- 7.606e-02 5.490e-02 -1.119 -1.260 -0.142 0.85 - NaOH 1.705e-18 1.839e-18 -17.768 -17.735 0.033 (0) -O(0) 2.139e-15 - O2 1.070e-15 1.154e-15 -14.971 -14.938 0.033 29.51 +O(0) 2.051e-15 + O2 1.025e-15 1.106e-15 -14.989 -14.956 0.033 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.829 -123.003 -0.174 20.49 - H2S 0.000e+00 0.000e+00 -123.310 -123.277 0.033 33.43 - S-2 0.000e+00 0.000e+00 -128.276 -128.870 -0.594 (0) - (H2S)2 0.000e+00 0.000e+00 -247.983 -247.950 0.033 30.48 + HS- 0.000e+00 0.000e+00 -122.792 -122.966 -0.174 20.49 + H2S 0.000e+00 0.000e+00 -123.273 -123.240 0.033 33.43 + S-2 0.000e+00 0.000e+00 -128.239 -128.833 -0.594 (0) + (H2S)2 0.000e+00 0.000e+00 -247.909 -247.877 0.033 30.48 S(6) 1.602e-01 SO4-2 8.414e-02 2.080e-02 -1.075 -1.682 -0.607 30.04 NaSO4- 7.606e-02 5.490e-02 -1.119 -1.260 -0.142 0.85 @@ -2956,12 +2926,12 @@ S(6) 1.602e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.32 -40.39 -3.07 H2 + H2(g) -37.31 -40.38 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -122.40 -130.36 -7.96 H2S + H2S(g) -122.37 -130.33 -7.96 H2S Mirabilite -1.50 -3.21 -1.71 Na2SO4:10H2O - O2(g) -12.13 -14.94 -2.81 O2 - Sulfur -91.11 -85.99 5.12 S + O2(g) -12.14 -14.96 -2.81 O2 + Sulfur -91.08 -85.96 5.12 S Thenardite -2.93 -3.18 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2999,7 +2969,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.360 Charge balance - pe = -1.654 Adjusted to redox equilibrium + pe = -1.666 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 19496 Density (g/cm³) = 1.01997 Volume (L) = 1.00323 @@ -3007,9 +2977,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.346e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.043e-16 + Total alkalinity (eq/kg) = -2.064e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.389e-12 + Electrical balance (eq) = -1.713e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3023,19 +2993,18 @@ Reaction 1. OH- 1.542e-07 1.031e-07 -6.812 -6.987 -0.175 -3.79 H+ 5.593e-08 4.367e-08 -7.252 -7.360 -0.107 0.00 H2O 5.551e+01 9.930e-01 1.744 -0.003 0.000 18.03 -H(0) 5.637e-15 - H2 2.818e-15 3.044e-15 -14.550 -14.517 0.033 28.62 +H(0) 5.954e-15 + H2 2.977e-15 3.215e-15 -14.526 -14.493 0.033 28.62 Na 3.275e-01 Na+ 2.492e-01 1.820e-01 -0.603 -0.740 -0.136 -1.34 NaSO4- 7.827e-02 5.641e-02 -1.106 -1.249 -0.142 0.99 - NaOH 1.738e-18 1.878e-18 -17.760 -17.726 0.033 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.726 -66.692 0.033 29.51 -S(-2) 6.410e-20 - HS- 4.824e-20 3.227e-20 -19.317 -19.491 -0.175 20.49 - H2S 1.586e-20 1.713e-20 -19.800 -19.766 0.033 33.43 - S-2 1.736e-25 4.393e-26 -24.761 -25.357 -0.597 (0) - (H2S)2 0.000e+00 0.000e+00 -40.962 -40.928 0.033 30.48 + O2 0.000e+00 0.000e+00 -66.773 -66.740 0.033 29.51 +S(-2) 7.978e-20 + HS- 6.004e-20 4.016e-20 -19.222 -19.396 -0.175 20.49 + H2S 1.974e-20 2.132e-20 -19.705 -19.671 0.033 33.43 + S-2 2.160e-25 5.468e-26 -24.665 -25.262 -0.597 (0) + (H2S)2 0.000e+00 0.000e+00 -40.772 -40.738 0.033 30.48 S(6) 1.637e-01 SO4-2 8.546e-02 2.097e-02 -1.068 -1.678 -0.610 30.19 NaSO4- 7.827e-02 5.641e-02 -1.106 -1.249 -0.142 0.99 @@ -3045,12 +3014,12 @@ S(6) 1.637e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.44 -14.52 -3.07 H2 + H2(g) -11.42 -14.49 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -18.89 -26.85 -7.96 H2S + H2S(g) -18.80 -26.76 -7.96 H2S Mirabilite -1.48 -3.19 -1.71 Na2SO4:10H2O - O2(g) -63.88 -66.69 -2.81 O2 - Sulfur -13.48 -8.35 5.12 S + O2(g) -63.93 -66.74 -2.81 O2 + Sulfur -13.41 -8.28 5.12 S Thenardite -2.91 -3.16 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3088,7 +3057,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.363 Charge balance - pe = -1.702 Adjusted to redox equilibrium + pe = -1.706 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 21063 Density (g/cm³) = 1.02198 Volume (L) = 1.00351 @@ -3096,9 +3065,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.627e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.675e-17 + Total alkalinity (eq/kg) = -4.107e-18 Temperature (°C) = 15.00 - Electrical balance (eq) = -8.231e-13 + Electrical balance (eq) = -9.046e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3112,19 +3081,18 @@ Reaction 1. OH- 1.568e-07 1.039e-07 -6.805 -6.983 -0.179 -3.74 H+ 5.569e-08 4.333e-08 -7.254 -7.363 -0.109 0.00 H2O 5.551e+01 9.923e-01 1.744 -0.003 0.000 18.03 -H(0) 6.883e-15 - H2 3.441e-15 3.741e-15 -14.463 -14.427 0.036 28.62 +H(0) 7.000e-15 + H2 3.500e-15 3.805e-15 -14.456 -14.420 0.036 28.62 Na 3.600e-01 Na+ 2.713e-01 1.976e-01 -0.566 -0.704 -0.138 -1.31 NaSO4- 8.862e-02 6.345e-02 -1.052 -1.198 -0.145 1.60 - NaOH 1.888e-18 2.053e-18 -17.724 -17.688 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.908 -66.872 0.036 29.51 -S(-2) 1.514e-19 - HS- 1.146e-19 7.590e-20 -18.941 -19.120 -0.179 20.51 - H2S 3.677e-20 3.997e-20 -19.434 -19.398 0.036 33.43 - S-2 4.234e-25 1.042e-25 -24.373 -24.982 -0.609 (0) - (H2S)2 0.000e+00 0.000e+00 -40.229 -40.192 0.036 30.48 + O2 0.000e+00 0.000e+00 -66.923 -66.887 0.036 29.51 +S(-2) 1.619e-19 + HS- 1.226e-19 8.120e-20 -18.912 -19.090 -0.179 20.51 + H2S 3.933e-20 4.276e-20 -19.405 -19.369 0.036 33.43 + S-2 4.529e-25 1.114e-25 -24.344 -24.953 -0.609 (0) + (H2S)2 0.000e+00 0.000e+00 -40.170 -40.134 0.036 30.48 S(6) 1.800e-01 SO4-2 9.136e-02 2.174e-02 -1.039 -1.663 -0.624 30.84 NaSO4- 8.862e-02 6.345e-02 -1.052 -1.198 -0.145 1.60 @@ -3134,12 +3102,12 @@ S(6) 1.800e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.35 -14.43 -3.07 H2 + H2(g) -11.35 -14.42 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -18.52 -26.48 -7.96 H2S + H2S(g) -18.49 -26.45 -7.96 H2S Mirabilite -1.40 -3.10 -1.71 Na2SO4:10H2O - O2(g) -64.06 -66.87 -2.81 O2 - Sulfur -13.20 -8.08 5.12 S + O2(g) -64.07 -66.89 -2.81 O2 + Sulfur -13.18 -8.05 5.12 S Thenardite -2.82 -3.07 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3177,7 +3145,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.367 Charge balance - pe = 11.122 Adjusted to redox equilibrium + pe = 11.040 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 22899 Density (g/cm³) = 1.02439 Volume (L) = 1.00385 @@ -3185,9 +3153,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.958e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.381e-18 + Total alkalinity (eq/kg) = 1.823e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -2.032e-14 + Electrical balance (eq) = -1.787e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -3201,19 +3169,18 @@ Reaction 1. OH- 1.597e-07 1.047e-07 -6.797 -6.980 -0.184 -3.68 H+ 5.545e-08 4.298e-08 -7.256 -7.367 -0.111 0.00 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 18.03 -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.123 -40.083 0.040 28.62 +H(0) 2.205e-40 + H2 1.103e-40 1.208e-40 -39.958 -39.918 0.040 28.62 Na 3.990e-01 Na+ 2.977e-01 2.161e-01 -0.526 -0.665 -0.139 -1.27 NaSO4- 1.014e-01 7.207e-02 -0.994 -1.142 -0.148 2.28 - NaOH 2.064e-18 2.261e-18 -17.685 -17.646 0.040 (0) -O(0) 5.020e-16 - O2 2.510e-16 2.750e-16 -15.600 -15.561 0.040 29.51 +O(0) 2.349e-16 + O2 1.174e-16 1.286e-16 -15.930 -15.891 0.040 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -121.546 -121.729 -0.184 20.54 - H2S 0.000e+00 0.000e+00 -122.051 -122.011 0.040 33.43 - S-2 0.000e+00 0.000e+00 -126.966 -127.588 -0.622 (0) - (H2S)2 0.000e+00 0.000e+00 -245.458 -245.419 0.040 30.48 + HS- 0.000e+00 0.000e+00 -120.886 -121.070 -0.184 20.54 + H2S 0.000e+00 0.000e+00 -121.391 -121.352 0.040 33.43 + S-2 0.000e+00 0.000e+00 -126.306 -126.929 -0.622 (0) + (H2S)2 0.000e+00 0.000e+00 -244.139 -244.099 0.040 30.48 S(6) 1.995e-01 NaSO4- 1.014e-01 7.207e-02 -0.994 -1.142 -0.148 2.28 SO4-2 9.815e-02 2.258e-02 -1.008 -1.646 -0.638 31.58 @@ -3223,12 +3190,12 @@ S(6) 1.995e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.01 -40.08 -3.07 H2 + H2(g) -36.85 -39.92 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -121.14 -129.10 -7.96 H2S + H2S(g) -120.48 -128.44 -7.96 H2S Mirabilite -1.31 -3.01 -1.71 Na2SO4:10H2O - O2(g) -12.75 -15.56 -2.81 O2 - Sulfur -90.16 -85.03 5.12 S + O2(g) -13.08 -15.89 -2.81 O2 + Sulfur -89.66 -84.54 5.12 S Thenardite -2.72 -2.98 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3266,7 +3233,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.367 Charge balance - pe = -1.119 Adjusted to redox equilibrium + pe = -1.045 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 23144 Density (g/cm³) = 1.02472 Volume (L) = 1.00390 @@ -3274,11 +3241,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 4.003e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.064e-16 + Total alkalinity (eq/kg) = 2.446e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 3.283e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 27 + Electrical balance (eq) = -2.920e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.631485e+01 @@ -3290,19 +3257,18 @@ Reaction 1. OH- 1.601e-07 1.048e-07 -6.796 -6.980 -0.184 -3.67 H+ 5.543e-08 4.293e-08 -7.256 -7.367 -0.111 0.00 H2O 5.551e+01 9.914e-01 1.744 -0.004 0.000 18.03 -H(0) 4.572e-16 - H2 2.286e-16 2.507e-16 -15.641 -15.601 0.040 28.62 +H(0) 3.253e-16 + H2 1.626e-16 1.784e-16 -15.789 -15.749 0.040 28.62 Na 4.043e-01 Na+ 3.012e-01 2.185e-01 -0.521 -0.660 -0.139 -1.27 NaSO4- 1.031e-01 7.325e-02 -0.987 -1.135 -0.148 2.37 - NaOH 2.088e-18 2.289e-18 -17.680 -17.640 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.565 -64.525 0.040 29.51 -S(-2) 3.181e-24 - HS- 2.425e-24 1.587e-24 -23.615 -23.799 -0.184 20.54 - H2S 7.554e-25 8.283e-25 -24.122 -24.082 0.040 33.43 - S-2 9.252e-30 2.198e-30 -29.034 -29.658 -0.624 (0) - (H2S)2 0.000e+00 0.000e+00 -49.600 -49.560 0.040 30.48 + O2 0.000e+00 0.000e+00 -64.269 -64.229 0.040 29.51 +S(-2) 8.152e-25 + HS- 6.216e-25 4.068e-25 -24.207 -24.391 -0.184 20.54 + H2S 1.936e-25 2.123e-25 -24.713 -24.673 0.040 33.43 + S-2 2.371e-30 5.633e-31 -29.625 -30.249 -0.624 (0) + (H2S)2 0.000e+00 0.000e+00 -50.782 -50.742 0.040 30.48 S(6) 2.022e-01 NaSO4- 1.031e-01 7.325e-02 -0.987 -1.135 -0.148 2.37 SO4-2 9.905e-02 2.268e-02 -1.004 -1.644 -0.640 31.67 @@ -3312,12 +3278,12 @@ S(6) 2.022e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -12.53 -15.60 -3.07 H2 + H2(g) -12.68 -15.75 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -23.21 -31.17 -7.96 H2S + H2S(g) -23.80 -31.76 -7.96 H2S Mirabilite -1.30 -3.00 -1.71 Na2SO4:10H2O - O2(g) -61.71 -64.52 -2.81 O2 - Sulfur -16.71 -11.59 5.12 S + O2(g) -61.42 -64.23 -2.81 O2 + Sulfur -17.15 -12.03 5.12 S Thenardite -2.71 -2.97 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3355,7 +3321,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.378 Charge balance - pe = -1.667 Adjusted to redox equilibrium + pe = -1.690 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 31801 Density (g/cm³) = 1.03684 Volume (L) = 1.00581 @@ -3363,9 +3329,9 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 5.607e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.134e-17 + Total alkalinity (eq/kg) = -8.967e-18 Temperature (°C) = 15.00 - Electrical balance (eq) = 3.891e-14 + Electrical balance (eq) = 5.940e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3379,19 +3345,18 @@ Reaction 1. OH- 1.705e-07 1.070e-07 -6.768 -6.971 -0.202 -3.40 H+ 5.484e-08 4.186e-08 -7.261 -7.378 -0.117 0.00 H2O 5.551e+01 9.875e-01 1.744 -0.005 0.000 18.03 -H(0) 5.220e-15 - H2 2.610e-15 2.970e-15 -14.583 -14.527 0.056 28.62 +H(0) 5.798e-15 + H2 2.899e-15 3.298e-15 -14.538 -14.482 0.056 28.62 Na 6.036e-01 Na+ 4.313e-01 3.110e-01 -0.365 -0.507 -0.142 -1.12 NaSO4- 1.724e-01 1.192e-01 -0.764 -0.924 -0.160 5.14 - NaOH 2.925e-18 3.328e-18 -17.534 -17.478 0.056 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.732 -66.676 0.056 29.51 -S(-2) 7.230e-20 - HS- 5.645e-20 3.543e-20 -19.248 -19.451 -0.202 20.64 - H2S 1.584e-20 1.803e-20 -19.800 -19.744 0.056 33.43 - S-2 2.385e-25 5.032e-26 -24.623 -25.298 -0.676 (0) - (H2S)2 0.000e+00 0.000e+00 -40.940 -40.884 0.056 30.48 + O2 0.000e+00 0.000e+00 -66.823 -66.767 0.056 29.51 +S(-2) 1.100e-19 + HS- 8.590e-20 5.391e-20 -19.066 -19.268 -0.202 20.64 + H2S 2.411e-20 2.743e-20 -19.618 -19.562 0.056 33.43 + S-2 3.629e-25 7.657e-26 -24.440 -25.116 -0.676 (0) + (H2S)2 0.000e+00 0.000e+00 -40.576 -40.520 0.056 30.48 S(6) 3.018e-01 NaSO4- 1.724e-01 1.192e-01 -0.764 -0.924 -0.160 5.14 SO4-2 1.295e-01 2.594e-02 -0.888 -1.586 -0.698 34.82 @@ -3401,12 +3366,12 @@ S(6) 3.018e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.45 -14.53 -3.07 H2 + H2(g) -11.41 -14.48 -3.07 H2 H2O(g) -1.77 -0.01 1.77 H2O - H2S(g) -18.87 -26.83 -7.96 H2S + H2S(g) -18.69 -26.65 -7.96 H2S Mirabilite -0.95 -2.65 -1.71 Na2SO4:10H2O - O2(g) -63.86 -66.68 -2.81 O2 - Sulfur -13.45 -8.32 5.12 S + O2(g) -63.95 -66.77 -2.81 O2 + Sulfur -13.31 -8.19 5.12 S Thenardite -2.35 -2.60 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3444,7 +3409,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.380 Charge balance - pe = -1.676 Adjusted to redox equilibrium + pe = -1.673 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 34314 Density (g/cm³) = 1.04060 Volume (L) = 1.00645 @@ -3452,9 +3417,9 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 6.088e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.005e-17 + Total alkalinity (eq/kg) = -6.477e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.025e-13 + Electrical balance (eq) = -9.398e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3468,19 +3433,18 @@ Reaction 1. OH- 1.729e-07 1.074e-07 -6.762 -6.969 -0.207 -3.32 H+ 5.478e-08 4.167e-08 -7.261 -7.380 -0.119 0.00 H2O 5.551e+01 9.863e-01 1.744 -0.006 0.000 18.03 -H(0) 5.324e-15 - H2 2.662e-15 3.063e-15 -14.575 -14.514 0.061 28.62 +H(0) 5.254e-15 + H2 2.627e-15 3.022e-15 -14.581 -14.520 0.061 28.62 Na 6.661e-01 Na+ 4.709e-01 3.397e-01 -0.327 -0.469 -0.142 -1.08 NaSO4- 1.952e-01 1.341e-01 -0.710 -0.872 -0.163 5.85 - NaOH 3.170e-18 3.647e-18 -17.499 -17.438 0.061 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.764 -66.703 0.061 29.51 -S(-2) 8.467e-20 - HS- 6.649e-20 4.130e-20 -19.177 -19.384 -0.207 20.67 - H2S 1.818e-20 2.092e-20 -19.740 -19.679 0.061 33.43 - S-2 2.873e-25 5.892e-26 -24.542 -25.230 -0.688 (0) - (H2S)2 0.000e+00 0.000e+00 -40.816 -40.755 0.061 30.48 + O2 0.000e+00 0.000e+00 -66.753 -66.692 0.061 29.51 +S(-2) 8.029e-20 + HS- 6.305e-20 3.916e-20 -19.200 -19.407 -0.207 20.67 + H2S 1.724e-20 1.984e-20 -19.763 -19.703 0.061 33.43 + S-2 2.725e-25 5.587e-26 -24.565 -25.253 -0.688 (0) + (H2S)2 0.000e+00 0.000e+00 -40.862 -40.801 0.061 30.48 S(6) 3.331e-01 NaSO4- 1.952e-01 1.341e-01 -0.710 -0.872 -0.163 5.85 SO4-2 1.379e-01 2.673e-02 -0.861 -1.573 -0.713 35.66 @@ -3490,12 +3454,12 @@ S(6) 3.331e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.44 -14.51 -3.07 H2 + H2(g) -11.45 -14.52 -3.07 H2 H2O(g) -1.78 -0.01 1.77 H2O - H2S(g) -18.80 -26.76 -7.96 H2S + H2S(g) -18.83 -26.79 -7.96 H2S Mirabilite -0.86 -2.57 -1.71 Na2SO4:10H2O - O2(g) -63.89 -66.70 -2.81 O2 - Sulfur -13.39 -8.27 5.12 S + O2(g) -63.88 -66.69 -2.81 O2 + Sulfur -13.41 -8.29 5.12 S Thenardite -2.26 -2.51 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3533,7 +3497,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.383 Charge balance - pe = 11.284 Adjusted to redox equilibrium + pe = 11.285 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 39686 Density (g/cm³) = 1.04898 Volume (L) = 1.00795 @@ -3541,9 +3505,9 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 7.142e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.967e-17 + Total alkalinity (eq/kg) = -8.623e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 3.769e-13 + Electrical balance (eq) = 3.768e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -3558,18 +3522,17 @@ Reaction 1. H+ 5.480e-08 4.142e-08 -7.261 -7.383 -0.122 0.00 H2O 5.551e+01 9.836e-01 1.744 -0.007 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.510 -40.439 0.071 28.62 + H2 0.000e+00 0.000e+00 -40.512 -40.441 0.071 28.62 Na 8.071e-01 Na+ 5.589e-01 4.042e-01 -0.253 -0.393 -0.141 -1.00 NaSO4- 2.482e-01 1.685e-01 -0.605 -0.773 -0.168 7.26 - NaOH 3.694e-18 4.355e-18 -17.432 -17.361 0.071 (0) -O(0) 2.362e-15 - O2 1.181e-15 1.392e-15 -14.928 -14.856 0.071 29.51 +O(0) 2.383e-15 + O2 1.191e-15 1.404e-15 -14.924 -14.853 0.071 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.842 -123.057 -0.216 20.72 - H2S 0.000e+00 0.000e+00 -123.427 -123.356 0.071 33.43 - S-2 0.000e+00 0.000e+00 -128.188 -128.900 -0.712 (0) - (H2S)2 0.000e+00 0.000e+00 -248.178 -248.107 0.071 30.48 + HS- 0.000e+00 0.000e+00 -122.849 -123.065 -0.216 20.72 + H2S 0.000e+00 0.000e+00 -123.434 -123.363 0.071 33.43 + S-2 0.000e+00 0.000e+00 -128.196 -128.908 -0.712 (0) + (H2S)2 0.000e+00 0.000e+00 -248.193 -248.122 0.071 30.48 S(6) 4.036e-01 NaSO4- 2.482e-01 1.685e-01 -0.605 -0.773 -0.168 7.26 SO4-2 1.553e-01 2.822e-02 -0.809 -1.550 -0.741 37.39 @@ -3581,10 +3544,10 @@ S(6) 4.036e-01 H2(g) -37.37 -40.44 -3.07 H2 H2O(g) -1.78 -0.01 1.77 H2O - H2S(g) -122.48 -130.44 -7.96 H2S + H2S(g) -122.49 -130.45 -7.96 H2S Mirabilite -0.70 -2.41 -1.71 Na2SO4:10H2O - O2(g) -12.04 -14.86 -2.81 O2 - Sulfur -91.15 -86.02 5.12 S + O2(g) -12.04 -14.85 -2.81 O2 + Sulfur -91.15 -86.03 5.12 S Thenardite -2.08 -2.34 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3622,7 +3585,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.384 Charge balance - pe = 11.589 Adjusted to redox equilibrium + pe = -1.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 46440 Density (g/cm³) = 1.06028 Volume (L) = 1.01013 @@ -3630,11 +3593,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.527e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.760e-17 + Total alkalinity (eq/kg) = 5.887e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = -5.923e-11 + Electrical balance (eq) = -2.665e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 74 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.750622e+01 @@ -3646,19 +3609,18 @@ Reaction 1. OH- 1.808e-07 1.076e-07 -6.743 -6.968 -0.225 -2.93 H+ 5.504e-08 4.131e-08 -7.259 -7.384 -0.125 0.00 H2O 5.551e+01 9.800e-01 1.744 -0.009 0.000 18.03 -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.136 -41.050 0.085 28.62 +H(0) 2.632e-16 + H2 1.316e-16 1.601e-16 -15.881 -15.795 0.085 28.62 Na 1.000e+00 Na+ 6.764e-01 4.926e-01 -0.170 -0.307 -0.138 -0.90 NaSO4- 3.236e-01 2.167e-01 -0.490 -0.664 -0.174 8.89 - NaOH 4.356e-18 5.301e-18 -17.361 -17.276 0.085 (0) -O(0) 3.801e-14 - O2 1.900e-14 2.313e-14 -13.721 -13.636 0.085 29.51 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -125.251 -125.476 -0.225 20.79 - H2S 0.000e+00 0.000e+00 -125.860 -125.775 0.085 33.43 - S-2 0.000e+00 0.000e+00 -130.579 -131.318 -0.738 (0) - (H2S)2 0.000e+00 0.000e+00 -253.032 -252.946 0.085 30.48 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -64.231 -64.146 0.085 29.51 +S(-2) 7.320e-25 + HS- 5.877e-25 3.498e-25 -24.231 -24.456 -0.225 20.79 + H2S 1.443e-25 1.757e-25 -24.841 -24.755 0.085 33.43 + S-2 2.757e-30 5.035e-31 -29.560 -30.298 -0.738 (0) + (H2S)2 0.000e+00 0.000e+00 -50.992 -50.907 0.085 30.48 S(6) 5.000e-01 NaSO4- 3.236e-01 2.167e-01 -0.490 -0.664 -0.174 8.89 SO4-2 1.764e-01 2.977e-02 -0.754 -1.526 -0.773 39.46 @@ -3668,12 +3630,12 @@ S(6) 5.000e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.98 -41.05 -3.07 H2 + H2(g) -12.72 -15.80 -3.07 H2 H2O(g) -1.78 -0.01 1.77 H2O - H2S(g) -124.90 -132.86 -7.96 H2S + H2S(g) -23.88 -31.84 -7.96 H2S Mirabilite -0.52 -2.23 -1.71 Na2SO4:10H2O - O2(g) -10.82 -13.64 -2.81 O2 - Sulfur -92.95 -87.83 5.12 S + O2(g) -61.33 -64.15 -2.81 O2 + Sulfur -17.19 -12.07 5.12 S Thenardite -1.89 -2.14 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3711,7 +3673,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.384 Charge balance - pe = -1.661 Adjusted to redox equilibrium + pe = -1.658 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 46578 Density (g/cm³) = 1.06052 Volume (L) = 1.01018 @@ -3719,9 +3681,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.557e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.292e-16 + Total alkalinity (eq/kg) = -3.528e-17 Temperature (°C) = 15.00 - Electrical balance (eq) = 9.535e-12 + Electrical balance (eq) = 8.498e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3735,19 +3697,18 @@ Reaction 1. OH- 1.808e-07 1.076e-07 -6.743 -6.968 -0.225 -2.93 H+ 5.505e-08 4.131e-08 -7.259 -7.384 -0.125 0.00 H2O 5.551e+01 9.799e-01 1.744 -0.009 0.000 18.03 -H(0) 4.615e-15 - H2 2.307e-15 2.810e-15 -14.637 -14.551 0.086 28.62 +H(0) 4.561e-15 + H2 2.280e-15 2.777e-15 -14.642 -14.556 0.086 28.62 Na 1.004e+00 Na+ 6.789e-01 4.945e-01 -0.168 -0.306 -0.138 -0.90 NaSO4- 3.253e-01 2.178e-01 -0.488 -0.662 -0.174 8.93 - NaOH 4.370e-18 5.322e-18 -17.360 -17.274 0.086 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.720 -66.634 0.086 29.51 -S(-2) 6.949e-20 - HS- 5.580e-20 3.320e-20 -19.253 -19.479 -0.225 20.79 - H2S 1.369e-20 1.667e-20 -19.864 -19.778 0.086 33.43 - S-2 2.620e-25 4.779e-26 -24.582 -25.321 -0.739 (0) - (H2S)2 0.000e+00 0.000e+00 -41.037 -40.952 0.086 30.48 + O2 0.000e+00 0.000e+00 -66.710 -66.624 0.086 29.51 +S(-2) 6.628e-20 + HS- 5.323e-20 3.167e-20 -19.274 -19.499 -0.225 20.79 + H2S 1.306e-20 1.590e-20 -19.884 -19.799 0.086 33.43 + S-2 2.499e-25 4.558e-26 -24.602 -25.341 -0.739 (0) + (H2S)2 0.000e+00 0.000e+00 -41.079 -40.993 0.086 30.48 S(6) 5.021e-01 NaSO4- 3.253e-01 2.178e-01 -0.488 -0.662 -0.174 8.93 SO4-2 1.768e-01 2.980e-02 -0.753 -1.526 -0.773 39.50 @@ -3757,12 +3718,12 @@ S(6) 5.021e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.48 -14.55 -3.07 H2 + H2(g) -11.48 -14.56 -3.07 H2 H2O(g) -1.78 -0.01 1.77 H2O - H2S(g) -18.90 -26.86 -7.96 H2S + H2S(g) -18.92 -26.88 -7.96 H2S Mirabilite -0.52 -2.23 -1.71 Na2SO4:10H2O - O2(g) -63.82 -66.63 -2.81 O2 - Sulfur -13.46 -8.33 5.12 S + O2(g) -63.81 -66.62 -2.81 O2 + Sulfur -13.47 -8.35 5.12 S Thenardite -1.88 -2.14 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3800,7 +3761,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.384 Charge balance - pe = 11.286 Adjusted to redox equilibrium + pe = 11.268 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 50809 Density (g/cm³) = 1.06809 Volume (L) = 1.01173 @@ -3808,9 +3769,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 9.467e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.630e-16 + Total alkalinity (eq/kg) = -2.725e-18 Temperature (°C) = 15.00 - Electrical balance (eq) = 6.902e-12 + Electrical balance (eq) = 6.918e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -3825,18 +3786,17 @@ Reaction 1. H+ 5.532e-08 4.135e-08 -7.257 -7.384 -0.126 0.00 H2O 5.551e+01 9.775e-01 1.744 -0.010 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.538 -40.444 0.095 28.62 + H2 0.000e+00 0.000e+00 -40.502 -40.407 0.095 28.62 Na 1.135e+00 Na+ 7.572e-01 5.551e-01 -0.121 -0.256 -0.135 -0.84 NaSO4- 3.780e-01 2.512e-01 -0.422 -0.600 -0.178 9.89 - NaOH 4.787e-18 5.953e-18 -17.320 -17.225 0.095 (0) -O(0) 2.263e-15 - O2 1.131e-15 1.407e-15 -14.946 -14.852 0.095 29.51 +O(0) 1.915e-15 + O2 9.577e-16 1.191e-15 -15.019 -14.924 0.095 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.801 -123.032 -0.231 20.83 - H2S 0.000e+00 0.000e+00 -123.425 -123.330 0.095 33.43 - S-2 0.000e+00 0.000e+00 -128.120 -128.874 -0.754 (0) - (H2S)2 0.000e+00 0.000e+00 -248.151 -248.057 0.095 30.48 + HS- 0.000e+00 0.000e+00 -122.656 -122.887 -0.231 20.83 + H2S 0.000e+00 0.000e+00 -123.280 -123.186 0.095 33.43 + S-2 0.000e+00 0.000e+00 -127.975 -128.729 -0.754 (0) + (H2S)2 0.000e+00 0.000e+00 -247.862 -247.767 0.095 30.48 S(6) 5.676e-01 NaSO4- 3.780e-01 2.512e-01 -0.422 -0.600 -0.178 9.89 SO4-2 1.896e-01 3.063e-02 -0.722 -1.514 -0.792 40.77 @@ -3846,12 +3806,12 @@ S(6) 5.676e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.37 -40.44 -3.07 H2 + H2(g) -37.33 -40.41 -3.07 H2 H2O(g) -1.78 -0.01 1.77 H2O - H2S(g) -122.46 -130.42 -7.96 H2S + H2S(g) -122.31 -130.27 -7.96 H2S Mirabilite -0.42 -2.12 -1.71 Na2SO4:10H2O - O2(g) -12.04 -14.85 -2.81 O2 - Sulfur -91.12 -85.99 5.12 S + O2(g) -12.11 -14.92 -2.81 O2 + Sulfur -91.01 -85.88 5.12 S Thenardite -1.77 -2.03 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3889,7 +3849,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.381 Charge balance - pe = 11.293 Adjusted to redox equilibrium + pe = 11.311 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 58703 Density (g/cm³) = 1.08337 Volume (L) = 1.01508 @@ -3897,7 +3857,7 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.127e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.054e-16 + Total alkalinity (eq/kg) = 2.509e-16 Temperature (°C) = 15.00 Electrical balance (eq) = 2.987e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -3914,18 +3874,17 @@ Reaction 1. H+ 5.603e-08 4.161e-08 -7.252 -7.381 -0.129 0.00 H2O 5.551e+01 9.725e-01 1.744 -0.012 0.000 18.03 H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.565 -40.452 0.113 28.62 + H2 0.000e+00 0.000e+00 -40.602 -40.489 0.113 28.62 Na 1.404e+00 Na+ 9.145e-01 6.810e-01 -0.039 -0.167 -0.128 -0.72 NaSO4- 4.892e-01 3.209e-01 -0.310 -0.494 -0.183 11.60 - NaOH 5.570e-18 7.220e-18 -17.254 -17.141 0.113 (0) -O(0) 2.236e-15 - O2 1.118e-15 1.450e-15 -14.951 -14.839 0.113 29.51 +O(0) 2.652e-15 + O2 1.326e-15 1.719e-15 -14.877 -14.765 0.113 29.51 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.797 -123.037 -0.240 20.91 - H2S 0.000e+00 0.000e+00 -123.446 -123.333 0.113 33.43 - S-2 0.000e+00 0.000e+00 -128.103 -128.882 -0.779 (0) - (H2S)2 0.000e+00 0.000e+00 -248.175 -248.062 0.113 30.48 + HS- 0.000e+00 0.000e+00 -122.945 -123.185 -0.240 20.91 + H2S 0.000e+00 0.000e+00 -123.594 -123.481 0.113 33.43 + S-2 0.000e+00 0.000e+00 -128.252 -129.030 -0.779 (0) + (H2S)2 0.000e+00 0.000e+00 -248.472 -248.359 0.113 30.48 S(6) 7.019e-01 NaSO4- 4.892e-01 3.209e-01 -0.310 -0.494 -0.183 11.60 SO4-2 2.127e-01 3.189e-02 -0.672 -1.496 -0.824 43.08 @@ -3935,12 +3894,12 @@ S(6) 7.019e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -37.38 -40.45 -3.07 H2 + H2(g) -37.42 -40.49 -3.07 H2 H2O(g) -1.78 -0.01 1.77 H2O - H2S(g) -122.46 -130.42 -7.96 H2S + H2S(g) -122.61 -130.57 -7.96 H2S Mirabilite -0.24 -1.95 -1.71 Na2SO4:10H2O - O2(g) -12.03 -14.84 -2.81 O2 - Sulfur -91.11 -85.99 5.12 S + O2(g) -11.95 -14.76 -2.81 O2 + Sulfur -91.22 -86.10 5.12 S Thenardite -1.58 -1.83 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3978,7 +3937,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.353 Charge balance - pe = -1.811 Adjusted to redox equilibrium + pe = -1.690 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 84857 Density (g/cm³) = 1.15134 Volume (L) = 1.03306 @@ -3986,9 +3945,9 @@ Reaction 1. Activity of water = 0.950 Ionic strength (mol/kgw) = 1.906e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.454e-16 + Total alkalinity (eq/kg) = -1.009e-16 Temperature (°C) = 15.00 - Electrical balance (eq) = 2.663e-09 + Electrical balance (eq) = 1.015e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -4002,19 +3961,18 @@ Reaction 1. OH- 1.803e-07 9.718e-08 -6.744 -7.012 -0.268 -1.39 H+ 6.076e-08 4.434e-08 -7.216 -7.353 -0.137 0.00 H2O 5.551e+01 9.498e-01 1.744 -0.022 0.000 18.03 -H(0) 8.337e-15 - H2 4.168e-15 6.465e-15 -14.380 -14.189 0.191 28.62 +H(0) 4.767e-15 + H2 2.384e-15 3.697e-15 -14.623 -14.432 0.191 28.62 Na 2.667e+00 Na+ 1.620e+00 1.324e+00 0.209 0.122 -0.087 -0.33 NaSO4- 1.047e+00 6.624e-01 0.020 -0.179 -0.199 17.19 - NaOH 8.297e-18 1.287e-17 -17.081 -16.891 0.191 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.576 -67.385 0.191 29.51 -S(-2) 2.831e-18 - HS- 2.385e-18 1.285e-18 -17.623 -17.891 -0.268 21.18 - H2S 4.465e-19 6.925e-19 -18.350 -18.160 0.191 33.43 - S-2 1.222e-23 1.723e-24 -22.913 -23.764 -0.851 (0) - (H2S)2 1.243e-38 1.927e-38 -37.906 -37.715 0.191 30.48 + O2 0.000e+00 0.000e+00 -67.090 -66.900 0.191 29.51 +S(-2) 3.027e-19 + HS- 2.549e-19 1.374e-19 -18.594 -18.862 -0.268 21.18 + H2S 4.774e-20 7.404e-20 -19.321 -19.131 0.191 33.43 + S-2 1.306e-24 1.842e-25 -23.884 -24.735 -0.851 (0) + (H2S)2 1.420e-40 2.203e-40 -39.848 -39.657 0.191 30.48 S(6) 1.333e+00 NaSO4- 1.047e+00 6.624e-01 0.020 -0.179 -0.199 17.19 SO4-2 2.862e-01 3.386e-02 -0.543 -1.470 -0.927 51.29 @@ -4024,12 +3982,12 @@ S(6) 1.333e+00 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -11.12 -14.19 -3.07 H2 + H2(g) -11.36 -14.43 -3.07 H2 H2O(g) -1.79 -0.02 1.77 H2O - H2S(g) -17.28 -25.24 -7.96 H2S + H2S(g) -18.26 -26.22 -7.96 H2S Mirabilite 0.26 -1.45 -1.71 Na2SO4:10H2O - O2(g) -64.57 -67.39 -2.81 O2 - Sulfur -12.20 -7.08 5.12 S + O2(g) -64.09 -66.90 -2.81 O2 + Sulfur -12.93 -7.80 5.12 S Thenardite -0.97 -1.23 -0.25 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -4179,9 +4137,9 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 5.733e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.513e-17 + Total alkalinity (eq/kg) = 3.258e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.162e-14 + Electrical balance (eq) = 1.199e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -4196,18 +4154,17 @@ Reaction 1. H+ 9.125e-08 7.740e-08 -7.040 -7.111 -0.072 0.00 H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 18.07 H(0) 3.467e-15 - H2 1.734e-15 1.757e-15 -14.761 -14.755 0.006 28.61 + H2 1.733e-15 1.756e-15 -14.761 -14.755 0.006 28.61 Na 4.488e-02 Na+ 3.988e-02 3.259e-02 -1.399 -1.487 -0.088 -1.19 NaSO4- 4.996e-03 4.106e-03 -2.301 -2.387 -0.085 -8.07 - NaOH 4.201e-19 4.257e-19 -18.377 -18.371 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.876 -62.870 0.006 30.40 -S(-2) 1.950e-22 - HS- 1.270e-22 1.019e-22 -21.896 -21.992 -0.096 20.80 - H2S 6.803e-23 6.893e-23 -22.167 -22.162 0.006 36.27 - S-2 3.563e-28 1.590e-28 -27.448 -27.799 -0.351 (0) - (H2S)2 0.000e+00 0.000e+00 -45.607 -45.601 0.006 30.09 +S(-2) 1.949e-22 + HS- 1.269e-22 1.018e-22 -21.897 -21.992 -0.096 20.80 + H2S 6.798e-23 6.889e-23 -22.168 -22.162 0.006 36.27 + S-2 3.561e-28 1.589e-28 -27.448 -27.799 -0.351 (0) + (H2S)2 0.000e+00 0.000e+00 -45.608 -45.602 0.006 30.09 S(6) 2.244e-02 SO4-2 1.744e-02 7.740e-03 -1.758 -2.111 -0.353 22.19 NaSO4- 4.996e-03 4.106e-03 -2.301 -2.387 -0.085 -8.07 @@ -4268,11 +4225,11 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 6.342e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.970e-17 + Total alkalinity (eq/kg) = -3.290e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.996e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Electrical balance (eq) = -4.303e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.560654e+01 @@ -4284,19 +4241,18 @@ Reaction 1. OH- 1.664e-07 1.323e-07 -6.779 -6.878 -0.100 -3.83 H+ 9.051e-08 7.640e-08 -7.043 -7.117 -0.074 0.00 H2O 5.551e+01 9.988e-01 1.744 -0.001 0.000 18.07 -H(0) 4.982e-15 - H2 2.491e-15 2.527e-15 -14.604 -14.597 0.006 28.61 +H(0) 4.970e-15 + H2 2.485e-15 2.522e-15 -14.605 -14.598 0.006 28.61 Na 5.016e-02 Na+ 4.425e-02 3.590e-02 -1.354 -1.445 -0.091 -1.17 NaSO4- 5.911e-03 4.824e-03 -2.228 -2.317 -0.088 -7.57 - NaOH 4.682e-19 4.751e-19 -18.330 -18.323 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.193 -63.186 0.006 30.40 -S(-2) 8.809e-22 - HS- 5.782e-22 4.597e-22 -21.238 -21.338 -0.100 20.81 - H2S 3.026e-22 3.071e-22 -21.519 -21.513 0.006 36.27 - S-2 1.678e-27 7.268e-28 -26.775 -27.139 -0.363 (0) - (H2S)2 0.000e+00 0.000e+00 -44.310 -44.304 0.006 30.09 + O2 0.000e+00 0.000e+00 -63.191 -63.184 0.006 30.40 +S(-2) 8.729e-22 + HS- 5.730e-22 4.556e-22 -21.242 -21.341 -0.100 20.81 + H2S 2.999e-22 3.043e-22 -21.523 -21.517 0.006 36.27 + S-2 1.663e-27 7.202e-28 -26.779 -27.143 -0.363 (0) + (H2S)2 0.000e+00 0.000e+00 -44.318 -44.312 0.006 30.09 S(6) 2.508e-02 SO4-2 1.917e-02 8.254e-03 -1.717 -2.083 -0.366 22.56 NaSO4- 5.911e-03 4.824e-03 -2.228 -2.317 -0.088 -7.57 @@ -4308,9 +4264,9 @@ S(6) 2.508e-02 H2(g) -11.50 -14.60 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.52 -28.45 -7.94 H2S + H2S(g) -20.52 -28.46 -7.94 H2S Mirabilite -3.74 -4.98 -1.24 Na2SO4:10H2O - O2(g) -60.29 -63.19 -2.89 O2 + O2(g) -60.29 -63.18 -2.89 O2 Sulfur -14.95 -10.07 4.88 S Thenardite -4.67 -4.97 -0.30 Na2SO4 @@ -4357,11 +4313,11 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 7.505e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.908e-17 + Total alkalinity (eq/kg) = 2.226e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.344e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Electrical balance (eq) = 1.370e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.562710e+01 @@ -4373,19 +4329,18 @@ Reaction 1. OH- 1.727e-07 1.353e-07 -6.763 -6.869 -0.106 -3.80 H+ 8.927e-08 7.473e-08 -7.049 -7.127 -0.077 0.00 H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.07 -H(0) 7.262e-16 - H2 3.631e-16 3.694e-16 -15.440 -15.432 0.008 28.61 +H(0) 7.239e-16 + H2 3.619e-16 3.683e-16 -15.441 -15.434 0.008 28.61 Na 6.044e-02 Na+ 5.263e-02 4.219e-02 -1.279 -1.375 -0.096 -1.15 NaSO4- 7.805e-03 6.294e-03 -2.108 -2.201 -0.093 -6.70 - NaOH 5.609e-19 5.706e-19 -18.251 -18.244 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.524 -61.516 0.008 30.40 -S(-2) 4.378e-25 - HS- 2.913e-25 2.281e-25 -24.536 -24.642 -0.106 20.83 - H2S 1.465e-25 1.490e-25 -24.834 -24.827 0.008 36.27 - S-2 8.955e-31 3.686e-31 -30.048 -30.433 -0.385 (0) - (H2S)2 0.000e+00 0.000e+00 -50.939 -50.932 0.008 30.09 + O2 0.000e+00 0.000e+00 -61.521 -61.514 0.008 30.40 +S(-2) 4.323e-25 + HS- 2.877e-25 2.252e-25 -24.541 -24.647 -0.106 20.83 + H2S 1.446e-25 1.472e-25 -24.840 -24.832 0.008 36.27 + S-2 8.842e-31 3.640e-31 -30.053 -30.439 -0.385 (0) + (H2S)2 0.000e+00 0.000e+00 -50.950 -50.943 0.008 30.09 S(6) 3.022e-02 SO4-2 2.241e-02 9.164e-03 -1.649 -2.038 -0.388 23.22 NaSO4- 7.805e-03 6.294e-03 -2.108 -2.201 -0.093 -6.70 @@ -4397,10 +4352,10 @@ S(6) 3.022e-02 H2(g) -12.33 -15.43 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -23.83 -31.77 -7.94 H2S + H2S(g) -23.84 -31.77 -7.94 H2S Mirabilite -3.55 -4.79 -1.24 Na2SO4:10H2O - O2(g) -58.62 -61.52 -2.89 O2 - Sulfur -17.43 -12.54 4.88 S + O2(g) -58.62 -61.51 -2.89 O2 + Sulfur -17.43 -12.55 4.88 S Thenardite -4.49 -4.79 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -4446,9 +4401,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 7.999e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.382e-16 + Total alkalinity (eq/kg) = -3.214e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.052e-10 + Electrical balance (eq) = -4.965e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -4462,19 +4417,18 @@ Reaction 1. OH- 1.752e-07 1.364e-07 -6.756 -6.865 -0.109 -3.78 H+ 8.879e-08 7.410e-08 -7.052 -7.130 -0.079 0.00 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.07 -H(0) 5.156e-15 - H2 2.578e-15 2.626e-15 -14.589 -14.581 0.008 28.61 +H(0) 5.159e-15 + H2 2.580e-15 2.628e-15 -14.588 -14.580 0.008 28.61 Na 6.488e-02 Na+ 5.621e-02 4.485e-02 -1.250 -1.348 -0.098 -1.13 NaSO4- 8.666e-03 6.956e-03 -2.062 -2.158 -0.095 -6.37 - NaOH 6.006e-19 6.118e-19 -18.221 -18.213 0.008 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.228 -63.220 0.008 30.40 -S(-2) 1.154e-21 - HS- 7.717e-22 6.006e-22 -21.113 -21.221 -0.109 20.84 - H2S 3.820e-22 3.891e-22 -21.418 -21.410 0.008 36.27 - S-2 2.425e-27 9.790e-28 -26.615 -27.009 -0.394 (0) - (H2S)2 0.000e+00 0.000e+00 -44.106 -44.098 0.008 30.09 +S(-2) 1.156e-21 + HS- 7.734e-22 6.020e-22 -21.112 -21.220 -0.109 20.84 + H2S 3.829e-22 3.900e-22 -21.417 -21.409 0.008 36.27 + S-2 2.431e-27 9.812e-28 -26.614 -27.008 -0.394 (0) + (H2S)2 0.000e+00 0.000e+00 -44.104 -44.096 0.008 30.09 S(6) 3.244e-02 SO4-2 2.377e-02 9.526e-03 -1.624 -2.021 -0.397 23.48 NaSO4- 8.666e-03 6.956e-03 -2.062 -2.158 -0.095 -6.37 @@ -4486,7 +4440,7 @@ S(6) 3.244e-02 H2(g) -11.48 -14.58 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.42 -28.35 -7.94 H2S + H2S(g) -20.41 -28.35 -7.94 H2S Mirabilite -3.48 -4.72 -1.24 Na2SO4:10H2O O2(g) -60.33 -63.22 -2.89 O2 Sulfur -14.86 -9.98 4.88 S @@ -4535,7 +4489,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 8.189e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.740e-17 + Total alkalinity (eq/kg) = 4.661e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.073e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -4551,19 +4505,18 @@ Reaction 1. OH- 1.762e-07 1.368e-07 -6.754 -6.864 -0.110 -3.78 H+ 8.862e-08 7.387e-08 -7.052 -7.132 -0.079 0.00 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.07 -H(0) 3.800e-39 - H2 1.900e-39 1.936e-39 -38.721 -38.713 0.008 28.61 +H(0) 3.791e-39 + H2 1.896e-39 1.932e-39 -38.722 -38.714 0.008 28.61 Na 6.660e-02 Na+ 5.759e-02 4.588e-02 -1.240 -1.338 -0.099 -1.13 NaSO4- 9.006e-03 7.216e-03 -2.045 -2.142 -0.096 -6.24 - NaOH 6.159e-19 6.277e-19 -18.210 -18.202 0.008 (0) -O(0) 2.176e-15 - O2 1.088e-15 1.109e-15 -14.963 -14.955 0.008 30.40 +O(0) 2.186e-15 + O2 1.093e-15 1.114e-15 -14.961 -14.953 0.008 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.636 -117.746 -0.110 20.84 - H2S 0.000e+00 0.000e+00 -117.944 -117.936 0.008 36.27 - S-2 0.000e+00 0.000e+00 -123.135 -123.532 -0.397 (0) - (H2S)2 0.000e+00 0.000e+00 -237.158 -237.150 0.008 30.09 + HS- 0.000e+00 0.000e+00 -117.640 -117.750 -0.110 20.84 + H2S 0.000e+00 0.000e+00 -117.948 -117.940 0.008 36.27 + S-2 0.000e+00 0.000e+00 -123.139 -123.536 -0.397 (0) + (H2S)2 0.000e+00 0.000e+00 -237.166 -237.158 0.008 30.09 S(6) 3.330e-02 SO4-2 2.429e-02 9.662e-03 -1.614 -2.015 -0.400 23.58 NaSO4- 9.006e-03 7.216e-03 -2.045 -2.142 -0.096 -6.24 @@ -4575,10 +4528,10 @@ S(6) 3.330e-02 H2(g) -35.61 -38.71 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -116.94 -124.88 -7.94 H2S + H2S(g) -116.95 -124.88 -7.94 H2S Mirabilite -3.46 -4.70 -1.24 Na2SO4:10H2O - O2(g) -12.06 -14.96 -2.89 O2 - Sulfur -87.25 -82.37 4.88 S + O2(g) -12.06 -14.95 -2.89 O2 + Sulfur -87.26 -82.38 4.88 S Thenardite -4.39 -4.69 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -4616,7 +4569,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.135 Charge balance - pe = -1.274 Adjusted to redox equilibrium + pe = -1.273 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6747 Density (g/cm³) = 1.00163 Volume (L) = 1.00345 @@ -4624,9 +4577,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 8.740e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.240e-17 + Total alkalinity (eq/kg) = 3.766e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.558e-13 + Electrical balance (eq) = 6.230e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -4640,19 +4593,18 @@ Reaction 1. OH- 1.788e-07 1.380e-07 -6.748 -6.860 -0.113 -3.76 H+ 8.813e-08 7.323e-08 -7.055 -7.135 -0.080 0.00 H2O 5.551e+01 9.983e-01 1.744 -0.001 0.000 18.07 -H(0) 2.632e-15 - H2 1.316e-15 1.343e-15 -14.881 -14.872 0.009 28.61 +H(0) 2.621e-15 + H2 1.310e-15 1.337e-15 -14.883 -14.874 0.009 28.61 Na 7.162e-02 Na+ 6.160e-02 4.884e-02 -1.210 -1.311 -0.101 -1.12 NaSO4- 1.002e-02 7.988e-03 -1.999 -2.098 -0.098 -5.89 - NaOH 6.605e-19 6.740e-19 -18.180 -18.171 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.646 -62.637 0.009 30.40 -S(-2) 8.236e-23 - HS- 5.549e-23 4.282e-23 -22.256 -22.368 -0.113 20.85 - H2S 2.687e-23 2.742e-23 -22.571 -22.562 0.009 36.27 - S-2 1.799e-28 7.063e-29 -27.745 -28.151 -0.406 (0) - (H2S)2 0.000e+00 0.000e+00 -46.411 -46.402 0.009 30.09 + O2 0.000e+00 0.000e+00 -62.642 -62.634 0.009 30.40 +S(-2) 8.093e-23 + HS- 5.452e-23 4.208e-23 -22.263 -22.376 -0.113 20.85 + H2S 2.640e-23 2.694e-23 -22.578 -22.570 0.009 36.27 + S-2 1.768e-28 6.940e-29 -27.753 -28.159 -0.406 (0) + (H2S)2 0.000e+00 0.000e+00 -46.426 -46.417 0.009 30.09 S(6) 3.581e-02 SO4-2 2.579e-02 1.005e-02 -1.588 -1.998 -0.409 23.85 NaSO4- 1.002e-02 7.988e-03 -1.999 -2.098 -0.098 -5.89 @@ -4664,10 +4616,10 @@ S(6) 3.581e-02 H2(g) -11.77 -14.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.57 -29.50 -7.94 H2S + H2S(g) -21.58 -29.51 -7.94 H2S Mirabilite -3.39 -4.63 -1.24 Na2SO4:10H2O - O2(g) -59.75 -62.64 -2.89 O2 - Sulfur -15.72 -10.84 4.88 S + O2(g) -59.74 -62.63 -2.89 O2 + Sulfur -15.73 -10.85 4.88 S Thenardite -4.32 -4.62 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -4705,7 +4657,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.140 Charge balance - pe = 10.607 Adjusted to redox equilibrium + pe = 10.608 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7353 Density (g/cm³) = 1.00210 Volume (L) = 1.00351 @@ -4713,7 +4665,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 9.541e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.533e-17 + Total alkalinity (eq/kg) = 2.957e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.499e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -4729,19 +4681,18 @@ Reaction 1. OH- 1.825e-07 1.396e-07 -6.739 -6.855 -0.116 -3.74 H+ 8.748e-08 7.237e-08 -7.058 -7.140 -0.082 0.00 H2O 5.551e+01 9.982e-01 1.744 -0.001 0.000 18.07 -H(0) 4.425e-39 - H2 2.212e-39 2.262e-39 -38.655 -38.646 0.010 28.61 +H(0) 4.407e-39 + H2 2.204e-39 2.252e-39 -38.657 -38.647 0.010 28.61 Na 7.901e-02 Na+ 6.746e-02 5.314e-02 -1.171 -1.275 -0.104 -1.10 NaSO4- 1.155e-02 9.154e-03 -1.937 -2.038 -0.101 -5.41 - NaOH 7.258e-19 7.419e-19 -18.139 -18.130 0.010 (0) -O(0) 1.589e-15 - O2 7.944e-16 8.121e-16 -15.100 -15.090 0.010 30.40 +O(0) 1.602e-15 + O2 8.009e-16 8.186e-16 -15.096 -15.087 0.010 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.329 -117.445 -0.116 20.86 - H2S 0.000e+00 0.000e+00 -117.653 -117.644 0.010 36.27 - S-2 0.000e+00 0.000e+00 -122.805 -123.223 -0.418 (0) - (H2S)2 0.000e+00 0.000e+00 -236.576 -236.566 0.010 30.09 + HS- 0.000e+00 0.000e+00 -117.336 -117.452 -0.116 20.86 + H2S 0.000e+00 0.000e+00 -117.660 -117.651 0.010 36.27 + S-2 0.000e+00 0.000e+00 -122.812 -123.230 -0.418 (0) + (H2S)2 0.000e+00 0.000e+00 -236.590 -236.580 0.010 30.09 S(6) 3.951e-02 SO4-2 2.795e-02 1.058e-02 -1.554 -1.975 -0.422 24.24 NaSO4- 1.155e-02 9.154e-03 -1.937 -2.038 -0.101 -5.41 @@ -4751,12 +4702,12 @@ S(6) 3.951e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.54 -38.65 -3.10 H2 + H2(g) -35.55 -38.65 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -116.65 -124.59 -7.94 H2S + H2S(g) -116.66 -124.59 -7.94 H2S Mirabilite -3.29 -4.53 -1.24 Na2SO4:10H2O - O2(g) -12.20 -15.09 -2.89 O2 - Sulfur -87.03 -82.15 4.88 S + O2(g) -12.19 -15.09 -2.89 O2 + Sulfur -87.04 -82.15 4.88 S Thenardite -4.22 -4.52 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -4802,9 +4753,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.027e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.685e-17 + Total alkalinity (eq/kg) = 8.613e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.699e-12 + Electrical balance (eq) = 1.698e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -4818,19 +4769,18 @@ Reaction 1. OH- 1.856e-07 1.410e-07 -6.731 -6.851 -0.119 -3.72 H+ 8.693e-08 7.165e-08 -7.061 -7.145 -0.084 0.00 H2O 5.551e+01 9.980e-01 1.744 -0.001 0.000 18.07 -H(0) 7.739e-39 - H2 3.870e-39 3.962e-39 -38.412 -38.402 0.010 28.61 +H(0) 7.735e-39 + H2 3.867e-39 3.960e-39 -38.413 -38.402 0.010 28.61 Na 8.586e-02 Na+ 7.283e-02 5.707e-02 -1.138 -1.244 -0.106 -1.09 NaSO4- 1.303e-02 1.026e-02 -1.885 -1.989 -0.104 -5.00 - NaOH 7.858e-19 8.046e-19 -18.105 -18.094 0.010 (0) -O(0) 5.166e-16 - O2 2.583e-16 2.645e-16 -15.588 -15.578 0.010 30.40 +O(0) 5.172e-16 + O2 2.586e-16 2.648e-16 -15.587 -15.577 0.010 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.337 -116.456 -0.119 20.88 - H2S 0.000e+00 0.000e+00 -116.670 -116.659 0.010 36.27 - S-2 0.000e+00 0.000e+00 -121.801 -122.230 -0.428 (0) - (H2S)2 0.000e+00 0.000e+00 -234.607 -234.597 0.010 30.09 + HS- 0.000e+00 0.000e+00 -116.338 -116.457 -0.119 20.88 + H2S 0.000e+00 0.000e+00 -116.671 -116.660 0.010 36.27 + S-2 0.000e+00 0.000e+00 -121.802 -122.231 -0.428 (0) + (H2S)2 0.000e+00 0.000e+00 -234.609 -234.599 0.010 30.09 S(6) 4.293e-02 SO4-2 2.990e-02 1.105e-02 -1.524 -1.957 -0.432 24.58 NaSO4- 1.303e-02 1.026e-02 -1.885 -1.989 -0.104 -5.00 @@ -4844,7 +4794,7 @@ S(6) 4.293e-02 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -115.67 -123.60 -7.94 H2S Mirabilite -3.21 -4.45 -1.24 Na2SO4:10H2O - O2(g) -12.69 -15.58 -2.89 O2 + O2(g) -12.68 -15.58 -2.89 O2 Sulfur -86.29 -81.41 4.88 S Thenardite -4.14 -4.44 -0.30 Na2SO4 @@ -4883,7 +4833,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.153 Charge balance - pe = -1.268 Adjusted to redox equilibrium + pe = -1.267 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9016 Density (g/cm³) = 1.00342 Volume (L) = 1.00366 @@ -4891,9 +4841,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.175e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.896e-17 + Total alkalinity (eq/kg) = 1.573e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.316e-12 + Electrical balance (eq) = 2.859e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -4907,19 +4857,18 @@ Reaction 1. OH- 1.916e-07 1.435e-07 -6.718 -6.843 -0.125 -3.69 H+ 8.593e-08 7.036e-08 -7.066 -7.153 -0.087 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.07 -H(0) 2.342e-15 - H2 1.171e-15 1.203e-15 -14.931 -14.920 0.012 28.61 +H(0) 2.338e-15 + H2 1.169e-15 1.201e-15 -14.932 -14.920 0.012 28.61 Na 9.988e-02 Na+ 8.371e-02 6.496e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.617e-02 1.261e-02 -1.791 -1.899 -0.108 -4.23 - NaOH 9.074e-19 9.323e-19 -18.042 -18.030 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.554 -62.543 0.012 30.40 -S(-2) 6.099e-23 - HS- 4.210e-23 3.154e-23 -22.376 -22.501 -0.125 20.90 - H2S 1.889e-23 1.941e-23 -22.724 -22.712 0.012 36.27 - S-2 1.517e-28 5.415e-29 -27.819 -28.266 -0.447 (0) - (H2S)2 0.000e+00 0.000e+00 -46.714 -46.702 0.012 30.09 + O2 0.000e+00 0.000e+00 -62.553 -62.541 0.012 30.40 +S(-2) 6.056e-23 + HS- 4.181e-23 3.132e-23 -22.379 -22.504 -0.125 20.90 + H2S 1.876e-23 1.927e-23 -22.727 -22.715 0.012 36.27 + S-2 1.506e-28 5.377e-29 -27.822 -28.269 -0.447 (0) + (H2S)2 0.000e+00 0.000e+00 -46.720 -46.708 0.012 30.09 S(6) 4.994e-02 SO4-2 3.377e-02 1.193e-02 -1.471 -1.924 -0.452 25.23 NaSO4- 1.617e-02 1.261e-02 -1.791 -1.899 -0.108 -4.23 @@ -4931,10 +4880,10 @@ S(6) 4.994e-02 H2(g) -11.82 -14.92 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.72 -29.65 -7.94 H2S + H2S(g) -21.72 -29.66 -7.94 H2S Mirabilite -3.07 -4.31 -1.24 Na2SO4:10H2O O2(g) -59.65 -62.54 -2.89 O2 - Sulfur -15.82 -10.94 4.88 S + Sulfur -15.83 -10.94 4.88 S Thenardite -4.00 -4.30 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -4972,7 +4921,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.153 Charge balance - pe = -1.281 Adjusted to redox equilibrium + pe = -1.280 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9021 Density (g/cm³) = 1.00343 Volume (L) = 1.00366 @@ -4980,9 +4929,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.176e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.644e-17 + Total alkalinity (eq/kg) = 2.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.029e-12 + Electrical balance (eq) = 1.374e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -4996,19 +4945,18 @@ Reaction 1. OH- 1.916e-07 1.435e-07 -6.718 -6.843 -0.125 -3.69 H+ 8.593e-08 7.036e-08 -7.066 -7.153 -0.087 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.07 -H(0) 2.483e-15 - H2 1.241e-15 1.276e-15 -14.906 -14.894 0.012 28.61 +H(0) 2.471e-15 + H2 1.236e-15 1.269e-15 -14.908 -14.896 0.012 28.61 Na 9.996e-02 Na+ 8.377e-02 6.500e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.619e-02 1.262e-02 -1.791 -1.899 -0.108 -4.23 - NaOH 9.081e-19 9.330e-19 -18.042 -18.030 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.605 -62.593 0.012 30.40 -S(-2) 7.709e-23 - HS- 5.322e-23 3.987e-23 -22.274 -22.399 -0.125 20.90 - H2S 2.387e-23 2.453e-23 -22.622 -22.610 0.012 36.27 - S-2 1.918e-28 6.844e-29 -27.717 -28.165 -0.447 (0) - (H2S)2 0.000e+00 0.000e+00 -46.511 -46.499 0.012 30.09 + O2 0.000e+00 0.000e+00 -62.601 -62.589 0.012 30.40 +S(-2) 7.563e-23 + HS- 5.221e-23 3.912e-23 -22.282 -22.408 -0.125 20.90 + H2S 2.342e-23 2.406e-23 -22.630 -22.619 0.012 36.27 + S-2 1.882e-28 6.715e-29 -27.725 -28.173 -0.447 (0) + (H2S)2 0.000e+00 0.000e+00 -46.527 -46.516 0.012 30.09 S(6) 4.998e-02 SO4-2 3.379e-02 1.193e-02 -1.471 -1.923 -0.452 25.23 NaSO4- 1.619e-02 1.262e-02 -1.791 -1.899 -0.108 -4.23 @@ -5018,9 +4966,9 @@ S(6) 4.998e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.79 -14.89 -3.10 H2 + H2(g) -11.80 -14.90 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.62 -29.55 -7.94 H2S + H2S(g) -21.62 -29.56 -7.94 H2S Mirabilite -3.07 -4.31 -1.24 Na2SO4:10H2O O2(g) -59.70 -62.59 -2.89 O2 Sulfur -15.75 -10.87 4.88 S @@ -5090,7 +5038,6 @@ H(0) 3.308e-39 Na 1.000e-01 Na+ 8.380e-02 6.502e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.620e-02 1.263e-02 -1.791 -1.899 -0.108 -4.22 - NaOH 9.084e-19 9.334e-19 -18.042 -18.030 0.012 (0) O(0) 2.798e-15 O2 1.399e-15 1.437e-15 -14.854 -14.842 0.012 30.40 S(-2) 0.000e+00 @@ -5179,7 +5126,6 @@ H(0) 3.308e-39 Na 1.000e-01 Na+ 8.380e-02 6.502e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.620e-02 1.263e-02 -1.791 -1.899 -0.108 -4.22 - NaOH 9.084e-19 9.334e-19 -18.042 -18.030 0.012 (0) O(0) 2.798e-15 O2 1.399e-15 1.437e-15 -14.854 -14.842 0.012 30.40 S(-2) 0.000e+00 @@ -5239,7 +5185,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.153 Charge balance - pe = -1.366 Adjusted to redox equilibrium + pe = -1.368 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9103 Density (g/cm³) = 1.00349 Volume (L) = 1.00367 @@ -5247,9 +5193,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.186e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.898e-17 + Total alkalinity (eq/kg) = 4.528e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.911e-15 + Electrical balance (eq) = 9.756e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -5263,19 +5209,18 @@ Reaction 1. OH- 1.920e-07 1.437e-07 -6.717 -6.843 -0.126 -3.68 H+ 8.586e-08 7.027e-08 -7.066 -7.153 -0.087 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.07 -H(0) 3.668e-15 - H2 1.834e-15 1.885e-15 -14.737 -14.725 0.012 28.61 +H(0) 3.711e-15 + H2 1.855e-15 1.907e-15 -14.732 -14.720 0.012 28.61 Na 1.010e-01 Na+ 8.457e-02 6.558e-02 -1.073 -1.183 -0.110 -1.06 NaSO4- 1.643e-02 1.280e-02 -1.784 -1.893 -0.108 -4.17 - NaOH 9.171e-19 9.425e-19 -18.038 -18.026 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.944 -62.933 0.012 30.40 -S(-2) 3.690e-22 - HS- 2.550e-22 1.908e-22 -21.594 -21.719 -0.126 20.90 - H2S 1.141e-22 1.172e-22 -21.943 -21.931 0.012 36.27 - S-2 9.219e-28 3.280e-28 -27.035 -27.484 -0.449 (0) - (H2S)2 0.000e+00 0.000e+00 -45.152 -45.140 0.012 30.09 + O2 0.000e+00 0.000e+00 -62.954 -62.943 0.012 30.40 +S(-2) 3.865e-22 + HS- 2.670e-22 1.999e-22 -21.573 -21.699 -0.126 20.90 + H2S 1.195e-22 1.228e-22 -21.923 -21.911 0.012 36.27 + S-2 9.656e-28 3.435e-28 -27.015 -27.464 -0.449 (0) + (H2S)2 0.000e+00 0.000e+00 -45.112 -45.100 0.012 30.09 S(6) 5.050e-02 SO4-2 3.407e-02 1.199e-02 -1.468 -1.921 -0.454 25.27 NaSO4- 1.643e-02 1.280e-02 -1.784 -1.893 -0.108 -4.17 @@ -5287,10 +5232,10 @@ S(6) 5.050e-02 H2(g) -11.62 -14.72 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.94 -28.87 -7.94 H2S + H2S(g) -20.92 -28.85 -7.94 H2S Mirabilite -3.06 -4.30 -1.24 Na2SO4:10H2O - O2(g) -60.04 -62.93 -2.89 O2 - Sulfur -15.24 -10.36 4.88 S + O2(g) -60.05 -62.94 -2.89 O2 + Sulfur -15.22 -10.34 4.88 S Thenardite -3.99 -4.29 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -5328,7 +5273,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.158 Charge balance - pe = -1.498 Adjusted to redox equilibrium + pe = -1.496 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9881 Density (g/cm³) = 1.00413 Volume (L) = 1.00375 @@ -5336,9 +5281,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.290e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.260e-17 + Total alkalinity (eq/kg) = -7.678e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.135e-11 + Electrical balance (eq) = -5.352e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -5352,19 +5297,18 @@ Reaction 1. OH- 1.959e-07 1.453e-07 -6.708 -6.838 -0.130 -3.66 H+ 8.525e-08 6.948e-08 -7.069 -7.158 -0.089 0.00 H2O 5.551e+01 9.975e-01 1.744 -0.001 0.000 18.07 -H(0) 6.571e-15 - H2 3.286e-15 3.385e-15 -14.483 -14.470 0.013 28.61 +H(0) 6.510e-15 + H2 3.255e-15 3.353e-15 -14.487 -14.475 0.013 28.61 Na 1.111e-01 Na+ 9.227e-02 7.112e-02 -1.035 -1.148 -0.113 -1.04 NaSO4- 1.879e-02 1.455e-02 -1.726 -1.837 -0.111 -3.68 - NaOH 1.003e-18 1.033e-18 -17.999 -17.986 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.454 -63.441 0.013 30.40 -S(-2) 3.987e-21 - HS- 2.774e-21 2.058e-21 -20.557 -20.687 -0.130 20.91 - H2S 1.214e-21 1.250e-21 -20.916 -20.903 0.013 36.27 - S-2 1.034e-26 3.577e-27 -25.986 -26.446 -0.461 (0) - (H2S)2 0.000e+00 0.000e+00 -43.097 -43.084 0.013 30.09 + O2 0.000e+00 0.000e+00 -63.446 -63.433 0.013 30.40 +S(-2) 3.840e-21 + HS- 2.671e-21 1.982e-21 -20.573 -20.703 -0.130 20.91 + H2S 1.169e-21 1.204e-21 -20.932 -20.919 0.013 36.27 + S-2 9.957e-27 3.445e-27 -26.002 -26.463 -0.461 (0) + (H2S)2 0.000e+00 0.000e+00 -43.130 -43.117 0.013 30.09 S(6) 5.553e-02 SO4-2 3.674e-02 1.256e-02 -1.435 -1.901 -0.466 25.70 NaSO4- 1.879e-02 1.455e-02 -1.726 -1.837 -0.111 -3.68 @@ -5376,10 +5320,10 @@ S(6) 5.553e-02 H2(g) -11.37 -14.47 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.91 -27.84 -7.94 H2S + H2S(g) -19.92 -27.86 -7.94 H2S Mirabilite -2.97 -4.21 -1.24 Na2SO4:10H2O - O2(g) -60.55 -63.44 -2.89 O2 - Sulfur -14.46 -9.58 4.88 S + O2(g) -60.54 -63.43 -2.89 O2 + Sulfur -14.48 -9.59 4.88 S Thenardite -3.90 -4.20 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -5425,9 +5369,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.373e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.254e-17 + Total alkalinity (eq/kg) = 1.502e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-12 + Electrical balance (eq) = 1.956e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -5441,19 +5385,18 @@ Reaction 1. OH- 1.988e-07 1.465e-07 -6.702 -6.834 -0.133 -3.64 H+ 8.480e-08 6.890e-08 -7.072 -7.162 -0.090 0.00 H2O 5.551e+01 9.973e-01 1.744 -0.001 0.000 18.07 -H(0) 4.286e-39 - H2 2.143e-39 2.212e-39 -38.669 -38.655 0.014 28.61 +H(0) 4.285e-39 + H2 2.143e-39 2.211e-39 -38.669 -38.655 0.014 28.61 Na 1.192e-01 Na+ 9.842e-02 7.552e-02 -1.007 -1.122 -0.115 -1.02 NaSO4- 2.074e-02 1.598e-02 -1.683 -1.796 -0.113 -3.31 - NaOH 1.072e-18 1.106e-18 -17.970 -17.956 0.014 (0) -O(0) 1.642e-15 - O2 8.211e-16 8.474e-16 -15.086 -15.072 0.014 30.40 +O(0) 1.643e-15 + O2 8.215e-16 8.479e-16 -15.085 -15.072 0.014 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.282 -117.414 -0.133 20.92 - H2S 0.000e+00 0.000e+00 -117.648 -117.634 0.014 36.27 - S-2 0.000e+00 0.000e+00 -122.700 -123.170 -0.470 (0) - (H2S)2 0.000e+00 0.000e+00 -236.560 -236.547 0.014 30.09 + HS- 0.000e+00 0.000e+00 -117.282 -117.415 -0.133 20.92 + H2S 0.000e+00 0.000e+00 -117.648 -117.635 0.014 36.27 + S-2 0.000e+00 0.000e+00 -122.701 -123.171 -0.470 (0) + (H2S)2 0.000e+00 0.000e+00 -236.561 -236.547 0.014 30.09 S(6) 5.958e-02 SO4-2 3.884e-02 1.300e-02 -1.411 -1.886 -0.475 26.02 NaSO4- 2.074e-02 1.598e-02 -1.683 -1.796 -0.113 -3.31 @@ -5506,7 +5449,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.164 Charge balance - pe = -1.323 Adjusted to redox equilibrium + pe = -1.321 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10899 Density (g/cm³) = 1.00497 Volume (L) = 1.00385 @@ -5514,9 +5457,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.426e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.912e-17 + Total alkalinity (eq/kg) = 2.522e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.004e-13 + Electrical balance (eq) = 1.202e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -5530,19 +5473,18 @@ Reaction 1. OH- 2.006e-07 1.472e-07 -6.698 -6.832 -0.134 -3.63 H+ 8.453e-08 6.855e-08 -7.073 -7.164 -0.091 0.00 H2O 5.551e+01 9.972e-01 1.744 -0.001 0.000 18.07 -H(0) 2.844e-15 - H2 1.422e-15 1.470e-15 -14.847 -14.833 0.014 28.61 +H(0) 2.825e-15 + H2 1.412e-15 1.459e-15 -14.850 -14.836 0.014 28.61 Na 1.245e-01 Na+ 1.024e-01 7.839e-02 -0.990 -1.106 -0.116 -1.02 NaSO4- 2.204e-02 1.694e-02 -1.657 -1.771 -0.114 -3.08 - NaOH 1.117e-18 1.154e-18 -17.952 -17.938 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.731 -62.717 0.014 30.40 -S(-2) 1.482e-22 - HS- 1.039e-22 7.630e-23 -21.983 -22.117 -0.134 20.93 - H2S 4.425e-23 4.573e-23 -22.354 -22.340 0.014 36.27 - S-2 4.018e-28 1.344e-28 -27.396 -27.871 -0.476 (0) - (H2S)2 0.000e+00 0.000e+00 -45.972 -45.958 0.014 30.09 + O2 0.000e+00 0.000e+00 -62.725 -62.711 0.014 30.40 +S(-2) 1.442e-22 + HS- 1.011e-22 7.424e-23 -21.995 -22.129 -0.134 20.93 + H2S 4.306e-23 4.449e-23 -22.366 -22.352 0.014 36.27 + S-2 3.910e-28 1.308e-28 -27.408 -27.883 -0.476 (0) + (H2S)2 0.000e+00 0.000e+00 -45.996 -45.982 0.014 30.09 S(6) 6.224e-02 SO4-2 4.019e-02 1.327e-02 -1.396 -1.877 -0.481 26.23 NaSO4- 2.204e-02 1.694e-02 -1.657 -1.771 -0.114 -3.08 @@ -5552,12 +5494,12 @@ S(6) 6.224e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.73 -14.83 -3.10 H2 + H2(g) -11.73 -14.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.35 -29.28 -7.94 H2S + H2S(g) -21.36 -29.29 -7.94 H2S Mirabilite -2.86 -4.10 -1.24 Na2SO4:10H2O - O2(g) -59.82 -62.72 -2.89 O2 - Sulfur -15.54 -10.66 4.88 S + O2(g) -59.82 -62.71 -2.89 O2 + Sulfur -15.55 -10.67 4.88 S Thenardite -3.79 -4.09 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -5595,7 +5537,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.166 Charge balance - pe = -1.157 Adjusted to redox equilibrium + pe = -1.159 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11291 Density (g/cm³) = 1.00530 Volume (L) = 1.00389 @@ -5603,11 +5545,11 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.479e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.210e-17 + Total alkalinity (eq/kg) = 1.607e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.819e-14 + Electrical balance (eq) = -1.406e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.576562e+01 @@ -5619,19 +5561,18 @@ Reaction 1. OH- 2.023e-07 1.479e-07 -6.694 -6.830 -0.136 -3.61 H+ 8.427e-08 6.822e-08 -7.074 -7.166 -0.092 0.00 H2O 5.551e+01 9.971e-01 1.744 -0.001 0.000 18.07 -H(0) 1.312e-15 - H2 6.561e-16 6.789e-16 -15.183 -15.168 0.015 28.61 +H(0) 1.324e-15 + H2 6.620e-16 6.850e-16 -15.179 -15.164 0.015 28.61 Na 1.297e-01 Na+ 1.064e-01 8.118e-02 -0.973 -1.091 -0.117 -1.01 NaSO4- 2.334e-02 1.788e-02 -1.632 -1.748 -0.116 -2.86 - NaOH 1.161e-18 1.201e-18 -17.935 -17.920 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.061 -62.046 0.015 30.40 -S(-2) 6.859e-24 - HS- 4.825e-24 3.528e-24 -23.317 -23.452 -0.136 20.94 - H2S 2.034e-24 2.104e-24 -23.692 -23.677 0.015 36.27 - S-2 1.890e-29 6.246e-30 -28.724 -29.204 -0.481 (0) - (H2S)2 0.000e+00 0.000e+00 -48.647 -48.632 0.015 30.09 + O2 0.000e+00 0.000e+00 -62.069 -62.054 0.015 30.40 +S(-2) 7.108e-24 + HS- 5.000e-24 3.656e-24 -23.301 -23.437 -0.136 20.94 + H2S 2.108e-24 2.181e-24 -23.676 -23.661 0.015 36.27 + S-2 1.958e-29 6.473e-30 -28.708 -29.189 -0.481 (0) + (H2S)2 0.000e+00 0.000e+00 -48.616 -48.601 0.015 30.09 S(6) 6.485e-02 SO4-2 4.151e-02 1.353e-02 -1.382 -1.869 -0.487 26.43 NaSO4- 2.334e-02 1.788e-02 -1.632 -1.748 -0.116 -2.86 @@ -5641,12 +5582,12 @@ S(6) 6.485e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.07 -15.17 -3.10 H2 + H2(g) -12.06 -15.16 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -22.68 -30.62 -7.94 H2S + H2S(g) -22.67 -30.60 -7.94 H2S Mirabilite -2.82 -4.06 -1.24 Na2SO4:10H2O - O2(g) -59.15 -62.05 -2.89 O2 - Sulfur -16.54 -11.66 4.88 S + O2(g) -59.16 -62.05 -2.89 O2 + Sulfur -16.53 -11.65 4.88 S Thenardite -3.75 -4.05 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -5692,7 +5633,7 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.611e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.055e-17 + Total alkalinity (eq/kg) = 3.128e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.619e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -5708,19 +5649,18 @@ Reaction 1. OH- 2.065e-07 1.496e-07 -6.685 -6.825 -0.140 -3.58 H+ 8.367e-08 6.745e-08 -7.077 -7.171 -0.094 0.00 H2O 5.551e+01 9.968e-01 1.744 -0.001 0.000 18.07 -H(0) 3.068e-39 - H2 1.534e-39 1.592e-39 -38.814 -38.798 0.016 28.61 +H(0) 3.064e-39 + H2 1.532e-39 1.590e-39 -38.815 -38.799 0.016 28.61 Na 1.431e-01 Na+ 1.163e-01 8.826e-02 -0.934 -1.054 -0.120 -0.99 NaSO4- 2.675e-02 2.035e-02 -1.573 -1.691 -0.119 -2.33 - NaOH 1.272e-18 1.320e-18 -17.895 -17.879 0.016 (0) -O(0) 3.149e-15 - O2 1.575e-15 1.634e-15 -14.803 -14.787 0.016 30.40 +O(0) 3.159e-15 + O2 1.579e-15 1.639e-15 -14.802 -14.785 0.016 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.816 -117.956 -0.140 20.95 - H2S 0.000e+00 0.000e+00 -118.202 -118.186 0.016 36.27 - S-2 0.000e+00 0.000e+00 -123.210 -123.703 -0.494 (0) - (H2S)2 0.000e+00 0.000e+00 -237.666 -237.650 0.016 30.09 + HS- 0.000e+00 0.000e+00 -117.819 -117.959 -0.140 20.95 + H2S 0.000e+00 0.000e+00 -118.204 -118.188 0.016 36.27 + S-2 0.000e+00 0.000e+00 -123.212 -123.706 -0.494 (0) + (H2S)2 0.000e+00 0.000e+00 -237.671 -237.655 0.016 30.09 S(6) 7.154e-02 SO4-2 4.479e-02 1.416e-02 -1.349 -1.849 -0.500 26.91 NaSO4- 2.675e-02 2.035e-02 -1.573 -1.691 -0.119 -2.33 @@ -5773,7 +5713,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.173 Charge balance - pe = 10.652 Adjusted to redox equilibrium + pe = 10.654 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12778 Density (g/cm³) = 1.00657 Volume (L) = 1.00405 @@ -5781,7 +5721,7 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.678e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.720e-17 + Total alkalinity (eq/kg) = -4.780e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.489e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -5797,19 +5737,18 @@ Reaction 1. OH- 2.085e-07 1.504e-07 -6.681 -6.823 -0.142 -3.57 H+ 8.339e-08 6.709e-08 -7.079 -7.173 -0.094 0.00 H2O 5.551e+01 9.967e-01 1.744 -0.001 0.000 18.07 -H(0) 3.043e-39 - H2 1.521e-39 1.581e-39 -38.818 -38.801 0.017 28.61 +H(0) 3.021e-39 + H2 1.511e-39 1.570e-39 -38.821 -38.804 0.017 28.61 Na 1.499e-01 Na+ 1.214e-01 9.185e-02 -0.916 -1.037 -0.121 -0.98 NaSO4- 2.853e-02 2.164e-02 -1.545 -1.665 -0.120 -2.07 - NaOH 1.329e-18 1.381e-18 -17.877 -17.860 0.017 (0) -O(0) 3.186e-15 - O2 1.593e-15 1.656e-15 -14.798 -14.781 0.017 30.40 +O(0) 3.231e-15 + O2 1.616e-15 1.679e-15 -14.792 -14.775 0.017 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.819 -117.961 -0.142 20.96 - H2S 0.000e+00 0.000e+00 -118.209 -118.193 0.017 36.27 - S-2 0.000e+00 0.000e+00 -123.206 -123.706 -0.500 (0) - (H2S)2 0.000e+00 0.000e+00 -237.680 -237.663 0.017 30.09 + HS- 0.000e+00 0.000e+00 -117.831 -117.973 -0.142 20.96 + H2S 0.000e+00 0.000e+00 -118.222 -118.205 0.017 36.27 + S-2 0.000e+00 0.000e+00 -123.218 -123.718 -0.500 (0) + (H2S)2 0.000e+00 0.000e+00 -237.705 -237.688 0.017 30.09 S(6) 7.496e-02 SO4-2 4.643e-02 1.447e-02 -1.333 -1.839 -0.506 27.14 NaSO4- 2.853e-02 2.164e-02 -1.545 -1.665 -0.120 -2.07 @@ -5821,10 +5760,10 @@ S(6) 7.496e-02 H2(g) -35.70 -38.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -117.20 -125.13 -7.94 H2S + H2S(g) -117.21 -125.15 -7.94 H2S Mirabilite -2.69 -3.93 -1.24 Na2SO4:10H2O - O2(g) -11.89 -14.78 -2.89 O2 - Sulfur -87.42 -82.54 4.88 S + O2(g) -11.88 -14.77 -2.89 O2 + Sulfur -87.43 -82.55 4.88 S Thenardite -3.61 -3.91 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -5862,7 +5801,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.175 Charge balance - pe = 10.636 Adjusted to redox equilibrium + pe = 10.637 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13070 Density (g/cm³) = 1.00683 Volume (L) = 1.00408 @@ -5870,7 +5809,7 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.718e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.629e-17 + Total alkalinity (eq/kg) = 3.903e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.411e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -5886,19 +5825,18 @@ Reaction 1. OH- 2.097e-07 1.508e-07 -6.678 -6.822 -0.143 -3.56 H+ 8.323e-08 6.688e-08 -7.080 -7.175 -0.095 0.00 H2O 5.551e+01 9.966e-01 1.744 -0.001 0.000 18.07 -H(0) 3.249e-39 - H2 1.625e-39 1.690e-39 -38.789 -38.772 0.017 28.61 +H(0) 3.241e-39 + H2 1.620e-39 1.686e-39 -38.790 -38.773 0.017 28.61 Na 1.540e-01 Na+ 1.244e-01 9.395e-02 -0.905 -1.027 -0.122 -0.97 NaSO4- 2.959e-02 2.240e-02 -1.529 -1.650 -0.121 -1.93 - NaOH 1.362e-18 1.417e-18 -17.866 -17.849 0.017 (0) -O(0) 2.786e-15 - O2 1.393e-15 1.449e-15 -14.856 -14.839 0.017 30.40 +O(0) 2.801e-15 + O2 1.400e-15 1.457e-15 -14.854 -14.837 0.017 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.698 -117.841 -0.143 20.96 - H2S 0.000e+00 0.000e+00 -118.092 -118.074 0.017 36.27 - S-2 0.000e+00 0.000e+00 -123.082 -123.585 -0.503 (0) - (H2S)2 0.000e+00 0.000e+00 -237.444 -237.427 0.017 30.09 + HS- 0.000e+00 0.000e+00 -117.703 -117.846 -0.143 20.96 + H2S 0.000e+00 0.000e+00 -118.096 -118.079 0.017 36.27 + S-2 0.000e+00 0.000e+00 -123.086 -123.589 -0.503 (0) + (H2S)2 0.000e+00 0.000e+00 -237.453 -237.436 0.017 30.09 S(6) 7.698e-02 SO4-2 4.739e-02 1.465e-02 -1.324 -1.834 -0.510 27.28 NaSO4- 2.959e-02 2.240e-02 -1.529 -1.650 -0.121 -1.93 @@ -5912,8 +5850,8 @@ S(6) 7.698e-02 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -117.08 -125.02 -7.94 H2S Mirabilite -2.66 -3.90 -1.24 Na2SO4:10H2O - O2(g) -11.95 -14.84 -2.89 O2 - Sulfur -87.33 -82.45 4.88 S + O2(g) -11.94 -14.84 -2.89 O2 + Sulfur -87.34 -82.46 4.88 S Thenardite -3.59 -3.89 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -5951,7 +5889,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.182 Charge balance - pe = -1.521 Adjusted to redox equilibrium + pe = -1.523 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14726 Density (g/cm³) = 1.00828 Volume (L) = 1.00427 @@ -5959,9 +5897,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.941e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.487e-17 + Total alkalinity (eq/kg) = 3.579e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.470e-11 + Electrical balance (eq) = 1.469e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -5975,19 +5913,18 @@ Reaction 1. OH- 2.159e-07 1.532e-07 -6.666 -6.815 -0.149 -3.51 H+ 8.242e-08 6.583e-08 -7.084 -7.182 -0.098 0.00 H2O 5.551e+01 9.961e-01 1.744 -0.002 0.000 18.07 -H(0) 6.476e-15 - H2 3.238e-15 3.386e-15 -14.490 -14.470 0.019 28.61 +H(0) 6.531e-15 + H2 3.265e-15 3.415e-15 -14.486 -14.467 0.019 28.61 Na 1.772e-01 Na+ 1.414e-01 1.059e-01 -0.850 -0.975 -0.125 -0.94 NaSO4- 3.586e-02 2.689e-02 -1.445 -1.570 -0.125 -1.14 - NaOH 1.551e-18 1.622e-18 -17.809 -17.790 0.019 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.462 -63.443 0.019 30.40 -S(-2) 4.779e-21 - HS- 3.437e-21 2.438e-21 -20.464 -20.613 -0.149 20.99 - H2S 1.342e-21 1.403e-21 -20.872 -20.853 0.019 36.27 - S-2 1.486e-26 4.473e-27 -25.828 -26.349 -0.521 (0) - (H2S)2 0.000e+00 0.000e+00 -43.003 -42.984 0.019 30.09 + O2 0.000e+00 0.000e+00 -63.469 -63.450 0.019 30.40 +S(-2) 4.941e-21 + HS- 3.554e-21 2.521e-21 -20.449 -20.598 -0.149 20.99 + H2S 1.387e-21 1.451e-21 -20.858 -20.838 0.019 36.27 + S-2 1.537e-26 4.625e-27 -25.813 -26.335 -0.521 (0) + (H2S)2 0.000e+00 0.000e+00 -42.974 -42.955 0.019 30.09 S(6) 8.861e-02 SO4-2 5.275e-02 1.559e-02 -1.278 -1.807 -0.529 28.02 NaSO4- 3.586e-02 2.689e-02 -1.445 -1.570 -0.125 -1.14 @@ -5999,10 +5936,10 @@ S(6) 8.861e-02 H2(g) -11.37 -14.47 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.86 -27.79 -7.94 H2S + H2S(g) -19.84 -27.78 -7.94 H2S Mirabilite -2.53 -3.77 -1.24 Na2SO4:10H2O - O2(g) -60.55 -63.44 -2.89 O2 - Sulfur -14.41 -9.53 4.88 S + O2(g) -60.56 -63.45 -2.89 O2 + Sulfur -14.40 -9.52 4.88 S Thenardite -3.46 -3.76 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6040,7 +5977,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.382 Adjusted to redox equilibrium + pe = -1.388 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16099 Density (g/cm³) = 1.00951 Volume (L) = 1.00443 @@ -6048,9 +5985,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.127e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.728e-16 + Total alkalinity (eq/kg) = -2.897e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.775e-10 + Electrical balance (eq) = -9.279e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -6064,19 +6001,18 @@ Reaction 1. OH- 2.206e-07 1.549e-07 -6.656 -6.810 -0.154 -3.47 H+ 8.183e-08 6.507e-08 -7.087 -7.187 -0.100 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.07 -H(0) 3.309e-15 - H2 1.655e-15 1.738e-15 -14.781 -14.760 0.021 28.61 +H(0) 3.411e-15 + H2 1.706e-15 1.791e-15 -14.768 -14.747 0.021 28.61 Na 1.970e-01 Na+ 1.556e-01 1.159e-01 -0.808 -0.936 -0.128 -0.92 NaSO4- 4.139e-02 3.080e-02 -1.383 -1.511 -0.128 -0.54 - NaOH 1.709e-18 1.795e-18 -17.767 -17.746 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.885 -62.864 0.021 30.40 -S(-2) 3.445e-22 - HS- 2.496e-22 1.752e-22 -21.603 -21.756 -0.154 21.01 - H2S 9.492e-23 9.968e-23 -22.023 -22.001 0.021 36.27 - S-2 1.116e-27 3.252e-28 -26.952 -27.488 -0.535 (0) - (H2S)2 0.000e+00 0.000e+00 -45.302 -45.281 0.021 30.09 + O2 0.000e+00 0.000e+00 -62.911 -62.890 0.021 30.40 +S(-2) 3.891e-22 + HS- 2.819e-22 1.978e-22 -21.550 -21.704 -0.154 21.01 + H2S 1.072e-22 1.126e-22 -21.970 -21.949 0.021 36.27 + S-2 1.260e-27 3.672e-28 -26.900 -27.435 -0.535 (0) + (H2S)2 0.000e+00 0.000e+00 -45.197 -45.175 0.021 30.09 S(6) 9.850e-02 SO4-2 5.711e-02 1.632e-02 -1.243 -1.787 -0.544 28.61 NaSO4- 4.139e-02 3.080e-02 -1.383 -1.511 -0.128 -0.54 @@ -6086,12 +6022,12 @@ S(6) 9.850e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.66 -14.76 -3.10 H2 + H2(g) -11.65 -14.75 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.01 -28.94 -7.94 H2S + H2S(g) -20.95 -28.89 -7.94 H2S Mirabilite -2.44 -3.68 -1.24 Na2SO4:10H2O - O2(g) -59.97 -62.86 -2.89 O2 - Sulfur -15.27 -10.39 4.88 S + O2(g) -60.00 -62.89 -2.89 O2 + Sulfur -15.23 -10.35 4.88 S Thenardite -3.36 -3.66 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6129,7 +6065,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = 10.490 Adjusted to redox equilibrium + pe = 10.488 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16141 Density (g/cm³) = 1.00955 Volume (L) = 1.00444 @@ -6137,9 +6073,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.133e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.470e-17 + Total alkalinity (eq/kg) = 7.131e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.464e-13 + Electrical balance (eq) = 6.470e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -6153,19 +6089,18 @@ Reaction 1. OH- 2.208e-07 1.549e-07 -6.656 -6.810 -0.154 -3.47 H+ 8.181e-08 6.505e-08 -7.087 -7.187 -0.100 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.07 -H(0) 5.969e-39 - H2 2.984e-39 3.134e-39 -38.525 -38.504 0.021 28.61 +H(0) 6.027e-39 + H2 3.014e-39 3.165e-39 -38.521 -38.500 0.021 28.61 Na 1.976e-01 Na+ 1.560e-01 1.162e-01 -0.807 -0.935 -0.128 -0.91 NaSO4- 4.156e-02 3.092e-02 -1.381 -1.510 -0.128 -0.52 - NaOH 1.714e-18 1.800e-18 -17.766 -17.745 0.021 (0) -O(0) 8.009e-16 - O2 4.005e-16 4.206e-16 -15.397 -15.376 0.021 30.40 +O(0) 7.854e-16 + O2 3.927e-16 4.124e-16 -15.406 -15.385 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.577 -116.731 -0.154 21.01 - H2S 0.000e+00 0.000e+00 -116.998 -116.976 0.021 36.27 - S-2 0.000e+00 0.000e+00 -121.927 -122.462 -0.536 (0) - (H2S)2 0.000e+00 0.000e+00 -235.252 -235.231 0.021 30.09 + HS- 0.000e+00 0.000e+00 -116.560 -116.714 -0.154 21.01 + H2S 0.000e+00 0.000e+00 -116.980 -116.959 0.021 36.27 + S-2 0.000e+00 0.000e+00 -121.910 -122.445 -0.536 (0) + (H2S)2 0.000e+00 0.000e+00 -235.218 -235.197 0.021 30.09 S(6) 9.880e-02 SO4-2 5.724e-02 1.635e-02 -1.242 -1.787 -0.544 28.62 NaSO4- 4.156e-02 3.092e-02 -1.381 -1.510 -0.128 -0.52 @@ -6177,10 +6112,10 @@ S(6) 9.880e-02 H2(g) -35.40 -38.50 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -115.98 -123.92 -7.94 H2S + H2S(g) -115.96 -123.90 -7.94 H2S Mirabilite -2.43 -3.67 -1.24 Na2SO4:10H2O - O2(g) -12.48 -15.38 -2.89 O2 - Sulfur -86.50 -81.62 4.88 S + O2(g) -12.49 -15.38 -2.89 O2 + Sulfur -86.49 -81.61 4.88 S Thenardite -3.36 -3.66 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6218,7 +6153,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = 10.634 Adjusted to redox equilibrium + pe = 10.636 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16301 Density (g/cm³) = 1.00970 Volume (L) = 1.00446 @@ -6226,7 +6161,7 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.155e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.968e-17 + Total alkalinity (eq/kg) = 5.107e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 6.118e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -6242,19 +6177,18 @@ Reaction 1. OH- 2.213e-07 1.551e-07 -6.655 -6.809 -0.154 -3.47 H+ 8.175e-08 6.497e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 3.065e-39 - H2 1.532e-39 1.610e-39 -38.815 -38.793 0.022 28.61 +H(0) 3.046e-39 + H2 1.523e-39 1.600e-39 -38.817 -38.796 0.022 28.61 Na 1.999e-01 Na+ 1.577e-01 1.174e-01 -0.802 -0.930 -0.128 -0.91 NaSO4- 4.222e-02 3.139e-02 -1.374 -1.503 -0.129 -0.45 - NaOH 1.733e-18 1.821e-18 -17.761 -17.740 0.022 (0) -O(0) 3.033e-15 - O2 1.516e-15 1.594e-15 -14.819 -14.798 0.022 30.40 +O(0) 3.071e-15 + O2 1.535e-15 1.613e-15 -14.814 -14.792 0.022 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.732 -117.886 -0.154 21.01 - H2S 0.000e+00 0.000e+00 -118.154 -118.132 0.022 36.27 - S-2 0.000e+00 0.000e+00 -123.080 -123.617 -0.537 (0) - (H2S)2 0.000e+00 0.000e+00 -237.564 -237.542 0.022 30.09 + HS- 0.000e+00 0.000e+00 -117.743 -117.897 -0.154 21.01 + H2S 0.000e+00 0.000e+00 -118.164 -118.143 0.022 36.27 + S-2 0.000e+00 0.000e+00 -123.091 -123.628 -0.537 (0) + (H2S)2 0.000e+00 0.000e+00 -237.586 -237.564 0.022 30.09 S(6) 9.997e-02 SO4-2 5.775e-02 1.643e-02 -1.238 -1.784 -0.546 28.69 NaSO4- 4.222e-02 3.139e-02 -1.374 -1.503 -0.129 -0.45 @@ -6264,12 +6198,12 @@ S(6) 9.997e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.69 -38.79 -3.10 H2 + H2(g) -35.69 -38.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -117.14 -125.07 -7.94 H2S + H2S(g) -117.15 -125.08 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -11.91 -14.80 -2.89 O2 - Sulfur -87.37 -82.49 4.88 S + O2(g) -11.90 -14.79 -2.89 O2 + Sulfur -87.38 -82.50 4.88 S Thenardite -3.34 -3.65 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6307,7 +6241,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.358 Adjusted to redox equilibrium + pe = -1.353 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16305 Density (g/cm³) = 1.00970 Volume (L) = 1.00446 @@ -6315,9 +6249,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.155e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.605e-17 + Total alkalinity (eq/kg) = 4.332e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.372e-15 + Electrical balance (eq) = 3.358e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -6331,19 +6265,18 @@ Reaction 1. OH- 2.213e-07 1.551e-07 -6.655 -6.809 -0.154 -3.47 H+ 8.175e-08 6.497e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 2.963e-15 - H2 1.482e-15 1.557e-15 -14.829 -14.808 0.022 28.61 +H(0) 2.895e-15 + H2 1.447e-15 1.521e-15 -14.839 -14.818 0.022 28.61 Na 2.000e-01 Na+ 1.578e-01 1.174e-01 -0.802 -0.930 -0.128 -0.91 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 - NaOH 1.733e-18 1.821e-18 -17.761 -17.740 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.790 -62.768 0.022 30.40 -S(-2) 2.233e-22 - HS- 1.620e-22 1.135e-22 -21.791 -21.945 -0.154 21.01 - H2S 6.136e-23 6.448e-23 -22.212 -22.191 0.022 36.27 - S-2 7.274e-28 2.111e-28 -27.138 -27.676 -0.537 (0) - (H2S)2 0.000e+00 0.000e+00 -45.681 -45.659 0.022 30.09 + O2 0.000e+00 0.000e+00 -62.770 -62.748 0.022 30.40 +S(-2) 2.034e-22 + HS- 1.475e-22 1.034e-22 -21.831 -21.985 -0.154 21.01 + H2S 5.589e-23 5.873e-23 -22.253 -22.231 0.022 36.27 + S-2 6.625e-28 1.922e-28 -27.179 -27.716 -0.537 (0) + (H2S)2 0.000e+00 0.000e+00 -45.762 -45.740 0.022 30.09 S(6) 1.000e-01 SO4-2 5.776e-02 1.643e-02 -1.238 -1.784 -0.546 28.69 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 @@ -6353,12 +6286,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.71 -14.81 -3.10 H2 + H2(g) -11.72 -14.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.20 -29.13 -7.94 H2S + H2S(g) -21.24 -29.17 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -59.88 -62.77 -2.89 O2 - Sulfur -15.41 -10.53 4.88 S + O2(g) -59.86 -62.75 -2.89 O2 + Sulfur -15.45 -10.56 4.88 S Thenardite -3.34 -3.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6396,7 +6329,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.358 Adjusted to redox equilibrium + pe = -1.353 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16305 Density (g/cm³) = 1.00970 Volume (L) = 1.00446 @@ -6404,9 +6337,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.155e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.605e-17 + Total alkalinity (eq/kg) = 4.332e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.372e-15 + Electrical balance (eq) = 3.358e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -6420,19 +6353,18 @@ Reaction 1. OH- 2.213e-07 1.551e-07 -6.655 -6.809 -0.154 -3.47 H+ 8.175e-08 6.497e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 2.963e-15 - H2 1.482e-15 1.557e-15 -14.829 -14.808 0.022 28.61 +H(0) 2.895e-15 + H2 1.447e-15 1.521e-15 -14.839 -14.818 0.022 28.61 Na 2.000e-01 Na+ 1.578e-01 1.174e-01 -0.802 -0.930 -0.128 -0.91 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 - NaOH 1.733e-18 1.821e-18 -17.761 -17.740 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.790 -62.768 0.022 30.40 -S(-2) 2.233e-22 - HS- 1.620e-22 1.135e-22 -21.791 -21.945 -0.154 21.01 - H2S 6.136e-23 6.448e-23 -22.212 -22.191 0.022 36.27 - S-2 7.274e-28 2.111e-28 -27.138 -27.676 -0.537 (0) - (H2S)2 0.000e+00 0.000e+00 -45.681 -45.659 0.022 30.09 + O2 0.000e+00 0.000e+00 -62.770 -62.748 0.022 30.40 +S(-2) 2.034e-22 + HS- 1.475e-22 1.034e-22 -21.831 -21.985 -0.154 21.01 + H2S 5.589e-23 5.873e-23 -22.253 -22.231 0.022 36.27 + S-2 6.625e-28 1.922e-28 -27.179 -27.716 -0.537 (0) + (H2S)2 0.000e+00 0.000e+00 -45.762 -45.740 0.022 30.09 S(6) 1.000e-01 SO4-2 5.776e-02 1.643e-02 -1.238 -1.784 -0.546 28.69 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 @@ -6442,12 +6374,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.71 -14.81 -3.10 H2 + H2(g) -11.72 -14.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.20 -29.13 -7.94 H2S + H2S(g) -21.24 -29.17 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -59.88 -62.77 -2.89 O2 - Sulfur -15.41 -10.53 4.88 S + O2(g) -59.86 -62.75 -2.89 O2 + Sulfur -15.45 -10.56 4.88 S Thenardite -3.34 -3.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6485,7 +6417,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.392 Adjusted to redox equilibrium + pe = -1.399 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16331 Density (g/cm³) = 1.00972 Volume (L) = 1.00446 @@ -6493,9 +6425,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.159e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.906e-17 + Total alkalinity (eq/kg) = -4.533e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.114e-10 + Electrical balance (eq) = -2.458e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -6509,19 +6441,18 @@ Reaction 1. OH- 2.214e-07 1.551e-07 -6.655 -6.809 -0.154 -3.46 H+ 8.174e-08 6.495e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 3.460e-15 - H2 1.730e-15 1.818e-15 -14.762 -14.740 0.022 28.61 +H(0) 3.577e-15 + H2 1.789e-15 1.880e-15 -14.748 -14.726 0.022 28.61 Na 2.004e-01 Na+ 1.580e-01 1.176e-01 -0.801 -0.930 -0.128 -0.91 NaSO4- 4.235e-02 3.148e-02 -1.373 -1.502 -0.129 -0.44 - NaOH 1.736e-18 1.825e-18 -17.760 -17.739 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.925 -62.903 0.022 30.40 -S(-2) 4.155e-22 - HS- 3.014e-22 2.112e-22 -21.521 -21.675 -0.154 21.01 - H2S 1.141e-22 1.199e-22 -21.943 -21.921 0.022 36.27 - S-2 1.354e-27 3.927e-28 -26.868 -27.406 -0.538 (0) - (H2S)2 0.000e+00 0.000e+00 -45.142 -45.120 0.022 30.09 + O2 0.000e+00 0.000e+00 -62.954 -62.932 0.022 30.40 +S(-2) 4.748e-22 + HS- 3.444e-22 2.413e-22 -21.463 -21.617 -0.154 21.01 + H2S 1.304e-22 1.370e-22 -21.885 -21.863 0.022 36.27 + S-2 1.547e-27 4.487e-28 -26.810 -27.348 -0.538 (0) + (H2S)2 0.000e+00 0.000e+00 -45.026 -45.005 0.022 30.09 S(6) 1.002e-01 SO4-2 5.784e-02 1.644e-02 -1.238 -1.784 -0.546 28.70 NaSO4- 4.235e-02 3.148e-02 -1.373 -1.502 -0.129 -0.44 @@ -6531,12 +6462,12 @@ S(6) 1.002e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -11.62 -14.73 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.93 -28.86 -7.94 H2S + H2S(g) -20.87 -28.80 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -60.01 -62.90 -2.89 O2 - Sulfur -15.21 -10.33 4.88 S + O2(g) -60.04 -62.93 -2.89 O2 + Sulfur -15.17 -10.29 4.88 S Thenardite -3.34 -3.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6574,7 +6505,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.193 Charge balance - pe = 10.497 Adjusted to redox equilibrium + pe = 10.495 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18004 Density (g/cm³) = 1.01126 Volume (L) = 1.00467 @@ -6582,9 +6513,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.387e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.756e-17 + Total alkalinity (eq/kg) = 1.766e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.390e-13 + Electrical balance (eq) = 3.393e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -6598,19 +6529,18 @@ Reaction 1. OH- 2.267e-07 1.570e-07 -6.645 -6.804 -0.160 -3.42 H+ 8.113e-08 6.415e-08 -7.091 -7.193 -0.102 0.00 H2O 5.551e+01 9.951e-01 1.744 -0.002 0.000 18.07 -H(0) 5.594e-39 - H2 2.797e-39 2.955e-39 -38.553 -38.529 0.024 28.61 +H(0) 5.652e-39 + H2 2.826e-39 2.986e-39 -38.549 -38.525 0.024 28.61 Na 2.251e-01 Na+ 1.756e-01 1.299e-01 -0.755 -0.886 -0.131 -0.88 NaSO4- 4.951e-02 3.650e-02 -1.305 -1.438 -0.132 0.24 - NaOH 1.930e-18 2.039e-18 -17.714 -17.691 0.024 (0) -O(0) 8.948e-16 - O2 4.474e-16 4.727e-16 -15.349 -15.325 0.024 30.40 +O(0) 8.765e-16 + O2 4.383e-16 4.630e-16 -15.358 -15.334 0.024 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.655 -116.815 -0.160 21.03 - H2S 0.000e+00 0.000e+00 -117.090 -117.066 0.024 36.27 - S-2 0.000e+00 0.000e+00 -121.987 -122.540 -0.553 (0) - (H2S)2 0.000e+00 0.000e+00 -235.434 -235.410 0.024 30.09 + HS- 0.000e+00 0.000e+00 -116.637 -116.797 -0.160 21.03 + H2S 0.000e+00 0.000e+00 -117.072 -117.048 0.024 36.27 + S-2 0.000e+00 0.000e+00 -121.969 -122.522 -0.553 (0) + (H2S)2 0.000e+00 0.000e+00 -235.398 -235.374 0.024 30.09 S(6) 1.126e-01 SO4-2 6.305e-02 1.727e-02 -1.200 -1.763 -0.563 29.37 NaSO4- 4.951e-02 3.650e-02 -1.305 -1.438 -0.132 0.24 @@ -6620,12 +6550,12 @@ S(6) 1.126e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.43 -38.53 -3.10 H2 + H2(g) -35.42 -38.52 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -116.07 -124.01 -7.94 H2S + H2S(g) -116.05 -123.99 -7.94 H2S Mirabilite -2.32 -3.56 -1.24 Na2SO4:10H2O - O2(g) -12.43 -15.33 -2.89 O2 - Sulfur -86.57 -81.69 4.88 S + O2(g) -12.44 -15.33 -2.89 O2 + Sulfur -86.55 -81.67 4.88 S Thenardite -3.24 -3.54 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6663,7 +6593,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.196 Charge balance - pe = -1.172 Adjusted to redox equilibrium + pe = -1.184 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 19232 Density (g/cm³) = 1.01241 Volume (L) = 1.00484 @@ -6671,11 +6601,11 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.555e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.654e-16 + Total alkalinity (eq/kg) = -3.067e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.332e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Electrical balance (eq) = 5.574e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.599358e+01 @@ -6687,19 +6617,18 @@ Reaction 1. OH- 2.303e-07 1.582e-07 -6.638 -6.801 -0.163 -3.38 H+ 8.073e-08 6.363e-08 -7.093 -7.196 -0.103 0.00 H2O 5.551e+01 9.947e-01 1.744 -0.002 0.000 18.07 -H(0) 1.192e-15 - H2 5.958e-16 6.319e-16 -15.225 -15.199 0.026 28.61 +H(0) 1.261e-15 + H2 6.305e-16 6.687e-16 -15.200 -15.175 0.026 28.61 Na 2.437e-01 Na+ 1.887e-01 1.390e-01 -0.724 -0.857 -0.133 -0.86 NaSO4- 5.502e-02 4.035e-02 -1.259 -1.394 -0.135 0.71 - NaOH 2.073e-18 2.199e-18 -17.683 -17.658 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.011 -61.986 0.026 30.40 -S(-2) 6.507e-24 - HS- 4.783e-24 3.286e-24 -23.320 -23.483 -0.163 21.05 - H2S 1.724e-24 1.828e-24 -23.764 -23.738 0.026 36.27 - S-2 2.282e-29 6.237e-30 -28.642 -29.205 -0.563 (0) - (H2S)2 0.000e+00 0.000e+00 -48.780 -48.754 0.026 30.09 + O2 0.000e+00 0.000e+00 -62.061 -62.035 0.026 30.40 +S(-2) 8.161e-24 + HS- 5.999e-24 4.121e-24 -23.222 -23.385 -0.163 21.05 + H2S 2.162e-24 2.293e-24 -23.665 -23.640 0.026 36.27 + S-2 2.862e-29 7.822e-30 -28.543 -29.107 -0.563 (0) + (H2S)2 0.000e+00 0.000e+00 -48.583 -48.557 0.026 30.09 S(6) 1.218e-01 SO4-2 6.682e-02 1.783e-02 -1.175 -1.749 -0.574 29.85 NaSO4- 5.502e-02 4.035e-02 -1.259 -1.394 -0.135 0.71 @@ -6709,12 +6638,12 @@ S(6) 1.218e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.10 -15.20 -3.10 H2 + H2(g) -12.07 -15.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -22.74 -30.68 -7.94 H2S + H2S(g) -22.65 -30.58 -7.94 H2S Mirabilite -2.25 -3.49 -1.24 Na2SO4:10H2O - O2(g) -59.09 -61.99 -2.89 O2 - Sulfur -16.57 -11.69 4.88 S + O2(g) -59.14 -62.04 -2.89 O2 + Sulfur -16.50 -11.61 4.88 S Thenardite -3.16 -3.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6752,7 +6681,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.199 Charge balance - pe = -1.248 Adjusted to redox equilibrium + pe = -1.253 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20389 Density (g/cm³) = 1.01351 Volume (L) = 1.00499 @@ -6760,9 +6689,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.714e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.686e-17 + Total alkalinity (eq/kg) = 6.571e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.038e-13 + Electrical balance (eq) = 2.441e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -6776,19 +6705,18 @@ Reaction 1. OH- 2.335e-07 1.593e-07 -6.632 -6.798 -0.166 -3.35 H+ 8.039e-08 6.319e-08 -7.095 -7.199 -0.105 0.00 H2O 5.551e+01 9.944e-01 1.744 -0.002 0.000 18.07 -H(0) 1.664e-15 - H2 8.322e-16 8.859e-16 -15.080 -15.053 0.027 28.61 +H(0) 1.702e-15 + H2 8.512e-16 9.060e-16 -15.070 -15.043 0.027 28.61 Na 2.615e-01 Na+ 2.011e-01 1.476e-01 -0.697 -0.831 -0.134 -0.84 NaSO4- 6.041e-02 4.408e-02 -1.219 -1.356 -0.137 1.13 - NaOH 2.209e-18 2.351e-18 -17.656 -17.629 0.027 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.307 -62.280 0.027 30.40 -S(-2) 2.578e-23 - HS- 1.904e-23 1.299e-23 -22.720 -22.887 -0.166 21.06 - H2S 6.739e-24 7.174e-24 -23.171 -23.144 0.027 36.27 - S-2 9.280e-29 2.482e-29 -28.032 -28.605 -0.573 (0) - (H2S)2 0.000e+00 0.000e+00 -47.594 -47.567 0.027 30.09 + O2 0.000e+00 0.000e+00 -62.326 -62.299 0.027 30.40 +S(-2) 2.820e-23 + HS- 2.083e-23 1.421e-23 -22.681 -22.847 -0.166 21.06 + H2S 7.374e-24 7.849e-24 -23.132 -23.105 0.027 36.27 + S-2 1.015e-28 2.716e-29 -27.993 -28.566 -0.573 (0) + (H2S)2 0.000e+00 0.000e+00 -47.516 -47.489 0.027 30.09 S(6) 1.307e-01 SO4-2 7.032e-02 1.834e-02 -1.153 -1.736 -0.584 30.28 NaSO4- 6.041e-02 4.408e-02 -1.219 -1.356 -0.137 1.13 @@ -6798,12 +6726,12 @@ S(6) 1.307e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.95 -15.05 -3.10 H2 + H2(g) -11.94 -15.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -22.15 -30.09 -7.94 H2S + H2S(g) -22.11 -30.05 -7.94 H2S Mirabilite -2.18 -3.42 -1.24 Na2SO4:10H2O - O2(g) -59.39 -62.28 -2.89 O2 - Sulfur -16.12 -11.24 4.88 S + O2(g) -59.41 -62.30 -2.89 O2 + Sulfur -16.09 -11.21 4.88 S Thenardite -3.10 -3.40 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6841,7 +6769,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.201 Charge balance - pe = -1.462 Adjusted to redox equilibrium + pe = -1.449 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21132 Density (g/cm³) = 1.01422 Volume (L) = 1.00510 @@ -6849,9 +6777,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.816e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.364e-18 + Total alkalinity (eq/kg) = 1.678e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.016e-12 + Electrical balance (eq) = 7.698e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -6865,19 +6793,18 @@ Reaction 1. OH- 2.355e-07 1.599e-07 -6.628 -6.796 -0.168 -3.33 H+ 8.019e-08 6.292e-08 -7.096 -7.201 -0.105 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 -H(0) 4.411e-15 - H2 2.206e-15 2.353e-15 -14.656 -14.628 0.028 28.61 +H(0) 4.145e-15 + H2 2.073e-15 2.212e-15 -14.683 -14.655 0.028 28.61 Na 2.730e-01 Na+ 2.091e-01 1.532e-01 -0.680 -0.815 -0.135 -0.83 NaSO4- 6.396e-02 4.653e-02 -1.194 -1.332 -0.138 1.39 - NaOH 2.296e-18 2.450e-18 -17.639 -17.611 0.028 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.157 -63.128 0.028 30.40 -S(-2) 1.303e-21 - HS- 9.655e-22 6.556e-22 -21.015 -21.183 -0.168 21.07 - H2S 3.380e-22 3.607e-22 -21.471 -21.443 0.028 36.27 - S-2 4.768e-27 1.259e-27 -26.322 -26.900 -0.578 (0) - (H2S)2 0.000e+00 0.000e+00 -44.192 -44.164 0.028 30.09 + O2 0.000e+00 0.000e+00 -63.103 -63.075 0.028 30.40 +S(-2) 1.017e-21 + HS- 7.531e-22 5.114e-22 -21.123 -21.291 -0.168 21.07 + H2S 2.637e-22 2.813e-22 -21.579 -21.551 0.028 36.27 + S-2 3.719e-27 9.817e-28 -26.430 -27.008 -0.578 (0) + (H2S)2 0.000e+00 0.000e+00 -44.408 -44.380 0.028 30.09 S(6) 1.365e-01 SO4-2 7.255e-02 1.866e-02 -1.139 -1.729 -0.590 30.55 NaSO4- 6.396e-02 4.653e-02 -1.194 -1.332 -0.138 1.39 @@ -6887,12 +6814,12 @@ S(6) 1.365e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.53 -14.63 -3.10 H2 + H2(g) -11.55 -14.66 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -20.45 -28.38 -7.94 H2S + H2S(g) -20.56 -28.49 -7.94 H2S Mirabilite -2.14 -3.38 -1.24 Na2SO4:10H2O - O2(g) -60.24 -63.13 -2.89 O2 - Sulfur -14.85 -9.96 4.88 S + O2(g) -60.18 -63.07 -2.89 O2 + Sulfur -14.93 -10.05 4.88 S Thenardite -3.06 -3.36 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -6938,9 +6865,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.868e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.672e-17 + Total alkalinity (eq/kg) = -1.272e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.567e-14 + Electrical balance (eq) = 6.570e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -6954,19 +6881,18 @@ Reaction 1. OH- 2.365e-07 1.602e-07 -6.626 -6.795 -0.169 -3.32 H+ 8.010e-08 6.279e-08 -7.096 -7.202 -0.106 0.00 H2O 5.551e+01 9.940e-01 1.744 -0.003 0.000 18.07 -H(0) 2.845e-39 - H2 1.422e-39 1.519e-39 -38.847 -38.818 0.029 28.61 +H(0) 2.843e-39 + H2 1.421e-39 1.518e-39 -38.847 -38.819 0.029 28.61 Na 2.789e-01 Na+ 2.131e-01 1.560e-01 -0.671 -0.807 -0.135 -0.83 NaSO4- 6.577e-02 4.778e-02 -1.182 -1.321 -0.139 1.52 - NaOH 2.340e-18 2.499e-18 -17.631 -17.602 0.029 (0) -O(0) 3.340e-15 - O2 1.670e-15 1.784e-15 -14.777 -14.749 0.029 30.40 +O(0) 3.344e-15 + O2 1.672e-15 1.786e-15 -14.777 -14.748 0.029 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.771 -117.940 -0.169 21.08 - H2S 0.000e+00 0.000e+00 -118.229 -118.201 0.029 36.27 - S-2 0.000e+00 0.000e+00 -123.075 -123.656 -0.581 (0) - (H2S)2 0.000e+00 0.000e+00 -237.708 -237.680 0.029 30.09 + HS- 0.000e+00 0.000e+00 -117.772 -117.942 -0.169 21.08 + H2S 0.000e+00 0.000e+00 -118.231 -118.202 0.029 36.27 + S-2 0.000e+00 0.000e+00 -123.076 -123.657 -0.581 (0) + (H2S)2 0.000e+00 0.000e+00 -237.711 -237.682 0.029 30.09 S(6) 1.394e-01 SO4-2 7.366e-02 1.882e-02 -1.133 -1.725 -0.593 30.69 NaSO4- 6.577e-02 4.778e-02 -1.182 -1.321 -0.139 1.52 @@ -6981,7 +6907,7 @@ S(6) 1.394e-01 H2S(g) -117.21 -125.14 -7.94 H2S Mirabilite -2.13 -3.37 -1.24 Na2SO4:10H2O O2(g) -11.86 -14.75 -2.89 O2 - Sulfur -87.41 -82.53 4.88 S + Sulfur -87.42 -82.53 4.88 S Thenardite -3.04 -3.34 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7019,7 +6945,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.205 Charge balance - pe = 10.544 Adjusted to redox equilibrium + pe = 10.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 22837 Density (g/cm³) = 1.01588 Volume (L) = 1.00534 @@ -7027,9 +6953,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 3.052e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.490e-17 + Total alkalinity (eq/kg) = 1.482e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.653e-14 + Electrical balance (eq) = 2.656e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7043,19 +6969,18 @@ Reaction 1. OH- 2.398e-07 1.613e-07 -6.620 -6.792 -0.172 -3.28 H+ 7.978e-08 6.236e-08 -7.098 -7.205 -0.107 0.00 H2O 5.551e+01 9.936e-01 1.744 -0.003 0.000 18.07 -H(0) 4.196e-39 - H2 2.098e-39 2.251e-39 -38.678 -38.648 0.031 28.61 +H(0) 4.237e-39 + H2 2.118e-39 2.273e-39 -38.674 -38.643 0.031 28.61 Na 3.000e-01 Na+ 2.276e-01 1.661e-01 -0.643 -0.780 -0.137 -0.81 NaSO4- 7.240e-02 5.232e-02 -1.140 -1.281 -0.141 1.97 - NaOH 2.497e-18 2.678e-18 -17.603 -17.572 0.031 (0) -O(0) 1.514e-15 - O2 7.572e-16 8.123e-16 -15.121 -15.090 0.031 30.40 +O(0) 1.485e-15 + O2 7.427e-16 7.968e-16 -15.129 -15.099 0.031 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.075 -117.248 -0.172 21.09 - H2S 0.000e+00 0.000e+00 -117.542 -117.511 0.031 36.27 - S-2 0.000e+00 0.000e+00 -122.370 -122.961 -0.591 (0) - (H2S)2 0.000e+00 0.000e+00 -236.331 -236.301 0.031 30.09 + HS- 0.000e+00 0.000e+00 -117.059 -117.231 -0.172 21.09 + H2S 0.000e+00 0.000e+00 -117.525 -117.494 0.031 36.27 + S-2 0.000e+00 0.000e+00 -122.353 -122.944 -0.591 (0) + (H2S)2 0.000e+00 0.000e+00 -236.298 -236.267 0.031 30.09 S(6) 1.500e-01 SO4-2 7.760e-02 1.935e-02 -1.110 -1.713 -0.603 31.16 NaSO4- 7.240e-02 5.232e-02 -1.140 -1.281 -0.141 1.97 @@ -7065,12 +6990,12 @@ S(6) 1.500e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.55 -38.65 -3.10 H2 + H2(g) -35.54 -38.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -116.52 -124.45 -7.94 H2S + H2S(g) -116.50 -124.44 -7.94 H2S Mirabilite -2.06 -3.30 -1.24 Na2SO4:10H2O - O2(g) -12.20 -15.09 -2.89 O2 - Sulfur -86.90 -82.01 4.88 S + O2(g) -12.21 -15.10 -2.89 O2 + Sulfur -86.88 -82.00 4.88 S Thenardite -2.97 -3.27 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7108,7 +7033,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.208 Charge balance - pe = 10.625 Adjusted to redox equilibrium + pe = 10.627 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24122 Density (g/cm³) = 1.01715 Volume (L) = 1.00553 @@ -7116,7 +7041,7 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.231e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.147e-17 + Total alkalinity (eq/kg) = 6.193e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 6.495e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -7132,19 +7057,18 @@ Reaction 1. OH- 2.429e-07 1.622e-07 -6.615 -6.790 -0.175 -3.25 H+ 7.950e-08 6.198e-08 -7.100 -7.208 -0.108 0.00 H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.07 -H(0) 2.833e-39 - H2 1.416e-39 1.526e-39 -38.849 -38.817 0.032 28.61 +H(0) 2.809e-39 + H2 1.405e-39 1.513e-39 -38.852 -38.820 0.032 28.61 Na 3.207e-01 Na+ 2.417e-01 1.759e-01 -0.617 -0.755 -0.138 -0.79 NaSO4- 7.901e-02 5.684e-02 -1.102 -1.245 -0.143 2.39 - NaOH 2.649e-18 2.853e-18 -17.577 -17.545 0.032 (0) -O(0) 3.279e-15 - O2 1.640e-15 1.766e-15 -14.785 -14.753 0.032 30.40 +O(0) 3.335e-15 + O2 1.667e-15 1.796e-15 -14.778 -14.746 0.032 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.739 -117.914 -0.175 21.11 - H2S 0.000e+00 0.000e+00 -118.213 -118.180 0.032 36.27 - S-2 0.000e+00 0.000e+00 -123.025 -123.624 -0.600 (0) - (H2S)2 0.000e+00 0.000e+00 -237.671 -237.639 0.032 30.09 + HS- 0.000e+00 0.000e+00 -117.753 -117.929 -0.175 21.11 + H2S 0.000e+00 0.000e+00 -118.227 -118.195 0.032 36.27 + S-2 0.000e+00 0.000e+00 -123.039 -123.639 -0.600 (0) + (H2S)2 0.000e+00 0.000e+00 -237.700 -237.668 0.032 30.09 S(6) 1.604e-01 SO4-2 8.136e-02 1.985e-02 -1.090 -1.702 -0.613 31.60 NaSO4- 7.901e-02 5.684e-02 -1.102 -1.245 -0.143 2.39 @@ -7156,10 +7080,10 @@ S(6) 1.604e-01 H2(g) -35.72 -38.82 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -117.19 -125.12 -7.94 H2S + H2S(g) -117.20 -125.14 -7.94 H2S Mirabilite -2.00 -3.24 -1.24 Na2SO4:10H2O - O2(g) -11.86 -14.75 -2.89 O2 - Sulfur -87.40 -82.51 4.88 S + O2(g) -11.85 -14.75 -2.89 O2 + Sulfur -87.41 -82.52 4.88 S Thenardite -2.91 -3.21 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7197,7 +7121,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.210 Charge balance - pe = 10.604 Adjusted to redox equilibrium + pe = 10.603 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25057 Density (g/cm³) = 1.01808 Volume (L) = 1.00568 @@ -7205,7 +7129,7 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.361e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.056e-17 + Total alkalinity (eq/kg) = -2.295e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.027e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7221,19 +7145,18 @@ Reaction 1. OH- 2.450e-07 1.628e-07 -6.611 -6.788 -0.177 -3.22 H+ 7.932e-08 6.172e-08 -7.101 -7.210 -0.109 0.00 H2O 5.551e+01 9.929e-01 1.744 -0.003 0.000 18.07 -H(0) 3.089e-39 - H2 1.544e-39 1.669e-39 -38.811 -38.778 0.034 28.61 +H(0) 3.112e-39 + H2 1.556e-39 1.681e-39 -38.808 -38.774 0.034 28.61 Na 3.360e-01 Na+ 2.521e-01 1.831e-01 -0.598 -0.737 -0.139 -0.78 NaSO4- 8.395e-02 6.020e-02 -1.076 -1.220 -0.144 2.68 - NaOH 2.759e-18 2.981e-18 -17.559 -17.526 0.034 (0) -O(0) 2.732e-15 - O2 1.366e-15 1.476e-15 -14.865 -14.831 0.034 30.40 +O(0) 2.691e-15 + O2 1.346e-15 1.454e-15 -14.871 -14.837 0.034 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.575 -117.752 -0.177 21.12 - H2S 0.000e+00 0.000e+00 -118.054 -118.020 0.034 36.27 - S-2 0.000e+00 0.000e+00 -122.855 -123.461 -0.606 (0) - (H2S)2 0.000e+00 0.000e+00 -237.352 -237.319 0.034 30.09 + HS- 0.000e+00 0.000e+00 -117.562 -117.739 -0.177 21.12 + H2S 0.000e+00 0.000e+00 -118.041 -118.007 0.034 36.27 + S-2 0.000e+00 0.000e+00 -122.842 -123.448 -0.606 (0) + (H2S)2 0.000e+00 0.000e+00 -237.326 -237.293 0.034 30.09 S(6) 1.680e-01 SO4-2 8.406e-02 2.020e-02 -1.075 -1.695 -0.619 31.91 NaSO4- 8.395e-02 6.020e-02 -1.076 -1.220 -0.144 2.68 @@ -7243,12 +7166,12 @@ S(6) 1.680e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.68 -38.78 -3.10 H2 + H2(g) -35.67 -38.77 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -117.03 -124.96 -7.94 H2S + H2S(g) -117.01 -124.95 -7.94 H2S Mirabilite -1.96 -3.20 -1.24 Na2SO4:10H2O - O2(g) -11.94 -14.83 -2.89 O2 - Sulfur -87.27 -82.39 4.88 S + O2(g) -11.95 -14.84 -2.89 O2 + Sulfur -87.26 -82.38 4.88 S Thenardite -2.87 -3.17 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7286,7 +7209,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.212 Charge balance - pe = 10.521 Adjusted to redox equilibrium + pe = 10.525 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 26486 Density (g/cm³) = 1.01953 Volume (L) = 1.00590 @@ -7294,9 +7217,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.562e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.605e-18 + Total alkalinity (eq/kg) = 1.462e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.357e-15 + Electrical balance (eq) = -5.440e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7310,19 +7233,18 @@ Reaction 1. OH- 2.481e-07 1.637e-07 -6.605 -6.786 -0.181 -3.19 H+ 7.906e-08 6.136e-08 -7.102 -7.212 -0.110 0.00 H2O 5.551e+01 9.924e-01 1.744 -0.003 0.000 18.07 -H(0) 4.466e-39 - H2 2.233e-39 2.424e-39 -38.651 -38.615 0.036 28.61 +H(0) 4.379e-39 + H2 2.190e-39 2.377e-39 -38.660 -38.624 0.036 28.61 Na 3.597e-01 Na+ 2.680e-01 1.942e-01 -0.572 -0.712 -0.140 -0.76 NaSO4- 9.172e-02 6.546e-02 -1.038 -1.184 -0.146 3.11 - NaOH 2.929e-18 3.179e-18 -17.533 -17.498 0.036 (0) -O(0) 1.287e-15 - O2 6.437e-16 6.987e-16 -15.191 -15.156 0.036 30.40 +O(0) 1.339e-15 + O2 6.695e-16 7.268e-16 -15.174 -15.139 0.036 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.914 -117.095 -0.181 21.14 - H2S 0.000e+00 0.000e+00 -117.401 -117.365 0.036 36.27 - S-2 0.000e+00 0.000e+00 -122.186 -122.800 -0.615 (0) - (H2S)2 0.000e+00 0.000e+00 -236.044 -236.008 0.036 30.09 + HS- 0.000e+00 0.000e+00 -116.948 -117.129 -0.181 21.14 + H2S 0.000e+00 0.000e+00 -117.435 -117.399 0.036 36.27 + S-2 0.000e+00 0.000e+00 -122.220 -122.835 -0.615 (0) + (H2S)2 0.000e+00 0.000e+00 -236.112 -236.077 0.036 30.09 S(6) 1.799e-01 NaSO4- 9.172e-02 6.546e-02 -1.038 -1.184 -0.146 3.11 SO4-2 8.815e-02 2.071e-02 -1.055 -1.684 -0.629 32.38 @@ -7332,12 +7254,12 @@ S(6) 1.799e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.51 -38.62 -3.10 H2 + H2(g) -35.52 -38.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -116.37 -124.31 -7.94 H2S + H2S(g) -116.40 -124.34 -7.94 H2S Mirabilite -1.90 -3.14 -1.24 Na2SO4:10H2O - O2(g) -12.26 -15.16 -2.89 O2 - Sulfur -86.78 -81.90 4.88 S + O2(g) -12.25 -15.14 -2.89 O2 + Sulfur -86.81 -81.93 4.88 S Thenardite -2.81 -3.11 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7375,7 +7297,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.215 Charge balance - pe = -1.382 Adjusted to redox equilibrium + pe = -1.368 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 28358 Density (g/cm³) = 1.02146 Volume (L) = 1.00621 @@ -7383,9 +7305,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.826e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.331e-17 + Total alkalinity (eq/kg) = 9.342e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.978e-11 + Electrical balance (eq) = -2.168e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7399,19 +7321,18 @@ Reaction 1. OH- 2.519e-07 1.647e-07 -6.599 -6.783 -0.184 -3.14 H+ 7.878e-08 6.093e-08 -7.104 -7.215 -0.112 0.00 H2O 5.551e+01 9.918e-01 1.744 -0.004 0.000 18.07 -H(0) 2.795e-15 - H2 1.397e-15 1.526e-15 -14.855 -14.816 0.038 28.61 +H(0) 2.622e-15 + H2 1.311e-15 1.432e-15 -14.882 -14.844 0.038 28.61 Na 3.914e-01 Na+ 2.891e-01 2.089e-01 -0.539 -0.680 -0.141 -0.73 NaSO4- 1.023e-01 7.259e-02 -0.990 -1.139 -0.149 3.65 - NaOH 3.152e-18 3.442e-18 -17.501 -17.463 0.038 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.793 -62.754 0.038 30.40 -S(-2) 2.614e-22 - HS- 1.981e-22 1.296e-22 -21.703 -21.887 -0.184 21.16 - H2S 6.323e-23 6.905e-23 -22.199 -22.161 0.038 36.27 - S-2 1.086e-27 2.569e-28 -26.964 -27.590 -0.626 (0) - (H2S)2 0.000e+00 0.000e+00 -45.638 -45.600 0.038 30.09 + O2 0.000e+00 0.000e+00 -62.737 -62.699 0.038 30.40 +S(-2) 2.027e-22 + HS- 1.536e-22 1.005e-22 -21.813 -21.998 -0.184 21.16 + H2S 4.903e-23 5.354e-23 -22.310 -22.271 0.038 36.27 + S-2 8.418e-28 1.992e-28 -27.075 -27.701 -0.626 (0) + (H2S)2 0.000e+00 0.000e+00 -45.859 -45.821 0.038 30.09 S(6) 1.957e-01 NaSO4- 1.023e-01 7.259e-02 -0.990 -1.139 -0.149 3.65 SO4-2 9.343e-02 2.134e-02 -1.030 -1.671 -0.641 32.98 @@ -7421,12 +7342,12 @@ S(6) 1.957e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.72 -14.82 -3.10 H2 + H2(g) -11.74 -14.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -21.17 -29.10 -7.94 H2S + H2S(g) -21.28 -29.21 -7.94 H2S Mirabilite -1.83 -3.07 -1.24 Na2SO4:10H2O - O2(g) -59.86 -62.75 -2.89 O2 - Sulfur -15.38 -10.49 4.88 S + O2(g) -59.81 -62.70 -2.89 O2 + Sulfur -15.46 -10.58 4.88 S Thenardite -2.73 -3.03 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7464,7 +7385,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.216 Charge balance - pe = 10.356 Adjusted to redox equilibrium + pe = 10.382 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 28799 Density (g/cm³) = 1.02192 Volume (L) = 1.00628 @@ -7472,9 +7393,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.888e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.578e-17 + Total alkalinity (eq/kg) = -3.276e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.108e-15 + Electrical balance (eq) = -4.330e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7488,19 +7409,18 @@ Reaction 1. OH- 2.527e-07 1.650e-07 -6.597 -6.783 -0.185 -3.13 H+ 7.871e-08 6.084e-08 -7.104 -7.216 -0.112 0.00 H2O 5.551e+01 9.916e-01 1.744 -0.004 0.000 18.07 -H(0) 9.298e-39 - H2 4.649e-39 5.084e-39 -38.333 -38.294 0.039 28.61 +H(0) 8.236e-39 + H2 4.118e-39 4.503e-39 -38.385 -38.346 0.039 28.61 Na 3.990e-01 Na+ 2.942e-01 2.124e-01 -0.531 -0.673 -0.141 -0.73 NaSO4- 1.048e-01 7.430e-02 -0.979 -1.129 -0.150 3.77 - NaOH 3.204e-18 3.504e-18 -17.494 -17.455 0.039 (0) -O(0) 2.900e-16 - O2 1.450e-16 1.586e-16 -15.839 -15.800 0.039 30.40 +O(0) 3.696e-16 + O2 1.848e-16 2.021e-16 -15.733 -15.694 0.039 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -115.609 -115.794 -0.185 21.16 - H2S 0.000e+00 0.000e+00 -116.107 -116.068 0.039 36.27 - S-2 0.000e+00 0.000e+00 -120.868 -121.496 -0.628 (0) - (H2S)2 0.000e+00 0.000e+00 -233.453 -233.415 0.039 30.09 + HS- 0.000e+00 0.000e+00 -115.820 -116.005 -0.185 21.16 + H2S 0.000e+00 0.000e+00 -116.318 -116.279 0.039 36.27 + S-2 0.000e+00 0.000e+00 -121.079 -121.707 -0.628 (0) + (H2S)2 0.000e+00 0.000e+00 -233.875 -233.836 0.039 30.09 S(6) 1.995e-01 NaSO4- 1.048e-01 7.430e-02 -0.979 -1.129 -0.150 3.77 SO4-2 9.466e-02 2.149e-02 -1.024 -1.668 -0.644 33.12 @@ -7510,12 +7430,12 @@ S(6) 1.995e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.19 -38.29 -3.10 H2 + H2(g) -35.25 -38.35 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -115.07 -123.01 -7.94 H2S + H2S(g) -115.28 -123.22 -7.94 H2S Mirabilite -1.81 -3.05 -1.24 Na2SO4:10H2O - O2(g) -12.91 -15.80 -2.89 O2 - Sulfur -85.81 -80.92 4.88 S + O2(g) -12.80 -15.69 -2.89 O2 + Sulfur -85.96 -81.08 4.88 S Thenardite -2.71 -3.01 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7553,7 +7473,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.216 Charge balance - pe = 10.468 Adjusted to redox equilibrium + pe = 10.463 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29077 Density (g/cm³) = 1.02221 Volume (L) = 1.00633 @@ -7561,9 +7481,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.928e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.746e-17 + Total alkalinity (eq/kg) = 1.141e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.803e-15 + Electrical balance (eq) = -3.747e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7577,19 +7497,18 @@ Reaction 1. OH- 2.532e-07 1.651e-07 -6.596 -6.782 -0.186 -3.12 H+ 7.868e-08 6.079e-08 -7.104 -7.216 -0.112 0.00 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 18.07 -H(0) 5.534e-39 - H2 2.767e-39 3.029e-39 -38.558 -38.519 0.039 28.61 +H(0) 5.675e-39 + H2 2.838e-39 3.106e-39 -38.547 -38.508 0.039 28.61 Na 4.038e-01 Na+ 2.973e-01 2.146e-01 -0.527 -0.668 -0.142 -0.72 NaSO4- 1.065e-01 7.539e-02 -0.973 -1.123 -0.150 3.85 - NaOH 3.237e-18 3.544e-18 -17.490 -17.451 0.039 (0) -O(0) 8.163e-16 - O2 4.081e-16 4.468e-16 -15.389 -15.350 0.039 30.40 +O(0) 7.760e-16 + O2 3.880e-16 4.247e-16 -15.411 -15.372 0.039 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.507 -116.692 -0.186 21.16 - H2S 0.000e+00 0.000e+00 -117.006 -116.967 0.039 36.27 - S-2 0.000e+00 0.000e+00 -121.764 -122.394 -0.630 (0) - (H2S)2 0.000e+00 0.000e+00 -235.251 -235.212 0.039 30.09 + HS- 0.000e+00 0.000e+00 -116.463 -116.648 -0.186 21.16 + H2S 0.000e+00 0.000e+00 -116.962 -116.923 0.039 36.27 + S-2 0.000e+00 0.000e+00 -121.720 -122.350 -0.630 (0) + (H2S)2 0.000e+00 0.000e+00 -235.164 -235.124 0.039 30.09 S(6) 2.019e-01 NaSO4- 1.065e-01 7.539e-02 -0.973 -1.123 -0.150 3.85 SO4-2 9.543e-02 2.158e-02 -1.020 -1.666 -0.646 33.21 @@ -7599,12 +7518,12 @@ S(6) 2.019e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.42 -38.52 -3.10 H2 + H2(g) -35.41 -38.51 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -115.97 -123.91 -7.94 H2S + H2S(g) -115.93 -123.86 -7.94 H2S Mirabilite -1.80 -3.04 -1.24 Na2SO4:10H2O - O2(g) -12.46 -15.35 -2.89 O2 - Sulfur -86.48 -81.60 4.88 S + O2(g) -12.48 -15.37 -2.89 O2 + Sulfur -86.45 -81.57 4.88 S Thenardite -2.70 -3.00 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7642,7 +7561,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.216 Charge balance - pe = 10.597 Adjusted to redox equilibrium + pe = 10.596 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29213 Density (g/cm³) = 1.02235 Volume (L) = 1.00635 @@ -7650,9 +7569,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 3.947e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.881e-17 + Total alkalinity (eq/kg) = 8.184e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.358e-15 + Electrical balance (eq) = -3.525e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7666,19 +7585,18 @@ Reaction 1. OH- 2.535e-07 1.652e-07 -6.596 -6.782 -0.186 -3.12 H+ 7.866e-08 6.076e-08 -7.104 -7.216 -0.112 0.00 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 18.07 -H(0) 3.059e-39 - H2 1.529e-39 1.675e-39 -38.816 -38.776 0.039 28.61 +H(0) 3.073e-39 + H2 1.536e-39 1.683e-39 -38.814 -38.774 0.039 28.61 Na 4.062e-01 Na+ 2.989e-01 2.157e-01 -0.524 -0.666 -0.142 -0.72 NaSO4- 1.073e-01 7.592e-02 -0.970 -1.120 -0.150 3.89 - NaOH 3.254e-18 3.563e-18 -17.488 -17.448 0.039 (0) -O(0) 2.668e-15 - O2 1.334e-15 1.461e-15 -14.875 -14.835 0.039 30.40 +O(0) 2.644e-15 + O2 1.322e-15 1.448e-15 -14.879 -14.839 0.039 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.535 -117.721 -0.186 21.17 - H2S 0.000e+00 0.000e+00 -118.035 -117.996 0.039 36.27 - S-2 0.000e+00 0.000e+00 -122.792 -123.422 -0.631 (0) - (H2S)2 0.000e+00 0.000e+00 -237.309 -237.269 0.039 30.09 + HS- 0.000e+00 0.000e+00 -117.527 -117.713 -0.186 21.17 + H2S 0.000e+00 0.000e+00 -118.027 -117.988 0.039 36.27 + S-2 0.000e+00 0.000e+00 -122.784 -123.414 -0.631 (0) + (H2S)2 0.000e+00 0.000e+00 -237.293 -237.253 0.039 30.09 S(6) 2.031e-01 NaSO4- 1.073e-01 7.592e-02 -0.970 -1.120 -0.150 3.89 SO4-2 9.581e-02 2.162e-02 -1.019 -1.665 -0.647 33.25 @@ -7688,12 +7606,12 @@ S(6) 2.031e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.78 -3.10 H2 + H2(g) -35.67 -38.77 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -117.00 -124.94 -7.94 H2S + H2S(g) -116.99 -124.93 -7.94 H2S Mirabilite -1.79 -3.03 -1.24 Na2SO4:10H2O - O2(g) -11.94 -14.84 -2.89 O2 - Sulfur -87.25 -82.37 4.88 S + O2(g) -11.95 -14.84 -2.89 O2 + Sulfur -87.25 -82.36 4.88 S Thenardite -2.70 -3.00 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7731,7 +7649,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.221 Charge balance - pe = -1.257 Adjusted to redox equilibrium + pe = -1.284 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 32894 Density (g/cm³) = 1.02628 Volume (L) = 1.00700 @@ -7739,11 +7657,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.474e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.262e-17 + Total alkalinity (eq/kg) = 1.912e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.724e-10 + Electrical balance (eq) = -4.243e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.644862e+01 @@ -7755,19 +7673,18 @@ Reaction 1. OH- 2.600e-07 1.667e-07 -6.585 -6.778 -0.193 -3.02 H+ 7.825e-08 6.010e-08 -7.107 -7.221 -0.115 0.00 H2O 5.551e+01 9.902e-01 1.744 -0.004 0.000 18.07 -H(0) 1.505e-15 - H2 7.524e-16 8.341e-16 -15.124 -15.079 0.045 28.61 +H(0) 1.708e-15 + H2 8.538e-16 9.465e-16 -15.069 -15.024 0.045 28.61 Na 4.712e-01 Na+ 3.415e-01 2.456e-01 -0.467 -0.610 -0.143 -0.67 NaSO4- 1.297e-01 9.089e-02 -0.887 -1.041 -0.154 4.87 - NaOH 3.694e-18 4.095e-18 -17.433 -17.388 0.045 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.276 -62.231 0.045 30.40 -S(-2) 2.487e-23 - HS- 1.907e-23 1.224e-23 -22.720 -22.912 -0.193 21.20 - H2S 5.800e-24 6.430e-24 -23.237 -23.192 0.045 36.27 - S-2 1.099e-28 2.459e-29 -27.959 -28.609 -0.650 (0) - (H2S)2 0.000e+00 0.000e+00 -47.707 -47.662 0.045 30.09 + O2 0.000e+00 0.000e+00 -62.386 -62.341 0.045 30.40 +S(-2) 4.125e-23 + HS- 3.163e-23 2.029e-23 -22.500 -22.693 -0.193 21.20 + H2S 9.618e-24 1.066e-23 -23.017 -22.972 0.045 36.27 + S-2 1.822e-28 4.077e-29 -27.739 -28.390 -0.650 (0) + (H2S)2 0.000e+00 0.000e+00 -47.267 -47.223 0.045 30.09 S(6) 2.356e-01 NaSO4- 1.297e-01 9.089e-02 -0.887 -1.041 -0.154 4.87 SO4-2 1.059e-01 2.274e-02 -0.975 -1.643 -0.668 34.36 @@ -7777,12 +7694,12 @@ S(6) 2.356e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.98 -15.08 -3.10 H2 + H2(g) -11.92 -15.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -22.20 -30.13 -7.94 H2S + H2S(g) -21.98 -29.91 -7.94 H2S Mirabilite -1.67 -2.91 -1.24 Na2SO4:10H2O - O2(g) -59.34 -62.23 -2.89 O2 - Sulfur -16.15 -11.26 4.88 S + O2(g) -59.45 -62.34 -2.89 O2 + Sulfur -15.98 -11.10 4.88 S Thenardite -2.56 -2.86 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7820,7 +7737,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.222 Charge balance - pe = -1.418 Adjusted to redox equilibrium + pe = -1.419 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33459 Density (g/cm³) = 1.02689 Volume (L) = 1.00711 @@ -7828,9 +7745,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.555e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.410e-17 + Total alkalinity (eq/kg) = 3.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.979e-12 + Electrical balance (eq) = -3.529e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7844,19 +7761,18 @@ Reaction 1. OH- 2.609e-07 1.670e-07 -6.584 -6.777 -0.194 -3.00 H+ 7.820e-08 6.002e-08 -7.107 -7.222 -0.115 0.00 H2O 5.551e+01 9.900e-01 1.744 -0.004 0.000 18.07 -H(0) 3.152e-15 - H2 1.576e-15 1.750e-15 -14.802 -14.757 0.046 28.61 +H(0) 3.162e-15 + H2 1.581e-15 1.756e-15 -14.801 -14.755 0.046 28.61 Na 4.814e-01 Na+ 3.481e-01 2.502e-01 -0.458 -0.602 -0.143 -0.67 NaSO4- 1.333e-01 9.327e-02 -0.875 -1.030 -0.155 5.01 - NaOH 3.762e-18 4.178e-18 -17.425 -17.379 0.046 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.921 -62.875 0.046 30.40 -S(-2) 4.861e-22 - HS- 3.732e-22 2.388e-22 -21.428 -21.622 -0.194 21.21 - H2S 1.129e-22 1.253e-22 -21.947 -21.902 0.046 36.27 - S-2 2.162e-27 4.807e-28 -26.665 -27.318 -0.653 (0) - (H2S)2 0.000e+00 0.000e+00 -45.128 -45.082 0.046 30.09 + O2 0.000e+00 0.000e+00 -62.923 -62.878 0.046 30.40 +S(-2) 4.924e-22 + HS- 3.781e-22 2.420e-22 -21.422 -21.616 -0.194 21.21 + H2S 1.143e-22 1.270e-22 -21.942 -21.896 0.046 36.27 + S-2 2.190e-27 4.869e-28 -26.660 -27.313 -0.653 (0) + (H2S)2 0.000e+00 0.000e+00 -45.116 -45.071 0.046 30.09 S(6) 2.407e-01 NaSO4- 1.333e-01 9.327e-02 -0.875 -1.030 -0.155 5.01 SO4-2 1.074e-01 2.290e-02 -0.969 -1.640 -0.671 34.53 @@ -7866,12 +7782,12 @@ S(6) 2.407e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.66 -14.76 -3.10 H2 + H2(g) -11.65 -14.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -20.91 -28.84 -7.94 H2S + H2S(g) -20.90 -28.84 -7.94 H2S Mirabilite -1.65 -2.89 -1.24 Na2SO4:10H2O - O2(g) -59.98 -62.88 -2.89 O2 - Sulfur -15.18 -10.30 4.88 S + O2(g) -59.99 -62.88 -2.89 O2 + Sulfur -15.17 -10.29 4.88 S Thenardite -2.54 -2.84 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7909,7 +7825,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.224 Charge balance - pe = -1.292 Adjusted to redox equilibrium + pe = -1.340 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 35804 Density (g/cm³) = 1.02948 Volume (L) = 1.00756 @@ -7917,11 +7833,11 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 4.896e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.724e-17 + Total alkalinity (eq/kg) = 3.148e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.811e-10 + Electrical balance (eq) = -5.910e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.655542e+01 @@ -7933,19 +7849,18 @@ Reaction 1. OH- 2.645e-07 1.677e-07 -6.578 -6.775 -0.198 -2.94 H+ 7.802e-08 5.969e-08 -7.108 -7.224 -0.116 0.00 H2O 5.551e+01 9.891e-01 1.744 -0.005 0.000 18.07 -H(0) 1.730e-15 - H2 8.649e-16 9.681e-16 -15.063 -15.014 0.049 28.61 +H(0) 2.161e-15 + H2 1.081e-15 1.209e-15 -14.966 -14.917 0.049 28.61 Na 5.246e-01 Na+ 3.760e-01 2.698e-01 -0.425 -0.569 -0.144 -0.64 NaSO4- 1.486e-01 1.034e-01 -0.828 -0.985 -0.158 5.59 - NaOH 4.043e-18 4.526e-18 -17.393 -17.344 0.049 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.410 -62.361 0.049 30.40 -S(-2) 4.684e-23 - HS- 3.615e-23 2.293e-23 -22.442 -22.640 -0.198 21.23 - H2S 1.069e-23 1.197e-23 -22.971 -22.922 0.049 36.27 - S-2 2.141e-28 4.639e-29 -27.669 -28.334 -0.664 (0) - (H2S)2 0.000e+00 0.000e+00 -47.171 -47.122 0.049 30.09 + O2 0.000e+00 0.000e+00 -62.604 -62.555 0.049 30.40 +S(-2) 1.141e-22 + HS- 8.807e-23 5.585e-23 -22.055 -22.253 -0.198 21.23 + H2S 2.604e-23 2.915e-23 -22.584 -22.535 0.049 36.27 + S-2 5.216e-28 1.130e-28 -27.283 -27.947 -0.664 (0) + (H2S)2 0.000e+00 0.000e+00 -46.398 -46.349 0.049 30.09 S(6) 2.623e-01 NaSO4- 1.486e-01 1.034e-01 -0.828 -0.985 -0.158 5.59 SO4-2 1.137e-01 2.354e-02 -0.944 -1.628 -0.684 35.20 @@ -7955,12 +7870,12 @@ S(6) 2.623e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.91 -15.01 -3.10 H2 + H2(g) -11.82 -14.92 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -21.93 -29.86 -7.94 H2S + H2S(g) -21.54 -29.48 -7.94 H2S Mirabilite -1.57 -2.81 -1.24 Na2SO4:10H2O - O2(g) -59.47 -62.36 -2.89 O2 - Sulfur -15.94 -11.06 4.88 S + O2(g) -59.66 -62.55 -2.89 O2 + Sulfur -15.65 -10.77 4.88 S Thenardite -2.47 -2.77 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -7998,7 +7913,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.227 Charge balance - pe = -1.544 Adjusted to redox equilibrium + pe = -1.530 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39947 Density (g/cm³) = 1.03419 Volume (L) = 1.00840 @@ -8006,9 +7921,9 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 5.507e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.295e-17 + Total alkalinity (eq/kg) = 1.360e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.474e-14 + Electrical balance (eq) = 5.856e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8022,19 +7937,18 @@ Reaction 1. OH- 2.701e-07 1.688e-07 -6.568 -6.773 -0.204 -2.84 H+ 7.782e-08 5.923e-08 -7.109 -7.227 -0.119 0.00 H2O 5.551e+01 9.876e-01 1.744 -0.005 0.000 18.07 -H(0) 5.360e-15 - H2 2.680e-15 3.042e-15 -14.572 -14.517 0.055 28.61 +H(0) 5.021e-15 + H2 2.510e-15 2.850e-15 -14.600 -14.545 0.055 28.61 Na 6.036e-01 Na+ 4.262e-01 3.055e-01 -0.370 -0.515 -0.145 -0.59 NaSO4- 1.774e-01 1.223e-01 -0.751 -0.913 -0.162 6.55 - NaOH 4.542e-18 5.156e-18 -17.343 -17.288 0.055 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.412 -63.357 0.055 30.40 -S(-2) 4.794e-21 - HS- 3.730e-21 2.331e-21 -20.428 -20.632 -0.204 21.27 - H2S 1.063e-21 1.207e-21 -20.973 -20.918 0.055 36.27 - S-2 2.287e-26 4.753e-27 -25.641 -26.323 -0.682 (0) - (H2S)2 0.000e+00 0.000e+00 -43.170 -43.115 0.055 30.09 + O2 0.000e+00 0.000e+00 -63.355 -63.300 0.055 30.40 +S(-2) 3.691e-21 + HS- 2.872e-21 1.795e-21 -20.542 -20.746 -0.204 21.27 + H2S 8.188e-22 9.295e-22 -21.087 -21.032 0.055 36.27 + S-2 1.761e-26 3.660e-27 -25.754 -26.437 -0.682 (0) + (H2S)2 0.000e+00 0.000e+00 -43.397 -43.342 0.055 30.09 S(6) 3.018e-01 NaSO4- 1.774e-01 1.223e-01 -0.751 -0.913 -0.162 6.55 SO4-2 1.244e-01 2.458e-02 -0.905 -1.609 -0.704 36.35 @@ -8044,12 +7958,12 @@ S(6) 3.018e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.42 -14.52 -3.10 H2 + H2(g) -11.44 -14.55 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.92 -27.86 -7.94 H2S + H2S(g) -20.04 -27.97 -7.94 H2S Mirabilite -1.45 -2.69 -1.24 Na2SO4:10H2O - O2(g) -60.46 -63.36 -2.89 O2 - Sulfur -14.43 -9.55 4.88 S + O2(g) -60.41 -63.30 -2.89 O2 + Sulfur -14.52 -9.64 4.88 S Thenardite -2.34 -2.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8087,7 +8001,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.357 Adjusted to redox equilibrium + pe = -1.362 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 42576 Density (g/cm³) = 1.03727 Volume (L) = 1.00897 @@ -8095,11 +8009,11 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.901e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.092e-17 + Total alkalinity (eq/kg) = 1.289e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.782e-11 + Electrical balance (eq) = -7.242e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.681762e+01 @@ -8111,19 +8025,18 @@ Reaction 1. OH- 2.732e-07 1.692e-07 -6.563 -6.772 -0.208 -2.77 H+ 7.775e-08 5.901e-08 -7.109 -7.229 -0.120 0.00 H2O 5.551e+01 9.866e-01 1.744 -0.006 0.000 18.07 -H(0) 2.231e-15 - H2 1.115e-15 1.278e-15 -14.953 -14.894 0.059 28.61 +H(0) 2.277e-15 + H2 1.139e-15 1.304e-15 -14.944 -14.885 0.059 28.61 Na 6.557e-01 Na+ 4.590e-01 3.289e-01 -0.338 -0.483 -0.145 -0.56 NaSO4- 1.967e-01 1.348e-01 -0.706 -0.870 -0.164 7.12 - NaOH 4.859e-18 5.567e-18 -17.313 -17.254 0.059 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.663 -62.604 0.059 30.40 -S(-2) 1.534e-22 - HS- 1.199e-22 7.429e-23 -21.921 -22.129 -0.208 21.30 - H2S 3.346e-23 3.833e-23 -22.475 -22.416 0.059 36.27 - S-2 7.498e-28 1.521e-28 -27.125 -27.818 -0.693 (0) - (H2S)2 0.000e+00 0.000e+00 -46.170 -46.111 0.059 30.09 + O2 0.000e+00 0.000e+00 -62.682 -62.623 0.059 30.40 +S(-2) 1.667e-22 + HS- 1.303e-22 8.073e-23 -21.885 -22.093 -0.208 21.30 + H2S 3.636e-23 4.165e-23 -22.439 -22.380 0.059 36.27 + S-2 8.147e-28 1.652e-28 -27.089 -27.782 -0.693 (0) + (H2S)2 0.000e+00 0.000e+00 -46.098 -46.039 0.059 30.09 S(6) 3.279e-01 NaSO4- 1.967e-01 1.348e-01 -0.706 -0.870 -0.164 7.12 SO4-2 1.311e-01 2.518e-02 -0.882 -1.599 -0.717 37.05 @@ -8133,12 +8046,12 @@ S(6) 3.279e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.79 -14.89 -3.10 H2 + H2(g) -11.78 -14.88 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -21.42 -29.36 -7.94 H2S + H2S(g) -21.39 -29.32 -7.94 H2S Mirabilite -1.38 -2.62 -1.24 Na2SO4:10H2O - O2(g) -59.71 -62.60 -2.89 O2 - Sulfur -15.55 -10.67 4.88 S + O2(g) -59.73 -62.62 -2.89 O2 + Sulfur -15.53 -10.65 4.88 S Thenardite -2.26 -2.56 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8176,7 +8089,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.545 Adjusted to redox equilibrium + pe = -1.561 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 43095 Density (g/cm³) = 1.03788 Volume (L) = 1.00908 @@ -8184,9 +8097,9 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 5.979e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.885e-17 + Total alkalinity (eq/kg) = -1.467e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.274e-14 + Electrical balance (eq) = -4.735e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8200,19 +8113,18 @@ Reaction 1. OH- 2.738e-07 1.693e-07 -6.563 -6.771 -0.209 -2.76 H+ 7.774e-08 5.897e-08 -7.109 -7.229 -0.120 0.00 H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.07 -H(0) 5.278e-15 - H2 2.639e-15 3.029e-15 -14.579 -14.519 0.060 28.61 +H(0) 5.687e-15 + H2 2.843e-15 3.263e-15 -14.546 -14.486 0.060 28.61 Na 6.661e-01 Na+ 4.655e-01 3.336e-01 -0.332 -0.477 -0.145 -0.56 NaSO4- 2.007e-01 1.374e-01 -0.698 -0.862 -0.165 7.24 - NaOH 4.922e-18 5.648e-18 -17.308 -17.248 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.414 -63.354 0.060 30.40 -S(-2) 4.872e-21 - HS- 3.813e-21 2.358e-21 -20.419 -20.627 -0.209 21.30 - H2S 1.059e-21 1.216e-21 -20.975 -20.915 0.060 36.27 - S-2 2.392e-26 4.829e-27 -25.621 -26.316 -0.695 (0) - (H2S)2 0.000e+00 0.000e+00 -43.168 -43.109 0.060 30.09 + O2 0.000e+00 0.000e+00 -63.479 -63.419 0.060 30.40 +S(-2) 6.565e-21 + HS- 5.138e-21 3.177e-21 -20.289 -20.498 -0.209 21.30 + H2S 1.427e-21 1.638e-21 -20.845 -20.786 0.060 36.27 + S-2 3.223e-26 6.507e-27 -25.492 -26.187 -0.695 (0) + (H2S)2 0.000e+00 0.000e+00 -42.909 -42.850 0.060 30.09 S(6) 3.331e-01 NaSO4- 2.007e-01 1.374e-01 -0.698 -0.862 -0.165 7.24 SO4-2 1.324e-01 2.530e-02 -0.878 -1.597 -0.719 37.19 @@ -8222,12 +8134,12 @@ S(6) 3.331e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.42 -14.52 -3.10 H2 + H2(g) -11.39 -14.49 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.92 -27.86 -7.94 H2S + H2S(g) -19.79 -27.73 -7.94 H2S Mirabilite -1.37 -2.61 -1.24 Na2SO4:10H2O - O2(g) -60.46 -63.35 -2.89 O2 - Sulfur -14.43 -9.55 4.88 S + O2(g) -60.53 -63.42 -2.89 O2 + Sulfur -14.33 -9.45 4.88 S Thenardite -2.25 -2.55 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8265,7 +8177,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.231 Charge balance - pe = 10.571 Adjusted to redox equilibrium + pe = 10.555 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 45621 Density (g/cm³) = 1.04093 Volume (L) = 1.00966 @@ -8273,9 +8185,9 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 6.363e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.977e-17 + Total alkalinity (eq/kg) = -2.798e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.106e-15 + Electrical balance (eq) = 6.217e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8289,19 +8201,18 @@ Reaction 1. OH- 2.765e-07 1.696e-07 -6.558 -6.771 -0.212 -2.69 H+ 7.773e-08 5.881e-08 -7.109 -7.231 -0.121 0.00 H2O 5.551e+01 9.854e-01 1.744 -0.006 0.000 18.07 -H(0) 3.047e-39 - H2 1.523e-39 1.764e-39 -38.817 -38.754 0.064 28.61 +H(0) 3.290e-39 + H2 1.645e-39 1.905e-39 -38.784 -38.720 0.064 28.61 Na 7.179e-01 Na+ 4.976e-01 3.568e-01 -0.303 -0.448 -0.144 -0.53 NaSO4- 2.202e-01 1.501e-01 -0.657 -0.824 -0.167 7.77 - NaOH 5.227e-18 6.052e-18 -17.282 -17.218 0.064 (0) -O(0) 2.248e-15 - O2 1.124e-15 1.301e-15 -14.949 -14.886 0.064 30.40 +O(0) 1.928e-15 + O2 9.639e-16 1.116e-15 -15.016 -14.952 0.064 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.345 -117.557 -0.212 21.33 - H2S 0.000e+00 0.000e+00 -117.910 -117.846 0.064 36.27 - S-2 0.000e+00 0.000e+00 -122.540 -123.245 -0.704 (0) - (H2S)2 0.000e+00 0.000e+00 -237.034 -236.970 0.064 30.09 + HS- 0.000e+00 0.000e+00 -117.212 -117.424 -0.212 21.33 + H2S 0.000e+00 0.000e+00 -117.776 -117.713 0.064 36.27 + S-2 0.000e+00 0.000e+00 -122.407 -123.111 -0.704 (0) + (H2S)2 0.000e+00 0.000e+00 -236.767 -236.704 0.064 30.09 S(6) 3.589e-01 NaSO4- 2.202e-01 1.501e-01 -0.657 -0.824 -0.167 7.77 SO4-2 1.387e-01 2.583e-02 -0.858 -1.588 -0.730 37.85 @@ -8311,12 +8222,12 @@ S(6) 3.589e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.65 -38.75 -3.10 H2 + H2(g) -35.62 -38.72 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.85 -124.79 -7.94 H2S + H2S(g) -116.72 -124.65 -7.94 H2S Mirabilite -1.31 -2.55 -1.24 Na2SO4:10H2O - O2(g) -11.99 -14.89 -2.89 O2 - Sulfur -87.12 -82.24 4.88 S + O2(g) -12.06 -14.95 -2.89 O2 + Sulfur -87.02 -82.14 4.88 S Thenardite -2.18 -2.48 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8354,7 +8265,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.232 Charge balance - pe = 10.581 Adjusted to redox equilibrium + pe = 10.578 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 49821 Density (g/cm³) = 1.04614 Volume (L) = 1.01069 @@ -8362,9 +8273,9 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 7.014e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.823e-16 + Total alkalinity (eq/kg) = 6.713e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.381e-14 + Electrical balance (eq) = 9.376e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8378,19 +8289,18 @@ Reaction 1. OH- 2.804e-07 1.699e-07 -6.552 -6.770 -0.218 -2.58 H+ 7.778e-08 5.861e-08 -7.109 -7.232 -0.123 0.00 H2O 5.551e+01 9.837e-01 1.744 -0.007 0.000 18.07 -H(0) 2.853e-39 - H2 1.426e-39 1.676e-39 -38.846 -38.776 0.070 28.61 +H(0) 2.894e-39 + H2 1.447e-39 1.701e-39 -38.840 -38.769 0.070 28.61 Na 8.071e-01 Na+ 5.525e-01 3.968e-01 -0.258 -0.401 -0.144 -0.49 NaSO4- 2.546e-01 1.722e-01 -0.594 -0.764 -0.170 8.61 - NaOH 5.736e-18 6.741e-18 -17.241 -17.171 0.070 (0) -O(0) 2.443e-15 - O2 1.222e-15 1.436e-15 -14.913 -14.843 0.070 30.40 +O(0) 2.374e-15 + O2 1.187e-15 1.395e-15 -14.926 -14.855 0.070 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.413 -117.630 -0.218 21.36 - H2S 0.000e+00 0.000e+00 -117.991 -117.921 0.070 36.27 - S-2 0.000e+00 0.000e+00 -122.597 -123.316 -0.719 (0) - (H2S)2 0.000e+00 0.000e+00 -237.190 -237.120 0.070 30.09 + HS- 0.000e+00 0.000e+00 -117.388 -117.605 -0.218 21.36 + H2S 0.000e+00 0.000e+00 -117.966 -117.896 0.070 36.27 + S-2 0.000e+00 0.000e+00 -122.572 -123.291 -0.719 (0) + (H2S)2 0.000e+00 0.000e+00 -237.140 -237.070 0.070 30.09 S(6) 4.036e-01 NaSO4- 2.546e-01 1.722e-01 -0.594 -0.764 -0.170 8.61 SO4-2 1.489e-01 2.665e-02 -0.827 -1.574 -0.747 38.92 @@ -8400,12 +8310,12 @@ S(6) 4.036e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.78 -3.10 H2 + H2(g) -35.67 -38.77 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.93 -124.86 -7.94 H2S + H2S(g) -116.90 -124.84 -7.94 H2S Mirabilite -1.21 -2.45 -1.24 Na2SO4:10H2O - O2(g) -11.95 -14.84 -2.89 O2 - Sulfur -87.18 -82.30 4.88 S + O2(g) -11.96 -14.86 -2.89 O2 + Sulfur -87.16 -82.28 4.88 S Thenardite -2.08 -2.38 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8443,7 +8353,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = -1.449 Adjusted to redox equilibrium + pe = -1.429 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 55838 Density (g/cm³) = 1.05397 Volume (L) = 1.01229 @@ -8451,9 +8361,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 7.976e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.801e-17 + Total alkalinity (eq/kg) = 1.248e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.146e-12 + Electrical balance (eq) = 1.135e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8467,19 +8377,18 @@ Reaction 1. OH- 2.849e-07 1.698e-07 -6.545 -6.770 -0.225 -2.43 H+ 7.802e-08 5.849e-08 -7.108 -7.233 -0.125 0.00 H2O 5.551e+01 9.812e-01 1.744 -0.008 0.000 18.07 -H(0) 3.183e-15 - H2 1.592e-15 1.913e-15 -14.798 -14.718 0.080 28.61 +H(0) 2.912e-15 + H2 1.456e-15 1.749e-15 -14.837 -14.757 0.080 28.61 Na 9.424e-01 Na+ 6.344e-01 4.575e-01 -0.198 -0.340 -0.142 -0.42 NaSO4- 3.080e-01 2.062e-01 -0.511 -0.686 -0.174 9.75 - NaOH 6.465e-18 7.769e-18 -17.189 -17.110 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.039 -62.960 0.080 30.40 -S(-2) 8.743e-22 - HS- 6.974e-22 4.157e-22 -21.157 -21.381 -0.225 21.42 - H2S 1.769e-22 2.126e-22 -21.752 -21.672 0.080 36.27 - S-2 4.702e-27 8.584e-28 -26.328 -27.066 -0.739 (0) - (H2S)2 0.000e+00 0.000e+00 -44.703 -44.623 0.080 30.09 + O2 0.000e+00 0.000e+00 -62.962 -62.882 0.080 30.40 +S(-2) 6.121e-22 + HS- 4.883e-22 2.910e-22 -21.311 -21.536 -0.225 21.42 + H2S 1.239e-22 1.488e-22 -21.907 -21.827 0.080 36.27 + S-2 3.292e-27 6.009e-28 -26.483 -27.221 -0.739 (0) + (H2S)2 0.000e+00 0.000e+00 -45.013 -44.933 0.080 30.09 S(6) 4.712e-01 NaSO4- 3.080e-01 2.062e-01 -0.511 -0.686 -0.174 9.75 SO4-2 1.632e-01 2.768e-02 -0.787 -1.558 -0.770 40.40 @@ -8489,12 +8398,12 @@ S(6) 4.712e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.62 -14.72 -3.10 H2 + H2(g) -11.66 -14.76 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -20.68 -28.61 -7.94 H2S + H2S(g) -20.83 -28.77 -7.94 H2S Mirabilite -1.08 -2.32 -1.24 Na2SO4:10H2O - O2(g) -60.07 -62.96 -2.89 O2 - Sulfur -14.99 -10.10 4.88 S + O2(g) -59.99 -62.88 -2.89 O2 + Sulfur -15.10 -10.22 4.88 S Thenardite -1.94 -2.24 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8502,12 +8411,6 @@ S(6) 4.712e-01 Reaction step 51. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using temperature 1. Using pressure 1. @@ -8538,7 +8441,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = 10.577 Adjusted to redox equilibrium + pe = 10.711 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58282 Density (g/cm³) = 1.05728 Volume (L) = 1.01300 @@ -8546,11 +8449,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.377e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.224e-16 + Total alkalinity (eq/kg) = 5.434e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.865e-14 + Electrical balance (eq) = 2.474e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 66 (167 overall) + Iterations = 70 Total H = 1.110124e+02 Total O = 5.750622e+01 @@ -8562,19 +8465,18 @@ Reaction 1. OH- 2.864e-07 1.696e-07 -6.543 -6.771 -0.227 -2.36 H+ 7.817e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.801e-01 1.744 -0.009 0.000 18.07 -H(0) 2.799e-39 - H2 1.399e-39 1.697e-39 -38.854 -38.770 0.084 28.61 +H(0) 1.512e-39 + H2 7.559e-40 9.167e-40 -39.122 -39.038 0.084 28.61 Na 1.000e+00 Na+ 6.689e-01 4.835e-01 -0.175 -0.316 -0.141 -0.40 NaSO4- 3.311e-01 2.209e-01 -0.480 -0.656 -0.176 10.20 - NaOH 6.762e-18 8.201e-18 -17.170 -17.086 0.084 (0) -O(0) 2.293e-15 - O2 1.147e-15 1.391e-15 -14.941 -14.857 0.084 30.40 +O(0) 7.859e-15 + O2 3.930e-15 4.766e-15 -14.406 -14.322 0.084 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.354 -117.581 -0.227 21.44 - H2S 0.000e+00 0.000e+00 -117.956 -117.873 0.084 36.27 - S-2 0.000e+00 0.000e+00 -122.520 -123.266 -0.746 (0) - (H2S)2 0.000e+00 0.000e+00 -237.107 -237.023 0.084 30.09 + HS- 0.000e+00 0.000e+00 -118.424 -118.651 -0.227 21.44 + H2S 0.000e+00 0.000e+00 -119.026 -118.942 0.084 36.27 + S-2 0.000e+00 0.000e+00 -123.590 -124.336 -0.746 (0) + (H2S)2 0.000e+00 0.000e+00 -239.247 -239.163 0.084 30.09 S(6) 5.000e-01 NaSO4- 3.311e-01 2.209e-01 -0.480 -0.656 -0.176 10.20 SO4-2 1.689e-01 2.806e-02 -0.772 -1.552 -0.779 40.99 @@ -8584,12 +8486,12 @@ S(6) 5.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.77 -3.10 H2 + H2(g) -35.94 -39.04 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.88 -124.81 -7.94 H2S + H2S(g) -117.95 -125.88 -7.94 H2S Mirabilite -1.03 -2.27 -1.24 Na2SO4:10H2O - O2(g) -11.96 -14.86 -2.89 O2 - Sulfur -87.13 -82.25 4.88 S + O2(g) -11.43 -14.32 -2.89 O2 + Sulfur -87.94 -83.05 4.88 S Thenardite -1.88 -2.18 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8627,7 +8529,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = -0.727 Adjusted to redox equilibrium + pe = 10.394 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58333 Density (g/cm³) = 1.05735 Volume (L) = 1.01301 @@ -8635,10 +8537,10 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.386e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.841e-16 + Total alkalinity (eq/kg) = 5.870e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.437e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 8.364e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 18 Total H = 1.110124e+02 Total O = 5.750866e+01 @@ -8651,19 +8553,18 @@ Reaction 1. OH- 2.864e-07 1.696e-07 -6.543 -6.771 -0.228 -2.36 H+ 7.817e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.801e-01 1.744 -0.009 0.000 18.07 -H(0) 1.134e-16 - H2 5.670e-17 6.878e-17 -16.246 -16.163 0.084 28.61 +H(0) 6.500e-39 + H2 3.250e-39 3.942e-39 -38.488 -38.404 0.084 28.61 Na 1.001e+00 Na+ 6.696e-01 4.840e-01 -0.174 -0.315 -0.141 -0.40 NaSO4- 3.316e-01 2.212e-01 -0.479 -0.655 -0.176 10.21 - NaOH 6.768e-18 8.210e-18 -17.170 -17.086 0.084 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.156 -60.072 0.084 30.40 -S(-2) 1.494e-27 - HS- 1.195e-27 7.080e-28 -26.922 -27.150 -0.228 21.44 - H2S 2.985e-28 3.620e-28 -27.525 -27.441 0.084 36.27 - S-2 8.148e-33 1.462e-33 -32.089 -32.835 -0.746 (0) - (H2S)2 0.000e+00 0.000e+00 -56.245 -56.161 0.084 30.09 +O(0) 4.249e-16 + O2 2.124e-16 2.577e-16 -15.673 -15.589 0.084 30.40 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -115.889 -116.117 -0.228 21.44 + H2S 0.000e+00 0.000e+00 -116.492 -116.408 0.084 36.27 + S-2 0.000e+00 0.000e+00 -121.056 -121.802 -0.746 (0) + (H2S)2 0.000e+00 0.000e+00 -234.178 -234.095 0.084 30.09 S(6) 5.006e-01 NaSO4- 3.316e-01 2.212e-01 -0.479 -0.655 -0.176 10.21 SO4-2 1.690e-01 2.807e-02 -0.772 -1.552 -0.780 41.00 @@ -8673,12 +8574,12 @@ S(6) 5.006e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.06 -16.16 -3.10 H2 + H2(g) -35.30 -38.40 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -26.45 -34.38 -7.94 H2S + H2S(g) -115.41 -123.35 -7.94 H2S Mirabilite -1.03 -2.27 -1.24 Na2SO4:10H2O - O2(g) -57.18 -60.07 -2.89 O2 - Sulfur -19.31 -14.43 4.88 S + O2(g) -12.70 -15.59 -2.89 O2 + Sulfur -86.04 -81.15 4.88 S Thenardite -1.88 -2.18 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8716,7 +8617,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = -1.563 Adjusted to redox equilibrium + pe = -1.537 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58456 Density (g/cm³) = 1.05752 Volume (L) = 1.01305 @@ -8724,9 +8625,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.406e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.423e-16 + Total alkalinity (eq/kg) = -1.929e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.989e-12 + Electrical balance (eq) = 2.046e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8740,19 +8641,18 @@ Reaction 1. OH- 2.865e-07 1.696e-07 -6.543 -6.771 -0.228 -2.36 H+ 7.818e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.801e-01 1.744 -0.009 0.000 18.07 -H(0) 5.324e-15 - H2 2.662e-15 3.230e-15 -14.575 -14.491 0.084 28.61 +H(0) 4.722e-15 + H2 2.361e-15 2.866e-15 -14.627 -14.543 0.084 28.61 Na 1.004e+00 Na+ 6.713e-01 4.854e-01 -0.173 -0.314 -0.141 -0.40 NaSO4- 3.328e-01 2.219e-01 -0.478 -0.654 -0.176 10.23 - NaOH 6.783e-18 8.232e-18 -17.169 -17.085 0.084 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.416 0.084 30.40 -S(-2) 7.277e-21 - HS- 5.824e-21 3.448e-21 -20.235 -20.462 -0.228 21.44 - H2S 1.453e-21 1.763e-21 -20.838 -20.754 0.084 36.27 - S-2 3.972e-26 7.121e-27 -25.401 -26.147 -0.746 (0) - (H2S)2 0.000e+00 0.000e+00 -42.870 -42.786 0.084 30.09 + O2 0.000e+00 0.000e+00 -63.396 -63.312 0.084 30.40 +S(-2) 4.506e-21 + HS- 3.606e-21 2.135e-21 -20.443 -20.671 -0.228 21.44 + H2S 8.996e-22 1.092e-21 -21.046 -20.962 0.084 36.27 + S-2 2.459e-26 4.409e-27 -25.609 -26.356 -0.746 (0) + (H2S)2 0.000e+00 0.000e+00 -43.286 -43.202 0.084 30.09 S(6) 5.021e-01 NaSO4- 3.328e-01 2.219e-01 -0.478 -0.654 -0.176 10.23 SO4-2 1.693e-01 2.809e-02 -0.771 -1.551 -0.780 41.03 @@ -8762,12 +8662,12 @@ S(6) 5.021e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.39 -14.49 -3.10 H2 + H2(g) -11.44 -14.54 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.76 -27.70 -7.94 H2S + H2S(g) -19.97 -27.90 -7.94 H2S Mirabilite -1.03 -2.27 -1.24 Na2SO4:10H2O - O2(g) -60.52 -63.42 -2.89 O2 - Sulfur -14.29 -9.41 4.88 S + O2(g) -60.42 -63.31 -2.89 O2 + Sulfur -14.45 -9.57 4.88 S Thenardite -1.88 -2.18 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8805,7 +8705,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = 10.577 Adjusted to redox equilibrium + pe = 10.559 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58708 Density (g/cm³) = 1.05786 Volume (L) = 1.01312 @@ -8813,9 +8713,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.448e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.799e-16 + Total alkalinity (eq/kg) = 6.818e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.624e-13 + Electrical balance (eq) = 8.623e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8829,19 +8729,18 @@ Reaction 1. OH- 2.866e-07 1.696e-07 -6.543 -6.771 -0.228 -2.35 H+ 7.820e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.799e-01 1.744 -0.009 0.000 18.07 -H(0) 2.795e-39 - H2 1.398e-39 1.698e-39 -38.855 -38.770 0.084 28.61 +H(0) 3.036e-39 + H2 1.518e-39 1.844e-39 -38.819 -38.734 0.084 28.61 Na 1.010e+00 Na+ 6.749e-01 4.881e-01 -0.171 -0.312 -0.141 -0.40 NaSO4- 3.353e-01 2.235e-01 -0.475 -0.651 -0.176 10.28 - NaOH 6.814e-18 8.277e-18 -17.167 -17.082 0.084 (0) -O(0) 2.286e-15 - O2 1.143e-15 1.389e-15 -14.942 -14.857 0.084 30.40 +O(0) 1.938e-15 + O2 9.691e-16 1.177e-15 -15.014 -14.929 0.084 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.351 -117.579 -0.228 21.44 - H2S 0.000e+00 0.000e+00 -117.955 -117.870 0.084 36.27 - S-2 0.000e+00 0.000e+00 -122.517 -123.264 -0.747 (0) - (H2S)2 0.000e+00 0.000e+00 -237.103 -237.019 0.084 30.09 + HS- 0.000e+00 0.000e+00 -117.208 -117.436 -0.228 21.44 + H2S 0.000e+00 0.000e+00 -117.811 -117.727 0.084 36.27 + S-2 0.000e+00 0.000e+00 -122.373 -123.121 -0.747 (0) + (H2S)2 0.000e+00 0.000e+00 -236.816 -236.732 0.084 30.09 S(6) 5.051e-01 NaSO4- 3.353e-01 2.235e-01 -0.475 -0.651 -0.176 10.28 SO4-2 1.698e-01 2.812e-02 -0.770 -1.551 -0.781 41.09 @@ -8851,12 +8750,12 @@ S(6) 5.051e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.77 -3.10 H2 + H2(g) -35.63 -38.73 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.88 -124.81 -7.94 H2S + H2S(g) -116.73 -124.67 -7.94 H2S Mirabilite -1.02 -2.26 -1.24 Na2SO4:10H2O - O2(g) -11.97 -14.86 -2.89 O2 - Sulfur -87.13 -82.25 4.88 S + O2(g) -12.04 -14.93 -2.89 O2 + Sulfur -87.02 -82.14 4.88 S Thenardite -1.87 -2.17 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8894,7 +8793,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.232 Charge balance - pe = 10.574 Adjusted to redox equilibrium + pe = 10.570 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 63762 Density (g/cm³) = 1.06498 Volume (L) = 1.01469 @@ -8902,7 +8801,7 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 9.302e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.528e-16 + Total alkalinity (eq/kg) = -1.101e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 2.092e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -8918,19 +8817,18 @@ Reaction 1. OH- 2.891e-07 1.690e-07 -6.539 -6.772 -0.233 -2.21 H+ 7.859e-08 5.856e-08 -7.105 -7.232 -0.128 0.00 H2O 5.551e+01 9.776e-01 1.744 -0.010 0.000 18.07 -H(0) 2.784e-39 - H2 1.392e-39 1.725e-39 -38.856 -38.763 0.093 28.61 +H(0) 2.844e-39 + H2 1.422e-39 1.762e-39 -38.847 -38.754 0.093 28.61 Na 1.135e+00 Na+ 7.489e-01 5.447e-01 -0.126 -0.264 -0.138 -0.35 NaSO4- 3.863e-01 2.556e-01 -0.413 -0.592 -0.179 11.17 - NaOH 7.429e-18 9.203e-18 -17.129 -17.036 0.093 (0) -O(0) 2.162e-15 - O2 1.081e-15 1.339e-15 -14.966 -14.873 0.093 30.40 +O(0) 2.072e-15 + O2 1.036e-15 1.284e-15 -14.985 -14.892 0.093 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.303 -117.536 -0.233 21.48 - H2S 0.000e+00 0.000e+00 -117.920 -117.827 0.093 36.27 - S-2 0.000e+00 0.000e+00 -122.461 -123.222 -0.761 (0) - (H2S)2 0.000e+00 0.000e+00 -237.025 -236.932 0.093 30.09 + HS- 0.000e+00 0.000e+00 -117.266 -117.499 -0.233 21.48 + H2S 0.000e+00 0.000e+00 -117.883 -117.790 0.093 36.27 + S-2 0.000e+00 0.000e+00 -122.424 -123.185 -0.761 (0) + (H2S)2 0.000e+00 0.000e+00 -236.952 -236.859 0.093 30.09 S(6) 5.676e-01 NaSO4- 3.863e-01 2.556e-01 -0.413 -0.592 -0.179 11.17 SO4-2 1.813e-01 2.883e-02 -0.742 -1.540 -0.799 42.30 @@ -8940,12 +8838,12 @@ S(6) 5.676e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.66 -38.76 -3.10 H2 + H2(g) -35.65 -38.75 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.83 -124.77 -7.94 H2S + H2S(g) -116.80 -124.73 -7.94 H2S Mirabilite -0.93 -2.17 -1.24 Na2SO4:10H2O - O2(g) -11.98 -14.87 -2.89 O2 - Sulfur -87.10 -82.21 4.88 S + O2(g) -12.00 -14.89 -2.89 O2 + Sulfur -87.07 -82.19 4.88 S Thenardite -1.77 -2.07 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8983,7 +8881,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.231 Charge balance - pe = 10.533 Adjusted to redox equilibrium + pe = 10.499 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69991 Density (g/cm³) = 1.07426 Volume (L) = 1.01682 @@ -8991,7 +8889,7 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 1.040e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.437e-17 + Total alkalinity (eq/kg) = -5.075e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.468e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -9007,19 +8905,18 @@ Reaction 1. OH- 2.912e-07 1.678e-07 -6.536 -6.775 -0.239 -2.04 H+ 7.922e-08 5.879e-08 -7.101 -7.231 -0.130 0.00 H2O 5.551e+01 9.746e-01 1.744 -0.011 0.000 18.07 -H(0) 3.311e-39 - H2 1.655e-39 2.103e-39 -38.781 -38.677 0.104 28.61 +H(0) 3.869e-39 + H2 1.934e-39 2.458e-39 -38.713 -38.609 0.104 28.61 Na 1.300e+00 Na+ 8.451e-01 6.201e-01 -0.073 -0.208 -0.134 -0.29 NaSO4- 4.549e-01 2.985e-01 -0.342 -0.525 -0.183 12.23 - NaOH 8.188e-18 1.040e-17 -17.087 -16.983 0.104 (0) -O(0) 1.409e-15 - O2 7.044e-16 8.950e-16 -15.152 -15.048 0.104 30.40 +O(0) 1.032e-15 + O2 5.158e-16 6.554e-16 -15.288 -15.183 0.104 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.934 -117.174 -0.239 21.54 - H2S 0.000e+00 0.000e+00 -117.567 -117.463 0.104 36.27 - S-2 0.000e+00 0.000e+00 -122.083 -122.861 -0.778 (0) - (H2S)2 0.000e+00 0.000e+00 -236.307 -236.203 0.104 30.09 + HS- 0.000e+00 0.000e+00 -116.663 -116.903 -0.239 21.54 + H2S 0.000e+00 0.000e+00 -117.296 -117.192 0.104 36.27 + S-2 0.000e+00 0.000e+00 -121.812 -122.590 -0.778 (0) + (H2S)2 0.000e+00 0.000e+00 -235.766 -235.662 0.104 30.09 S(6) 6.500e-01 NaSO4- 4.549e-01 2.985e-01 -0.342 -0.525 -0.183 12.23 SO4-2 1.951e-01 2.957e-02 -0.710 -1.529 -0.819 43.76 @@ -9029,12 +8926,12 @@ S(6) 6.500e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.58 -38.68 -3.10 H2 + H2(g) -35.51 -38.61 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.47 -124.40 -7.94 H2S + H2S(g) -116.20 -124.13 -7.94 H2S Mirabilite -0.82 -2.06 -1.24 Na2SO4:10H2O - O2(g) -12.16 -15.05 -2.89 O2 - Sulfur -86.82 -81.94 4.88 S + O2(g) -12.29 -15.18 -2.89 O2 + Sulfur -86.61 -81.73 4.88 S Thenardite -1.64 -1.94 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9072,7 +8969,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.546 Adjusted to redox equilibrium + pe = -1.595 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 73546 Density (g/cm³) = 1.07983 Volume (L) = 1.01816 @@ -9080,9 +8977,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.106e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.824e-17 + Total alkalinity (eq/kg) = -3.841e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.664e-11 + Electrical balance (eq) = 2.637e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9096,19 +8993,18 @@ Reaction 1. OH- 2.920e-07 1.669e-07 -6.535 -6.777 -0.243 -1.94 H+ 7.966e-08 5.898e-08 -7.099 -7.229 -0.131 0.00 H2O 5.551e+01 9.728e-01 1.744 -0.012 0.000 18.07 -H(0) 4.723e-15 - H2 2.362e-15 3.046e-15 -14.627 -14.516 0.111 28.61 +H(0) 5.910e-15 + H2 2.955e-15 3.811e-15 -14.529 -14.419 0.111 28.61 Na 1.400e+00 Na+ 9.028e-01 6.663e-01 -0.044 -0.176 -0.132 -0.25 NaSO4- 4.972e-01 3.248e-01 -0.303 -0.488 -0.185 12.82 - NaOH 8.623e-18 1.112e-17 -17.064 -16.954 0.111 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.482 -63.372 0.111 30.40 -S(-2) 6.489e-21 - HS- 5.282e-21 3.020e-21 -20.277 -20.520 -0.243 21.57 - H2S 1.207e-21 1.557e-21 -20.918 -20.808 0.111 36.27 - S-2 3.784e-26 6.184e-27 -25.422 -26.209 -0.787 (0) - (H2S)2 0.000e+00 0.000e+00 -43.004 -42.894 0.111 30.09 + O2 0.000e+00 0.000e+00 -63.677 -63.566 0.111 30.40 +S(-2) 1.590e-20 + HS- 1.295e-20 7.402e-21 -19.888 -20.131 -0.243 21.57 + H2S 2.959e-21 3.817e-21 -20.529 -20.418 0.111 36.27 + S-2 9.274e-26 1.516e-26 -25.033 -25.819 -0.787 (0) + (H2S)2 0.000e+00 0.000e+00 -42.225 -42.115 0.111 30.09 S(6) 7.000e-01 NaSO4- 4.972e-01 3.248e-01 -0.303 -0.488 -0.185 12.82 SO4-2 2.028e-01 2.994e-02 -0.693 -1.524 -0.831 44.59 @@ -9118,12 +9014,12 @@ S(6) 7.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.42 -14.52 -3.10 H2 + H2(g) -11.32 -14.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.81 -27.75 -7.94 H2S + H2S(g) -19.42 -27.36 -7.94 H2S Mirabilite -0.76 -2.00 -1.24 Na2SO4:10H2O - O2(g) -60.48 -63.37 -2.89 O2 - Sulfur -14.32 -9.44 4.88 S + O2(g) -60.67 -63.57 -2.89 O2 + Sulfur -14.03 -9.15 4.88 S Thenardite -1.58 -1.88 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9161,7 +9057,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = 10.587 Adjusted to redox equilibrium + pe = 10.609 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 73678 Density (g/cm³) = 1.08004 Volume (L) = 1.01821 @@ -9169,9 +9065,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.108e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.125e-16 + Total alkalinity (eq/kg) = 2.783e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.277e-12 + Electrical balance (eq) = 9.278e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9185,19 +9081,18 @@ Reaction 1. OH- 2.920e-07 1.669e-07 -6.535 -6.778 -0.243 -1.94 H+ 7.967e-08 5.899e-08 -7.099 -7.229 -0.131 0.00 H2O 5.551e+01 9.727e-01 1.744 -0.012 0.000 18.07 -H(0) 2.557e-39 - H2 1.278e-39 1.650e-39 -38.893 -38.783 0.111 28.61 +H(0) 2.309e-39 + H2 1.154e-39 1.490e-39 -38.938 -38.827 0.111 28.61 Na 1.404e+00 Na+ 9.050e-01 6.681e-01 -0.043 -0.175 -0.132 -0.25 NaSO4- 4.988e-01 3.258e-01 -0.302 -0.487 -0.185 12.84 - NaOH 8.639e-18 1.115e-17 -17.064 -16.953 0.111 (0) -O(0) 2.245e-15 - O2 1.122e-15 1.449e-15 -14.950 -14.839 0.111 30.40 +O(0) 2.754e-15 + O2 1.377e-15 1.777e-15 -14.861 -14.750 0.111 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.342 -117.585 -0.243 21.57 - H2S 0.000e+00 0.000e+00 -117.983 -117.872 0.111 36.27 - S-2 0.000e+00 0.000e+00 -122.487 -123.274 -0.787 (0) - (H2S)2 0.000e+00 0.000e+00 -237.134 -237.023 0.111 30.09 + HS- 0.000e+00 0.000e+00 -117.519 -117.762 -0.243 21.57 + H2S 0.000e+00 0.000e+00 -118.161 -118.050 0.111 36.27 + S-2 0.000e+00 0.000e+00 -122.664 -123.451 -0.787 (0) + (H2S)2 0.000e+00 0.000e+00 -237.489 -237.378 0.111 30.09 S(6) 7.019e-01 NaSO4- 4.988e-01 3.258e-01 -0.302 -0.487 -0.185 12.84 SO4-2 2.031e-01 2.995e-02 -0.692 -1.524 -0.831 44.62 @@ -9207,12 +9102,12 @@ S(6) 7.019e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.68 -38.78 -3.10 H2 + H2(g) -35.73 -38.83 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.88 -124.81 -7.94 H2S + H2S(g) -117.06 -124.99 -7.94 H2S Mirabilite -0.75 -1.99 -1.24 Na2SO4:10H2O - O2(g) -11.95 -14.84 -2.89 O2 - Sulfur -87.12 -82.24 4.88 S + O2(g) -11.86 -14.75 -2.89 O2 + Sulfur -87.25 -82.37 4.88 S Thenardite -1.57 -1.87 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9250,7 +9145,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.639 Adjusted to redox equilibrium + pe = -1.645 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 74936 Density (g/cm³) = 1.08206 Volume (L) = 1.01870 @@ -9258,9 +9153,9 @@ Reaction 1. Activity of water = 0.972 Ionic strength (mol/kgw) = 1.132e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.446e-17 + Total alkalinity (eq/kg) = 1.006e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.528e-11 + Electrical balance (eq) = 2.725e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9274,19 +9169,18 @@ Reaction 1. OH- 2.922e-07 1.666e-07 -6.534 -6.778 -0.244 -1.90 H+ 7.984e-08 5.906e-08 -7.098 -7.229 -0.131 0.00 H2O 5.551e+01 9.720e-01 1.744 -0.012 0.000 18.07 -H(0) 7.230e-15 - H2 3.615e-15 4.691e-15 -14.442 -14.329 0.113 28.61 +H(0) 7.410e-15 + H2 3.705e-15 4.808e-15 -14.431 -14.318 0.113 28.61 Na 1.440e+00 Na+ 9.260e-01 6.851e-01 -0.033 -0.164 -0.131 -0.24 NaSO4- 5.144e-01 3.354e-01 -0.289 -0.474 -0.186 13.04 - NaOH 8.793e-18 1.141e-17 -17.056 -16.943 0.113 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.860 -63.747 0.113 30.40 -S(-2) 3.689e-20 - HS- 3.007e-20 1.714e-20 -19.522 -19.766 -0.244 21.58 - H2S 6.821e-21 8.851e-21 -20.166 -20.053 0.113 36.27 - S-2 2.161e-25 3.505e-26 -24.665 -25.455 -0.790 (0) - (H2S)2 0.000e+00 0.000e+00 -41.497 -41.384 0.113 30.09 + O2 0.000e+00 0.000e+00 -63.882 -63.769 0.113 30.40 +S(-2) 4.070e-20 + HS- 3.317e-20 1.891e-20 -19.479 -19.723 -0.244 21.58 + H2S 7.526e-21 9.766e-21 -20.123 -20.010 0.113 36.27 + S-2 2.384e-25 3.867e-26 -24.623 -25.413 -0.790 (0) + (H2S)2 0.000e+00 0.000e+00 -41.412 -41.299 0.113 30.09 S(6) 7.202e-01 NaSO4- 5.144e-01 3.354e-01 -0.289 -0.474 -0.186 13.04 SO4-2 2.058e-01 3.008e-02 -0.687 -1.522 -0.835 44.91 @@ -9296,12 +9190,12 @@ S(6) 7.202e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.23 -14.33 -3.10 H2 + H2(g) -11.22 -14.32 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O - H2S(g) -19.06 -26.99 -7.94 H2S + H2S(g) -19.02 -26.95 -7.94 H2S Mirabilite -0.73 -1.97 -1.24 Na2SO4:10H2O - O2(g) -60.85 -63.75 -2.89 O2 - Sulfur -13.76 -8.87 4.88 S + O2(g) -60.88 -63.77 -2.89 O2 + Sulfur -13.72 -8.84 4.88 S Thenardite -1.55 -1.85 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9339,7 +9233,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.228 Charge balance - pe = 10.658 Adjusted to redox equilibrium + pe = 10.643 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 76977 Density (g/cm³) = 1.08541 Volume (L) = 1.01953 @@ -9347,7 +9241,7 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 1.171e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.709e-18 + Total alkalinity (eq/kg) = 9.404e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.462e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -9363,19 +9257,18 @@ Reaction 1. OH- 2.924e-07 1.660e-07 -6.534 -6.780 -0.246 -1.84 H+ 8.013e-08 5.920e-08 -7.096 -7.228 -0.131 0.00 H2O 5.551e+01 9.709e-01 1.744 -0.013 0.000 18.07 -H(0) 1.831e-39 - H2 9.156e-40 1.199e-39 -39.038 -38.921 0.117 28.61 +H(0) 1.960e-39 + H2 9.801e-40 1.283e-39 -39.009 -38.892 0.117 28.61 Na 1.501e+00 Na+ 9.607e-01 7.134e-01 -0.017 -0.147 -0.129 -0.22 NaSO4- 5.403e-01 3.515e-01 -0.267 -0.454 -0.187 13.38 - NaOH 9.044e-18 1.184e-17 -17.044 -16.927 0.117 (0) -O(0) 4.175e-15 - O2 2.088e-15 2.734e-15 -14.680 -14.563 0.117 30.40 +O(0) 3.644e-15 + O2 1.822e-15 2.386e-15 -14.739 -14.622 0.117 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.884 -118.130 -0.246 21.59 - H2S 0.000e+00 0.000e+00 -118.533 -118.416 0.117 36.27 - S-2 0.000e+00 0.000e+00 -123.026 -123.821 -0.795 (0) - (H2S)2 0.000e+00 0.000e+00 -238.228 -238.111 0.117 30.09 + HS- 0.000e+00 0.000e+00 -117.766 -118.012 -0.246 21.59 + H2S 0.000e+00 0.000e+00 -118.415 -118.298 0.117 36.27 + S-2 0.000e+00 0.000e+00 -122.908 -123.702 -0.795 (0) + (H2S)2 0.000e+00 0.000e+00 -237.991 -237.874 0.117 30.09 S(6) 7.505e-01 NaSO4- 5.403e-01 3.515e-01 -0.267 -0.454 -0.187 13.38 SO4-2 2.102e-01 3.026e-02 -0.677 -1.519 -0.842 45.39 @@ -9385,12 +9278,12 @@ S(6) 7.505e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.82 -38.92 -3.10 H2 + H2(g) -35.79 -38.89 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O - H2S(g) -117.42 -125.36 -7.94 H2S + H2S(g) -117.30 -125.24 -7.94 H2S Mirabilite -0.70 -1.94 -1.24 Na2SO4:10H2O - O2(g) -11.67 -14.56 -2.89 O2 - Sulfur -87.53 -82.65 4.88 S + O2(g) -11.73 -14.62 -2.89 O2 + Sulfur -87.44 -82.56 4.88 S Thenardite -1.51 -1.81 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9428,7 +9321,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.220 Charge balance - pe = -1.226 Adjusted to redox equilibrium + pe = -1.262 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 88813 Density (g/cm³) = 1.10655 Volume (L) = 1.02503 @@ -9436,9 +9329,9 @@ Reaction 1. Activity of water = 0.964 Ionic strength (mol/kgw) = 1.415e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.005e-16 + Total alkalinity (eq/kg) = 1.363e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.993e-10 + Electrical balance (eq) = 3.652e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -9452,19 +9345,18 @@ Reaction 1. OH- 2.919e-07 1.618e-07 -6.535 -6.791 -0.256 -1.47 H+ 8.216e-08 6.030e-08 -7.085 -7.220 -0.134 0.00 H2O 5.551e+01 9.639e-01 1.744 -0.016 0.000 18.07 -H(0) 1.053e-15 - H2 5.267e-16 7.297e-16 -15.278 -15.137 0.142 28.61 +H(0) 1.242e-15 + H2 6.208e-16 8.600e-16 -15.207 -15.066 0.142 28.61 Na 1.890e+00 Na+ 1.180e+00 8.998e-01 0.072 -0.046 -0.118 -0.10 NaSO4- 7.101e-01 4.557e-01 -0.149 -0.341 -0.193 15.29 - NaOH 1.051e-17 1.456e-17 -16.978 -16.837 0.142 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.280 -62.138 0.142 30.40 -S(-2) 2.394e-23 - HS- 1.977e-23 1.096e-23 -22.704 -22.960 -0.256 21.70 - H2S 4.170e-24 5.777e-24 -23.380 -23.238 0.142 36.27 - S-2 1.455e-28 2.195e-29 -27.837 -28.659 -0.822 (0) - (H2S)2 0.000e+00 0.000e+00 -47.896 -47.755 0.142 30.09 + O2 0.000e+00 0.000e+00 -62.422 -62.281 0.142 30.40 +S(-2) 4.618e-23 + HS- 3.814e-23 2.114e-23 -22.419 -22.675 -0.256 21.70 + H2S 8.046e-24 1.115e-23 -23.094 -22.953 0.142 36.27 + S-2 2.808e-28 4.234e-29 -27.552 -28.373 -0.822 (0) + (H2S)2 0.000e+00 0.000e+00 -47.326 -47.184 0.142 30.09 S(6) 9.452e-01 NaSO4- 7.101e-01 4.557e-01 -0.149 -0.341 -0.193 15.29 SO4-2 2.350e-01 3.111e-02 -0.629 -1.507 -0.878 48.20 @@ -9474,12 +9366,12 @@ S(6) 9.452e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.04 -15.14 -3.10 H2 + H2(g) -11.96 -15.07 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -22.24 -30.18 -7.94 H2S + H2S(g) -21.96 -29.89 -7.94 H2S Mirabilite -0.52 -1.76 -1.24 Na2SO4:10H2O - O2(g) -59.25 -62.14 -2.89 O2 - Sulfur -16.13 -11.25 4.88 S + O2(g) -59.39 -62.28 -2.89 O2 + Sulfur -15.92 -11.04 4.88 S Thenardite -1.30 -1.60 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9487,12 +9379,6 @@ S(6) 9.452e-01 Reaction step 62. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using temperature 1. Using pressure 1. @@ -9523,7 +9409,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.217 Charge balance - pe = 9.890 Adjusted to redox equilibrium + pe = -1.109 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 91784 Density (g/cm³) = 1.11241 Volume (L) = 1.02664 @@ -9531,11 +9417,11 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.482e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.517e-15 + Total alkalinity (eq/kg) = 1.812e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.208e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 28 (129 overall) + Electrical balance (eq) = 3.109e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.950622e+01 @@ -9547,19 +9433,18 @@ Reaction 1. OH- 2.912e-07 1.605e-07 -6.536 -6.795 -0.259 -1.37 H+ 8.278e-08 6.066e-08 -7.082 -7.217 -0.135 0.00 H2O 5.551e+01 9.619e-01 1.744 -0.017 0.000 18.07 -H(0) 6.134e-38 - H2 3.067e-38 4.315e-38 -37.513 -37.365 0.148 28.61 +H(0) 6.107e-16 + H2 3.054e-16 4.296e-16 -15.515 -15.367 0.148 28.61 Na 2.000e+00 Na+ 1.241e+00 9.538e-01 0.094 -0.021 -0.114 -0.07 NaSO4- 7.588e-01 4.854e-01 -0.120 -0.314 -0.194 15.77 - NaOH 1.088e-17 1.531e-17 -16.963 -16.815 0.148 (0) -O(0) 2.945e-18 - O2 1.473e-18 2.072e-18 -17.832 -17.684 0.148 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -111.606 -111.865 -0.259 21.72 - H2S 0.000e+00 0.000e+00 -112.288 -112.140 0.148 36.27 - S-2 0.000e+00 0.000e+00 -116.738 -117.566 -0.828 (0) - (H2S)2 0.000e+00 0.000e+00 -225.707 -225.559 0.148 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.828 -61.680 0.148 30.40 +S(-2) 2.940e-24 + HS- 2.434e-24 1.341e-24 -23.614 -23.872 -0.259 21.72 + H2S 5.058e-25 7.115e-25 -24.296 -24.148 0.148 36.27 + S-2 1.797e-29 2.671e-30 -28.745 -29.573 -0.828 (0) + (H2S)2 0.000e+00 0.000e+00 -49.722 -49.574 0.148 30.09 S(6) 1.000e+00 NaSO4- 7.588e-01 4.854e-01 -0.120 -0.314 -0.194 15.77 SO4-2 2.412e-01 3.126e-02 -0.618 -1.505 -0.887 48.92 @@ -9569,12 +9454,12 @@ S(6) 1.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.26 -37.37 -3.10 H2 + H2(g) -12.27 -15.37 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -111.15 -119.08 -7.94 H2S + H2S(g) -23.15 -31.09 -7.94 H2S Mirabilite -0.47 -1.71 -1.24 Na2SO4:10H2O - O2(g) -14.79 -17.68 -2.89 O2 - Sulfur -82.81 -77.93 4.88 S + O2(g) -58.79 -61.68 -2.89 O2 + Sulfur -16.81 -11.93 4.88 S Thenardite -1.25 -1.55 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9612,7 +9497,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.217 Charge balance - pe = -1.580 Adjusted to redox equilibrium + pe = -1.554 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 92319 Density (g/cm³) = 1.11349 Volume (L) = 1.02694 @@ -9620,9 +9505,9 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.495e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.585e-17 + Total alkalinity (eq/kg) = 4.991e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.159e-10 + Electrical balance (eq) = 4.889e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9636,19 +9521,18 @@ Reaction 1. OH- 2.911e-07 1.602e-07 -6.536 -6.795 -0.259 -1.36 H+ 8.290e-08 6.073e-08 -7.081 -7.217 -0.135 0.00 H2O 5.551e+01 9.615e-01 1.744 -0.017 0.000 18.07 -H(0) 5.360e-15 - H2 2.680e-15 3.781e-15 -14.572 -14.422 0.149 28.61 +H(0) 4.746e-15 + H2 2.373e-15 3.348e-15 -14.625 -14.475 0.149 28.61 Na 2.020e+00 Na+ 1.252e+00 9.639e-01 0.098 -0.016 -0.114 -0.07 NaSO4- 7.679e-01 4.909e-01 -0.115 -0.309 -0.194 15.86 - NaOH 1.095e-17 1.545e-17 -16.961 -16.811 0.149 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.719 -63.569 0.149 30.40 -S(-2) 1.772e-20 - HS- 1.468e-20 8.080e-21 -19.833 -20.093 -0.259 21.73 - H2S 3.041e-21 4.290e-21 -20.517 -20.367 0.149 36.27 - S-2 1.084e-25 1.607e-26 -24.965 -25.794 -0.829 (0) - (H2S)2 0.000e+00 0.000e+00 -42.163 -42.013 0.149 30.09 + O2 0.000e+00 0.000e+00 -63.613 -63.464 0.149 30.40 +S(-2) 1.089e-20 + HS- 9.023e-21 4.968e-21 -20.045 -20.304 -0.259 21.73 + H2S 1.870e-21 2.638e-21 -20.728 -20.579 0.149 36.27 + S-2 6.667e-26 9.879e-27 -25.176 -26.005 -0.829 (0) + (H2S)2 0.000e+00 0.000e+00 -42.585 -42.436 0.149 30.09 S(6) 1.010e+00 NaSO4- 7.679e-01 4.909e-01 -0.115 -0.309 -0.194 15.86 SO4-2 2.423e-01 3.129e-02 -0.616 -1.505 -0.889 49.05 @@ -9658,12 +9542,12 @@ S(6) 1.010e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.32 -14.42 -3.10 H2 + H2(g) -11.37 -14.48 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -19.37 -27.31 -7.94 H2S + H2S(g) -19.58 -27.52 -7.94 H2S Mirabilite -0.47 -1.71 -1.24 Na2SO4:10H2O - O2(g) -60.68 -63.57 -2.89 O2 - Sulfur -13.98 -9.10 4.88 S + O2(g) -60.57 -63.46 -2.89 O2 + Sulfur -14.14 -9.25 4.88 S Thenardite -1.24 -1.54 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9701,7 +9585,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.208 Charge balance - pe = -1.617 Adjusted to redox equilibrium + pe = -1.608 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 100430 Density (g/cm³) = 1.13109 Volume (L) = 1.03203 @@ -9709,9 +9593,9 @@ Reaction 1. Activity of water = 0.956 Ionic strength (mol/kgw) = 1.696e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.356e-17 + Total alkalinity (eq/kg) = -7.755e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.821e-10 + Electrical balance (eq) = 5.518e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9725,19 +9609,18 @@ Reaction 1. OH- 2.881e-07 1.561e-07 -6.541 -6.806 -0.266 -1.06 H+ 8.491e-08 6.194e-08 -7.071 -7.208 -0.137 0.00 H2O 5.551e+01 9.555e-01 1.744 -0.020 0.000 18.07 -H(0) 6.300e-15 - H2 3.150e-15 4.655e-15 -14.502 -14.332 0.170 28.61 +H(0) 6.039e-15 + H2 3.020e-15 4.462e-15 -14.520 -14.350 0.170 28.61 Na 2.356e+00 Na+ 1.437e+00 1.134e+00 0.157 0.055 -0.103 0.02 NaSO4- 9.189e-01 5.824e-01 -0.037 -0.235 -0.198 17.19 - NaOH 1.198e-17 1.770e-17 -16.922 -16.752 0.170 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.925 -63.755 0.170 30.40 -S(-2) 4.328e-20 - HS- 3.610e-20 1.957e-20 -19.442 -19.708 -0.266 21.80 - H2S 7.172e-21 1.060e-20 -20.144 -19.975 0.170 36.27 - S-2 2.679e-25 3.816e-26 -24.572 -25.418 -0.846 (0) - (H2S)2 0.000e+00 0.000e+00 -41.397 -41.228 0.170 30.09 + O2 0.000e+00 0.000e+00 -63.888 -63.719 0.170 30.40 +S(-2) 3.654e-20 + HS- 3.049e-20 1.653e-20 -19.516 -19.782 -0.266 21.80 + H2S 6.057e-21 8.950e-21 -20.218 -20.048 0.170 36.27 + S-2 2.262e-25 3.222e-26 -24.645 -25.492 -0.846 (0) + (H2S)2 0.000e+00 0.000e+00 -41.544 -41.375 0.170 30.09 S(6) 1.178e+00 NaSO4- 9.189e-01 5.824e-01 -0.037 -0.235 -0.198 17.19 SO4-2 2.590e-01 3.155e-02 -0.587 -1.501 -0.914 51.11 @@ -9747,12 +9630,12 @@ S(6) 1.178e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.23 -14.33 -3.10 H2 + H2(g) -11.25 -14.35 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -18.98 -26.92 -7.94 H2S + H2S(g) -19.05 -26.99 -7.94 H2S Mirabilite -0.35 -1.59 -1.24 Na2SO4:10H2O - O2(g) -60.86 -63.76 -2.89 O2 - Sulfur -13.67 -8.79 4.88 S + O2(g) -60.83 -63.72 -2.89 O2 + Sulfur -13.73 -8.85 4.88 S Thenardite -1.09 -1.39 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9790,7 +9673,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.207 Charge balance - pe = -1.598 Adjusted to redox equilibrium + pe = -1.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 101366 Density (g/cm³) = 1.13328 Volume (L) = 1.03269 @@ -9798,11 +9681,11 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.721e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.171e-16 + Total alkalinity (eq/kg) = 1.933e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.600e-10 + Electrical balance (eq) = 3.377e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 15 Total H = 1.110124e+02 Total O = 6.030262e+01 @@ -9814,19 +9697,18 @@ Reaction 1. OH- 2.876e-07 1.556e-07 -6.541 -6.808 -0.267 -1.02 H+ 8.517e-08 6.210e-08 -7.070 -7.207 -0.137 0.00 H2O 5.551e+01 9.548e-01 1.744 -0.020 0.000 18.07 -H(0) 5.766e-15 - H2 2.883e-15 4.285e-15 -14.540 -14.368 0.172 28.61 +H(0) 3.350e-15 + H2 1.675e-15 2.489e-15 -14.776 -14.604 0.172 28.61 Na 2.398e+00 Na+ 1.460e+00 1.156e+00 0.164 0.063 -0.101 0.03 NaSO4- 9.382e-01 5.940e-01 -0.028 -0.226 -0.199 17.35 - NaOH 1.210e-17 1.799e-17 -16.917 -16.745 0.172 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.856 -63.684 0.172 30.40 -S(-2) 3.131e-20 - HS- 2.614e-20 1.414e-20 -19.583 -19.849 -0.267 21.81 - H2S 5.168e-21 7.680e-21 -20.287 -20.115 0.172 36.27 - S-2 1.940e-25 2.751e-26 -24.712 -25.561 -0.848 (0) - (H2S)2 0.000e+00 0.000e+00 -41.680 -41.507 0.172 30.09 + O2 0.000e+00 0.000e+00 -63.384 -63.212 0.172 30.40 +S(-2) 3.567e-21 + HS- 2.978e-21 1.611e-21 -20.526 -20.793 -0.267 21.81 + H2S 5.887e-22 8.750e-22 -21.230 -21.058 0.172 36.27 + S-2 2.210e-26 3.134e-27 -25.656 -26.504 -0.848 (0) + (H2S)2 0.000e+00 0.000e+00 -43.566 -43.394 0.172 30.09 S(6) 1.199e+00 NaSO4- 9.382e-01 5.940e-01 -0.028 -0.226 -0.199 17.35 SO4-2 2.609e-01 3.157e-02 -0.584 -1.501 -0.917 51.36 @@ -9836,12 +9718,12 @@ S(6) 1.199e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.27 -14.37 -3.10 H2 + H2(g) -11.50 -14.60 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -19.12 -27.06 -7.94 H2S + H2S(g) -20.06 -28.00 -7.94 H2S Mirabilite -0.34 -1.58 -1.24 Na2SO4:10H2O - O2(g) -60.79 -63.68 -2.89 O2 - Sulfur -13.78 -8.90 4.88 S + O2(g) -60.32 -63.21 -2.89 O2 + Sulfur -14.49 -9.60 4.88 S Thenardite -1.07 -1.37 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9879,7 +9761,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.207 Charge balance - pe = -1.615 Adjusted to redox equilibrium + pe = -1.576 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 101405 Density (g/cm³) = 1.13337 Volume (L) = 1.03271 @@ -9887,11 +9769,11 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.722e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.638e-16 + Total alkalinity (eq/kg) = -1.269e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.079e-09 + Electrical balance (eq) = 1.139e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 6.030622e+01 @@ -9903,19 +9785,18 @@ Reaction 1. OH- 2.876e-07 1.556e-07 -6.541 -6.808 -0.267 -1.02 H+ 8.518e-08 6.211e-08 -7.070 -7.207 -0.137 0.00 H2O 5.551e+01 9.548e-01 1.744 -0.020 0.000 18.07 -H(0) 6.237e-15 - H2 3.118e-15 4.636e-15 -14.506 -14.334 0.172 28.61 +H(0) 5.211e-15 + H2 2.606e-15 3.873e-15 -14.584 -14.412 0.172 28.61 Na 2.400e+00 Na+ 1.461e+00 1.157e+00 0.165 0.063 -0.101 0.03 NaSO4- 9.390e-01 5.945e-01 -0.027 -0.226 -0.199 17.36 - NaOH 1.211e-17 1.800e-17 -16.917 -16.745 0.172 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.925 -63.752 0.172 30.40 -S(-2) 4.290e-20 - HS- 3.582e-20 1.938e-20 -19.446 -19.713 -0.267 21.81 - H2S 7.080e-21 1.053e-20 -20.150 -19.978 0.172 36.27 - S-2 2.659e-25 3.769e-26 -24.575 -25.424 -0.848 (0) - (H2S)2 0.000e+00 0.000e+00 -41.406 -41.234 0.172 30.09 + O2 0.000e+00 0.000e+00 -63.769 -63.596 0.172 30.40 +S(-2) 2.091e-20 + HS- 1.746e-20 9.446e-21 -19.758 -20.025 -0.267 21.81 + H2S 3.451e-21 5.130e-21 -20.462 -20.290 0.172 36.27 + S-2 1.296e-25 1.837e-26 -24.887 -25.736 -0.848 (0) + (H2S)2 0.000e+00 0.000e+00 -42.030 -41.858 0.172 30.09 S(6) 1.200e+00 NaSO4- 9.390e-01 5.945e-01 -0.027 -0.226 -0.199 17.36 SO4-2 2.610e-01 3.157e-02 -0.583 -1.501 -0.917 51.37 @@ -9925,12 +9806,12 @@ S(6) 1.200e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.23 -14.33 -3.10 H2 + H2(g) -11.31 -14.41 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -18.98 -26.92 -7.94 H2S + H2S(g) -19.30 -27.23 -7.94 H2S Mirabilite -0.34 -1.58 -1.24 Na2SO4:10H2O - O2(g) -60.86 -63.75 -2.89 O2 - Sulfur -13.68 -8.79 4.88 S + O2(g) -60.70 -63.60 -2.89 O2 + Sulfur -13.91 -9.03 4.88 S Thenardite -1.07 -1.37 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9968,7 +9849,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.191 Charge balance - pe = -1.677 Adjusted to redox equilibrium + pe = -1.705 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 112424 Density (g/cm³) = 1.16290 Volume (L) = 1.04206 @@ -9976,9 +9857,9 @@ Reaction 1. Activity of water = 0.944 Ionic strength (mol/kgw) = 2.059e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.508e-17 + Total alkalinity (eq/kg) = -5.280e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.233e-10 + Electrical balance (eq) = 8.768e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9992,19 +9873,18 @@ Reaction 1. OH- 2.801e-07 1.483e-07 -6.553 -6.829 -0.276 -0.54 H+ 8.891e-08 6.447e-08 -7.051 -7.191 -0.140 0.00 H2O 5.551e+01 9.445e-01 1.744 -0.025 0.000 18.07 -H(0) 8.268e-15 - H2 4.134e-15 6.641e-15 -14.384 -14.178 0.206 28.61 +H(0) 9.425e-15 + H2 4.713e-15 7.571e-15 -14.327 -14.121 0.206 28.61 Na 2.982e+00 Na+ 1.775e+00 1.471e+00 0.249 0.168 -0.082 0.16 NaSO4- 1.207e+00 7.552e-01 0.082 -0.122 -0.204 19.32 - NaOH 1.358e-17 2.182e-17 -16.867 -16.661 0.206 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.280 -64.074 0.206 30.40 -S(-2) 1.980e-19 - HS- 1.670e-19 8.839e-20 -18.777 -19.054 -0.276 21.93 - H2S 3.101e-20 4.983e-20 -19.508 -19.303 0.206 36.27 - S-2 1.234e-24 1.656e-25 -23.909 -24.781 -0.872 (0) - (H2S)2 0.000e+00 1.308e-40 -40.089 -39.883 0.206 30.09 + O2 0.000e+00 0.000e+00 -64.394 -64.188 0.206 30.40 +S(-2) 3.344e-19 + HS- 2.820e-19 1.493e-19 -18.550 -18.826 -0.276 21.93 + H2S 5.238e-20 8.415e-20 -19.281 -19.075 0.206 36.27 + S-2 2.083e-24 2.797e-25 -23.681 -24.553 -0.872 (0) + (H2S)2 2.323e-40 3.732e-40 -39.634 -39.428 0.206 30.09 S(6) 1.491e+00 NaSO4- 1.207e+00 7.552e-01 0.082 -0.122 -0.204 19.32 SO4-2 2.839e-01 3.153e-02 -0.547 -1.501 -0.954 54.52 @@ -10014,12 +9894,12 @@ S(6) 1.491e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.08 -14.18 -3.10 H2 + H2(g) -11.02 -14.12 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O - H2S(g) -18.31 -26.24 -7.94 H2S + H2S(g) -18.08 -26.02 -7.94 H2S Mirabilite -0.17 -1.41 -1.24 Na2SO4:10H2O - O2(g) -61.18 -64.07 -2.89 O2 - Sulfur -13.16 -8.27 4.88 S + O2(g) -61.30 -64.19 -2.89 O2 + Sulfur -12.99 -8.10 4.88 S Thenardite -0.87 -1.17 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10057,7 +9937,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.179 Charge balance - pe = -1.547 Adjusted to redox equilibrium + pe = -1.536 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 118459 Density (g/cm³) = 1.18337 Volume (L) = 1.04909 @@ -10065,11 +9945,11 @@ Reaction 1. Activity of water = 0.937 Ionic strength (mol/kgw) = 2.294e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.814e-16 + Total alkalinity (eq/kg) = 1.909e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.141e-10 + Electrical balance (eq) = 1.433e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 13 Total H = 1.110124e+02 Total O = 6.230582e+01 @@ -10081,19 +9961,18 @@ Reaction 1. OH- 2.738e-07 1.431e-07 -6.562 -6.844 -0.282 -0.21 H+ 9.170e-08 6.627e-08 -7.038 -7.179 -0.141 0.00 H2O 5.551e+01 9.372e-01 1.744 -0.028 0.000 18.07 -H(0) 4.552e-15 - H2 2.276e-15 3.860e-15 -14.643 -14.413 0.229 28.61 +H(0) 4.326e-15 + H2 2.163e-15 3.669e-15 -14.665 -14.436 0.229 28.61 Na 3.400e+00 Na+ 1.997e+00 1.712e+00 0.300 0.234 -0.067 0.25 NaSO4- 1.403e+00 8.715e-01 0.147 -0.060 -0.207 20.55 - NaOH 1.445e-17 2.450e-17 -16.840 -16.611 0.229 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.839 -63.610 0.229 30.40 -S(-2) 2.392e-20 - HS- 2.030e-20 1.061e-20 -19.693 -19.974 -0.282 22.00 - H2S 3.624e-21 6.147e-21 -20.441 -20.211 0.229 36.27 - S-2 1.487e-25 1.933e-26 -24.828 -25.714 -0.886 (0) - (H2S)2 0.000e+00 0.000e+00 -41.930 -41.701 0.229 30.09 + O2 0.000e+00 0.000e+00 -63.795 -63.565 0.229 30.40 +S(-2) 1.951e-20 + HS- 1.656e-20 8.654e-21 -19.781 -20.063 -0.282 22.00 + H2S 2.957e-21 5.014e-21 -20.529 -20.300 0.229 36.27 + S-2 1.213e-25 1.577e-26 -24.916 -25.802 -0.886 (0) + (H2S)2 0.000e+00 0.000e+00 -42.107 -41.878 0.229 30.09 S(6) 1.700e+00 NaSO4- 1.403e+00 8.715e-01 0.147 -0.060 -0.207 20.55 SO4-2 2.971e-01 3.127e-02 -0.527 -1.505 -0.978 56.55 @@ -10103,12 +9982,12 @@ S(6) 1.700e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.31 -14.41 -3.10 H2 + H2(g) -11.33 -14.44 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O - H2S(g) -19.22 -27.15 -7.94 H2S + H2S(g) -19.31 -27.24 -7.94 H2S Mirabilite -0.08 -1.32 -1.24 Na2SO4:10H2O - O2(g) -60.72 -63.61 -2.89 O2 - Sulfur -13.83 -8.95 4.88 S + O2(g) -60.67 -63.57 -2.89 O2 + Sulfur -13.90 -9.01 4.88 S Thenardite -0.74 -1.04 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10146,7 +10025,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.168 Charge balance - pe = 10.842 Adjusted to redox equilibrium + pe = 10.588 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 122734 Density (g/cm³) = 1.20125 Volume (L) = 1.05561 @@ -10154,9 +10033,9 @@ Reaction 1. Activity of water = 0.931 Ionic strength (mol/kgw) = 2.501e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.553e-16 + Total alkalinity (eq/kg) = 3.947e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.522e-10 + Electrical balance (eq) = 2.704e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -10170,19 +10049,18 @@ Reaction 1. OH- 2.680e-07 1.386e-07 -6.572 -6.858 -0.286 0.08 H+ 9.424e-08 6.794e-08 -7.026 -7.168 -0.142 0.00 H2O 5.551e+01 9.306e-01 1.744 -0.031 0.000 18.07 -H(0) 7.616e-40 - H2 3.808e-40 6.773e-40 -39.419 -39.169 0.250 28.61 +H(0) 2.447e-39 + H2 1.224e-39 2.177e-39 -38.912 -38.662 0.250 28.61 Na 3.774e+00 Na+ 2.194e+00 1.940e+00 0.341 0.288 -0.053 0.32 NaSO4- 1.580e+00 9.763e-01 0.199 -0.010 -0.209 21.56 - NaOH 1.512e-17 2.689e-17 -16.820 -16.570 0.250 (0) -O(0) 8.850e-15 - O2 4.425e-15 7.870e-15 -14.354 -14.104 0.250 30.40 +O(0) 8.568e-16 + O2 4.284e-16 7.620e-16 -15.368 -15.118 0.250 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -118.693 -118.980 -0.286 22.07 - H2S 0.000e+00 0.000e+00 -119.456 -119.206 0.250 36.27 - S-2 0.000e+00 0.000e+00 -123.833 -124.730 -0.897 (0) - (H2S)2 0.000e+00 0.000e+00 -239.940 -239.690 0.250 30.09 + HS- 0.000e+00 0.000e+00 -116.665 -116.952 -0.286 22.07 + H2S 0.000e+00 0.000e+00 -117.428 -117.178 0.250 36.27 + S-2 0.000e+00 0.000e+00 -121.805 -122.702 -0.897 (0) + (H2S)2 0.000e+00 0.000e+00 -235.884 -235.634 0.250 30.09 S(6) 1.887e+00 NaSO4- 1.580e+00 9.763e-01 0.199 -0.010 -0.209 21.56 SO4-2 3.070e-01 3.092e-02 -0.513 -1.510 -0.997 58.25 @@ -10192,12 +10070,12 @@ S(6) 1.887e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.07 -39.17 -3.10 H2 + H2(g) -35.56 -38.66 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O - H2S(g) -118.21 -126.15 -7.94 H2S + H2S(g) -116.18 -124.12 -7.94 H2S Mirabilite -0.01 -1.25 -1.24 Na2SO4:10H2O - O2(g) -11.21 -14.10 -2.89 O2 - Sulfur -88.07 -83.19 4.88 S + O2(g) -12.23 -15.12 -2.89 O2 + Sulfur -86.55 -81.67 4.88 S Thenardite -0.63 -0.93 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10339,7 +10217,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.008 Charge balance - pe = -1.269 Adjusted to redox equilibrium + pe = -1.268 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 9210 Density (g/cm³) = 0.99914 Volume (L) = 1.00662 @@ -10347,9 +10225,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 9.666e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.256e-17 + Total alkalinity (eq/kg) = 2.077e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 5.967e-16 + Electrical balance (eq) = 8.812e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -10363,19 +10241,18 @@ Reaction 1. OH- 2.793e-07 2.125e-07 -6.554 -6.673 -0.119 -3.45 H+ 1.192e-07 9.824e-08 -6.924 -7.008 -0.084 0.00 H2O 5.551e+01 9.981e-01 1.744 -0.001 0.000 18.12 -H(0) 4.190e-15 - H2 2.095e-15 2.142e-15 -14.679 -14.669 0.010 28.60 +H(0) 4.166e-15 + H2 2.083e-15 2.130e-15 -14.681 -14.672 0.010 28.60 Na 8.100e-02 Na+ 6.858e-02 5.375e-02 -1.164 -1.270 -0.106 -0.66 NaSO4- 1.242e-02 9.790e-03 -1.906 -2.009 -0.103 -4.03 - NaOH 1.117e-18 1.142e-18 -17.952 -17.942 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.931 -59.921 0.010 31.10 -S(-2) 4.118e-23 - HS- 2.770e-23 2.107e-23 -22.558 -22.676 -0.119 21.23 - H2S 1.348e-23 1.378e-23 -22.870 -22.861 0.010 38.44 - S-2 1.343e-28 5.026e-29 -27.872 -28.299 -0.427 (0) - (H2S)2 0.000e+00 0.000e+00 -46.908 -46.898 0.010 29.63 + O2 0.000e+00 0.000e+00 -59.926 -59.916 0.010 31.10 +S(-2) 4.024e-23 + HS- 2.707e-23 2.059e-23 -22.568 -22.686 -0.119 21.23 + H2S 1.317e-23 1.347e-23 -22.880 -22.871 0.010 38.44 + S-2 1.312e-28 4.912e-29 -27.882 -28.309 -0.427 (0) + (H2S)2 0.000e+00 0.000e+00 -46.928 -46.918 0.010 29.63 S(6) 4.050e-02 SO4-2 2.808e-02 1.042e-02 -1.552 -1.982 -0.431 25.19 NaSO4- 1.242e-02 9.790e-03 -1.906 -2.009 -0.103 -4.03 @@ -10387,10 +10264,10 @@ S(6) 4.050e-02 H2(g) -11.55 -14.67 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -21.76 -29.68 -7.92 H2S + H2S(g) -21.77 -29.69 -7.92 H2S Mirabilite -3.69 -4.53 -0.84 Na2SO4:10H2O O2(g) -56.96 -59.92 -2.96 O2 - Sulfur -16.04 -11.38 4.66 S + Sulfur -16.05 -11.39 4.66 S Thenardite -4.17 -4.52 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10428,7 +10305,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.020 Charge balance - pe = 9.990 Adjusted to redox equilibrium + pe = 9.989 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 11057 Density (g/cm³) = 1.00033 Volume (L) = 1.00677 @@ -10436,9 +10313,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.165e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.242e-17 + Total alkalinity (eq/kg) = 3.142e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 7.314e-12 + Electrical balance (eq) = 7.414e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10452,19 +10329,18 @@ Reaction 1. OH- 2.925e-07 2.183e-07 -6.534 -6.661 -0.127 -3.40 H+ 1.170e-07 9.558e-08 -6.932 -7.020 -0.088 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.12 -H(0) 1.197e-37 - H2 5.984e-38 6.147e-38 -37.223 -37.211 0.012 28.60 +H(0) 1.202e-37 + H2 6.012e-38 6.175e-38 -37.221 -37.209 0.012 28.60 Na 1.000e-01 Na+ 8.324e-02 6.434e-02 -1.080 -1.191 -0.112 -0.62 NaSO4- 1.676e-02 1.302e-02 -1.776 -1.885 -0.109 -2.99 - NaOH 1.367e-18 1.405e-18 -17.864 -17.852 0.012 (0) -O(0) 2.835e-15 - O2 1.418e-15 1.456e-15 -14.848 -14.837 0.012 31.10 +O(0) 2.810e-15 + O2 1.405e-15 1.443e-15 -14.852 -14.841 0.012 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.683 -112.811 -0.127 21.26 - H2S 0.000e+00 0.000e+00 -113.018 -113.007 0.012 38.44 - S-2 0.000e+00 0.000e+00 -117.968 -118.421 -0.453 (0) - (H2S)2 0.000e+00 0.000e+00 -227.202 -227.191 0.012 29.63 + HS- 0.000e+00 0.000e+00 -112.676 -112.803 -0.127 21.26 + H2S 0.000e+00 0.000e+00 -113.011 -112.999 0.012 38.44 + S-2 0.000e+00 0.000e+00 -117.960 -118.413 -0.453 (0) + (H2S)2 0.000e+00 0.000e+00 -227.187 -227.175 0.012 29.63 S(6) 5.000e-02 SO4-2 3.324e-02 1.158e-02 -1.478 -1.936 -0.458 26.07 NaSO4- 1.676e-02 1.302e-02 -1.776 -1.885 -0.109 -2.99 @@ -10476,10 +10352,10 @@ S(6) 5.000e-02 H2(g) -34.09 -37.21 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -111.91 -119.83 -7.92 H2S + H2S(g) -111.90 -119.82 -7.92 H2S Mirabilite -3.49 -4.33 -0.84 Na2SO4:10H2O O2(g) -11.88 -14.84 -2.96 O2 - Sulfur -83.64 -78.99 4.66 S + Sulfur -83.64 -78.98 4.66 S Thenardite -3.97 -4.32 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10525,9 +10401,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.175e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.101e-17 + Total alkalinity (eq/kg) = 2.994e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 1.915e-15 + Electrical balance (eq) = 1.721e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -10541,19 +10417,18 @@ Reaction 1. OH- 2.931e-07 2.186e-07 -6.533 -6.660 -0.127 -3.39 H+ 1.169e-07 9.545e-08 -6.932 -7.020 -0.088 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.12 -H(0) 3.723e-15 - H2 1.861e-15 1.913e-15 -14.730 -14.718 0.012 28.60 +H(0) 3.720e-15 + H2 1.860e-15 1.911e-15 -14.731 -14.719 0.012 28.60 Na 1.010e-01 Na+ 8.401e-02 6.489e-02 -1.076 -1.188 -0.112 -0.62 NaSO4- 1.699e-02 1.320e-02 -1.770 -1.879 -0.110 -2.94 - NaOH 1.380e-18 1.418e-18 -17.860 -17.848 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.834 -59.823 0.012 31.10 -S(-2) 2.851e-23 - HS- 1.951e-23 1.455e-23 -22.710 -22.837 -0.127 21.27 - H2S 9.000e-24 9.247e-24 -23.046 -23.034 0.012 38.44 - S-2 1.017e-28 3.571e-29 -27.992 -28.447 -0.455 (0) - (H2S)2 0.000e+00 0.000e+00 -47.257 -47.245 0.012 29.63 + O2 0.000e+00 0.000e+00 -59.834 -59.822 0.012 31.10 +S(-2) 2.841e-23 + HS- 1.944e-23 1.450e-23 -22.711 -22.839 -0.127 21.27 + H2S 8.968e-24 9.213e-24 -23.047 -23.036 0.012 38.44 + S-2 1.014e-28 3.559e-29 -27.994 -28.449 -0.455 (0) + (H2S)2 0.000e+00 0.000e+00 -47.260 -47.248 0.012 29.63 S(6) 5.050e-02 SO4-2 3.351e-02 1.163e-02 -1.475 -1.934 -0.459 26.11 NaSO4- 1.699e-02 1.320e-02 -1.770 -1.879 -0.110 -2.94 @@ -10567,7 +10442,7 @@ S(6) 5.050e-02 H2O(g) -1.26 -0.00 1.26 H2O H2S(g) -21.94 -29.86 -7.92 H2S Mirabilite -3.48 -4.32 -0.84 Na2SO4:10H2O - O2(g) -56.87 -59.82 -2.96 O2 + O2(g) -56.86 -59.82 -2.96 O2 Sulfur -16.16 -11.51 4.66 S Thenardite -3.96 -4.31 -0.35 Na2SO4 @@ -10606,7 +10481,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.024 Charge balance - pe = 9.750 Adjusted to redox equilibrium + pe = 9.745 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 11739 Density (g/cm³) = 1.00078 Volume (L) = 1.00683 @@ -10614,9 +10489,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.238e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.603e-16 + Total alkalinity (eq/kg) = -7.145e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = -3.653e-10 + Electrical balance (eq) = -2.633e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.110124e+02 @@ -10630,19 +10505,18 @@ Reaction 1. OH- 2.970e-07 2.202e-07 -6.527 -6.657 -0.130 -3.38 H+ 1.164e-07 9.472e-08 -6.934 -7.024 -0.089 0.00 H2O 5.551e+01 9.976e-01 1.744 -0.001 0.000 18.12 -H(0) 3.549e-37 - H2 1.775e-37 1.826e-37 -36.751 -36.739 0.012 28.60 +H(0) 3.634e-37 + H2 1.817e-37 1.870e-37 -36.741 -36.728 0.012 28.60 Na 1.072e-01 Na+ 8.871e-02 6.826e-02 -1.052 -1.166 -0.114 -0.61 NaSO4- 1.847e-02 1.429e-02 -1.733 -1.845 -0.111 -2.64 - NaOH 1.461e-18 1.503e-18 -17.835 -17.823 0.012 (0) -O(0) 3.207e-16 - O2 1.604e-16 1.650e-16 -15.795 -15.783 0.012 31.10 +O(0) 3.058e-16 + O2 1.529e-16 1.573e-16 -15.816 -15.803 0.012 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -110.778 -110.908 -0.130 21.28 - H2S 0.000e+00 0.000e+00 -111.121 -111.108 0.012 38.44 - S-2 0.000e+00 0.000e+00 -116.053 -116.515 -0.462 (0) - (H2S)2 0.000e+00 0.000e+00 -223.407 -223.394 0.012 29.63 + HS- 0.000e+00 0.000e+00 -110.737 -110.867 -0.130 21.28 + H2S 0.000e+00 0.000e+00 -111.080 -111.067 0.012 38.44 + S-2 0.000e+00 0.000e+00 -116.011 -116.474 -0.462 (0) + (H2S)2 0.000e+00 0.000e+00 -223.324 -223.312 0.012 29.63 S(6) 5.359e-02 SO4-2 3.512e-02 1.198e-02 -1.454 -1.922 -0.467 26.37 NaSO4- 1.847e-02 1.429e-02 -1.733 -1.845 -0.111 -2.64 @@ -10652,12 +10526,12 @@ S(6) 5.359e-02 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -33.62 -36.74 -3.12 H2 + H2(g) -33.61 -36.73 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -110.01 -117.93 -7.92 H2S + H2S(g) -109.97 -117.89 -7.92 H2S Mirabilite -3.42 -4.26 -0.84 Na2SO4:10H2O - O2(g) -12.83 -15.78 -2.96 O2 - Sulfur -82.22 -77.56 4.66 S + O2(g) -12.85 -15.80 -2.96 O2 + Sulfur -82.19 -77.53 4.66 S Thenardite -3.91 -4.25 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10695,7 +10569,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.026 Charge balance - pe = -1.385 Adjusted to redox equilibrium + pe = -1.386 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 12104 Density (g/cm³) = 1.00102 Volume (L) = 1.00686 @@ -10703,9 +10577,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.278e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.640e-18 + Total alkalinity (eq/kg) = -1.624e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.924e-12 + Electrical balance (eq) = 1.016e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10719,19 +10593,18 @@ Reaction 1. OH- 2.993e-07 2.212e-07 -6.524 -6.655 -0.131 -3.37 H+ 1.160e-07 9.429e-08 -6.936 -7.026 -0.090 0.00 H2O 5.551e+01 9.975e-01 1.744 -0.001 0.000 18.12 -H(0) 6.545e-15 - H2 3.272e-15 3.370e-15 -14.485 -14.472 0.013 28.60 +H(0) 6.560e-15 + H2 3.280e-15 3.378e-15 -14.484 -14.471 0.013 28.60 Na 1.111e-01 Na+ 9.164e-02 7.036e-02 -1.038 -1.153 -0.115 -0.60 NaSO4- 1.942e-02 1.498e-02 -1.712 -1.824 -0.113 -2.46 - NaOH 1.511e-18 1.556e-18 -17.821 -17.808 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.328 -60.315 0.013 31.10 -S(-2) 2.850e-22 - HS- 1.965e-22 1.452e-22 -21.707 -21.838 -0.131 21.28 - H2S 8.852e-23 9.116e-23 -22.053 -22.040 0.013 38.44 - S-2 1.057e-27 3.608e-28 -26.976 -27.443 -0.467 (0) - (H2S)2 0.000e+00 0.000e+00 -45.270 -45.258 0.013 29.63 + O2 0.000e+00 0.000e+00 -60.330 -60.317 0.013 31.10 +S(-2) 2.876e-22 + HS- 1.983e-22 1.465e-22 -21.703 -21.834 -0.131 21.28 + H2S 8.934e-23 9.201e-23 -22.049 -22.036 0.013 38.44 + S-2 1.067e-27 3.642e-28 -26.972 -27.439 -0.467 (0) + (H2S)2 0.000e+00 0.000e+00 -45.262 -45.250 0.013 29.63 S(6) 5.553e-02 SO4-2 3.611e-02 1.218e-02 -1.442 -1.914 -0.472 26.53 NaSO4- 1.942e-02 1.498e-02 -1.712 -1.824 -0.113 -2.46 @@ -10745,8 +10618,8 @@ S(6) 5.553e-02 H2O(g) -1.26 -0.00 1.26 H2O H2S(g) -20.94 -28.86 -7.92 H2S Mirabilite -3.39 -4.23 -0.84 Na2SO4:10H2O - O2(g) -57.36 -60.31 -2.96 O2 - Sulfur -15.42 -10.76 4.66 S + O2(g) -57.36 -60.32 -2.96 O2 + Sulfur -15.41 -10.76 4.66 S Thenardite -3.87 -4.22 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10792,9 +10665,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.419e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.079e-17 + Total alkalinity (eq/kg) = 2.264e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 9.495e-12 + Electrical balance (eq) = 9.491e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10808,19 +10681,18 @@ Reaction 1. OH- 3.073e-07 2.245e-07 -6.512 -6.649 -0.136 -3.33 H+ 1.149e-07 9.287e-08 -6.940 -7.032 -0.092 0.00 H2O 5.551e+01 9.972e-01 1.744 -0.001 0.000 18.12 -H(0) 1.061e-37 - H2 5.307e-38 5.483e-38 -37.275 -37.261 0.014 28.60 +H(0) 1.066e-37 + H2 5.329e-38 5.506e-38 -37.273 -37.259 0.014 28.60 Na 1.252e-01 Na+ 1.023e-01 7.792e-02 -0.990 -1.108 -0.118 -0.58 NaSO4- 2.294e-02 1.756e-02 -1.639 -1.755 -0.116 -1.84 - NaOH 1.693e-18 1.750e-18 -17.771 -17.757 0.014 (0) -O(0) 3.539e-15 - O2 1.770e-15 1.828e-15 -14.752 -14.738 0.014 31.10 +O(0) 3.510e-15 + O2 1.755e-15 1.813e-15 -14.756 -14.742 0.014 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.838 -112.974 -0.136 21.30 - H2S 0.000e+00 0.000e+00 -113.197 -113.183 0.014 38.44 - S-2 0.000e+00 0.000e+00 -118.090 -118.572 -0.482 (0) - (H2S)2 0.000e+00 0.000e+00 -227.557 -227.543 0.014 29.63 + HS- 0.000e+00 0.000e+00 -112.831 -112.967 -0.136 21.30 + H2S 0.000e+00 0.000e+00 -113.190 -113.176 0.014 38.44 + S-2 0.000e+00 0.000e+00 -118.083 -118.565 -0.482 (0) + (H2S)2 0.000e+00 0.000e+00 -227.543 -227.529 0.014 29.63 S(6) 6.261e-02 SO4-2 3.966e-02 1.289e-02 -1.402 -1.890 -0.488 27.08 NaSO4- 2.294e-02 1.756e-02 -1.639 -1.755 -0.116 -1.84 @@ -10832,10 +10704,10 @@ S(6) 6.261e-02 H2(g) -34.14 -37.26 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -112.09 -120.01 -7.92 H2S + H2S(g) -112.08 -120.00 -7.92 H2S Mirabilite -3.28 -4.12 -0.84 Na2SO4:10H2O O2(g) -11.78 -14.74 -2.96 O2 - Sulfur -83.77 -79.11 4.66 S + Sulfur -83.76 -79.11 4.66 S Thenardite -3.76 -4.11 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10873,7 +10745,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.045 Charge balance - pe = -1.238 Adjusted to redox equilibrium + pe = -1.237 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 16554 Density (g/cm³) = 1.00407 Volume (L) = 1.00728 @@ -10881,10 +10753,10 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.760e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.182e-17 + Total alkalinity (eq/kg) = -1.239e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 0.000e+00 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -4.302e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 5.582679e+01 @@ -10897,19 +10769,18 @@ Reaction 1. OH- 3.243e-07 2.313e-07 -6.489 -6.636 -0.147 -3.25 H+ 1.126e-07 9.007e-08 -6.948 -7.045 -0.097 0.00 H2O 5.551e+01 9.965e-01 1.744 -0.002 0.000 18.12 -H(0) 2.995e-15 - H2 1.497e-15 1.559e-15 -14.825 -14.807 0.018 28.60 +H(0) 2.990e-15 + H2 1.495e-15 1.557e-15 -14.825 -14.808 0.018 28.60 Na 1.603e-01 Na+ 1.281e-01 9.611e-02 -0.892 -1.017 -0.125 -0.53 NaSO4- 3.220e-02 2.422e-02 -1.492 -1.616 -0.124 -0.52 - NaOH 2.135e-18 2.223e-18 -17.671 -17.653 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.664 -59.646 0.018 31.10 -S(-2) 1.494e-23 - HS- 1.059e-23 7.554e-24 -22.975 -23.122 -0.147 21.35 - H2S 4.351e-24 4.531e-24 -23.361 -23.344 0.018 38.44 - S-2 6.430e-29 1.965e-29 -28.192 -28.707 -0.515 (0) - (H2S)2 0.000e+00 0.000e+00 -47.882 -47.865 0.018 29.63 + O2 0.000e+00 0.000e+00 -59.663 -59.645 0.018 31.10 +S(-2) 1.485e-23 + HS- 1.053e-23 7.509e-24 -22.978 -23.124 -0.147 21.35 + H2S 4.325e-24 4.504e-24 -23.364 -23.346 0.018 38.44 + S-2 6.392e-29 1.954e-29 -28.194 -28.709 -0.515 (0) + (H2S)2 0.000e+00 0.000e+00 -47.888 -47.870 0.018 29.63 S(6) 8.014e-02 SO4-2 4.794e-02 1.442e-02 -1.319 -1.841 -0.522 28.30 NaSO4- 3.220e-02 2.422e-02 -1.492 -1.616 -0.124 -0.52 @@ -10924,7 +10795,7 @@ S(6) 8.014e-02 H2S(g) -22.25 -30.17 -7.92 H2S Mirabilite -3.05 -3.89 -0.84 Na2SO4:10H2O O2(g) -56.69 -59.65 -2.96 O2 - Sulfur -16.38 -11.73 4.66 S + Sulfur -16.39 -11.73 4.66 S Thenardite -3.53 -3.88 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10962,7 +10833,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.057 Charge balance - pe = -1.350 Adjusted to redox equilibrium + pe = -1.352 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 19931 Density (g/cm³) = 1.00651 Volume (L) = 1.00763 @@ -10970,9 +10841,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.130e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.550e-17 + Total alkalinity (eq/kg) = 3.617e-18 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.940e-11 + Electrical balance (eq) = 2.950e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10986,19 +10857,18 @@ Reaction 1. OH- 3.400e-07 2.372e-07 -6.469 -6.625 -0.156 -3.17 H+ 1.108e-07 8.777e-08 -6.956 -7.057 -0.101 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.12 -H(0) 4.733e-15 - H2 2.367e-15 2.486e-15 -14.626 -14.605 0.021 28.60 +H(0) 4.772e-15 + H2 2.386e-15 2.506e-15 -14.622 -14.601 0.021 28.60 Na 1.998e-01 Na+ 1.565e-01 1.159e-01 -0.806 -0.936 -0.130 -0.48 NaSO4- 4.335e-02 3.211e-02 -1.363 -1.493 -0.130 0.70 - NaOH 2.618e-18 2.749e-18 -17.582 -17.561 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.073 -60.052 0.021 31.10 -S(-2) 1.043e-22 - HS- 7.511e-23 5.241e-23 -22.124 -22.281 -0.156 21.39 - H2S 2.916e-23 3.063e-23 -22.535 -22.514 0.021 38.44 - S-2 4.897e-28 1.399e-28 -27.310 -27.854 -0.544 (0) - (H2S)2 0.000e+00 0.000e+00 -46.226 -46.205 0.021 29.63 + O2 0.000e+00 0.000e+00 -60.081 -60.059 0.021 31.10 +S(-2) 1.078e-22 + HS- 7.762e-23 5.416e-23 -22.110 -22.266 -0.156 21.39 + H2S 3.014e-23 3.165e-23 -22.521 -22.500 0.021 38.44 + S-2 5.061e-28 1.446e-28 -27.296 -27.840 -0.544 (0) + (H2S)2 0.000e+00 0.000e+00 -46.198 -46.176 0.021 29.63 S(6) 9.990e-02 SO4-2 5.656e-02 1.585e-02 -1.248 -1.800 -0.553 29.48 NaSO4- 4.335e-02 3.211e-02 -1.363 -1.493 -0.130 0.70 @@ -11010,10 +10880,10 @@ S(6) 9.990e-02 H2(g) -11.48 -14.60 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -21.42 -29.34 -7.92 H2S + H2S(g) -21.40 -29.32 -7.92 H2S Mirabilite -2.85 -3.69 -0.84 Na2SO4:10H2O - O2(g) -57.09 -60.05 -2.96 O2 - Sulfur -15.76 -11.10 4.66 S + O2(g) -57.10 -60.06 -2.96 O2 + Sulfur -15.75 -11.09 4.66 S Thenardite -3.32 -3.67 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11051,7 +10921,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.057 Charge balance - pe = -1.245 Adjusted to redox equilibrium + pe = -1.239 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 19948 Density (g/cm³) = 1.00652 Volume (L) = 1.00763 @@ -11059,9 +10929,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.132e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.933e-16 + Total alkalinity (eq/kg) = -4.309e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = -7.046e-10 + Electrical balance (eq) = -7.035e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11075,19 +10945,18 @@ Reaction 1. OH- 3.400e-07 2.372e-07 -6.468 -6.625 -0.156 -3.17 H+ 1.108e-07 8.776e-08 -6.956 -7.057 -0.101 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.12 -H(0) 2.914e-15 - H2 1.457e-15 1.530e-15 -14.837 -14.815 0.021 28.60 +H(0) 2.837e-15 + H2 1.419e-15 1.490e-15 -14.848 -14.827 0.021 28.60 Na 2.000e-01 Na+ 1.566e-01 1.160e-01 -0.805 -0.936 -0.130 -0.48 NaSO4- 4.340e-02 3.215e-02 -1.362 -1.493 -0.130 0.71 - NaOH 2.620e-18 2.752e-18 -17.582 -17.560 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.652 -59.631 0.021 31.10 -S(-2) 1.498e-23 - HS- 1.079e-23 7.527e-24 -22.967 -23.123 -0.156 21.39 - H2S 4.188e-24 4.399e-24 -23.378 -23.357 0.021 38.44 - S-2 7.037e-29 2.010e-29 -28.153 -28.697 -0.544 (0) - (H2S)2 0.000e+00 0.000e+00 -47.912 -47.891 0.021 29.63 + O2 0.000e+00 0.000e+00 -59.629 -59.608 0.021 31.10 +S(-2) 1.347e-23 + HS- 9.700e-24 6.768e-24 -23.013 -23.170 -0.156 21.39 + H2S 3.765e-24 3.955e-24 -23.424 -23.403 0.021 38.44 + S-2 6.327e-29 1.807e-29 -28.199 -28.743 -0.544 (0) + (H2S)2 0.000e+00 0.000e+00 -48.004 -47.983 0.021 29.63 S(6) 1.000e-01 SO4-2 5.660e-02 1.585e-02 -1.247 -1.800 -0.553 29.49 NaSO4- 4.340e-02 3.215e-02 -1.362 -1.493 -0.130 0.71 @@ -11097,12 +10966,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.69 -14.82 -3.12 H2 + H2(g) -11.71 -14.83 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -22.26 -30.18 -7.92 H2S + H2S(g) -22.31 -30.23 -7.92 H2S Mirabilite -2.85 -3.69 -0.84 Na2SO4:10H2O - O2(g) -56.67 -59.63 -2.96 O2 - Sulfur -16.39 -11.73 4.66 S + O2(g) -56.65 -59.61 -2.96 O2 + Sulfur -16.42 -11.77 4.66 S Thenardite -3.32 -3.67 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11140,7 +11009,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.057 Charge balance - pe = -1.295 Adjusted to redox equilibrium + pe = -1.290 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 19979 Density (g/cm³) = 1.00655 Volume (L) = 1.00764 @@ -11148,9 +11017,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.135e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.804e-17 + Total alkalinity (eq/kg) = -5.387e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = -4.969e-11 + Electrical balance (eq) = -5.700e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11164,19 +11033,18 @@ Reaction 1. OH- 3.402e-07 2.373e-07 -6.468 -6.625 -0.156 -3.17 H+ 1.107e-07 8.774e-08 -6.956 -7.057 -0.101 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.12 -H(0) 3.661e-15 - H2 1.830e-15 1.923e-15 -14.737 -14.716 0.021 28.60 +H(0) 3.585e-15 + H2 1.792e-15 1.883e-15 -14.747 -14.725 0.021 28.60 Na 2.004e-01 Na+ 1.569e-01 1.162e-01 -0.804 -0.935 -0.130 -0.48 NaSO4- 4.351e-02 3.222e-02 -1.361 -1.492 -0.130 0.72 - NaOH 2.625e-18 2.757e-18 -17.581 -17.560 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.850 -59.829 0.021 31.10 -S(-2) 3.736e-23 - HS- 2.692e-23 1.878e-23 -22.570 -22.726 -0.156 21.39 - H2S 1.044e-23 1.097e-23 -22.981 -22.960 0.021 38.44 - S-2 1.757e-28 5.015e-29 -27.755 -28.300 -0.544 (0) - (H2S)2 0.000e+00 0.000e+00 -47.118 -47.097 0.021 29.63 + O2 0.000e+00 0.000e+00 -59.832 -59.811 0.021 31.10 +S(-2) 3.436e-23 + HS- 2.476e-23 1.727e-23 -22.606 -22.763 -0.156 21.39 + H2S 9.605e-24 1.009e-23 -23.017 -22.996 0.021 38.44 + S-2 1.616e-28 4.612e-29 -27.792 -28.336 -0.544 (0) + (H2S)2 0.000e+00 0.000e+00 -47.191 -47.169 0.021 29.63 S(6) 1.002e-01 SO4-2 5.668e-02 1.586e-02 -1.247 -1.800 -0.553 29.50 NaSO4- 4.351e-02 3.222e-02 -1.361 -1.492 -0.130 0.72 @@ -11186,12 +11054,12 @@ S(6) 1.002e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.60 -14.72 -3.12 H2 + H2(g) -11.60 -14.73 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -21.86 -29.78 -7.92 H2S + H2S(g) -21.90 -29.82 -7.92 H2S Mirabilite -2.85 -3.69 -0.84 Na2SO4:10H2O - O2(g) -56.87 -59.83 -2.96 O2 - Sulfur -16.09 -11.44 4.66 S + O2(g) -56.85 -59.81 -2.96 O2 + Sulfur -16.12 -11.46 4.66 S Thenardite -3.32 -3.67 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11229,7 +11097,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.066 Charge balance - pe = 9.911 Adjusted to redox equilibrium + pe = 9.913 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 23586 Density (g/cm³) = 1.00925 Volume (L) = 1.00804 @@ -11237,9 +11105,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.534e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.992e-18 + Total alkalinity (eq/kg) = -1.267e-18 Temperature (°C) = 35.00 - Electrical balance (eq) = 6.287e-12 + Electrical balance (eq) = 7.197e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11253,19 +11121,18 @@ Reaction 1. OH- 3.546e-07 2.424e-07 -6.450 -6.616 -0.165 -3.08 H+ 1.092e-07 8.583e-08 -6.962 -7.066 -0.105 0.00 H2O 5.551e+01 9.947e-01 1.744 -0.002 0.000 18.12 -H(0) 1.344e-37 - H2 6.720e-38 7.124e-38 -37.173 -37.147 0.025 28.60 +H(0) 1.336e-37 + H2 6.678e-38 7.079e-38 -37.175 -37.150 0.025 28.60 Na 2.445e-01 Na+ 1.878e-01 1.377e-01 -0.726 -0.861 -0.135 -0.44 NaSO4- 5.669e-02 4.140e-02 -1.246 -1.383 -0.137 1.86 - NaOH 3.147e-18 3.336e-18 -17.502 -17.477 0.025 (0) -O(0) 2.033e-15 - O2 1.017e-15 1.078e-15 -14.993 -14.968 0.025 31.10 +O(0) 2.059e-15 + O2 1.029e-15 1.091e-15 -14.987 -14.962 0.025 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.259 -112.424 -0.165 21.43 - H2S 0.000e+00 0.000e+00 -112.692 -112.667 0.025 38.44 - S-2 0.000e+00 0.000e+00 -117.417 -117.988 -0.571 (0) - (H2S)2 0.000e+00 0.000e+00 -226.536 -226.511 0.025 29.63 + HS- 0.000e+00 0.000e+00 -112.270 -112.435 -0.165 21.43 + H2S 0.000e+00 0.000e+00 -112.703 -112.678 0.025 38.44 + S-2 0.000e+00 0.000e+00 -117.428 -117.999 -0.571 (0) + (H2S)2 0.000e+00 0.000e+00 -226.558 -226.533 0.025 29.63 S(6) 1.223e-01 SO4-2 6.557e-02 1.720e-02 -1.183 -1.764 -0.581 30.66 NaSO4- 5.669e-02 4.140e-02 -1.246 -1.383 -0.137 1.86 @@ -11277,10 +11144,10 @@ S(6) 1.223e-01 H2(g) -34.03 -37.15 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -111.57 -119.49 -7.92 H2S + H2S(g) -111.58 -119.50 -7.92 H2S Mirabilite -2.67 -3.51 -0.84 Na2SO4:10H2O - O2(g) -12.01 -14.97 -2.96 O2 - Sulfur -83.37 -78.71 4.66 S + O2(g) -12.00 -14.96 -2.96 O2 + Sulfur -83.38 -78.72 4.66 S Thenardite -3.14 -3.49 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11318,7 +11185,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.073 Charge balance - pe = 9.849 Adjusted to redox equilibrium + pe = 9.838 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 26384 Density (g/cm³) = 1.01142 Volume (L) = 1.00838 @@ -11326,9 +11193,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.846e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.452e-17 + Total alkalinity (eq/kg) = 5.544e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.005e-11 + Electrical balance (eq) = 2.144e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11342,19 +11209,18 @@ Reaction 1. OH- 3.644e-07 2.456e-07 -6.438 -6.610 -0.171 -3.02 H+ 1.083e-07 8.462e-08 -6.965 -7.073 -0.107 0.00 H2O 5.551e+01 9.940e-01 1.744 -0.003 0.000 18.12 -H(0) 1.729e-37 - H2 8.645e-38 9.231e-38 -37.063 -37.035 0.028 28.60 +H(0) 1.820e-37 + H2 9.098e-38 9.715e-38 -37.041 -37.013 0.028 28.60 Na 2.801e-01 Na+ 2.123e-01 1.546e-01 -0.673 -0.811 -0.138 -0.41 NaSO4- 6.775e-02 4.900e-02 -1.169 -1.310 -0.141 2.67 - NaOH 3.556e-18 3.797e-18 -17.449 -17.421 0.028 (0) -O(0) 1.201e-15 - O2 6.003e-16 6.409e-16 -15.222 -15.193 0.028 31.10 +O(0) 1.084e-15 + O2 5.420e-16 5.787e-16 -15.266 -15.238 0.028 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -111.784 -111.956 -0.171 21.46 - H2S 0.000e+00 0.000e+00 -112.233 -112.205 0.028 38.44 - S-2 0.000e+00 0.000e+00 -116.924 -117.513 -0.589 (0) - (H2S)2 0.000e+00 0.000e+00 -225.615 -225.587 0.028 29.63 + HS- 0.000e+00 0.000e+00 -111.696 -111.867 -0.171 21.46 + H2S 0.000e+00 0.000e+00 -112.145 -112.116 0.028 38.44 + S-2 0.000e+00 0.000e+00 -116.836 -117.425 -0.589 (0) + (H2S)2 0.000e+00 0.000e+00 -225.438 -225.410 0.028 29.63 S(6) 1.400e-01 SO4-2 7.228e-02 1.813e-02 -1.141 -1.742 -0.601 31.49 NaSO4- 6.775e-02 4.900e-02 -1.169 -1.310 -0.141 2.67 @@ -11364,12 +11230,12 @@ S(6) 1.400e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -33.91 -37.03 -3.12 H2 + H2(g) -33.89 -37.01 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -111.11 -119.03 -7.92 H2S + H2S(g) -111.02 -118.94 -7.92 H2S Mirabilite -2.55 -3.39 -0.84 Na2SO4:10H2O - O2(g) -12.24 -15.19 -2.96 O2 - Sulfur -83.02 -78.36 4.66 S + O2(g) -12.28 -15.24 -2.96 O2 + Sulfur -82.95 -78.30 4.66 S Thenardite -3.02 -3.36 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11407,7 +11273,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.078 Charge balance - pe = -1.458 Adjusted to redox equilibrium + pe = -1.466 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 29417 Density (g/cm³) = 1.01383 Volume (L) = 1.00877 @@ -11415,9 +11281,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.187e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.511e-17 + Total alkalinity (eq/kg) = -2.354e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 7.570e-13 + Electrical balance (eq) = 8.090e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11431,19 +11297,18 @@ Reaction 1. OH- 3.741e-07 2.486e-07 -6.427 -6.604 -0.177 -2.95 H+ 1.075e-07 8.353e-08 -6.969 -7.078 -0.109 0.00 H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.12 -H(0) 6.885e-15 - H2 3.442e-15 3.705e-15 -14.463 -14.431 0.032 28.60 +H(0) 7.116e-15 + H2 3.558e-15 3.829e-15 -14.449 -14.417 0.032 28.60 Na 3.198e-01 Na+ 2.393e-01 1.732e-01 -0.621 -0.761 -0.140 -0.37 NaSO4- 8.054e-02 5.771e-02 -1.094 -1.239 -0.145 3.47 - NaOH 4.002e-18 4.307e-18 -17.398 -17.366 0.032 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.433 -60.401 0.032 31.10 -S(-2) 6.042e-22 - HS- 4.497e-22 2.989e-22 -21.347 -21.524 -0.177 21.50 - H2S 1.545e-22 1.663e-22 -21.811 -21.779 0.032 38.44 - S-2 3.392e-27 8.385e-28 -26.470 -27.076 -0.607 (0) - (H2S)2 0.000e+00 0.000e+00 -44.768 -44.736 0.032 29.63 + O2 0.000e+00 0.000e+00 -60.461 -60.430 0.032 31.10 +S(-2) 6.896e-22 + HS- 5.133e-22 3.412e-22 -21.290 -21.467 -0.177 21.50 + H2S 1.763e-22 1.898e-22 -21.754 -21.722 0.032 38.44 + S-2 3.871e-27 9.571e-28 -26.412 -27.019 -0.607 (0) + (H2S)2 0.000e+00 0.000e+00 -44.653 -44.621 0.032 29.63 S(6) 1.599e-01 NaSO4- 8.054e-02 5.771e-02 -1.094 -1.239 -0.145 3.47 SO4-2 7.938e-02 1.906e-02 -1.100 -1.720 -0.620 32.35 @@ -11453,12 +11318,12 @@ S(6) 1.599e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.31 -14.43 -3.12 H2 + H2(g) -11.30 -14.42 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -20.68 -28.60 -7.92 H2S + H2S(g) -20.62 -28.55 -7.92 H2S Mirabilite -2.43 -3.27 -0.84 Na2SO4:10H2O - O2(g) -57.44 -60.40 -2.96 O2 - Sulfur -15.20 -10.54 4.66 S + O2(g) -57.47 -60.43 -2.96 O2 + Sulfur -15.15 -10.50 4.66 S Thenardite -2.89 -3.24 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11496,7 +11361,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.079 Charge balance - pe = 9.865 Adjusted to redox equilibrium + pe = 9.879 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 29982 Density (g/cm³) = 1.01429 Volume (L) = 1.00884 @@ -11504,9 +11369,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.251e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.214e-17 + Total alkalinity (eq/kg) = 5.445e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 3.716e-12 + Electrical balance (eq) = 2.450e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11520,19 +11385,18 @@ Reaction 1. OH- 3.758e-07 2.491e-07 -6.425 -6.604 -0.178 -2.93 H+ 1.073e-07 8.335e-08 -6.969 -7.079 -0.110 0.00 H2O 5.551e+01 9.931e-01 1.744 -0.003 0.000 18.12 -H(0) 1.544e-37 - H2 7.722e-38 8.322e-38 -37.112 -37.080 0.033 28.60 +H(0) 1.449e-37 + H2 7.246e-38 7.809e-38 -37.140 -37.107 0.033 28.60 Na 3.274e-01 Na+ 2.444e-01 1.767e-01 -0.612 -0.753 -0.141 -0.37 NaSO4- 8.301e-02 5.939e-02 -1.081 -1.226 -0.145 3.61 - NaOH 4.085e-18 4.403e-18 -17.389 -17.356 0.033 (0) -O(0) 1.460e-15 - O2 7.302e-16 7.870e-16 -15.137 -15.104 0.033 31.10 +O(0) 1.659e-15 + O2 8.295e-16 8.939e-16 -15.081 -15.049 0.033 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -111.937 -112.115 -0.178 21.50 - H2S 0.000e+00 0.000e+00 -112.404 -112.371 0.033 38.44 - S-2 0.000e+00 0.000e+00 -117.056 -117.666 -0.610 (0) - (H2S)2 0.000e+00 0.000e+00 -225.952 -225.919 0.033 29.63 + HS- 0.000e+00 0.000e+00 -112.048 -112.226 -0.178 21.50 + H2S 0.000e+00 0.000e+00 -112.514 -112.482 0.033 38.44 + S-2 0.000e+00 0.000e+00 -117.167 -117.777 -0.610 (0) + (H2S)2 0.000e+00 0.000e+00 -226.173 -226.141 0.033 29.63 S(6) 1.637e-01 NaSO4- 8.301e-02 5.939e-02 -1.081 -1.226 -0.145 3.61 SO4-2 8.069e-02 1.922e-02 -1.093 -1.716 -0.623 32.51 @@ -11542,12 +11406,12 @@ S(6) 1.637e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -33.96 -37.08 -3.12 H2 + H2(g) -33.99 -37.11 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -111.27 -119.19 -7.92 H2S + H2S(g) -111.38 -119.31 -7.92 H2S Mirabilite -2.41 -3.25 -0.84 Na2SO4:10H2O - O2(g) -12.15 -15.10 -2.96 O2 - Sulfur -83.14 -78.48 4.66 S + O2(g) -12.09 -15.05 -2.96 O2 + Sulfur -83.22 -78.57 4.66 S Thenardite -2.87 -3.22 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11585,7 +11449,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.079 Charge balance - pe = -1.417 Adjusted to redox equilibrium + pe = -1.426 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 29986 Density (g/cm³) = 1.01429 Volume (L) = 1.00884 @@ -11593,9 +11457,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.251e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.174e-17 + Total alkalinity (eq/kg) = 3.304e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 1.068e-12 + Electrical balance (eq) = 1.053e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11609,19 +11473,18 @@ Reaction 1. OH- 3.758e-07 2.491e-07 -6.425 -6.604 -0.178 -2.93 H+ 1.073e-07 8.335e-08 -6.969 -7.079 -0.110 0.00 H2O 5.551e+01 9.931e-01 1.744 -0.003 0.000 18.12 -H(0) 5.659e-15 - H2 2.829e-15 3.049e-15 -14.548 -14.516 0.033 28.60 +H(0) 5.884e-15 + H2 2.942e-15 3.171e-15 -14.531 -14.499 0.033 28.60 Na 3.275e-01 Na+ 2.444e-01 1.768e-01 -0.612 -0.753 -0.141 -0.37 NaSO4- 8.303e-02 5.940e-02 -1.081 -1.226 -0.145 3.61 - NaOH 4.086e-18 4.404e-18 -17.389 -17.356 0.033 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.264 -60.232 0.033 31.10 -S(-2) 2.795e-22 - HS- 2.084e-22 1.382e-22 -21.681 -21.860 -0.178 21.50 - H2S 7.115e-23 7.668e-23 -22.148 -22.115 0.033 38.44 - S-2 1.583e-27 3.884e-28 -26.801 -27.411 -0.610 (0) - (H2S)2 0.000e+00 0.000e+00 -45.440 -45.408 0.033 29.63 + O2 0.000e+00 0.000e+00 -60.298 -60.266 0.033 31.10 +S(-2) 3.269e-22 + HS- 2.437e-22 1.616e-22 -21.613 -21.792 -0.178 21.50 + H2S 8.320e-23 8.967e-23 -22.080 -22.047 0.033 38.44 + S-2 1.851e-27 4.543e-28 -26.733 -27.343 -0.610 (0) + (H2S)2 0.000e+00 0.000e+00 -45.304 -45.272 0.033 29.63 S(6) 1.637e-01 NaSO4- 8.303e-02 5.940e-02 -1.081 -1.226 -0.145 3.61 SO4-2 8.070e-02 1.922e-02 -1.093 -1.716 -0.623 32.51 @@ -11631,12 +11494,12 @@ S(6) 1.637e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.40 -14.52 -3.12 H2 + H2(g) -11.38 -14.50 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -21.02 -28.94 -7.92 H2S + H2S(g) -20.95 -28.87 -7.92 H2S Mirabilite -2.41 -3.25 -0.84 Na2SO4:10H2O - O2(g) -57.27 -60.23 -2.96 O2 - Sulfur -15.45 -10.79 4.66 S + O2(g) -57.31 -60.27 -2.96 O2 + Sulfur -15.40 -10.74 4.66 S Thenardite -2.87 -3.22 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11674,7 +11537,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.083 Charge balance - pe = -1.335 Adjusted to redox equilibrium + pe = -1.328 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 32408 Density (g/cm³) = 1.01627 Volume (L) = 1.00917 @@ -11682,9 +11545,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.526e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.330e-17 + Total alkalinity (eq/kg) = 8.982e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.895e-12 + Electrical balance (eq) = 2.776e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11698,19 +11561,18 @@ Reaction 1. OH- 3.826e-07 2.511e-07 -6.417 -6.600 -0.183 -2.88 H+ 1.068e-07 8.263e-08 -6.971 -7.083 -0.112 0.00 H2O 5.551e+01 9.924e-01 1.744 -0.003 0.000 18.12 -H(0) 3.780e-15 - H2 1.890e-15 2.050e-15 -14.724 -14.688 0.035 28.60 +H(0) 3.660e-15 + H2 1.830e-15 1.985e-15 -14.738 -14.702 0.035 28.60 Na 3.603e-01 Na+ 2.664e-01 1.919e-01 -0.574 -0.717 -0.142 -0.34 NaSO4- 9.394e-02 6.675e-02 -1.027 -1.176 -0.148 4.20 - NaOH 4.444e-18 4.820e-18 -17.352 -17.317 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.923 -59.887 0.035 31.10 -S(-2) 5.893e-23 - HS- 4.421e-23 2.902e-23 -22.354 -22.537 -0.183 21.53 - H2S 1.472e-23 1.597e-23 -22.832 -22.797 0.035 38.44 - S-2 3.453e-28 8.230e-29 -27.462 -28.085 -0.623 (0) - (H2S)2 0.000e+00 0.000e+00 -46.806 -46.771 0.035 29.63 + O2 0.000e+00 0.000e+00 -59.895 -59.860 0.035 31.10 +S(-2) 5.182e-23 + HS- 3.887e-23 2.552e-23 -22.410 -22.593 -0.183 21.53 + H2S 1.294e-23 1.404e-23 -22.888 -22.853 0.035 38.44 + S-2 3.036e-28 7.236e-29 -27.518 -28.141 -0.623 (0) + (H2S)2 0.000e+00 0.000e+00 -46.918 -46.883 0.035 29.63 S(6) 1.802e-01 NaSO4- 9.394e-02 6.675e-02 -1.027 -1.176 -0.148 4.20 SO4-2 8.623e-02 1.989e-02 -1.064 -1.701 -0.637 33.16 @@ -11720,12 +11582,12 @@ S(6) 1.802e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.57 -14.69 -3.12 H2 + H2(g) -11.58 -14.70 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -21.70 -29.62 -7.92 H2S + H2S(g) -21.75 -29.68 -7.92 H2S Mirabilite -2.33 -3.17 -0.84 Na2SO4:10H2O - O2(g) -56.93 -59.89 -2.96 O2 - Sulfur -15.96 -11.30 4.66 S + O2(g) -56.90 -59.86 -2.96 O2 + Sulfur -16.00 -11.34 4.66 S Thenardite -2.79 -3.13 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11763,7 +11625,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.087 Charge balance - pe = 9.926 Adjusted to redox equilibrium + pe = 9.933 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 35598 Density (g/cm³) = 1.01894 Volume (L) = 1.00963 @@ -11771,9 +11633,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.892e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.296e-17 + Total alkalinity (eq/kg) = 3.836e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = -2.062e-14 + Electrical balance (eq) = -2.151e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11787,19 +11649,18 @@ Reaction 1. OH- 3.909e-07 2.534e-07 -6.408 -6.596 -0.188 -2.81 H+ 1.063e-07 8.182e-08 -6.974 -7.087 -0.114 0.00 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 18.12 -H(0) 1.109e-37 - H2 5.544e-38 6.064e-38 -37.256 -37.217 0.039 28.60 +H(0) 1.071e-37 + H2 5.356e-38 5.858e-38 -37.271 -37.232 0.039 28.60 Na 4.049e-01 Na+ 2.958e-01 2.123e-01 -0.529 -0.673 -0.144 -0.31 NaSO4- 1.091e-01 7.688e-02 -0.962 -1.114 -0.152 4.94 - NaOH 4.918e-18 5.379e-18 -17.308 -17.269 0.039 (0) -O(0) 2.702e-15 - O2 1.351e-15 1.478e-15 -14.869 -14.830 0.039 31.10 +O(0) 2.896e-15 + O2 1.448e-15 1.584e-15 -14.839 -14.800 0.039 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.450 -112.638 -0.188 21.56 - H2S 0.000e+00 0.000e+00 -112.941 -112.902 0.039 38.44 - S-2 0.000e+00 0.000e+00 -117.543 -118.181 -0.638 (0) - (H2S)2 0.000e+00 0.000e+00 -227.020 -226.981 0.039 29.63 + HS- 0.000e+00 0.000e+00 -112.510 -112.698 -0.188 21.56 + H2S 0.000e+00 0.000e+00 -113.001 -112.962 0.039 38.44 + S-2 0.000e+00 0.000e+00 -117.603 -118.241 -0.638 (0) + (H2S)2 0.000e+00 0.000e+00 -227.140 -227.101 0.039 29.63 S(6) 2.024e-01 NaSO4- 1.091e-01 7.688e-02 -0.962 -1.114 -0.152 4.94 SO4-2 9.337e-02 2.072e-02 -1.030 -1.684 -0.654 33.98 @@ -11809,12 +11670,12 @@ S(6) 2.024e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.10 -37.22 -3.12 H2 + H2(g) -34.11 -37.23 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O - H2S(g) -111.80 -119.73 -7.92 H2S + H2S(g) -111.86 -119.79 -7.92 H2S Mirabilite -2.22 -3.07 -0.84 Na2SO4:10H2O - O2(g) -11.87 -14.83 -2.96 O2 - Sulfur -83.53 -78.88 4.66 S + O2(g) -11.84 -14.80 -2.96 O2 + Sulfur -83.58 -78.92 4.66 S Thenardite -2.68 -3.03 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11852,7 +11713,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.099 Charge balance - pe = -1.437 Adjusted to redox equilibrium + pe = -1.455 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 48770 Density (g/cm³) = 1.03072 Volume (L) = 1.01179 @@ -11860,9 +11721,9 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 5.444e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.176e-17 + Total alkalinity (eq/kg) = 5.620e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 7.022e-15 + Electrical balance (eq) = 8.438e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11876,19 +11737,18 @@ Reaction 1. OH- 4.173e-07 2.592e-07 -6.380 -6.586 -0.207 -2.52 H+ 1.051e-07 7.969e-08 -6.979 -7.099 -0.120 0.00 H2O 5.551e+01 9.877e-01 1.744 -0.005 0.000 18.12 -H(0) 5.396e-15 - H2 2.698e-15 3.058e-15 -14.569 -14.515 0.054 28.60 +H(0) 5.845e-15 + H2 2.923e-15 3.313e-15 -14.534 -14.480 0.054 28.60 Na 6.036e-01 Na+ 4.231e-01 3.013e-01 -0.374 -0.521 -0.148 -0.20 NaSO4- 1.805e-01 1.238e-01 -0.743 -0.907 -0.164 7.56 - NaOH 6.889e-18 7.809e-18 -17.162 -17.107 0.054 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.294 -60.239 0.054 31.10 -S(-2) 3.471e-22 - HS- 2.689e-22 1.670e-22 -21.570 -21.777 -0.207 21.67 - H2S 7.818e-23 8.862e-23 -22.107 -22.052 0.054 38.44 - S-2 2.410e-27 4.911e-28 -26.618 -27.309 -0.691 (0) - (H2S)2 0.000e+00 0.000e+00 -45.337 -45.282 0.054 29.63 + O2 0.000e+00 0.000e+00 -60.363 -60.309 0.054 31.10 +S(-2) 4.781e-22 + HS- 3.704e-22 2.301e-22 -21.431 -21.638 -0.207 21.67 + H2S 1.077e-22 1.221e-22 -21.968 -21.913 0.054 38.44 + S-2 3.320e-27 6.765e-28 -26.479 -27.170 -0.691 (0) + (H2S)2 0.000e+00 0.000e+00 -45.058 -45.004 0.054 29.63 S(6) 3.018e-01 NaSO4- 1.805e-01 1.238e-01 -0.743 -0.907 -0.164 7.56 SO4-2 1.213e-01 2.351e-02 -0.916 -1.629 -0.713 37.08 @@ -11898,12 +11758,12 @@ S(6) 3.018e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.39 -14.51 -3.12 H2 + H2(g) -11.36 -14.48 -3.12 H2 H2O(g) -1.26 -0.01 1.26 H2O - H2S(g) -20.95 -28.88 -7.92 H2S + H2S(g) -20.82 -28.74 -7.92 H2S Mirabilite -1.88 -2.72 -0.84 Na2SO4:10H2O - O2(g) -57.28 -60.24 -2.96 O2 - Sulfur -15.39 -10.73 4.66 S + O2(g) -57.35 -60.31 -2.96 O2 + Sulfur -15.28 -10.63 4.66 S Thenardite -2.32 -2.67 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11941,7 +11801,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.101 Charge balance - pe = -1.431 Adjusted to redox equilibrium + pe = -1.449 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 52605 Density (g/cm³) = 1.03438 Volume (L) = 1.01251 @@ -11949,9 +11809,9 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 5.912e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.405e-17 + Total alkalinity (eq/kg) = 3.500e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = -3.075e-14 + Electrical balance (eq) = -3.120e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11965,19 +11825,18 @@ Reaction 1. OH- 4.231e-07 2.600e-07 -6.374 -6.585 -0.211 -2.44 H+ 1.049e-07 7.933e-08 -6.979 -7.101 -0.122 0.00 H2O 5.551e+01 9.865e-01 1.744 -0.006 0.000 18.12 -H(0) 5.149e-15 - H2 2.575e-15 2.950e-15 -14.589 -14.530 0.059 28.60 +H(0) 5.583e-15 + H2 2.792e-15 3.199e-15 -14.554 -14.495 0.059 28.60 Na 6.661e-01 Na+ 4.621e-01 3.289e-01 -0.335 -0.483 -0.148 -0.16 NaSO4- 2.040e-01 1.390e-01 -0.690 -0.857 -0.167 8.24 - NaOH 7.465e-18 8.553e-18 -17.127 -17.068 0.059 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.268 -60.209 0.059 31.10 -S(-2) 3.107e-22 - HS- 2.421e-22 1.488e-22 -21.616 -21.827 -0.211 21.71 - H2S 6.859e-23 7.859e-23 -22.164 -22.105 0.059 38.44 - S-2 2.222e-27 4.395e-28 -26.653 -27.357 -0.704 (0) - (H2S)2 0.000e+00 0.000e+00 -45.446 -45.386 0.059 29.63 + O2 0.000e+00 0.000e+00 -60.338 -60.279 0.059 31.10 +S(-2) 4.295e-22 + HS- 3.347e-22 2.057e-22 -21.475 -21.687 -0.211 21.71 + H2S 9.483e-23 1.087e-22 -22.023 -21.964 0.059 38.44 + S-2 3.071e-27 6.076e-28 -26.513 -27.216 -0.704 (0) + (H2S)2 0.000e+00 0.000e+00 -45.164 -45.105 0.059 29.63 S(6) 3.331e-01 NaSO4- 2.040e-01 1.390e-01 -0.690 -0.857 -0.167 8.24 SO4-2 1.290e-01 2.417e-02 -0.889 -1.617 -0.727 37.91 @@ -11987,12 +11846,12 @@ S(6) 3.331e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.41 -14.53 -3.12 H2 + H2(g) -11.37 -14.50 -3.12 H2 H2O(g) -1.26 -0.01 1.26 H2O - H2S(g) -21.01 -28.93 -7.92 H2S + H2S(g) -20.87 -28.79 -7.92 H2S Mirabilite -1.80 -2.64 -0.84 Na2SO4:10H2O - O2(g) -57.25 -60.21 -2.96 O2 - Sulfur -15.42 -10.77 4.66 S + O2(g) -57.32 -60.28 -2.96 O2 + Sulfur -15.32 -10.66 4.66 S Thenardite -2.23 -2.58 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12030,7 +11889,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.101 Charge balance - pe = 9.802 Adjusted to redox equilibrium + pe = 9.834 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 52795 Density (g/cm³) = 1.03456 Volume (L) = 1.01254 @@ -12038,9 +11897,9 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 5.935e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.875e-17 + Total alkalinity (eq/kg) = 9.641e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 5.090e-14 + Electrical balance (eq) = 8.149e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12054,19 +11913,18 @@ Reaction 1. OH- 4.234e-07 2.601e-07 -6.373 -6.585 -0.212 -2.43 H+ 1.049e-07 7.931e-08 -6.979 -7.101 -0.122 0.00 H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.12 -H(0) 1.757e-37 - H2 8.783e-38 1.007e-37 -37.056 -36.997 0.059 28.60 +H(0) 1.514e-37 + H2 7.570e-38 8.679e-38 -37.121 -37.062 0.059 28.60 Na 6.693e-01 Na+ 4.641e-01 3.303e-01 -0.333 -0.481 -0.148 -0.16 NaSO4- 2.052e-01 1.398e-01 -0.688 -0.855 -0.167 8.27 - NaOH 7.493e-18 8.591e-18 -17.125 -17.066 0.059 (0) -O(0) 9.254e-16 - O2 4.627e-16 5.304e-16 -15.335 -15.275 0.059 31.10 +O(0) 1.246e-15 + O2 6.228e-16 7.141e-16 -15.206 -15.146 0.059 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -111.482 -111.694 -0.212 21.71 - H2S 0.000e+00 0.000e+00 -112.031 -111.971 0.059 38.44 - S-2 0.000e+00 0.000e+00 -116.519 -117.224 -0.704 (0) - (H2S)2 0.000e+00 0.000e+00 -225.179 -225.120 0.059 29.63 + HS- 0.000e+00 0.000e+00 -111.741 -111.952 -0.212 21.71 + H2S 0.000e+00 0.000e+00 -112.289 -112.230 0.059 38.44 + S-2 0.000e+00 0.000e+00 -116.778 -117.482 -0.704 (0) + (H2S)2 0.000e+00 0.000e+00 -225.696 -225.636 0.059 29.63 S(6) 3.346e-01 NaSO4- 2.052e-01 1.398e-01 -0.688 -0.855 -0.167 8.27 SO4-2 1.294e-01 2.421e-02 -0.888 -1.616 -0.728 37.96 @@ -12076,12 +11934,12 @@ S(6) 3.346e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -33.88 -37.00 -3.12 H2 + H2(g) -33.94 -37.06 -3.12 H2 H2O(g) -1.26 -0.01 1.26 H2O - H2S(g) -110.87 -118.79 -7.92 H2S + H2S(g) -111.13 -119.05 -7.92 H2S Mirabilite -1.80 -2.64 -0.84 Na2SO4:10H2O - O2(g) -12.32 -15.28 -2.96 O2 - Sulfur -82.82 -78.17 4.66 S + O2(g) -12.19 -15.15 -2.96 O2 + Sulfur -83.02 -78.36 4.66 S Thenardite -2.23 -2.58 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12119,7 +11977,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.103 Charge balance - pe = 9.907 Adjusted to redox equilibrium + pe = 9.903 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 60801 Density (g/cm³) = 1.04254 Volume (L) = 1.01418 @@ -12127,9 +11985,9 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.937e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.375e-17 + Total alkalinity (eq/kg) = 3.961e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = -3.092e-14 + Electrical balance (eq) = -6.495e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12143,19 +12001,18 @@ Reaction 1. OH- 4.333e-07 2.609e-07 -6.363 -6.584 -0.220 -2.26 H+ 1.050e-07 7.885e-08 -6.979 -7.103 -0.124 0.00 H2O 5.551e+01 9.838e-01 1.744 -0.007 0.000 18.12 -H(0) 1.045e-37 - H2 5.226e-38 6.131e-38 -37.282 -37.213 0.069 28.60 +H(0) 1.066e-37 + H2 5.330e-38 6.253e-38 -37.273 -37.204 0.069 28.60 Na 8.071e-01 Na+ 5.486e-01 3.911e-01 -0.261 -0.408 -0.147 -0.10 NaSO4- 2.585e-01 1.739e-01 -0.588 -0.760 -0.172 9.59 - NaOH 8.698e-18 1.020e-17 -17.061 -16.991 0.069 (0) -O(0) 2.427e-15 - O2 1.213e-15 1.423e-15 -14.916 -14.847 0.069 31.10 +O(0) 2.332e-15 + O2 1.166e-15 1.368e-15 -14.933 -14.864 0.069 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.312 -112.533 -0.220 21.77 - H2S 0.000e+00 0.000e+00 -112.882 -112.812 0.069 38.44 - S-2 0.000e+00 0.000e+00 -117.331 -118.060 -0.728 (0) - (H2S)2 0.000e+00 0.000e+00 -226.871 -226.802 0.069 29.63 + HS- 0.000e+00 0.000e+00 -112.278 -112.498 -0.220 21.77 + H2S 0.000e+00 0.000e+00 -112.847 -112.778 0.069 38.44 + S-2 0.000e+00 0.000e+00 -117.297 -118.025 -0.728 (0) + (H2S)2 0.000e+00 0.000e+00 -226.803 -226.733 0.069 29.63 S(6) 4.036e-01 NaSO4- 2.585e-01 1.739e-01 -0.588 -0.760 -0.172 9.59 SO4-2 1.451e-01 2.543e-02 -0.838 -1.595 -0.756 39.63 @@ -12165,12 +12022,12 @@ S(6) 4.036e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.09 -37.21 -3.12 H2 + H2(g) -34.08 -37.20 -3.12 H2 H2O(g) -1.26 -0.01 1.26 H2O - H2S(g) -111.71 -119.64 -7.92 H2S + H2S(g) -111.68 -119.60 -7.92 H2S Mirabilite -1.64 -2.48 -0.84 Na2SO4:10H2O - O2(g) -11.89 -14.85 -2.96 O2 - Sulfur -83.45 -78.79 4.66 S + O2(g) -11.91 -14.86 -2.96 O2 + Sulfur -83.42 -78.77 4.66 S Thenardite -2.06 -2.41 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12208,7 +12065,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.104 Charge balance - pe = 9.944 Adjusted to redox equilibrium + pe = 9.952 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 66904 Density (g/cm³) = 1.04895 Volume (L) = 1.01556 @@ -12216,9 +12073,9 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 7.727e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.016e-16 + Total alkalinity (eq/kg) = 4.490e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.141e-13 + Electrical balance (eq) = 2.198e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12232,19 +12089,18 @@ Reaction 1. OH- 4.393e-07 2.608e-07 -6.357 -6.584 -0.226 -2.13 H+ 1.053e-07 7.871e-08 -6.978 -7.104 -0.126 0.00 H2O 5.551e+01 9.817e-01 1.744 -0.008 0.000 18.12 -H(0) 8.639e-38 - H2 4.319e-38 5.161e-38 -37.365 -37.287 0.077 28.60 +H(0) 8.322e-38 + H2 4.161e-38 4.971e-38 -37.381 -37.304 0.077 28.60 Na 9.191e-01 Na+ 6.161e-01 4.406e-01 -0.210 -0.356 -0.146 -0.06 NaSO4- 3.030e-01 2.021e-01 -0.519 -0.694 -0.176 10.53 - NaOH 9.618e-18 1.149e-17 -17.017 -16.940 0.077 (0) -O(0) 3.349e-15 - O2 1.674e-15 2.000e-15 -14.776 -14.699 0.077 31.10 +O(0) 3.609e-15 + O2 1.804e-15 2.156e-15 -14.744 -14.666 0.077 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.589 -112.815 -0.226 21.82 - H2S 0.000e+00 0.000e+00 -113.173 -113.096 0.077 38.44 - S-2 0.000e+00 0.000e+00 -117.597 -118.342 -0.745 (0) - (H2S)2 0.000e+00 0.000e+00 -227.446 -227.369 0.077 29.63 + HS- 0.000e+00 0.000e+00 -112.654 -112.880 -0.226 21.82 + H2S 0.000e+00 0.000e+00 -113.238 -113.161 0.077 38.44 + S-2 0.000e+00 0.000e+00 -117.662 -118.407 -0.745 (0) + (H2S)2 0.000e+00 0.000e+00 -227.576 -227.499 0.077 29.63 S(6) 4.595e-01 NaSO4- 3.030e-01 2.021e-01 -0.519 -0.694 -0.176 10.53 SO4-2 1.566e-01 2.624e-02 -0.805 -1.581 -0.776 40.86 @@ -12254,12 +12110,12 @@ S(6) 4.595e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.17 -37.29 -3.12 H2 + H2(g) -34.18 -37.30 -3.12 H2 H2O(g) -1.26 -0.01 1.26 H2O - H2S(g) -112.00 -119.92 -7.92 H2S + H2S(g) -112.06 -119.98 -7.92 H2S Mirabilite -1.53 -2.37 -0.84 Na2SO4:10H2O - O2(g) -11.74 -14.70 -2.96 O2 - Sulfur -83.66 -79.00 4.66 S + O2(g) -11.71 -14.67 -2.96 O2 + Sulfur -83.71 -79.05 4.66 S Thenardite -1.94 -2.29 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12267,6 +12123,12 @@ S(6) 4.595e-01 Reaction step 24. +WARNING: Maximum iterations exceeded, 100 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying smaller step size, pe step size 10, 5 ... + Using solution 1. Using temperature 1. Using pressure 1. @@ -12297,7 +12159,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.104 Charge balance - pe = 9.416 Adjusted to redox equilibrium + pe = 9.527 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 71114 Density (g/cm³) = 1.05355 Volume (L) = 1.01658 @@ -12305,11 +12167,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.287e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.618e-16 + Total alkalinity (eq/kg) = 7.255e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = 3.653e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Electrical balance (eq) = -1.713e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 (121 overall) Total H = 1.110124e+02 Total O = 5.750622e+01 @@ -12321,19 +12183,18 @@ Reaction 1. OH- 4.426e-07 2.604e-07 -6.354 -6.584 -0.230 -2.03 H+ 1.056e-07 7.871e-08 -6.976 -7.104 -0.128 0.00 H2O 5.551e+01 9.802e-01 1.744 -0.009 0.000 18.12 -H(0) 9.681e-37 - H2 4.840e-37 5.858e-37 -36.315 -36.232 0.083 28.60 +H(0) 5.825e-37 + H2 2.912e-37 3.525e-37 -36.536 -36.453 0.083 28.60 Na 1.000e+00 Na+ 6.643e-01 4.765e-01 -0.178 -0.322 -0.144 -0.02 NaSO4- 3.357e-01 2.227e-01 -0.474 -0.652 -0.178 11.15 - NaOH 1.025e-17 1.241e-17 -16.989 -16.906 0.083 (0) -O(0) 2.558e-17 - O2 1.279e-17 1.548e-17 -16.893 -16.810 0.083 31.10 +O(0) 7.065e-17 + O2 3.532e-17 4.275e-17 -16.452 -16.369 0.083 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -108.354 -108.584 -0.230 21.85 - H2S 0.000e+00 0.000e+00 -108.948 -108.865 0.083 38.44 - S-2 0.000e+00 0.000e+00 -113.355 -114.111 -0.755 (0) - (H2S)2 0.000e+00 0.000e+00 -218.990 -218.907 0.083 29.63 + HS- 0.000e+00 0.000e+00 -109.237 -109.467 -0.230 21.85 + H2S 0.000e+00 0.000e+00 -109.830 -109.747 0.083 38.44 + S-2 0.000e+00 0.000e+00 -114.238 -114.993 -0.755 (0) + (H2S)2 0.000e+00 0.000e+00 -220.755 -220.672 0.083 29.63 S(6) 5.000e-01 NaSO4- 3.357e-01 2.227e-01 -0.474 -0.652 -0.178 11.15 SO4-2 1.643e-01 2.674e-02 -0.784 -1.573 -0.789 41.69 @@ -12343,12 +12204,12 @@ S(6) 5.000e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -33.11 -36.23 -3.12 H2 + H2(g) -33.33 -36.45 -3.12 H2 H2O(g) -1.26 -0.01 1.26 H2O - H2S(g) -107.77 -115.69 -7.92 H2S + H2S(g) -108.65 -116.57 -7.92 H2S Mirabilite -1.46 -2.30 -0.84 Na2SO4:10H2O - O2(g) -13.85 -16.81 -2.96 O2 - Sulfur -80.48 -75.82 4.66 S + O2(g) -13.41 -16.37 -2.96 O2 + Sulfur -81.14 -76.49 4.66 S Thenardite -1.87 -2.22 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12386,7 +12247,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.104 Charge balance - pe = -1.402 Adjusted to redox equilibrium + pe = -1.413 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 71326 Density (g/cm³) = 1.05378 Volume (L) = 1.01664 @@ -12394,9 +12255,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.315e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.402e-17 + Total alkalinity (eq/kg) = -1.751e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = 8.697e-13 + Electrical balance (eq) = 8.052e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12410,19 +12271,18 @@ Reaction 1. OH- 4.428e-07 2.604e-07 -6.354 -6.584 -0.231 -2.03 H+ 1.056e-07 7.871e-08 -6.976 -7.104 -0.128 0.00 H2O 5.551e+01 9.801e-01 1.744 -0.009 0.000 18.12 -H(0) 4.179e-15 - H2 2.090e-15 2.531e-15 -14.680 -14.597 0.083 28.60 +H(0) 4.413e-15 + H2 2.206e-15 2.672e-15 -14.656 -14.573 0.083 28.60 Na 1.004e+00 Na+ 6.668e-01 4.783e-01 -0.176 -0.320 -0.144 -0.02 NaSO4- 3.374e-01 2.238e-01 -0.472 -0.650 -0.178 11.18 - NaOH 1.028e-17 1.245e-17 -16.988 -16.905 0.083 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.165 -60.081 0.083 31.10 -S(-2) 1.937e-22 - HS- 1.544e-22 9.081e-23 -21.811 -22.042 -0.231 21.85 - H2S 3.930e-23 4.759e-23 -22.406 -22.322 0.083 38.44 - S-2 1.541e-27 2.704e-28 -26.812 -27.568 -0.756 (0) - (H2S)2 0.000e+00 0.000e+00 -45.905 -45.822 0.083 29.63 + O2 0.000e+00 0.000e+00 -60.212 -60.129 0.083 31.10 +S(-2) 2.408e-22 + HS- 1.919e-22 1.129e-22 -21.717 -21.947 -0.231 21.85 + H2S 4.885e-23 5.915e-23 -22.311 -22.228 0.083 38.44 + S-2 1.916e-27 3.360e-28 -26.718 -27.474 -0.756 (0) + (H2S)2 0.000e+00 0.000e+00 -45.716 -45.633 0.083 29.63 S(6) 5.021e-01 NaSO4- 3.374e-01 2.238e-01 -0.472 -0.650 -0.178 11.18 SO4-2 1.647e-01 2.676e-02 -0.783 -1.572 -0.789 41.73 @@ -12432,12 +12292,12 @@ S(6) 5.021e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.48 -14.60 -3.12 H2 + H2(g) -11.45 -14.57 -3.12 H2 H2O(g) -1.26 -0.01 1.26 H2O - H2S(g) -21.22 -29.15 -7.92 H2S + H2S(g) -21.13 -29.05 -7.92 H2S Mirabilite -1.46 -2.30 -0.84 Na2SO4:10H2O - O2(g) -57.12 -60.08 -2.96 O2 - Sulfur -15.57 -10.92 4.66 S + O2(g) -57.17 -60.13 -2.96 O2 + Sulfur -15.50 -10.85 4.66 S Thenardite -1.87 -2.21 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12475,7 +12335,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.103 Charge balance - pe = 9.928 Adjusted to redox equilibrium + pe = 9.903 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 77797 Density (g/cm³) = 1.06116 Volume (L) = 1.01834 @@ -12483,9 +12343,9 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 9.204e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.945e-17 + Total alkalinity (eq/kg) = 4.713e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.170e-12 + Electrical balance (eq) = 1.789e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12499,19 +12359,18 @@ Reaction 1. OH- 4.468e-07 2.593e-07 -6.350 -6.586 -0.236 -1.88 H+ 1.062e-07 7.884e-08 -6.974 -7.103 -0.129 0.00 H2O 5.551e+01 9.777e-01 1.744 -0.010 0.000 18.12 -H(0) 9.007e-38 - H2 4.503e-38 5.567e-38 -37.346 -37.254 0.092 28.60 +H(0) 1.010e-37 + H2 5.049e-38 6.241e-38 -37.297 -37.205 0.092 28.60 Na 1.135e+00 Na+ 7.440e-01 5.367e-01 -0.128 -0.270 -0.142 0.02 NaSO4- 3.912e-01 2.575e-01 -0.408 -0.589 -0.182 12.10 - NaOH 1.126e-17 1.392e-17 -16.948 -16.856 0.092 (0) -O(0) 2.759e-15 - O2 1.380e-15 1.705e-15 -14.860 -14.768 0.092 31.10 +O(0) 2.195e-15 + O2 1.097e-15 1.356e-15 -14.960 -14.868 0.092 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.420 -112.656 -0.236 21.90 - H2S 0.000e+00 0.000e+00 -113.028 -112.936 0.092 38.44 - S-2 0.000e+00 0.000e+00 -117.412 -118.183 -0.771 (0) - (H2S)2 0.000e+00 0.000e+00 -227.142 -227.050 0.092 29.63 + HS- 0.000e+00 0.000e+00 -112.221 -112.458 -0.236 21.90 + H2S 0.000e+00 0.000e+00 -112.830 -112.738 0.092 38.44 + S-2 0.000e+00 0.000e+00 -117.213 -117.985 -0.771 (0) + (H2S)2 0.000e+00 0.000e+00 -226.744 -226.652 0.092 29.63 S(6) 5.676e-01 NaSO4- 3.912e-01 2.575e-01 -0.408 -0.589 -0.182 12.10 SO4-2 1.764e-01 2.744e-02 -0.754 -1.562 -0.808 42.99 @@ -12521,12 +12380,12 @@ S(6) 5.676e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.13 -37.25 -3.12 H2 + H2(g) -34.08 -37.20 -3.12 H2 H2O(g) -1.27 -0.01 1.26 H2O - H2S(g) -111.84 -119.76 -7.92 H2S + H2S(g) -111.64 -119.56 -7.92 H2S Mirabilite -1.36 -2.20 -0.84 Na2SO4:10H2O - O2(g) -11.81 -14.77 -2.96 O2 - Sulfur -83.53 -78.87 4.66 S + O2(g) -11.91 -14.87 -2.96 O2 + Sulfur -83.38 -78.72 4.66 S Thenardite -1.75 -2.10 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12564,7 +12423,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.101 Charge balance - pe = -1.279 Adjusted to redox equilibrium + pe = -1.151 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 87045 Density (g/cm³) = 1.07240 Volume (L) = 1.02106 @@ -12572,11 +12431,11 @@ Reaction 1. Activity of water = 0.974 Ionic strength (mol/kgw) = 1.054e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.809e-17 + Total alkalinity (eq/kg) = 2.327e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = 3.518e-11 + Electrical balance (eq) = 7.754e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.818098e+01 @@ -12588,19 +12447,18 @@ Reaction 1. OH- 4.504e-07 2.569e-07 -6.346 -6.590 -0.244 -1.67 H+ 1.073e-07 7.927e-08 -6.969 -7.101 -0.132 0.00 H2O 5.551e+01 9.740e-01 1.744 -0.011 0.000 18.12 -H(0) 2.291e-15 - H2 1.146e-15 1.460e-15 -14.941 -14.836 0.105 28.60 +H(0) 1.268e-15 + H2 6.342e-16 8.083e-16 -15.198 -15.092 0.105 28.60 Na 1.337e+00 Na+ 8.613e-01 6.278e-01 -0.065 -0.202 -0.137 0.09 NaSO4- 4.761e-01 3.102e-01 -0.322 -0.508 -0.186 13.36 - NaOH 1.265e-17 1.613e-17 -16.898 -16.792 0.105 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.715 -59.609 0.105 31.10 -S(-2) 2.379e-23 - HS- 1.925e-23 1.098e-23 -22.716 -22.959 -0.244 21.97 - H2S 4.547e-24 5.795e-24 -23.342 -23.237 0.105 38.44 - S-2 2.007e-28 3.245e-29 -27.698 -28.489 -0.791 (0) - (H2S)2 0.000e+00 0.000e+00 -47.756 -47.651 0.105 29.63 + O2 0.000e+00 0.000e+00 -59.201 -59.096 0.105 31.10 +S(-2) 2.234e-24 + HS- 1.807e-24 1.031e-24 -23.743 -23.987 -0.244 21.97 + H2S 4.269e-25 5.442e-25 -24.370 -24.264 0.105 38.44 + S-2 1.884e-29 3.047e-30 -28.725 -29.516 -0.791 (0) + (H2S)2 0.000e+00 0.000e+00 -49.811 -49.706 0.105 29.63 S(6) 6.687e-01 NaSO4- 4.761e-01 3.102e-01 -0.322 -0.508 -0.186 13.36 SO4-2 1.926e-01 2.826e-02 -0.715 -1.549 -0.833 44.76 @@ -12610,12 +12468,12 @@ S(6) 6.687e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.71 -14.84 -3.12 H2 + H2(g) -11.97 -15.09 -3.12 H2 H2O(g) -1.27 -0.01 1.26 H2O - H2S(g) -22.14 -30.06 -7.92 H2S + H2S(g) -23.17 -31.09 -7.92 H2S Mirabilite -1.23 -2.07 -0.84 Na2SO4:10H2O - O2(g) -56.65 -59.61 -2.96 O2 - Sulfur -16.25 -11.59 4.66 S + O2(g) -56.14 -59.10 -2.96 O2 + Sulfur -17.02 -12.36 4.66 S Thenardite -1.61 -1.95 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12653,7 +12511,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.100 Charge balance - pe = -1.481 Adjusted to redox equilibrium + pe = -1.470 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 89742 Density (g/cm³) = 1.07584 Volume (L) = 1.02193 @@ -12661,9 +12519,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.094e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.579e-16 + Total alkalinity (eq/kg) = 4.808e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 9.470e-12 + Electrical balance (eq) = 1.044e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12677,19 +12535,18 @@ Reaction 1. OH- 4.510e-07 2.560e-07 -6.346 -6.592 -0.246 -1.60 H+ 1.077e-07 7.946e-08 -6.968 -7.100 -0.132 0.00 H2O 5.551e+01 9.728e-01 1.744 -0.012 0.000 18.12 -H(0) 5.775e-15 - H2 2.888e-15 3.715e-15 -14.539 -14.430 0.109 28.60 +H(0) 5.494e-15 + H2 2.747e-15 3.535e-15 -14.561 -14.452 0.109 28.60 Na 1.400e+00 Na+ 8.972e-01 6.564e-01 -0.047 -0.183 -0.136 0.11 NaSO4- 5.028e-01 3.266e-01 -0.299 -0.486 -0.187 13.72 - NaOH 1.306e-17 1.680e-17 -16.884 -16.775 0.109 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.531 -60.421 0.109 31.10 -S(-2) 1.014e-21 - HS- 8.220e-22 4.666e-22 -21.085 -21.331 -0.246 21.99 - H2S 1.919e-22 2.469e-22 -21.717 -21.608 0.109 38.44 - S-2 8.619e-27 1.376e-27 -26.065 -26.861 -0.797 (0) - (H2S)2 0.000e+00 0.000e+00 -44.502 -44.392 0.109 29.63 + O2 0.000e+00 0.000e+00 -60.487 -60.378 0.109 31.10 +S(-2) 8.307e-22 + HS- 6.735e-22 3.823e-22 -21.172 -21.418 -0.246 21.99 + H2S 1.572e-22 2.023e-22 -21.804 -21.694 0.109 38.44 + S-2 7.062e-27 1.127e-27 -26.151 -26.948 -0.797 (0) + (H2S)2 0.000e+00 0.000e+00 -44.675 -44.565 0.109 29.63 S(6) 7.000e-01 NaSO4- 5.028e-01 3.266e-01 -0.299 -0.486 -0.187 13.72 SO4-2 1.972e-01 2.847e-02 -0.705 -1.546 -0.841 45.27 @@ -12699,12 +12556,12 @@ S(6) 7.000e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.31 -14.43 -3.12 H2 + H2(g) -11.33 -14.45 -3.12 H2 H2O(g) -1.27 -0.01 1.26 H2O - H2S(g) -20.51 -28.43 -7.92 H2S + H2S(g) -20.60 -28.52 -7.92 H2S Mirabilite -1.19 -2.03 -0.84 Na2SO4:10H2O - O2(g) -57.46 -60.42 -2.96 O2 - Sulfur -15.03 -10.37 4.66 S + O2(g) -57.42 -60.38 -2.96 O2 + Sulfur -15.09 -10.43 4.66 S Thenardite -1.56 -1.91 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12742,7 +12599,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.093 Charge balance - pe = 9.938 Adjusted to redox equilibrium + pe = 9.905 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 102735 Density (g/cm³) = 1.09368 Volume (L) = 1.02663 @@ -12750,9 +12607,9 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 1.303e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.240e-17 + Total alkalinity (eq/kg) = -5.824e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 4.034e-11 + Electrical balance (eq) = 5.473e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12766,19 +12623,18 @@ Reaction 1. OH- 4.514e-07 2.506e-07 -6.345 -6.601 -0.256 -1.28 H+ 1.101e-07 8.067e-08 -6.958 -7.093 -0.135 0.00 H2O 5.551e+01 9.669e-01 1.744 -0.015 0.000 18.12 -H(0) 8.267e-38 - H2 4.134e-38 5.579e-38 -37.384 -37.253 0.130 28.60 +H(0) 9.623e-38 + H2 4.812e-38 6.495e-38 -37.318 -37.187 0.130 28.60 Na 1.729e+00 Na+ 1.084e+00 8.093e-01 0.035 -0.092 -0.127 0.20 NaSO4- 6.456e-01 4.141e-01 -0.190 -0.383 -0.193 15.41 - NaOH 1.503e-17 2.028e-17 -16.823 -16.693 0.130 (0) -O(0) 2.460e-15 - O2 1.230e-15 1.660e-15 -14.910 -14.780 0.130 31.10 +O(0) 1.815e-15 + O2 9.076e-16 1.225e-15 -15.042 -14.912 0.130 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.340 -112.595 -0.256 22.09 - H2S 0.000e+00 0.000e+00 -112.995 -112.865 0.130 38.44 - S-2 0.000e+00 0.000e+00 -117.310 -118.132 -0.822 (0) - (H2S)2 0.000e+00 0.000e+00 -227.038 -226.907 0.130 29.63 + HS- 0.000e+00 0.000e+00 -112.076 -112.331 -0.256 22.09 + H2S 0.000e+00 0.000e+00 -112.731 -112.601 0.130 38.44 + S-2 0.000e+00 0.000e+00 -117.046 -117.868 -0.822 (0) + (H2S)2 0.000e+00 0.000e+00 -226.510 -226.380 0.130 29.63 S(6) 8.646e-01 NaSO4- 6.456e-01 4.141e-01 -0.190 -0.383 -0.193 15.41 SO4-2 2.190e-01 2.927e-02 -0.660 -1.534 -0.874 47.75 @@ -12788,12 +12644,12 @@ S(6) 8.646e-01 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.13 -37.25 -3.12 H2 + H2(g) -34.07 -37.19 -3.12 H2 H2O(g) -1.27 -0.01 1.26 H2O - H2S(g) -111.77 -119.69 -7.92 H2S + H2S(g) -111.50 -119.42 -7.92 H2S Mirabilite -1.02 -1.86 -0.84 Na2SO4:10H2O - O2(g) -11.82 -14.78 -2.96 O2 - Sulfur -83.46 -78.80 4.66 S + O2(g) -11.95 -14.91 -2.96 O2 + Sulfur -83.26 -78.61 4.66 S Thenardite -1.37 -1.72 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12831,7 +12687,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.087 Charge balance - pe = 10.126 Adjusted to redox equilibrium + pe = 9.751 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 112080 Density (g/cm³) = 1.10805 Volume (L) = 1.03068 @@ -12839,11 +12695,11 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.469e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.783e-17 + Total alkalinity (eq/kg) = -4.534e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = 1.840e-11 + Electrical balance (eq) = 8.594e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 42 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.950622e+01 @@ -12855,19 +12711,18 @@ Reaction 1. OH- 4.491e-07 2.456e-07 -6.348 -6.610 -0.262 -1.02 H+ 1.122e-07 8.192e-08 -6.950 -7.087 -0.137 0.00 H2O 5.551e+01 9.620e-01 1.744 -0.017 0.000 18.12 -H(0) 3.449e-38 - H2 1.725e-38 2.419e-38 -37.763 -37.616 0.147 28.60 +H(0) 1.937e-37 + H2 9.687e-38 1.358e-37 -37.014 -36.867 0.147 28.60 Na 2.000e+00 Na+ 1.234e+00 9.393e-01 0.091 -0.027 -0.119 0.26 NaSO4- 7.657e-01 4.869e-01 -0.116 -0.313 -0.197 16.62 - NaOH 1.645e-17 2.307e-17 -16.784 -16.637 0.147 (0) -O(0) 1.247e-14 - O2 6.236e-15 8.745e-15 -14.205 -14.058 0.147 31.10 +O(0) 3.953e-16 + O2 1.977e-16 2.772e-16 -15.704 -15.557 0.147 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -113.764 -114.026 -0.262 22.17 - H2S 0.000e+00 0.000e+00 -114.436 -114.289 0.147 38.44 - S-2 0.000e+00 0.000e+00 -118.731 -119.570 -0.839 (0) - (H2S)2 0.000e+00 0.000e+00 -229.903 -229.756 0.147 29.63 + HS- 0.000e+00 0.000e+00 -110.766 -111.028 -0.262 22.17 + H2S 0.000e+00 0.000e+00 -111.438 -111.291 0.147 38.44 + S-2 0.000e+00 0.000e+00 -115.733 -116.572 -0.839 (0) + (H2S)2 0.000e+00 0.000e+00 -223.907 -223.760 0.147 29.63 S(6) 1.000e+00 NaSO4- 7.657e-01 4.869e-01 -0.116 -0.313 -0.197 16.62 SO4-2 2.343e-01 2.965e-02 -0.630 -1.528 -0.898 49.58 @@ -12877,12 +12732,12 @@ S(6) 1.000e+00 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.50 -37.62 -3.12 H2 + H2(g) -33.75 -36.87 -3.12 H2 H2O(g) -1.27 -0.02 1.26 H2O - H2S(g) -113.19 -121.11 -7.92 H2S + H2S(g) -110.19 -118.11 -7.92 H2S Mirabilite -0.91 -1.75 -0.84 Na2SO4:10H2O - O2(g) -11.10 -14.06 -2.96 O2 - Sulfur -84.52 -79.86 4.66 S + O2(g) -12.60 -15.56 -2.96 O2 + Sulfur -82.27 -77.62 4.66 S Thenardite -1.23 -1.58 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -12920,7 +12775,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.077 Charge balance - pe = 10.019 Adjusted to redox equilibrium + pe = 9.972 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 122163 Density (g/cm³) = 1.12547 Volume (L) = 1.03589 @@ -12928,9 +12783,9 @@ Reaction 1. Activity of water = 0.956 Ionic strength (mol/kgw) = 1.669e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.075e-16 + Total alkalinity (eq/kg) = -6.107e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 1.836e-10 + Electrical balance (eq) = 1.876e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -12944,19 +12799,18 @@ Reaction 1. OH- 4.440e-07 2.390e-07 -6.353 -6.622 -0.269 -0.72 H+ 1.151e-07 8.366e-08 -6.939 -7.077 -0.139 0.00 H2O 5.551e+01 9.560e-01 1.744 -0.020 0.000 18.12 -H(0) 5.612e-38 - H2 2.806e-38 4.120e-38 -37.552 -37.385 0.167 28.60 +H(0) 6.984e-38 + H2 3.492e-38 5.128e-38 -37.457 -37.290 0.167 28.60 Na 2.335e+00 Na+ 1.418e+00 1.106e+00 0.152 0.044 -0.108 0.34 NaSO4- 9.172e-01 5.780e-01 -0.038 -0.238 -0.200 17.95 - NaOH 1.800e-17 2.643e-17 -16.745 -16.578 0.167 (0) -O(0) 4.053e-15 - O2 2.026e-15 2.976e-15 -14.693 -14.526 0.167 31.10 +O(0) 2.616e-15 + O2 1.308e-15 1.921e-15 -14.883 -14.716 0.167 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.808 -113.077 -0.269 22.25 - H2S 0.000e+00 0.000e+00 -113.498 -113.331 0.167 38.44 - S-2 0.000e+00 0.000e+00 -117.773 -118.630 -0.857 (0) - (H2S)2 0.000e+00 0.000e+00 -228.007 -227.840 0.167 29.63 + HS- 0.000e+00 0.000e+00 -112.428 -112.697 -0.269 22.25 + H2S 0.000e+00 0.000e+00 -113.118 -112.951 0.167 38.44 + S-2 0.000e+00 0.000e+00 -117.393 -118.250 -0.857 (0) + (H2S)2 0.000e+00 0.000e+00 -227.246 -227.079 0.167 29.63 S(6) 1.168e+00 NaSO4- 9.172e-01 5.780e-01 -0.038 -0.238 -0.200 17.95 SO4-2 2.505e-01 2.989e-02 -0.601 -1.524 -0.923 51.65 @@ -12966,12 +12820,12 @@ S(6) 1.168e+00 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.26 -37.39 -3.12 H2 + H2(g) -34.17 -37.29 -3.12 H2 H2O(g) -1.27 -0.02 1.26 H2O - H2S(g) -112.23 -120.15 -7.92 H2S + H2S(g) -111.85 -119.77 -7.92 H2S Mirabilite -0.79 -1.63 -0.84 Na2SO4:10H2O - O2(g) -11.57 -14.53 -2.96 O2 - Sulfur -83.79 -79.14 4.66 S + O2(g) -11.76 -14.72 -2.96 O2 + Sulfur -83.51 -78.85 4.66 S Thenardite -1.09 -1.44 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13009,7 +12863,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.076 Charge balance - pe = -1.436 Adjusted to redox equilibrium + pe = -1.461 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 123932 Density (g/cm³) = 1.12878 Volume (L) = 1.03692 @@ -13017,9 +12871,9 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.707e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.661e-16 + Total alkalinity (eq/kg) = 2.110e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 5.681e-10 + Electrical balance (eq) = 2.254e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -13033,19 +12887,18 @@ Reaction 1. OH- 4.428e-07 2.377e-07 -6.354 -6.624 -0.270 -0.66 H+ 1.157e-07 8.402e-08 -6.937 -7.076 -0.139 0.00 H2O 5.551e+01 9.549e-01 1.744 -0.020 0.000 18.12 -H(0) 4.567e-15 - H2 2.284e-15 3.383e-15 -14.641 -14.471 0.171 28.60 +H(0) 5.113e-15 + H2 2.556e-15 3.787e-15 -14.592 -14.422 0.171 28.60 Na 2.400e+00 Na+ 1.453e+00 1.139e+00 0.162 0.057 -0.106 0.35 NaSO4- 9.466e-01 5.957e-01 -0.024 -0.225 -0.201 18.18 - NaOH 1.827e-17 2.707e-17 -16.738 -16.568 0.171 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.527 -60.356 0.171 31.10 -S(-2) 8.609e-22 - HS- 7.158e-22 3.841e-22 -21.145 -21.416 -0.270 22.26 - H2S 1.451e-22 2.149e-22 -21.838 -21.668 0.171 38.44 - S-2 7.754e-27 1.071e-27 -26.110 -26.970 -0.860 (0) - (H2S)2 0.000e+00 0.000e+00 -44.683 -44.513 0.171 29.63 + O2 0.000e+00 0.000e+00 -60.625 -60.454 0.171 31.10 +S(-2) 1.352e-21 + HS- 1.124e-21 6.032e-22 -20.949 -21.220 -0.270 22.26 + H2S 2.278e-22 3.375e-22 -21.642 -21.472 0.171 38.44 + S-2 1.218e-26 1.682e-27 -25.914 -26.774 -0.860 (0) + (H2S)2 0.000e+00 0.000e+00 -44.291 -44.121 0.171 29.63 S(6) 1.200e+00 NaSO4- 9.466e-01 5.957e-01 -0.024 -0.225 -0.201 18.18 SO4-2 2.534e-01 2.992e-02 -0.596 -1.524 -0.928 52.02 @@ -13055,12 +12908,12 @@ S(6) 1.200e+00 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.35 -14.47 -3.12 H2 + H2(g) -11.30 -14.42 -3.12 H2 H2O(g) -1.28 -0.02 1.26 H2O - H2S(g) -20.57 -28.49 -7.92 H2S + H2S(g) -20.37 -28.30 -7.92 H2S Mirabilite -0.77 -1.61 -0.84 Na2SO4:10H2O - O2(g) -57.40 -60.36 -2.96 O2 - Sulfur -15.04 -10.39 4.66 S + O2(g) -57.50 -60.45 -2.96 O2 + Sulfur -14.90 -10.24 4.66 S Thenardite -1.06 -1.41 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13098,7 +12951,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.068 Charge balance - pe = 9.997 Adjusted to redox equilibrium + pe = 9.967 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 130358 Density (g/cm³) = 1.14161 Volume (L) = 1.04101 @@ -13106,9 +12959,9 @@ Reaction 1. Activity of water = 0.950 Ionic strength (mol/kgw) = 1.854e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.028e-16 + Total alkalinity (eq/kg) = -2.506e-17 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.524e-10 + Electrical balance (eq) = 3.797e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -13122,19 +12975,18 @@ Reaction 1. OH- 4.377e-07 2.325e-07 -6.359 -6.634 -0.275 -0.45 H+ 1.180e-07 8.547e-08 -6.928 -7.068 -0.140 0.00 H2O 5.551e+01 9.504e-01 1.744 -0.022 0.000 18.12 -H(0) 6.217e-38 - H2 3.108e-38 4.764e-38 -37.507 -37.322 0.185 28.60 +H(0) 7.134e-38 + H2 3.567e-38 5.466e-38 -37.448 -37.262 0.185 28.60 Na 2.653e+00 Na+ 1.590e+00 1.271e+00 0.201 0.104 -0.097 0.41 NaSO4- 1.063e+00 6.651e-01 0.026 -0.177 -0.204 19.07 - NaOH 1.928e-17 2.955e-17 -16.715 -16.529 0.185 (0) -O(0) 2.871e-15 - O2 1.436e-15 2.200e-15 -14.843 -14.658 0.185 31.10 +O(0) 2.181e-15 + O2 1.090e-15 1.671e-15 -14.962 -14.777 0.185 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -112.530 -112.805 -0.275 22.32 - H2S 0.000e+00 0.000e+00 -113.235 -113.050 0.185 38.44 - S-2 0.000e+00 0.000e+00 -117.496 -118.367 -0.871 (0) - (H2S)2 0.000e+00 0.000e+00 -227.462 -227.277 0.185 29.63 + HS- 0.000e+00 0.000e+00 -112.291 -112.566 -0.275 22.32 + H2S 0.000e+00 0.000e+00 -112.996 -112.811 0.185 38.44 + S-2 0.000e+00 0.000e+00 -117.257 -118.128 -0.871 (0) + (H2S)2 0.000e+00 0.000e+00 -226.984 -226.799 0.185 29.63 S(6) 1.327e+00 NaSO4- 1.063e+00 6.651e-01 0.026 -0.177 -0.204 19.07 SO4-2 2.637e-01 2.994e-02 -0.579 -1.524 -0.945 53.44 @@ -13144,12 +12996,12 @@ S(6) 1.327e+00 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.20 -37.32 -3.12 H2 + H2(g) -34.14 -37.26 -3.12 H2 H2O(g) -1.28 -0.02 1.26 H2O - H2S(g) -111.95 -119.87 -7.92 H2S + H2S(g) -111.71 -119.63 -7.92 H2S Mirabilite -0.69 -1.54 -0.84 Na2SO4:10H2O - O2(g) -11.70 -14.66 -2.96 O2 - Sulfur -83.58 -78.92 4.66 S + O2(g) -11.82 -14.78 -2.96 O2 + Sulfur -83.40 -78.74 4.66 S Thenardite -0.97 -1.32 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13187,7 +13039,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.057 Charge balance - pe = 9.941 Adjusted to redox equilibrium + pe = 9.933 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 138557 Density (g/cm³) = 1.16033 Volume (L) = 1.04731 @@ -13195,9 +13047,9 @@ Reaction 1. Activity of water = 0.944 Ionic strength (mol/kgw) = 2.069e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.479e-17 + Total alkalinity (eq/kg) = 3.359e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = 3.972e-10 + Electrical balance (eq) = 3.646e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -13211,19 +13063,18 @@ Reaction 1. OH- 4.291e-07 2.249e-07 -6.367 -6.648 -0.281 -0.13 H+ 1.216e-07 8.775e-08 -6.915 -7.057 -0.142 0.00 H2O 5.551e+01 9.438e-01 1.744 -0.025 0.000 18.12 -H(0) 8.083e-38 - H2 4.041e-38 6.508e-38 -37.393 -37.187 0.207 28.60 +H(0) 8.357e-38 + H2 4.178e-38 6.729e-38 -37.379 -37.172 0.207 28.60 Na 3.030e+00 Na+ 1.792e+00 1.475e+00 0.253 0.169 -0.085 0.48 NaSO4- 1.238e+00 7.691e-01 0.093 -0.114 -0.207 20.27 - NaOH 2.060e-17 3.318e-17 -16.686 -16.479 0.207 (0) -O(0) 1.443e-15 - O2 7.217e-16 1.162e-15 -15.142 -14.935 0.207 31.10 +O(0) 1.350e-15 + O2 6.752e-16 1.087e-15 -15.171 -14.964 0.207 31.10 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -111.960 -112.241 -0.281 22.40 - H2S 0.000e+00 0.000e+00 -112.681 -112.474 0.207 38.44 - S-2 0.000e+00 0.000e+00 -116.929 -117.814 -0.885 (0) - (H2S)2 0.000e+00 0.000e+00 -226.333 -226.126 0.207 29.63 + HS- 0.000e+00 0.000e+00 -111.903 -112.183 -0.281 22.40 + H2S 0.000e+00 0.000e+00 -112.623 -112.417 0.207 38.44 + S-2 0.000e+00 0.000e+00 -116.871 -117.757 -0.885 (0) + (H2S)2 0.000e+00 0.000e+00 -226.217 -226.010 0.207 29.63 S(6) 1.515e+00 NaSO4- 1.238e+00 7.691e-01 0.093 -0.114 -0.207 20.27 SO4-2 2.771e-01 2.982e-02 -0.557 -1.525 -0.968 55.41 @@ -13233,12 +13084,12 @@ S(6) 1.515e+00 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -34.07 -37.19 -3.12 H2 + H2(g) -34.05 -37.17 -3.12 H2 H2O(g) -1.28 -0.03 1.26 H2O - H2S(g) -111.38 -119.30 -7.92 H2S + H2S(g) -111.32 -119.24 -7.92 H2S Mirabilite -0.60 -1.44 -0.84 Na2SO4:10H2O - O2(g) -11.98 -14.93 -2.96 O2 - Sulfur -83.14 -78.48 4.66 S + O2(g) -12.01 -14.96 -2.96 O2 + Sulfur -83.09 -78.44 4.66 S Thenardite -0.84 -1.19 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13276,7 +13127,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.046 Charge balance - pe = -1.422 Adjusted to redox equilibrium + pe = -1.463 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 144921 Density (g/cm³) = 1.17753 Volume (L) = 1.05343 @@ -13284,9 +13135,9 @@ Reaction 1. Activity of water = 0.938 Ionic strength (mol/kgw) = 2.268e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.482e-17 + Total alkalinity (eq/kg) = 3.048e-16 Temperature (°C) = 35.00 - Electrical balance (eq) = 4.221e-10 + Electrical balance (eq) = 6.022e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -13300,19 +13151,18 @@ Reaction 1. OH- 4.203e-07 2.179e-07 -6.376 -6.662 -0.285 0.15 H+ 1.250e-07 8.999e-08 -6.903 -7.046 -0.143 0.00 H2O 5.551e+01 9.376e-01 1.744 -0.028 0.000 18.12 -H(0) 4.318e-15 - H2 2.159e-15 3.640e-15 -14.666 -14.439 0.227 28.60 +H(0) 5.210e-15 + H2 2.605e-15 4.392e-15 -14.584 -14.357 0.227 28.60 Na 3.386e+00 Na+ 1.981e+00 1.677e+00 0.297 0.225 -0.072 0.54 NaSO4- 1.405e+00 8.675e-01 0.148 -0.062 -0.209 21.29 - NaOH 2.167e-17 3.654e-17 -16.664 -16.437 0.227 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.663 -60.436 0.227 31.10 -S(-2) 1.341e-21 - HS- 1.132e-21 5.868e-22 -20.946 -21.231 -0.285 22.47 - H2S 2.086e-22 3.516e-22 -21.681 -21.454 0.227 38.44 - S-2 1.206e-26 1.528e-27 -25.919 -26.816 -0.897 (0) - (H2S)2 0.000e+00 0.000e+00 -44.312 -44.085 0.227 29.63 + O2 0.000e+00 0.000e+00 -60.826 -60.599 0.227 31.10 +S(-2) 2.842e-21 + HS- 2.399e-21 1.244e-21 -20.620 -20.905 -0.285 22.47 + H2S 4.421e-22 7.453e-22 -21.355 -21.128 0.227 38.44 + S-2 2.557e-26 3.239e-27 -25.592 -26.490 -0.897 (0) + (H2S)2 0.000e+00 0.000e+00 -43.659 -43.433 0.227 29.63 S(6) 1.693e+00 NaSO4- 1.405e+00 8.675e-01 0.148 -0.062 -0.209 21.29 SO4-2 2.878e-01 2.959e-02 -0.541 -1.529 -0.988 57.13 @@ -13322,12 +13172,12 @@ S(6) 1.693e+00 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.32 -14.44 -3.12 H2 + H2(g) -11.24 -14.36 -3.12 H2 H2O(g) -1.28 -0.03 1.26 H2O - H2S(g) -20.36 -28.28 -7.92 H2S + H2S(g) -20.03 -27.95 -7.92 H2S Mirabilite -0.52 -1.36 -0.84 Na2SO4:10H2O - O2(g) -57.48 -60.44 -2.96 O2 - Sulfur -14.86 -10.21 4.66 S + O2(g) -57.64 -60.60 -2.96 O2 + Sulfur -14.62 -9.96 4.66 S Thenardite -0.73 -1.08 -0.35 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13469,7 +13319,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.906 Charge balance - pe = 9.351 Adjusted to redox equilibrium + pe = 9.352 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 13217 Density (g/cm³) = 0.99644 Volume (L) = 1.01070 @@ -13477,7 +13327,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.157e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.022e-17 + Total alkalinity (eq/kg) = 2.782e-17 Temperature (°C) = 45.00 Electrical balance (eq) = 9.393e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -13493,19 +13343,18 @@ Reaction 1. OH- 4.363e-07 3.241e-07 -6.360 -6.489 -0.129 -3.30 H+ 1.525e-07 1.242e-07 -6.817 -6.906 -0.089 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.19 -H(0) 3.502e-36 - H2 1.751e-36 1.798e-36 -35.757 -35.745 0.012 28.59 +H(0) 3.484e-36 + H2 1.742e-36 1.789e-36 -35.759 -35.747 0.012 28.59 Na 1.000e-01 Na+ 8.285e-02 6.376e-02 -1.082 -1.195 -0.114 -0.28 NaSO4- 1.715e-02 1.328e-02 -1.766 -1.877 -0.111 -2.11 - NaOH 2.012e-18 2.066e-18 -17.696 -17.685 0.012 (0) -O(0) 2.796e-15 - O2 1.398e-15 1.436e-15 -14.855 -14.843 0.012 31.67 +O(0) 2.825e-15 + O2 1.413e-15 1.451e-15 -14.850 -14.838 0.012 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -107.899 -108.028 -0.129 21.46 - H2S 0.000e+00 0.000e+00 -108.218 -108.206 0.012 40.17 - S-2 0.000e+00 0.000e+00 -113.022 -113.482 -0.460 (0) - (H2S)2 0.000e+00 0.000e+00 -217.515 -217.504 0.012 29.09 + HS- 0.000e+00 0.000e+00 -107.908 -108.037 -0.129 21.46 + H2S 0.000e+00 0.000e+00 -108.227 -108.215 0.012 40.17 + S-2 0.000e+00 0.000e+00 -113.031 -113.491 -0.460 (0) + (H2S)2 0.000e+00 0.000e+00 -217.534 -217.522 0.012 29.09 S(6) 5.000e-02 SO4-2 3.285e-02 1.126e-02 -1.483 -1.948 -0.465 26.37 NaSO4- 1.715e-02 1.328e-02 -1.766 -1.877 -0.111 -2.11 @@ -13517,10 +13366,10 @@ S(6) 5.000e-02 H2(g) -32.61 -35.75 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O - H2S(g) -107.02 -114.93 -7.91 H2S + H2S(g) -107.03 -114.94 -7.91 H2S Mirabilite -3.84 -4.35 -0.51 Na2SO4:10H2O O2(g) -11.83 -14.84 -3.01 O2 - Sulfur -80.14 -75.69 4.44 S + Sulfur -80.14 -75.70 4.44 S Thenardite -3.94 -4.34 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13558,7 +13407,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.906 Charge balance - pe = 9.351 Adjusted to redox equilibrium + pe = 9.352 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 13217 Density (g/cm³) = 0.99644 Volume (L) = 1.01070 @@ -13566,7 +13415,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.157e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.022e-17 + Total alkalinity (eq/kg) = 2.782e-17 Temperature (°C) = 45.00 Electrical balance (eq) = 9.393e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -13582,19 +13431,18 @@ Reaction 1. OH- 4.363e-07 3.241e-07 -6.360 -6.489 -0.129 -3.30 H+ 1.525e-07 1.242e-07 -6.817 -6.906 -0.089 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.19 -H(0) 3.502e-36 - H2 1.751e-36 1.798e-36 -35.757 -35.745 0.012 28.59 +H(0) 3.484e-36 + H2 1.742e-36 1.789e-36 -35.759 -35.747 0.012 28.59 Na 1.000e-01 Na+ 8.285e-02 6.376e-02 -1.082 -1.195 -0.114 -0.28 NaSO4- 1.715e-02 1.328e-02 -1.766 -1.877 -0.111 -2.11 - NaOH 2.012e-18 2.066e-18 -17.696 -17.685 0.012 (0) -O(0) 2.796e-15 - O2 1.398e-15 1.436e-15 -14.855 -14.843 0.012 31.67 +O(0) 2.825e-15 + O2 1.413e-15 1.451e-15 -14.850 -14.838 0.012 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -107.899 -108.028 -0.129 21.46 - H2S 0.000e+00 0.000e+00 -108.218 -108.206 0.012 40.17 - S-2 0.000e+00 0.000e+00 -113.022 -113.482 -0.460 (0) - (H2S)2 0.000e+00 0.000e+00 -217.515 -217.504 0.012 29.09 + HS- 0.000e+00 0.000e+00 -107.908 -108.037 -0.129 21.46 + H2S 0.000e+00 0.000e+00 -108.227 -108.215 0.012 40.17 + S-2 0.000e+00 0.000e+00 -113.031 -113.491 -0.460 (0) + (H2S)2 0.000e+00 0.000e+00 -217.534 -217.522 0.012 29.09 S(6) 5.000e-02 SO4-2 3.285e-02 1.126e-02 -1.483 -1.948 -0.465 26.37 NaSO4- 1.715e-02 1.328e-02 -1.766 -1.877 -0.111 -2.11 @@ -13606,10 +13454,10 @@ S(6) 5.000e-02 H2(g) -32.61 -35.75 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O - H2S(g) -107.02 -114.93 -7.91 H2S + H2S(g) -107.03 -114.94 -7.91 H2S Mirabilite -3.84 -4.35 -0.51 Na2SO4:10H2O O2(g) -11.83 -14.84 -3.01 O2 - Sulfur -80.14 -75.69 4.44 S + Sulfur -80.14 -75.70 4.44 S Thenardite -3.94 -4.34 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13647,7 +13495,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.946 Charge balance - pe = -1.155 Adjusted to redox equilibrium + pe = -1.153 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 23823 Density (g/cm³) = 1.00258 Volume (L) = 1.01159 @@ -13655,9 +13503,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.116e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.109e-16 + Total alkalinity (eq/kg) = -8.759e-16 Temperature (°C) = 45.00 - Electrical balance (eq) = -2.469e-10 + Electrical balance (eq) = -8.593e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -13671,19 +13519,18 @@ Reaction 1. OH- 5.107e-07 3.544e-07 -6.292 -6.451 -0.159 -3.06 H+ 1.435e-07 1.133e-07 -6.843 -6.946 -0.103 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.19 -H(0) 2.935e-15 - H2 1.468e-15 1.541e-15 -14.833 -14.812 0.021 28.59 +H(0) 2.915e-15 + H2 1.457e-15 1.530e-15 -14.836 -14.815 0.021 28.59 Na 2.000e-01 Na+ 1.558e-01 1.148e-01 -0.807 -0.940 -0.133 -0.15 NaSO4- 4.419e-02 3.258e-02 -1.355 -1.487 -0.132 1.54 - NaOH 3.874e-18 4.068e-18 -17.412 -17.391 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.732 -56.711 0.021 31.67 -S(-2) 1.279e-24 - HS- 9.136e-25 6.340e-25 -24.039 -24.198 -0.159 21.59 - H2S 3.655e-25 3.837e-25 -24.437 -24.416 0.021 40.17 - S-2 8.701e-30 2.439e-30 -29.060 -29.613 -0.552 (0) - (H2S)2 0.000e+00 0.000e+00 -49.944 -49.923 0.021 29.09 + O2 0.000e+00 0.000e+00 -56.726 -56.704 0.021 31.67 +S(-2) 1.243e-24 + HS- 8.882e-25 6.163e-25 -24.051 -24.210 -0.159 21.59 + H2S 3.553e-25 3.730e-25 -24.449 -24.428 0.021 40.17 + S-2 8.458e-30 2.371e-30 -29.073 -29.625 -0.552 (0) + (H2S)2 0.000e+00 0.000e+00 -49.969 -49.948 0.021 29.09 S(6) 1.000e-01 SO4-2 5.581e-02 1.534e-02 -1.253 -1.814 -0.561 29.75 NaSO4- 4.419e-02 3.258e-02 -1.355 -1.487 -0.132 1.54 @@ -13693,12 +13540,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -11.68 -14.81 -3.13 H2 + H2(g) -11.68 -14.82 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O - H2S(g) -23.23 -31.14 -7.91 H2S + H2S(g) -23.24 -31.16 -7.91 H2S Mirabilite -3.20 -3.71 -0.51 Na2SO4:10H2O - O2(g) -53.70 -56.71 -3.01 O2 - Sulfur -17.28 -12.83 4.44 S + O2(g) -53.70 -56.70 -3.01 O2 + Sulfur -17.29 -12.84 4.44 S Thenardite -3.30 -3.69 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13736,7 +13583,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.946 Charge balance - pe = -1.155 Adjusted to redox equilibrium + pe = -1.153 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 23823 Density (g/cm³) = 1.00258 Volume (L) = 1.01159 @@ -13744,9 +13591,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.116e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.109e-16 + Total alkalinity (eq/kg) = -8.759e-16 Temperature (°C) = 45.00 - Electrical balance (eq) = -2.469e-10 + Electrical balance (eq) = -8.593e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -13760,19 +13607,18 @@ Reaction 1. OH- 5.107e-07 3.544e-07 -6.292 -6.451 -0.159 -3.06 H+ 1.435e-07 1.133e-07 -6.843 -6.946 -0.103 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.19 -H(0) 2.935e-15 - H2 1.468e-15 1.541e-15 -14.833 -14.812 0.021 28.59 +H(0) 2.915e-15 + H2 1.457e-15 1.530e-15 -14.836 -14.815 0.021 28.59 Na 2.000e-01 Na+ 1.558e-01 1.148e-01 -0.807 -0.940 -0.133 -0.15 NaSO4- 4.419e-02 3.258e-02 -1.355 -1.487 -0.132 1.54 - NaOH 3.874e-18 4.068e-18 -17.412 -17.391 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.732 -56.711 0.021 31.67 -S(-2) 1.279e-24 - HS- 9.136e-25 6.340e-25 -24.039 -24.198 -0.159 21.59 - H2S 3.655e-25 3.837e-25 -24.437 -24.416 0.021 40.17 - S-2 8.701e-30 2.439e-30 -29.060 -29.613 -0.552 (0) - (H2S)2 0.000e+00 0.000e+00 -49.944 -49.923 0.021 29.09 + O2 0.000e+00 0.000e+00 -56.726 -56.704 0.021 31.67 +S(-2) 1.243e-24 + HS- 8.882e-25 6.163e-25 -24.051 -24.210 -0.159 21.59 + H2S 3.553e-25 3.730e-25 -24.449 -24.428 0.021 40.17 + S-2 8.458e-30 2.371e-30 -29.073 -29.625 -0.552 (0) + (H2S)2 0.000e+00 0.000e+00 -49.969 -49.948 0.021 29.09 S(6) 1.000e-01 SO4-2 5.581e-02 1.534e-02 -1.253 -1.814 -0.561 29.75 NaSO4- 4.419e-02 3.258e-02 -1.355 -1.487 -0.132 1.54 @@ -13782,12 +13628,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -11.68 -14.81 -3.13 H2 + H2(g) -11.68 -14.82 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O - H2S(g) -23.23 -31.14 -7.91 H2S + H2S(g) -23.24 -31.16 -7.91 H2S Mirabilite -3.20 -3.71 -0.51 Na2SO4:10H2O - O2(g) -53.70 -56.71 -3.01 O2 - Sulfur -17.28 -12.83 4.44 S + O2(g) -53.70 -56.70 -3.01 O2 + Sulfur -17.29 -12.84 4.44 S Thenardite -3.30 -3.69 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13825,7 +13671,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = 9.224 Adjusted to redox equilibrium + pe = 9.226 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 33325 Density (g/cm³) = 1.00863 Volume (L) = 1.01257 @@ -13833,9 +13679,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.995e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.942e-17 + Total alkalinity (eq/kg) = 3.951e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.685e-14 + Electrical balance (eq) = 1.665e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -13849,19 +13695,18 @@ Reaction 1. OH- 5.565e-07 3.701e-07 -6.255 -6.432 -0.177 -2.86 H+ 1.395e-07 1.083e-07 -6.855 -6.965 -0.110 0.00 H2O 5.551e+01 9.936e-01 1.744 -0.003 0.000 18.19 -H(0) 4.584e-36 - H2 2.292e-36 2.455e-36 -35.640 -35.610 0.030 28.59 +H(0) 4.544e-36 + H2 2.272e-36 2.434e-36 -35.644 -35.614 0.030 28.59 Na 3.000e-01 Na+ 2.248e-01 1.621e-01 -0.648 -0.790 -0.142 -0.06 NaSO4- 7.524e-02 5.389e-02 -1.124 -1.268 -0.145 3.87 - NaOH 5.601e-18 6.001e-18 -17.252 -17.222 0.030 (0) -O(0) 1.426e-15 - O2 7.128e-16 7.637e-16 -15.147 -15.117 0.030 31.67 +O(0) 1.450e-15 + O2 7.252e-16 7.770e-16 -15.140 -15.110 0.030 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -107.159 -107.336 -0.177 21.69 - H2S 0.000e+00 0.000e+00 -107.604 -107.574 0.030 40.17 - S-2 0.000e+00 0.000e+00 -112.124 -112.731 -0.607 (0) - (H2S)2 0.000e+00 0.000e+00 -216.269 -216.239 0.030 29.09 + HS- 0.000e+00 0.000e+00 -107.174 -107.351 -0.177 21.69 + H2S 0.000e+00 0.000e+00 -107.619 -107.589 0.030 40.17 + S-2 0.000e+00 0.000e+00 -112.139 -112.746 -0.607 (0) + (H2S)2 0.000e+00 0.000e+00 -216.299 -216.269 0.030 29.09 S(6) 1.500e-01 NaSO4- 7.524e-02 5.389e-02 -1.124 -1.268 -0.145 3.87 SO4-2 7.476e-02 1.797e-02 -1.126 -1.746 -0.619 32.16 @@ -13873,10 +13718,10 @@ S(6) 1.500e-01 H2(g) -32.48 -35.61 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O - H2S(g) -106.39 -114.30 -7.91 H2S + H2S(g) -106.40 -114.32 -7.91 H2S Mirabilite -2.85 -3.35 -0.51 Na2SO4:10H2O - O2(g) -12.11 -15.12 -3.01 O2 - Sulfur -79.64 -75.20 4.44 S + O2(g) -12.10 -15.11 -3.01 O2 + Sulfur -79.65 -75.21 4.44 S Thenardite -2.93 -3.33 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -13914,7 +13759,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = -0.953 Adjusted to redox equilibrium + pe = -0.961 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 33779 Density (g/cm³) = 1.00893 Volume (L) = 1.01262 @@ -13922,11 +13767,11 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 3.038e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.205e-17 + Total alkalinity (eq/kg) = 8.441e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.377e-10 + Electrical balance (eq) = 3.779e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.611622e+01 @@ -13938,19 +13783,18 @@ Reaction 1. OH- 5.583e-07 3.707e-07 -6.253 -6.431 -0.178 -2.85 H+ 1.394e-07 1.081e-07 -6.856 -6.966 -0.110 0.00 H2O 5.551e+01 9.935e-01 1.744 -0.003 0.000 18.19 -H(0) 1.031e-15 - H2 5.153e-16 5.526e-16 -15.288 -15.258 0.030 28.59 +H(0) 1.069e-15 + H2 5.344e-16 5.731e-16 -15.272 -15.242 0.030 28.59 Na 3.050e-01 Na+ 2.281e-01 1.645e-01 -0.642 -0.784 -0.142 -0.06 NaSO4- 7.686e-02 5.499e-02 -1.114 -1.260 -0.145 3.97 - NaOH 5.685e-18 6.097e-18 -17.245 -17.215 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.852 -55.822 0.030 31.67 -S(-2) 2.430e-26 - HS- 1.790e-26 1.188e-26 -25.747 -25.925 -0.178 21.70 - H2S 6.397e-27 6.861e-27 -26.194 -26.164 0.030 40.17 - S-2 1.950e-31 4.793e-32 -30.710 -31.319 -0.609 (0) - (H2S)2 0.000e+00 0.000e+00 -53.449 -53.418 0.030 29.09 + O2 0.000e+00 0.000e+00 -55.884 -55.853 0.030 31.67 +S(-2) 2.811e-26 + HS- 2.071e-26 1.375e-26 -25.684 -25.862 -0.178 21.70 + H2S 7.401e-27 7.937e-27 -26.131 -26.100 0.030 40.17 + S-2 2.256e-31 5.545e-32 -30.647 -31.256 -0.609 (0) + (H2S)2 0.000e+00 0.000e+00 -53.322 -53.292 0.030 29.09 S(6) 1.525e-01 NaSO4- 7.686e-02 5.499e-02 -1.114 -1.260 -0.145 3.97 SO4-2 7.564e-02 1.808e-02 -1.121 -1.743 -0.622 32.26 @@ -13960,12 +13804,12 @@ S(6) 1.525e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -12.12 -15.26 -3.13 H2 + H2(g) -12.11 -15.24 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O - H2S(g) -24.98 -32.89 -7.91 H2S + H2S(g) -24.91 -32.83 -7.91 H2S Mirabilite -2.83 -3.34 -0.51 Na2SO4:10H2O - O2(g) -52.81 -55.82 -3.01 O2 - Sulfur -18.58 -14.14 4.44 S + O2(g) -52.84 -55.85 -3.01 O2 + Sulfur -18.53 -14.09 4.44 S Thenardite -2.91 -3.31 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14003,7 +13847,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.990 Charge balance - pe = 9.236 Adjusted to redox equilibrium + pe = 9.228 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 59444 Density (g/cm³) = 1.02754 Volume (L) = 1.01610 @@ -14011,9 +13855,9 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.533e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.586e-15 + Total alkalinity (eq/kg) = 1.706e-15 Temperature (°C) = 45.00 - Electrical balance (eq) = -1.494e-09 + Electrical balance (eq) = -1.495e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -14027,19 +13871,18 @@ Reaction 1. OH- 6.331e-07 3.892e-07 -6.199 -6.410 -0.211 -2.36 H+ 1.356e-07 1.023e-07 -6.868 -6.990 -0.122 0.00 H2O 5.551e+01 9.874e-01 1.744 -0.006 0.000 18.19 -H(0) 3.647e-36 - H2 1.823e-36 2.071e-36 -35.739 -35.684 0.055 28.59 +H(0) 3.784e-36 + H2 1.892e-36 2.149e-36 -35.723 -35.668 0.055 28.59 Na 6.207e-01 Na+ 4.318e-01 3.051e-01 -0.365 -0.515 -0.151 0.12 NaSO4- 1.889e-01 1.286e-01 -0.724 -0.891 -0.167 8.48 - NaOH 1.046e-17 1.188e-17 -16.981 -16.925 0.055 (0) -O(0) 1.866e-15 - O2 9.332e-16 1.060e-15 -15.030 -14.975 0.055 31.67 +O(0) 1.733e-15 + O2 8.666e-16 9.843e-16 -15.062 -15.007 0.055 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -107.331 -107.543 -0.211 21.92 - H2S 0.000e+00 0.000e+00 -107.860 -107.805 0.055 40.17 - S-2 0.000e+00 0.000e+00 -112.208 -112.913 -0.705 (0) - (H2S)2 0.000e+00 0.000e+00 -216.756 -216.701 0.055 29.09 + HS- 0.000e+00 0.000e+00 -107.267 -107.478 -0.211 21.92 + H2S 0.000e+00 0.000e+00 -107.796 -107.741 0.055 40.17 + S-2 0.000e+00 0.000e+00 -112.144 -112.849 -0.705 (0) + (H2S)2 0.000e+00 0.000e+00 -216.628 -216.573 0.055 29.09 S(6) 3.103e-01 NaSO4- 1.889e-01 1.286e-01 -0.724 -0.891 -0.167 8.48 SO4-2 1.215e-01 2.278e-02 -0.916 -1.642 -0.727 37.47 @@ -14049,12 +13892,12 @@ S(6) 3.103e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -32.55 -35.68 -3.13 H2 + H2(g) -32.53 -35.67 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O - H2S(g) -106.62 -114.53 -7.91 H2S + H2S(g) -106.55 -114.47 -7.91 H2S Mirabilite -2.22 -2.73 -0.51 Na2SO4:10H2O - O2(g) -11.97 -14.97 -3.01 O2 - Sulfur -79.80 -75.35 4.44 S + O2(g) -12.00 -15.01 -3.01 O2 + Sulfur -79.75 -75.30 4.44 S Thenardite -2.28 -2.67 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14092,7 +13935,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = -1.381 Adjusted to redox equilibrium + pe = -1.387 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 80919 Density (g/cm³) = 1.04562 Volume (L) = 1.02001 @@ -14100,9 +13943,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 7.799e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.329e-17 + Total alkalinity (eq/kg) = 5.731e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.674e-13 + Electrical balance (eq) = 1.668e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -14116,19 +13959,18 @@ Reaction 1. OH- 6.654e-07 3.911e-07 -6.177 -6.408 -0.231 -1.95 H+ 1.361e-07 1.012e-07 -6.866 -6.995 -0.128 0.00 H2O 5.551e+01 9.814e-01 1.744 -0.008 0.000 18.19 -H(0) 5.817e-15 - H2 2.909e-15 3.481e-15 -14.536 -14.458 0.078 28.59 +H(0) 5.979e-15 + H2 2.989e-15 3.577e-15 -14.524 -14.446 0.078 28.59 Na 9.369e-01 Na+ 6.241e-01 4.430e-01 -0.205 -0.354 -0.149 0.25 NaSO4- 3.127e-01 2.071e-01 -0.505 -0.684 -0.179 11.36 - NaOH 1.448e-17 1.733e-17 -16.839 -16.761 0.078 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.509 -57.431 0.078 31.67 -S(-2) 5.538e-23 - HS- 4.376e-23 2.572e-23 -22.359 -22.590 -0.231 22.08 - H2S 1.162e-23 1.390e-23 -22.935 -22.857 0.078 40.17 - S-2 6.353e-28 1.108e-28 -27.197 -27.955 -0.758 (0) - (H2S)2 0.000e+00 0.000e+00 -46.883 -46.805 0.078 29.09 + O2 0.000e+00 0.000e+00 -57.533 -57.455 0.078 31.67 +S(-2) 6.179e-23 + HS- 4.882e-23 2.870e-23 -22.311 -22.542 -0.231 22.08 + H2S 1.296e-23 1.551e-23 -22.887 -22.809 0.078 40.17 + S-2 7.089e-28 1.236e-28 -27.149 -27.908 -0.758 (0) + (H2S)2 0.000e+00 0.000e+00 -46.788 -46.710 0.078 29.09 S(6) 4.684e-01 NaSO4- 3.127e-01 2.071e-01 -0.505 -0.684 -0.179 11.36 SO4-2 1.557e-01 2.528e-02 -0.808 -1.597 -0.790 41.17 @@ -14138,12 +13980,12 @@ S(6) 4.684e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -11.33 -14.46 -3.13 H2 + H2(g) -11.31 -14.45 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O - H2S(g) -21.67 -29.58 -7.91 H2S + H2S(g) -21.62 -29.54 -7.91 H2S Mirabilite -1.88 -2.39 -0.51 Na2SO4:10H2O - O2(g) -54.42 -57.43 -3.01 O2 - Sulfur -16.07 -11.63 4.44 S + O2(g) -54.45 -57.45 -3.01 O2 + Sulfur -16.04 -11.59 4.44 S Thenardite -1.91 -2.30 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14181,7 +14023,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = 8.722 Adjusted to redox equilibrium + pe = -0.873 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 84816 Density (g/cm³) = 1.04917 Volume (L) = 1.02083 @@ -14189,11 +14031,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.232e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.895e-16 + Total alkalinity (eq/kg) = 2.708e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 6.838e-12 + Electrical balance (eq) = 2.680e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 39 Total H = 1.110124e+02 Total O = 5.750622e+01 @@ -14205,19 +14047,18 @@ Reaction 1. OH- 6.692e-07 3.906e-07 -6.174 -6.408 -0.234 -1.88 H+ 1.364e-07 1.012e-07 -6.865 -6.995 -0.129 0.00 H2O 5.551e+01 9.803e-01 1.744 -0.009 0.000 18.19 -H(0) 3.587e-35 - H2 1.794e-35 2.168e-35 -34.746 -34.664 0.082 28.59 +H(0) 5.546e-16 + H2 2.773e-16 3.351e-16 -15.557 -15.475 0.082 28.59 Na 1.000e+00 Na+ 6.616e-01 4.706e-01 -0.179 -0.327 -0.148 0.27 NaSO4- 3.384e-01 2.232e-01 -0.471 -0.651 -0.181 11.84 - NaOH 1.521e-17 1.838e-17 -16.818 -16.736 0.082 (0) -O(0) 1.578e-17 - O2 7.888e-18 9.535e-18 -17.103 -17.021 0.082 31.67 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -103.170 -103.404 -0.234 22.10 - H2S 0.000e+00 0.000e+00 -103.753 -103.671 0.082 40.17 - S-2 0.000e+00 0.000e+00 -108.003 -108.770 -0.767 (0) - (H2S)2 0.000e+00 0.000e+00 -208.516 -208.433 0.082 29.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -55.481 -55.399 0.082 31.67 +S(-2) 4.869e-27 + HS- 3.861e-27 2.254e-27 -26.413 -26.647 -0.234 22.10 + H2S 1.008e-27 1.218e-27 -26.997 -26.914 0.082 40.17 + S-2 5.672e-32 9.707e-33 -31.246 -32.013 -0.767 (0) + (H2S)2 0.000e+00 0.000e+00 -55.002 -54.920 0.082 29.09 S(6) 5.000e-01 NaSO4- 3.384e-01 2.232e-01 -0.471 -0.651 -0.181 11.84 SO4-2 1.616e-01 2.564e-02 -0.792 -1.591 -0.800 41.81 @@ -14227,12 +14068,12 @@ S(6) 5.000e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -31.53 -34.66 -3.13 H2 + H2(g) -12.34 -15.47 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O - H2S(g) -102.48 -110.40 -7.91 H2S + H2S(g) -25.73 -33.64 -7.91 H2S Mirabilite -1.82 -2.33 -0.51 Na2SO4:10H2O - O2(g) -14.01 -17.02 -3.01 O2 - Sulfur -76.68 -72.24 4.44 S + O2(g) -52.39 -55.40 -3.01 O2 + Sulfur -19.11 -14.67 4.44 S Thenardite -1.85 -2.25 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14270,7 +14111,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.992 Charge balance - pe = -1.281 Adjusted to redox equilibrium + pe = -1.207 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 99552 Density (g/cm³) = 1.06343 Volume (L) = 1.02430 @@ -14278,9 +14119,9 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 9.950e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.442e-16 + Total alkalinity (eq/kg) = -8.759e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 7.464e-12 + Electrical balance (eq) = 6.074e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -14294,19 +14135,18 @@ Reaction 1. OH- 6.791e-07 3.867e-07 -6.168 -6.413 -0.245 -1.59 H+ 1.381e-07 1.018e-07 -6.860 -6.992 -0.133 0.00 H2O 5.551e+01 9.755e-01 1.744 -0.011 0.000 18.19 -H(0) 3.532e-15 - H2 1.766e-15 2.221e-15 -14.753 -14.654 0.099 28.59 +H(0) 2.510e-15 + H2 1.255e-15 1.578e-15 -14.901 -14.802 0.099 28.59 Na 1.257e+00 Na+ 8.117e-01 5.840e-01 -0.091 -0.234 -0.143 0.35 NaSO4- 4.452e-01 2.893e-01 -0.351 -0.539 -0.187 13.55 - NaOH 1.796e-17 2.258e-17 -16.746 -16.646 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.145 -57.046 0.099 31.67 -S(-2) 1.018e-23 - HS- 8.169e-24 4.651e-24 -23.088 -23.332 -0.245 22.21 - H2S 2.010e-24 2.528e-24 -23.697 -23.597 0.099 40.17 - S-2 1.244e-28 1.993e-29 -27.905 -28.701 -0.795 (0) - (H2S)2 0.000e+00 0.000e+00 -48.385 -48.286 0.099 29.09 + O2 0.000e+00 0.000e+00 -56.849 -56.749 0.099 31.67 +S(-2) 2.597e-24 + HS- 2.084e-24 1.187e-24 -23.681 -23.926 -0.245 22.21 + H2S 5.128e-25 6.449e-25 -24.290 -24.191 0.099 40.17 + S-2 3.174e-29 5.084e-30 -28.498 -29.294 -0.795 (0) + (H2S)2 0.000e+00 0.000e+00 -49.572 -49.472 0.099 29.09 S(6) 6.285e-01 NaSO4- 4.452e-01 2.893e-01 -0.351 -0.539 -0.187 13.55 SO4-2 1.833e-01 2.678e-02 -0.737 -1.572 -0.835 44.17 @@ -14316,12 +14156,12 @@ S(6) 6.285e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -11.52 -14.65 -3.13 H2 + H2(g) -11.67 -14.80 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O - H2S(g) -22.41 -30.32 -7.91 H2S + H2S(g) -23.00 -30.92 -7.91 H2S Mirabilite -1.64 -2.15 -0.51 Na2SO4:10H2O - O2(g) -54.04 -57.05 -3.01 O2 - Sulfur -16.62 -12.17 4.44 S + O2(g) -53.74 -56.75 -3.01 O2 + Sulfur -17.06 -12.62 4.44 S Thenardite -1.64 -2.04 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14359,7 +14199,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.990 Charge balance - pe = -1.359 Adjusted to redox equilibrium + pe = -1.362 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 107040 Density (g/cm³) = 1.07125 Volume (L) = 1.02630 @@ -14367,9 +14207,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.088e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.569e-18 + Total alkalinity (eq/kg) = 2.734e-16 Temperature (°C) = 45.00 - Electrical balance (eq) = 4.567e-12 + Electrical balance (eq) = 6.817e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -14383,19 +14223,18 @@ Reaction 1. OH- 6.815e-07 3.836e-07 -6.167 -6.416 -0.250 -1.44 H+ 1.394e-07 1.023e-07 -6.856 -6.990 -0.134 0.00 H2O 5.551e+01 9.729e-01 1.744 -0.012 0.000 18.19 -H(0) 5.001e-15 - H2 2.500e-15 3.212e-15 -14.602 -14.493 0.109 28.59 +H(0) 5.070e-15 + H2 2.535e-15 3.256e-15 -14.596 -14.487 0.109 28.59 Na 1.400e+00 Na+ 8.939e-01 6.481e-01 -0.049 -0.188 -0.140 0.39 NaSO4- 5.061e-01 3.267e-01 -0.296 -0.486 -0.190 14.38 - NaOH 1.935e-17 2.486e-17 -16.713 -16.605 0.109 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.477 -57.369 0.109 31.67 -S(-2) 4.636e-23 - HS- 3.740e-23 2.105e-23 -22.427 -22.677 -0.250 22.26 - H2S 8.953e-24 1.150e-23 -23.048 -22.939 0.109 40.17 - S-2 5.775e-28 8.972e-29 -27.238 -28.047 -0.809 (0) - (H2S)2 0.000e+00 0.000e+00 -47.078 -46.970 0.109 29.09 + O2 0.000e+00 0.000e+00 -57.489 -57.381 0.109 31.67 +S(-2) 4.897e-23 + HS- 3.951e-23 2.224e-23 -22.403 -22.653 -0.250 22.26 + H2S 9.457e-24 1.215e-23 -23.024 -22.915 0.109 40.17 + S-2 6.100e-28 9.477e-29 -27.215 -28.023 -0.809 (0) + (H2S)2 0.000e+00 0.000e+00 -47.031 -46.922 0.109 29.09 S(6) 7.000e-01 NaSO4- 5.061e-01 3.267e-01 -0.296 -0.486 -0.190 14.38 SO4-2 1.939e-01 2.725e-02 -0.712 -1.565 -0.852 45.35 @@ -14405,12 +14244,12 @@ S(6) 7.000e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -11.36 -14.49 -3.13 H2 + H2(g) -11.35 -14.49 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O - H2S(g) -21.75 -29.67 -7.91 H2S + H2S(g) -21.73 -29.64 -7.91 H2S Mirabilite -1.55 -2.06 -0.51 Na2SO4:10H2O - O2(g) -54.36 -57.37 -3.01 O2 - Sulfur -16.12 -11.68 4.44 S + O2(g) -54.37 -57.38 -3.01 O2 + Sulfur -16.10 -11.66 4.44 S Thenardite -1.54 -1.94 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14448,7 +14287,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.987 Charge balance - pe = 9.284 Adjusted to redox equilibrium + pe = 9.289 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 114446 Density (g/cm³) = 1.07942 Volume (L) = 1.02848 @@ -14456,9 +14295,9 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 1.184e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.788e-17 + Total alkalinity (eq/kg) = -6.074e-18 Temperature (°C) = 45.00 - Electrical balance (eq) = 4.141e-12 + Electrical balance (eq) = 4.153e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -14472,19 +14311,18 @@ Reaction 1. OH- 6.824e-07 3.799e-07 -6.166 -6.420 -0.254 -1.28 H+ 1.408e-07 1.030e-07 -6.852 -6.987 -0.136 0.00 H2O 5.551e+01 9.702e-01 1.744 -0.013 0.000 18.19 -H(0) 2.565e-36 - H2 1.283e-36 1.684e-36 -35.892 -35.774 0.118 28.59 +H(0) 2.504e-36 + H2 1.252e-36 1.645e-36 -35.902 -35.784 0.118 28.59 Na 1.551e+00 Na+ 9.797e-01 7.167e-01 -0.009 -0.145 -0.136 0.42 NaSO4- 5.713e-01 3.664e-01 -0.243 -0.436 -0.193 15.18 - NaOH 2.073e-17 2.722e-17 -16.683 -16.565 0.118 (0) -O(0) 2.356e-15 - O2 1.178e-15 1.547e-15 -14.929 -14.810 0.118 31.67 +O(0) 2.471e-15 + O2 1.236e-15 1.623e-15 -14.908 -14.790 0.118 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -107.530 -107.784 -0.254 22.31 - H2S 0.000e+00 0.000e+00 -108.162 -108.043 0.118 40.17 - S-2 0.000e+00 0.000e+00 -112.336 -113.157 -0.821 (0) - (H2S)2 0.000e+00 0.000e+00 -217.296 -217.178 0.118 29.09 + HS- 0.000e+00 0.000e+00 -107.571 -107.825 -0.254 22.31 + H2S 0.000e+00 0.000e+00 -108.203 -108.085 0.118 40.17 + S-2 0.000e+00 0.000e+00 -112.378 -113.199 -0.821 (0) + (H2S)2 0.000e+00 0.000e+00 -217.380 -217.261 0.118 29.09 S(6) 7.755e-01 NaSO4- 5.713e-01 3.664e-01 -0.243 -0.436 -0.193 15.18 SO4-2 2.042e-01 2.764e-02 -0.690 -1.558 -0.868 46.52 @@ -14494,12 +14332,12 @@ S(6) 7.755e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -32.64 -35.77 -3.13 H2 + H2(g) -32.65 -35.78 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O - H2S(g) -106.86 -114.77 -7.91 H2S + H2S(g) -106.90 -114.81 -7.91 H2S Mirabilite -1.47 -1.98 -0.51 Na2SO4:10H2O - O2(g) -11.80 -14.81 -3.01 O2 - Sulfur -79.95 -75.50 4.44 S + O2(g) -11.78 -14.79 -3.01 O2 + Sulfur -79.98 -75.53 4.44 S Thenardite -1.45 -1.85 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14537,7 +14375,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = 9.301 Adjusted to redox equilibrium + pe = 9.297 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 127037 Density (g/cm³) = 1.09444 Volume (L) = 1.03268 @@ -14545,7 +14383,7 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.359e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.275e-16 + Total alkalinity (eq/kg) = 2.332e-17 Temperature (°C) = 45.00 Electrical balance (eq) = 1.233e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -14561,19 +14399,18 @@ Reaction 1. OH- 6.803e-07 3.720e-07 -6.167 -6.429 -0.262 -1.00 H+ 1.437e-07 1.047e-07 -6.843 -6.980 -0.138 0.00 H2O 5.551e+01 9.651e-01 1.744 -0.015 0.000 18.19 -H(0) 2.351e-36 - H2 1.176e-36 1.608e-36 -35.930 -35.794 0.136 28.59 +H(0) 2.399e-36 + H2 1.200e-36 1.641e-36 -35.921 -35.785 0.136 28.59 Na 1.833e+00 Na+ 1.138e+00 8.478e-01 0.056 -0.072 -0.128 0.49 NaSO4- 6.954e-01 4.415e-01 -0.158 -0.355 -0.197 16.53 - NaOH 2.306e-17 3.154e-17 -16.637 -16.501 0.136 (0) -O(0) 2.458e-15 - O2 1.229e-15 1.681e-15 -14.910 -14.774 0.136 31.67 +O(0) 2.360e-15 + O2 1.180e-15 1.614e-15 -14.928 -14.792 0.136 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -107.579 -107.841 -0.262 22.40 - H2S 0.000e+00 0.000e+00 -108.230 -108.094 0.136 40.17 - S-2 0.000e+00 0.000e+00 -112.380 -113.221 -0.841 (0) - (H2S)2 0.000e+00 0.000e+00 -217.415 -217.279 0.136 29.09 + HS- 0.000e+00 0.000e+00 -107.544 -107.806 -0.262 22.40 + H2S 0.000e+00 0.000e+00 -108.195 -108.059 0.136 40.17 + S-2 0.000e+00 0.000e+00 -112.345 -113.186 -0.841 (0) + (H2S)2 0.000e+00 0.000e+00 -217.345 -217.209 0.136 29.09 S(6) 9.167e-01 NaSO4- 6.954e-01 4.415e-01 -0.158 -0.355 -0.197 16.53 SO4-2 2.213e-01 2.815e-02 -0.655 -1.550 -0.896 48.53 @@ -14583,12 +14420,12 @@ S(6) 9.167e-01 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -32.66 -35.79 -3.13 H2 + H2(g) -32.65 -35.79 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O - H2S(g) -106.91 -114.82 -7.91 H2S + H2S(g) -106.87 -114.79 -7.91 H2S Mirabilite -1.34 -1.85 -0.51 Na2SO4:10H2O - O2(g) -11.77 -14.77 -3.01 O2 - Sulfur -79.98 -75.53 4.44 S + O2(g) -11.78 -14.79 -3.01 O2 + Sulfur -79.95 -75.50 4.44 S Thenardite -1.30 -1.69 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14626,7 +14463,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = 9.123 Adjusted to redox equilibrium + pe = 7.643 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 133762 Density (g/cm³) = 1.10317 Volume (L) = 1.03524 @@ -14634,11 +14471,11 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.461e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.426e-16 + Total alkalinity (eq/kg) = 8.559e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 8.045e-12 + Electrical balance (eq) = 5.157e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 58 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.950622e+01 @@ -14650,19 +14487,18 @@ Reaction 1. OH- 6.774e-07 3.670e-07 -6.169 -6.435 -0.266 -0.84 H+ 1.455e-07 1.057e-07 -6.837 -6.976 -0.139 0.00 H2O 5.551e+01 9.621e-01 1.744 -0.017 0.000 18.19 -H(0) 5.336e-36 - H2 2.668e-36 3.734e-36 -35.574 -35.428 0.146 28.59 +H(0) 4.846e-33 + H2 2.423e-33 3.392e-33 -32.616 -32.470 0.146 28.59 Na 2.000e+00 Na+ 1.230e+00 9.272e-01 0.090 -0.033 -0.123 0.53 NaSO4- 7.697e-01 4.862e-01 -0.114 -0.313 -0.200 17.25 - NaOH 2.431e-17 3.403e-17 -16.614 -16.468 0.146 (0) -O(0) 4.423e-16 - O2 2.211e-16 3.095e-16 -15.655 -15.509 0.146 31.67 +O(0) 5.361e-22 + O2 2.681e-22 3.752e-22 -21.572 -21.426 0.146 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -106.098 -106.364 -0.266 22.45 - H2S 0.000e+00 0.000e+00 -106.758 -106.612 0.146 40.17 - S-2 0.000e+00 0.000e+00 -110.897 -111.749 -0.851 (0) - (H2S)2 0.000e+00 0.000e+00 -214.462 -214.316 0.146 29.09 + HS- 0.000e+00 0.000e+00 -94.265 -94.531 -0.266 22.45 + H2S 0.000e+00 0.000e+00 -94.926 -94.780 0.146 40.17 + S-2 0.000e+00 0.000e+00 -99.065 -99.916 -0.851 (0) + (H2S)2 0.000e+00 0.000e+00 -190.796 -190.650 0.146 29.09 S(6) 1.000e+00 NaSO4- 7.697e-01 4.862e-01 -0.114 -0.313 -0.200 17.25 SO4-2 2.303e-01 2.835e-02 -0.638 -1.548 -0.910 49.63 @@ -14672,12 +14508,12 @@ S(6) 1.000e+00 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -32.29 -35.43 -3.13 H2 + H2(g) -29.34 -32.47 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O - H2S(g) -105.43 -113.34 -7.91 H2S + H2S(g) -93.59 -101.51 -7.91 H2S Mirabilite -1.27 -1.78 -0.51 Na2SO4:10H2O - O2(g) -12.50 -15.51 -3.01 O2 - Sulfur -78.86 -74.42 4.44 S + O2(g) -18.42 -21.43 -3.01 O2 + Sulfur -69.99 -65.54 4.44 S Thenardite -1.22 -1.61 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14715,7 +14551,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -1.377 Adjusted to redox equilibrium + pe = -1.383 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 147998 Density (g/cm³) = 1.12371 Volume (L) = 1.04160 @@ -14723,9 +14559,9 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.698e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.404e-17 + Total alkalinity (eq/kg) = 3.259e-16 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.130e-10 + Electrical balance (eq) = 1.622e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -14739,19 +14575,18 @@ Reaction 1. OH- 6.670e-07 3.546e-07 -6.176 -6.450 -0.274 -0.48 H+ 1.503e-07 1.087e-07 -6.823 -6.964 -0.141 0.00 H2O 5.551e+01 9.550e-01 1.744 -0.020 0.000 18.19 -H(0) 5.313e-15 - H2 2.657e-15 3.928e-15 -14.576 -14.406 0.170 28.59 +H(0) 5.465e-15 + H2 2.732e-15 4.040e-15 -14.563 -14.394 0.170 28.59 Na 2.400e+00 Na+ 1.449e+00 1.124e+00 0.161 0.051 -0.110 0.60 NaSO4- 9.509e-01 5.942e-01 -0.022 -0.226 -0.204 18.79 - NaOH 2.696e-17 3.986e-17 -16.569 -16.399 0.170 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.729 -57.560 0.170 31.67 -S(-2) 1.284e-22 - HS- 1.062e-22 5.647e-23 -21.974 -22.248 -0.274 22.55 - H2S 2.216e-23 3.276e-23 -22.654 -22.485 0.170 40.17 - S-2 1.690e-27 2.266e-28 -26.772 -27.645 -0.872 (0) - (H2S)2 0.000e+00 0.000e+00 -46.230 -46.060 0.170 29.09 + O2 0.000e+00 0.000e+00 -57.754 -57.584 0.170 31.67 +S(-2) 1.436e-22 + HS- 1.188e-22 6.318e-23 -21.925 -22.199 -0.274 22.55 + H2S 2.479e-23 3.666e-23 -22.606 -22.436 0.170 40.17 + S-2 1.890e-27 2.536e-28 -26.723 -27.596 -0.872 (0) + (H2S)2 0.000e+00 0.000e+00 -46.133 -45.963 0.170 29.09 S(6) 1.200e+00 NaSO4- 9.509e-01 5.942e-01 -0.022 -0.226 -0.204 18.79 SO4-2 2.491e-01 2.858e-02 -0.604 -1.544 -0.940 52.05 @@ -14761,12 +14596,12 @@ S(6) 1.200e+00 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -11.27 -14.41 -3.13 H2 + H2(g) -11.26 -14.39 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O - H2S(g) -21.30 -29.21 -7.91 H2S + H2S(g) -21.25 -29.16 -7.91 H2S Mirabilite -1.13 -1.64 -0.51 Na2SO4:10H2O - O2(g) -54.55 -57.56 -3.01 O2 - Sulfur -15.75 -11.31 4.44 S + O2(g) -54.58 -57.58 -3.01 O2 + Sulfur -15.72 -11.27 4.44 S Thenardite -1.05 -1.44 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14804,7 +14639,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = 9.101 Adjusted to redox equilibrium + pe = 9.352 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 150923 Density (g/cm³) = 1.12836 Volume (L) = 1.04310 @@ -14812,11 +14647,11 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.752e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.139e-17 + Total alkalinity (eq/kg) = 2.675e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.127e-10 + Electrical balance (eq) = 6.257e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 35 + Iterations = 17 Total H = 1.110124e+02 Total O = 6.049046e+01 @@ -14828,19 +14663,18 @@ Reaction 1. OH- 6.641e-07 3.516e-07 -6.178 -6.454 -0.276 -0.39 H+ 1.515e-07 1.094e-07 -6.820 -6.961 -0.141 0.00 H2O 5.551e+01 9.533e-01 1.744 -0.021 0.000 18.19 -H(0) 5.907e-36 - H2 2.953e-36 4.421e-36 -35.530 -35.354 0.175 28.59 +H(0) 1.858e-36 + H2 9.292e-37 1.391e-36 -36.032 -35.857 0.175 28.59 Na 2.492e+00 Na+ 1.499e+00 1.171e+00 0.176 0.069 -0.107 0.62 NaSO4- 9.931e-01 6.193e-01 -0.003 -0.208 -0.205 19.11 - NaOH 2.751e-17 4.118e-17 -16.561 -16.385 0.175 (0) -O(0) 2.898e-16 - O2 1.449e-16 2.169e-16 -15.839 -15.664 0.175 31.67 +O(0) 2.927e-15 + O2 1.463e-15 2.191e-15 -14.835 -14.659 0.175 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -105.761 -106.037 -0.276 22.58 - H2S 0.000e+00 0.000e+00 -106.446 -106.270 0.175 40.17 - S-2 0.000e+00 0.000e+00 -110.559 -111.436 -0.877 (0) - (H2S)2 0.000e+00 0.000e+00 -213.807 -213.632 0.175 29.09 + HS- 0.000e+00 0.000e+00 -107.769 -108.046 -0.276 22.58 + H2S 0.000e+00 0.000e+00 -108.454 -108.279 0.175 40.17 + S-2 0.000e+00 0.000e+00 -112.568 -113.445 -0.877 (0) + (H2S)2 0.000e+00 0.000e+00 -217.825 -217.649 0.175 29.09 S(6) 1.246e+00 NaSO4- 9.931e-01 6.193e-01 -0.003 -0.208 -0.205 19.11 SO4-2 2.530e-01 2.859e-02 -0.597 -1.544 -0.947 52.57 @@ -14850,12 +14684,12 @@ S(6) 1.246e+00 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -32.22 -35.35 -3.13 H2 + H2(g) -32.72 -35.86 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O - H2S(g) -105.08 -113.00 -7.91 H2S + H2S(g) -107.09 -115.01 -7.91 H2S Mirabilite -1.11 -1.61 -0.51 Na2SO4:10H2O - O2(g) -12.66 -15.66 -3.01 O2 - Sulfur -78.59 -74.15 4.44 S + O2(g) -11.65 -14.66 -3.01 O2 + Sulfur -80.10 -75.65 4.44 S Thenardite -1.01 -1.41 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14893,7 +14727,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = -1.311 Adjusted to redox equilibrium + pe = -1.403 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 156135 Density (g/cm³) = 1.13710 Volume (L) = 1.04599 @@ -14901,9 +14735,9 @@ Reaction 1. Activity of water = 0.950 Ionic strength (mol/kgw) = 1.853e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.377e-16 + Total alkalinity (eq/kg) = -9.075e-17 Temperature (°C) = 45.00 - Electrical balance (eq) = 2.463e-10 + Electrical balance (eq) = 2.009e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -14917,19 +14751,18 @@ Reaction 1. OH- 6.581e-07 3.461e-07 -6.182 -6.461 -0.279 -0.24 H+ 1.537e-07 1.108e-07 -6.813 -6.956 -0.142 0.00 H2O 5.551e+01 9.502e-01 1.744 -0.022 0.000 18.19 -H(0) 3.946e-15 - H2 1.973e-15 3.023e-15 -14.705 -14.520 0.185 28.59 +H(0) 6.006e-15 + H2 3.003e-15 4.601e-15 -14.522 -14.337 0.185 28.59 Na 2.667e+00 Na+ 1.593e+00 1.261e+00 0.202 0.101 -0.101 0.65 NaSO4- 1.074e+00 6.669e-01 0.031 -0.176 -0.207 19.71 - NaOH 2.849e-17 4.365e-17 -16.545 -16.360 0.185 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.522 -57.337 0.185 31.67 -S(-2) 4.716e-23 - HS- 3.920e-23 2.062e-23 -22.407 -22.686 -0.279 22.62 - H2S 7.958e-24 1.219e-23 -23.099 -22.914 0.185 40.17 - S-2 6.219e-28 8.115e-29 -27.206 -28.091 -0.884 (0) - (H2S)2 0.000e+00 0.000e+00 -47.104 -46.919 0.185 29.09 + O2 0.000e+00 0.000e+00 -57.887 -57.701 0.185 31.67 +S(-2) 2.529e-22 + HS- 2.103e-22 1.106e-22 -21.677 -21.956 -0.279 22.62 + H2S 4.268e-23 6.539e-23 -22.370 -22.184 0.185 40.17 + S-2 3.335e-27 4.352e-28 -26.477 -27.361 -0.884 (0) + (H2S)2 0.000e+00 0.000e+00 -45.645 -45.460 0.185 29.09 S(6) 1.333e+00 NaSO4- 1.074e+00 6.669e-01 0.031 -0.176 -0.207 19.71 SO4-2 2.598e-01 2.858e-02 -0.585 -1.544 -0.959 53.53 @@ -14939,12 +14772,12 @@ S(6) 1.333e+00 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -11.39 -14.52 -3.13 H2 + H2(g) -11.20 -14.34 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O - H2S(g) -21.73 -29.64 -7.91 H2S + H2S(g) -21.00 -28.91 -7.91 H2S Mirabilite -1.06 -1.56 -0.51 Na2SO4:10H2O - O2(g) -54.33 -57.34 -3.01 O2 - Sulfur -16.07 -11.63 4.44 S + O2(g) -54.69 -57.70 -3.01 O2 + Sulfur -15.52 -11.08 4.44 S Thenardite -0.95 -1.34 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -14982,7 +14815,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 9.427 Adjusted to redox equilibrium + pe = 9.373 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 160750 Density (g/cm³) = 1.14541 Volume (L) = 1.04882 @@ -14990,11 +14823,11 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.949e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.331e-16 + Total alkalinity (eq/kg) = -3.395e-16 Temperature (°C) = 45.00 - Electrical balance (eq) = 9.391e-11 + Electrical balance (eq) = 1.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 44 Total H = 1.110124e+02 Total O = 6.117570e+01 @@ -15006,19 +14839,18 @@ Reaction 1. OH- 6.520e-07 3.407e-07 -6.186 -6.468 -0.282 -0.10 H+ 1.559e-07 1.122e-07 -6.807 -6.950 -0.143 0.00 H2O 5.551e+01 9.473e-01 1.744 -0.024 0.000 18.19 -H(0) 1.319e-36 - H2 6.594e-37 1.033e-36 -36.181 -35.986 0.195 28.59 +H(0) 1.690e-36 + H2 8.448e-37 1.323e-36 -36.073 -35.878 0.195 28.59 Na 2.835e+00 Na+ 1.683e+00 1.350e+00 0.226 0.130 -0.096 0.68 NaSO4- 1.151e+00 7.128e-01 0.061 -0.147 -0.208 20.25 - NaOH 2.936e-17 4.600e-17 -16.532 -16.337 0.195 (0) -O(0) 5.008e-15 - O2 2.504e-15 3.922e-15 -14.601 -14.406 0.195 31.67 +O(0) 3.051e-15 + O2 1.525e-15 2.390e-15 -14.817 -14.622 0.195 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -108.259 -108.541 -0.282 22.66 - H2S 0.000e+00 0.000e+00 -108.959 -108.764 0.195 40.17 - S-2 0.000e+00 0.000e+00 -113.060 -113.951 -0.891 (0) - (H2S)2 0.000e+00 0.000e+00 -218.814 -218.619 0.195 29.09 + HS- 0.000e+00 0.000e+00 -107.829 -108.111 -0.282 22.66 + H2S 0.000e+00 0.000e+00 -108.528 -108.333 0.195 40.17 + S-2 0.000e+00 0.000e+00 -112.630 -113.521 -0.891 (0) + (H2S)2 0.000e+00 0.000e+00 -217.953 -217.758 0.195 29.09 S(6) 1.417e+00 NaSO4- 1.151e+00 7.128e-01 0.061 -0.147 -0.208 20.25 SO4-2 2.659e-01 2.855e-02 -0.575 -1.544 -0.969 54.41 @@ -15028,12 +14860,12 @@ S(6) 1.417e+00 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -32.85 -35.99 -3.13 H2 + H2(g) -32.75 -35.88 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O - H2S(g) -107.58 -115.49 -7.91 H2S + H2S(g) -107.15 -115.06 -7.91 H2S Mirabilite -1.01 -1.52 -0.51 Na2SO4:10H2O - O2(g) -11.40 -14.41 -3.01 O2 - Sulfur -80.45 -76.01 4.44 S + O2(g) -11.61 -14.62 -3.01 O2 + Sulfur -80.13 -75.69 4.44 S Thenardite -0.89 -1.28 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15071,7 +14903,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.939 Charge balance - pe = 9.364 Adjusted to redox equilibrium + pe = 9.389 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 168972 Density (g/cm³) = 1.16191 Volume (L) = 1.05466 @@ -15079,9 +14911,9 @@ Reaction 1. Activity of water = 0.941 Ionic strength (mol/kgw) = 2.141e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.275e-16 + Total alkalinity (eq/kg) = 1.055e-16 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.069e-10 + Electrical balance (eq) = 1.068e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -15095,19 +14927,18 @@ Reaction 1. OH- 6.388e-07 3.300e-07 -6.195 -6.482 -0.287 0.19 H+ 1.604e-07 1.151e-07 -6.795 -6.939 -0.144 0.00 H2O 5.551e+01 9.413e-01 1.744 -0.026 0.000 18.19 -H(0) 1.777e-36 - H2 8.884e-37 1.454e-36 -36.051 -35.837 0.214 28.59 +H(0) 1.582e-36 + H2 7.912e-37 1.295e-36 -36.102 -35.888 0.214 28.59 Na 3.174e+00 Na+ 1.864e+00 1.535e+00 0.270 0.186 -0.084 0.74 NaSO4- 1.310e+00 8.060e-01 0.117 -0.094 -0.211 21.27 - NaOH 3.095e-17 5.066e-17 -16.509 -16.295 0.214 (0) -O(0) 2.386e-15 - O2 1.193e-15 1.953e-15 -14.923 -14.709 0.214 31.67 +O(0) 3.009e-15 + O2 1.504e-15 2.463e-15 -14.823 -14.609 0.214 31.67 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -107.640 -107.927 -0.287 22.74 - H2S 0.000e+00 0.000e+00 -108.353 -108.139 0.214 40.17 - S-2 0.000e+00 0.000e+00 -112.445 -113.349 -0.904 (0) - (H2S)2 0.000e+00 0.000e+00 -217.582 -217.368 0.214 29.09 + HS- 0.000e+00 0.000e+00 -107.841 -108.128 -0.287 22.74 + H2S 0.000e+00 0.000e+00 -108.554 -108.340 0.214 40.17 + S-2 0.000e+00 0.000e+00 -112.646 -113.550 -0.904 (0) + (H2S)2 0.000e+00 0.000e+00 -217.985 -217.771 0.214 29.09 S(6) 1.587e+00 NaSO4- 1.310e+00 8.060e-01 0.117 -0.094 -0.211 21.27 SO4-2 2.769e-01 2.838e-02 -0.558 -1.547 -0.989 56.11 @@ -15117,12 +14948,12 @@ S(6) 1.587e+00 Phase SI** log IAP log K(318 K, 1 atm) - H2(g) -32.70 -35.84 -3.13 H2 + H2(g) -32.75 -35.89 -3.13 H2 H2O(g) -1.05 -0.03 1.03 H2O - H2S(g) -106.95 -114.87 -7.91 H2S + H2S(g) -107.15 -115.07 -7.91 H2S Mirabilite -0.93 -1.44 -0.51 Na2SO4:10H2O - O2(g) -11.70 -14.71 -3.01 O2 - Sulfur -79.98 -75.53 4.44 S + O2(g) -11.60 -14.61 -3.01 O2 + Sulfur -80.13 -75.68 4.44 S Thenardite -0.78 -1.17 -0.40 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15264,7 +15095,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.810 Charge balance - pe = 8.741 Adjusted to redox equilibrium + pe = 8.742 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 15475 Density (g/cm³) = 0.99188 Volume (L) = 1.01535 @@ -15272,9 +15103,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.151e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.512e-18 + Total alkalinity (eq/kg) = 3.358e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = 6.168e-12 + Electrical balance (eq) = 7.836e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15288,19 +15119,18 @@ Reaction 1. OH- 6.378e-07 4.714e-07 -6.195 -6.327 -0.131 -3.35 H+ 1.909e-07 1.549e-07 -6.719 -6.810 -0.091 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.28 -H(0) 8.300e-35 - H2 4.150e-35 4.261e-35 -34.382 -34.370 0.012 28.58 +H(0) 8.261e-35 + H2 4.130e-35 4.241e-35 -34.384 -34.373 0.012 28.58 Na 1.000e-01 Na+ 8.253e-02 6.320e-02 -1.083 -1.199 -0.116 -0.01 NaSO4- 1.747e-02 1.347e-02 -1.758 -1.871 -0.113 -1.49 - NaOH 2.902e-18 2.980e-18 -17.537 -17.526 0.012 (0) -O(0) 2.787e-15 - O2 1.393e-15 1.431e-15 -14.856 -14.844 0.012 32.16 +O(0) 2.813e-15 + O2 1.407e-15 1.444e-15 -14.852 -14.840 0.012 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -103.426 -103.557 -0.131 21.51 - H2S 0.000e+00 0.000e+00 -103.726 -103.715 0.012 41.61 - S-2 0.000e+00 0.000e+00 -108.386 -108.854 -0.468 (0) - (H2S)2 0.000e+00 0.000e+00 -208.460 -208.448 0.012 28.46 + HS- 0.000e+00 0.000e+00 -103.434 -103.565 -0.131 21.51 + H2S 0.000e+00 0.000e+00 -103.734 -103.723 0.012 41.61 + S-2 0.000e+00 0.000e+00 -108.394 -108.862 -0.468 (0) + (H2S)2 0.000e+00 0.000e+00 -208.476 -208.464 0.012 28.46 S(6) 5.000e-02 SO4-2 3.253e-02 1.096e-02 -1.488 -1.960 -0.473 26.26 NaSO4- 1.747e-02 1.347e-02 -1.758 -1.871 -0.113 -1.49 @@ -15312,10 +15142,10 @@ S(6) 5.000e-02 H2(g) -31.23 -34.37 -3.14 H2 H2O(g) -0.81 -0.00 0.81 H2O - H2S(g) -102.45 -110.37 -7.92 H2S + H2S(g) -102.46 -110.37 -7.92 H2S Mirabilite -4.13 -4.37 -0.24 Na2SO4:10H2O - O2(g) -11.80 -14.84 -3.05 O2 - Sulfur -76.86 -72.61 4.25 S + O2(g) -11.79 -14.84 -3.05 O2 + Sulfur -76.86 -72.62 4.25 S Thenardite -3.91 -4.36 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15353,7 +15183,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.852 Charge balance - pe = -1.088 Adjusted to redox equilibrium + pe = -1.082 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 27878 Density (g/cm³) = 0.99797 Volume (L) = 1.01627 @@ -15361,9 +15191,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.104e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.144e-16 + Total alkalinity (eq/kg) = -2.775e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 4.116e-11 + Electrical balance (eq) = 1.536e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15377,19 +15207,18 @@ Reaction 1. OH- 7.516e-07 5.184e-07 -6.124 -6.285 -0.161 -3.09 H+ 1.787e-07 1.406e-07 -6.748 -6.852 -0.104 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.28 -H(0) 3.046e-15 - H2 1.523e-15 1.599e-15 -14.817 -14.796 0.021 28.58 +H(0) 2.969e-15 + H2 1.485e-15 1.558e-15 -14.828 -14.807 0.021 28.58 Na 2.000e-01 Na+ 1.552e-01 1.137e-01 -0.809 -0.944 -0.135 0.11 NaSO4- 4.479e-02 3.286e-02 -1.349 -1.483 -0.135 2.11 - NaOH 5.614e-18 5.892e-18 -17.251 -17.230 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.016 -53.995 0.021 32.16 -S(-2) 1.400e-25 - HS- 9.894e-26 6.823e-26 -25.005 -25.166 -0.161 21.66 - H2S 4.102e-26 4.305e-26 -25.387 -25.366 0.021 41.61 - S-2 1.382e-30 3.792e-31 -29.860 -30.421 -0.561 (0) - (H2S)2 0.000e+00 0.000e+00 -51.772 -51.751 0.021 28.46 + O2 0.000e+00 0.000e+00 -53.994 -53.973 0.021 32.16 +S(-2) 1.264e-25 + HS- 8.936e-26 6.163e-26 -25.049 -25.210 -0.161 21.66 + H2S 3.704e-26 3.888e-26 -25.431 -25.410 0.021 41.61 + S-2 1.248e-30 3.425e-31 -29.904 -30.465 -0.561 (0) + (H2S)2 0.000e+00 0.000e+00 -51.860 -51.839 0.021 28.46 S(6) 1.000e-01 SO4-2 5.521e-02 1.486e-02 -1.258 -1.828 -0.570 29.58 NaSO4- 4.479e-02 3.286e-02 -1.349 -1.483 -0.135 2.11 @@ -15399,12 +15228,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.66 -14.80 -3.14 H2 + H2(g) -11.67 -14.81 -3.14 H2 H2O(g) -0.81 -0.00 0.81 H2O - H2S(g) -24.10 -32.02 -7.92 H2S + H2S(g) -24.15 -32.06 -7.92 H2S Mirabilite -3.50 -3.74 -0.24 Na2SO4:10H2O - O2(g) -50.95 -53.99 -3.05 O2 - Sulfur -18.08 -13.84 4.25 S + O2(g) -50.92 -53.97 -3.05 O2 + Sulfur -18.12 -13.87 4.25 S Thenardite -3.27 -3.72 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15442,7 +15271,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.865 Charge balance - pe = -1.105 Adjusted to redox equilibrium + pe = -1.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 34104 Density (g/cm³) = 1.00128 Volume (L) = 1.01681 @@ -15450,9 +15279,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.592e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.772e-17 + Total alkalinity (eq/kg) = -1.455e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = 5.330e-11 + Electrical balance (eq) = 5.891e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15466,19 +15295,18 @@ Reaction 1. OH- 7.934e-07 5.333e-07 -6.101 -6.273 -0.172 -2.98 H+ 1.753e-07 1.365e-07 -6.756 -6.865 -0.109 0.00 H2O 5.551e+01 9.945e-01 1.744 -0.002 0.000 18.28 -H(0) 3.068e-15 - H2 1.534e-15 1.628e-15 -14.814 -14.788 0.026 28.58 +H(0) 3.215e-15 + H2 1.607e-15 1.706e-15 -14.794 -14.768 0.026 28.58 Na 2.549e-01 Na+ 1.933e-01 1.397e-01 -0.714 -0.855 -0.141 0.16 NaSO4- 6.159e-02 4.440e-02 -1.210 -1.353 -0.142 3.47 - NaOH 7.017e-18 7.448e-18 -17.154 -17.128 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.037 -54.012 0.026 32.16 -S(-2) 1.626e-25 - HS- 1.172e-25 7.876e-26 -24.931 -25.104 -0.172 21.73 - H2S 4.545e-26 4.825e-26 -25.342 -25.317 0.026 41.61 - S-2 1.774e-30 4.508e-31 -29.751 -30.346 -0.595 (0) - (H2S)2 0.000e+00 0.000e+00 -51.678 -51.652 0.026 28.46 + O2 0.000e+00 0.000e+00 -54.078 -54.052 0.026 32.16 +S(-2) 1.961e-25 + HS- 1.413e-25 9.500e-26 -24.850 -25.022 -0.172 21.73 + H2S 5.482e-26 5.819e-26 -25.261 -25.235 0.026 41.61 + S-2 2.139e-30 5.438e-31 -29.670 -30.265 -0.595 (0) + (H2S)2 0.000e+00 0.000e+00 -51.515 -51.489 0.026 28.46 S(6) 1.275e-01 SO4-2 6.585e-02 1.634e-02 -1.181 -1.787 -0.605 30.96 NaSO4- 6.159e-02 4.440e-02 -1.210 -1.353 -0.142 3.47 @@ -15488,12 +15316,12 @@ S(6) 1.275e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.65 -14.79 -3.14 H2 + H2(g) -11.63 -14.77 -3.14 H2 H2O(g) -0.81 -0.00 0.81 H2O - H2S(g) -24.05 -31.97 -7.92 H2S + H2S(g) -23.97 -31.89 -7.92 H2S Mirabilite -3.28 -3.52 -0.24 Na2SO4:10H2O - O2(g) -50.96 -54.01 -3.05 O2 - Sulfur -18.04 -13.80 4.25 S + O2(g) -51.00 -54.05 -3.05 O2 + Sulfur -17.98 -13.74 4.25 S Thenardite -3.05 -3.50 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15531,7 +15359,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.893 Charge balance - pe = -1.253 Adjusted to redox equilibrium + pe = -1.241 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 59683 Density (g/cm³) = 1.01634 Volume (L) = 1.01956 @@ -15539,9 +15367,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.668e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.236e-17 + Total alkalinity (eq/kg) = 5.536e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = -6.745e-15 + Electrical balance (eq) = -8.160e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15555,19 +15383,18 @@ Reaction 1. OH- 9.086e-07 5.664e-07 -6.042 -6.247 -0.205 -2.53 H+ 1.690e-07 1.279e-07 -6.772 -6.893 -0.121 0.00 H2O 5.551e+01 9.895e-01 1.744 -0.005 0.000 18.28 -H(0) 5.075e-15 - H2 2.538e-15 2.826e-15 -14.596 -14.549 0.047 28.58 +H(0) 4.803e-15 + H2 2.402e-15 2.674e-15 -14.620 -14.573 0.047 28.58 Na 5.100e-01 Na+ 3.609e-01 2.538e-01 -0.443 -0.596 -0.153 0.32 NaSO4- 1.491e-01 1.022e-01 -0.827 -0.990 -0.164 7.70 - NaOH 1.291e-17 1.437e-17 -16.889 -16.842 0.047 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.541 -54.495 0.047 32.16 -S(-2) 1.835e-24 - HS- 1.389e-24 8.656e-25 -23.857 -24.063 -0.205 21.95 - H2S 4.462e-25 4.968e-25 -24.350 -24.304 0.047 41.61 - S-2 2.590e-29 5.289e-30 -28.587 -29.277 -0.690 (0) - (H2S)2 0.000e+00 0.000e+00 -49.673 -49.626 0.047 28.46 + O2 0.000e+00 0.000e+00 -54.494 -54.447 0.047 32.16 +S(-2) 1.472e-24 + HS- 1.114e-24 6.944e-25 -23.953 -24.158 -0.205 21.95 + H2S 3.579e-25 3.985e-25 -24.446 -24.400 0.047 41.61 + S-2 2.078e-29 4.242e-30 -28.682 -29.372 -0.690 (0) + (H2S)2 0.000e+00 0.000e+00 -49.865 -49.818 0.047 28.46 S(6) 2.550e-01 NaSO4- 1.491e-01 1.022e-01 -0.827 -0.990 -0.164 7.70 SO4-2 1.059e-01 2.072e-02 -0.975 -1.684 -0.709 35.64 @@ -15577,12 +15404,12 @@ S(6) 2.550e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.41 -14.55 -3.14 H2 + H2(g) -11.43 -14.57 -3.14 H2 H2O(g) -0.82 -0.00 0.81 H2O - H2S(g) -23.04 -30.96 -7.92 H2S + H2S(g) -23.14 -31.05 -7.92 H2S Mirabilite -2.69 -2.92 -0.24 Na2SO4:10H2O - O2(g) -51.45 -54.49 -3.05 O2 - Sulfur -17.27 -13.02 4.25 S + O2(g) -51.40 -54.45 -3.05 O2 + Sulfur -17.34 -13.09 4.25 S Thenardite -2.43 -2.87 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15620,7 +15447,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.902 Charge balance - pe = -1.273 Adjusted to redox equilibrium + pe = -1.292 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 81926 Density (g/cm³) = 1.03131 Volume (L) = 1.02270 @@ -15628,9 +15455,9 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 6.596e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.329e-17 + Total alkalinity (eq/kg) = -3.024e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = -2.509e-14 + Electrical balance (eq) = -2.082e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15644,19 +15471,18 @@ Reaction 1. OH- 9.652e-07 5.747e-07 -6.015 -6.241 -0.225 -2.16 H+ 1.682e-07 1.254e-07 -6.774 -6.902 -0.128 0.00 H2O 5.551e+01 9.846e-01 1.744 -0.007 0.000 18.28 -H(0) 5.130e-15 - H2 2.565e-15 2.986e-15 -14.591 -14.525 0.066 28.58 +H(0) 5.606e-15 + H2 2.803e-15 3.263e-15 -14.552 -14.486 0.066 28.58 Na 7.704e-01 Na+ 5.224e-01 3.662e-01 -0.282 -0.436 -0.154 0.43 NaSO4- 2.480e-01 1.653e-01 -0.606 -0.782 -0.176 10.46 - NaOH 1.808e-17 2.105e-17 -16.743 -16.677 0.066 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.613 -54.547 0.066 32.16 -S(-2) 2.616e-24 - HS- 2.031e-24 1.209e-24 -23.692 -23.917 -0.225 22.11 - H2S 5.847e-25 6.806e-25 -24.233 -24.167 0.066 41.61 - S-2 4.191e-29 7.535e-30 -28.378 -29.123 -0.745 (0) - (H2S)2 0.000e+00 0.000e+00 -49.419 -49.353 0.066 28.46 + O2 0.000e+00 0.000e+00 -54.690 -54.624 0.066 32.16 +S(-2) 3.731e-24 + HS- 2.897e-24 1.725e-24 -23.538 -23.763 -0.225 22.11 + H2S 8.340e-25 9.708e-25 -24.079 -24.013 0.066 41.61 + S-2 5.978e-29 1.075e-29 -28.223 -28.969 -0.745 (0) + (H2S)2 0.000e+00 0.000e+00 -49.111 -49.045 0.066 28.46 S(6) 3.852e-01 NaSO4- 2.480e-01 1.653e-01 -0.606 -0.782 -0.176 10.46 SO4-2 1.372e-01 2.321e-02 -0.863 -1.634 -0.772 39.04 @@ -15666,12 +15492,12 @@ S(6) 3.852e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.39 -14.52 -3.14 H2 + H2(g) -11.35 -14.49 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -22.90 -30.82 -7.92 H2S + H2S(g) -22.75 -30.66 -7.92 H2S Mirabilite -2.34 -2.57 -0.24 Na2SO4:10H2O - O2(g) -51.50 -54.55 -3.05 O2 - Sulfur -17.16 -12.91 4.25 S + O2(g) -51.58 -54.62 -3.05 O2 + Sulfur -17.04 -12.79 4.25 S Thenardite -2.06 -2.51 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15709,7 +15535,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.903 Charge balance - pe = 7.516 Adjusted to redox equilibrium + pe = -0.782 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 99200 Density (g/cm³) = 1.04422 Volume (L) = 1.02567 @@ -15717,11 +15543,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.196e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.764e-16 + Total alkalinity (eq/kg) = -9.288e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = 1.427e-13 + Electrical balance (eq) = 4.503e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 39 Total H = 1.110124e+02 Total O = 5.750622e+01 @@ -15733,19 +15559,18 @@ Reaction 1. OH- 9.915e-07 5.735e-07 -6.004 -6.241 -0.238 -1.87 H+ 1.694e-07 1.251e-07 -6.771 -6.903 -0.132 0.00 H2O 5.551e+01 9.803e-01 1.744 -0.009 0.000 18.28 -H(0) 1.302e-32 - H2 6.509e-33 7.861e-33 -32.186 -32.105 0.082 28.58 +H(0) 5.124e-16 + H2 2.562e-16 3.094e-16 -15.591 -15.509 0.082 28.58 Na 1.000e+00 Na+ 6.598e-01 4.651e-01 -0.181 -0.332 -0.152 0.50 NaSO4- 3.402e-01 2.228e-01 -0.468 -0.652 -0.184 12.31 - NaOH 2.209e-17 2.667e-17 -16.656 -16.574 0.082 (0) -O(0) 6.721e-20 - O2 3.360e-20 4.058e-20 -19.474 -19.392 0.082 32.16 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -93.965 -94.203 -0.238 22.22 - H2S 0.000e+00 0.000e+00 -94.536 -94.454 0.082 41.61 - S-2 0.000e+00 0.000e+00 -98.628 -99.408 -0.779 (0) - (H2S)2 0.000e+00 0.000e+00 -190.008 -189.927 0.082 28.46 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -52.664 -52.582 0.082 32.16 +S(-2) 3.298e-28 + HS- 2.599e-28 1.503e-28 -27.585 -27.823 -0.238 22.22 + H2S 6.990e-29 8.442e-29 -28.156 -28.074 0.082 41.61 + S-2 5.649e-33 9.389e-34 -32.248 -33.027 -0.779 (0) + (H2S)2 0.000e+00 0.000e+00 -57.248 -57.166 0.082 28.46 S(6) 5.000e-01 NaSO4- 3.402e-01 2.228e-01 -0.468 -0.652 -0.184 12.31 SO4-2 1.598e-01 2.463e-02 -0.796 -1.609 -0.812 41.48 @@ -15755,12 +15580,12 @@ S(6) 5.000e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -28.97 -32.10 -3.14 H2 + H2(g) -12.37 -15.51 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -93.19 -101.11 -7.92 H2S + H2S(g) -26.81 -34.73 -7.92 H2S Mirabilite -2.12 -2.36 -0.24 Na2SO4:10H2O - O2(g) -16.34 -19.39 -3.05 O2 - Sulfur -69.86 -65.62 4.25 S + O2(g) -49.53 -52.58 -3.05 O2 + Sulfur -20.08 -15.83 4.25 S Thenardite -1.83 -2.27 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15798,7 +15623,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.903 Charge balance - pe = -1.274 Adjusted to redox equilibrium + pe = -1.301 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 101160 Density (g/cm³) = 1.04576 Volume (L) = 1.02604 @@ -15806,9 +15631,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.384e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.445e-16 + Total alkalinity (eq/kg) = -1.113e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = 3.619e-13 + Electrical balance (eq) = 3.234e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15822,19 +15647,18 @@ Reaction 1. OH- 9.936e-07 5.730e-07 -6.003 -6.242 -0.239 -1.84 H+ 1.696e-07 1.252e-07 -6.771 -6.903 -0.132 0.00 H2O 5.551e+01 9.798e-01 1.744 -0.009 0.000 18.28 -H(0) 4.914e-15 - H2 2.457e-15 2.980e-15 -14.610 -14.526 0.084 28.58 +H(0) 5.580e-15 + H2 2.790e-15 3.384e-15 -14.554 -14.471 0.084 28.58 Na 1.028e+00 Na+ 6.762e-01 4.771e-01 -0.170 -0.321 -0.151 0.51 NaSO4- 3.516e-01 2.299e-01 -0.454 -0.639 -0.185 12.51 - NaOH 2.254e-17 2.734e-17 -16.647 -16.563 0.084 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.633 -54.550 0.084 32.16 -S(-2) 2.865e-24 - HS- 2.261e-24 1.304e-24 -23.646 -23.885 -0.239 22.24 - H2S 6.037e-25 7.323e-25 -24.219 -24.135 0.084 41.61 - S-2 4.937e-29 8.140e-30 -28.307 -29.089 -0.783 (0) - (H2S)2 0.000e+00 0.000e+00 -49.373 -49.289 0.084 28.46 + O2 0.000e+00 0.000e+00 -54.744 -54.660 0.084 32.16 +S(-2) 4.764e-24 + HS- 3.760e-24 2.168e-24 -23.425 -23.664 -0.239 22.24 + H2S 1.004e-24 1.218e-24 -23.998 -23.914 0.084 41.61 + S-2 8.211e-29 1.354e-29 -28.086 -28.868 -0.783 (0) + (H2S)2 0.000e+00 0.000e+00 -48.931 -48.848 0.084 28.46 S(6) 5.139e-01 NaSO4- 3.516e-01 2.299e-01 -0.454 -0.639 -0.185 12.51 SO4-2 1.623e-01 2.477e-02 -0.790 -1.606 -0.816 41.74 @@ -15844,12 +15668,12 @@ S(6) 5.139e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.39 -14.53 -3.14 H2 + H2(g) -11.33 -14.47 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -22.87 -30.79 -7.92 H2S + H2S(g) -22.65 -30.57 -7.92 H2S Mirabilite -2.10 -2.34 -0.24 Na2SO4:10H2O - O2(g) -51.50 -54.55 -3.05 O2 - Sulfur -17.12 -12.88 4.25 S + O2(g) -51.61 -54.66 -3.05 O2 + Sulfur -16.96 -12.71 4.25 S Thenardite -1.80 -2.25 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15887,7 +15711,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.902 Charge balance - pe = -1.290 Adjusted to redox equilibrium + pe = -1.299 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 102479 Density (g/cm³) = 1.04680 Volume (L) = 1.02629 @@ -15895,9 +15719,9 @@ Reaction 1. Activity of water = 0.979 Ionic strength (mol/kgw) = 8.512e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.699e-17 + Total alkalinity (eq/kg) = 1.122e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 3.823e-13 + Electrical balance (eq) = 3.917e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15911,19 +15735,18 @@ Reaction 1. OH- 9.950e-07 5.727e-07 -6.002 -6.242 -0.240 -1.81 H+ 1.697e-07 1.252e-07 -6.770 -6.902 -0.132 0.00 H2O 5.551e+01 9.794e-01 1.744 -0.009 0.000 18.28 -H(0) 5.284e-15 - H2 2.642e-15 3.214e-15 -14.578 -14.493 0.085 28.58 +H(0) 5.519e-15 + H2 2.760e-15 3.357e-15 -14.559 -14.474 0.085 28.58 Na 1.047e+00 Na+ 6.873e-01 4.853e-01 -0.163 -0.314 -0.151 0.52 NaSO4- 3.593e-01 2.346e-01 -0.445 -0.630 -0.185 12.65 - NaOH 2.284e-17 2.779e-17 -16.641 -16.556 0.085 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.701 -54.616 0.085 32.16 -S(-2) 3.902e-24 - HS- 3.083e-24 1.774e-24 -23.511 -23.751 -0.240 22.25 - H2S 8.193e-25 9.967e-25 -24.087 -24.001 0.085 41.61 - S-2 6.752e-29 1.107e-29 -28.171 -28.956 -0.785 (0) - (H2S)2 0.000e+00 0.000e+00 -49.107 -49.022 0.085 28.46 + O2 0.000e+00 0.000e+00 -54.738 -54.653 0.085 32.16 +S(-2) 4.643e-24 + HS- 3.668e-24 2.111e-24 -23.436 -23.676 -0.240 22.25 + H2S 9.749e-25 1.186e-24 -24.011 -23.926 0.085 41.61 + S-2 8.034e-29 1.318e-29 -28.095 -28.880 -0.785 (0) + (H2S)2 0.000e+00 0.000e+00 -48.956 -48.871 0.085 28.46 S(6) 5.233e-01 NaSO4- 3.593e-01 2.346e-01 -0.445 -0.630 -0.185 12.65 SO4-2 1.640e-01 2.486e-02 -0.785 -1.604 -0.819 41.92 @@ -15933,12 +15756,12 @@ S(6) 5.233e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.35 -14.49 -3.14 H2 + H2(g) -11.34 -14.47 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -22.74 -30.65 -7.92 H2S + H2S(g) -22.66 -30.58 -7.92 H2S Mirabilite -2.09 -2.32 -0.24 Na2SO4:10H2O - O2(g) -51.57 -54.62 -3.05 O2 - Sulfur -17.02 -12.78 4.25 S + O2(g) -51.60 -54.65 -3.05 O2 + Sulfur -16.97 -12.72 4.25 S Thenardite -1.78 -2.23 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -15976,7 +15799,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.900 Charge balance - pe = -1.149 Adjusted to redox equilibrium + pe = -1.137 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 117961 Density (g/cm³) = 1.05969 Volume (L) = 1.02953 @@ -15984,9 +15807,9 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 1.007e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.760e-19 + Total alkalinity (eq/kg) = 1.451e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 8.502e-12 + Electrical balance (eq) = 4.577e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -16000,19 +15823,18 @@ Reaction 1. OH- 1.007e-06 5.666e-07 -5.997 -6.247 -0.250 -1.54 H+ 1.719e-07 1.260e-07 -6.765 -6.900 -0.135 0.00 H2O 5.551e+01 9.751e-01 1.744 -0.011 0.000 18.28 -H(0) 2.696e-15 - H2 1.348e-15 1.700e-15 -14.870 -14.770 0.101 28.58 +H(0) 2.552e-15 + H2 1.276e-15 1.609e-15 -14.894 -14.794 0.101 28.58 Na 1.281e+00 Na+ 8.236e-01 5.877e-01 -0.084 -0.231 -0.147 0.58 NaSO4- 4.575e-01 2.948e-01 -0.340 -0.530 -0.191 14.15 - NaOH 2.641e-17 3.330e-17 -16.578 -16.478 0.101 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.167 -54.066 0.101 32.16 -S(-2) 3.282e-25 - HS- 2.620e-25 1.475e-25 -24.582 -24.831 -0.250 22.35 - H2S 6.614e-26 8.339e-26 -25.180 -25.079 0.101 41.61 - S-2 5.918e-30 9.148e-31 -29.228 -30.039 -0.811 (0) - (H2S)2 0.000e+00 0.000e+00 -51.277 -51.177 0.101 28.46 + O2 0.000e+00 0.000e+00 -54.119 -54.018 0.101 32.16 +S(-2) 2.632e-25 + HS- 2.102e-25 1.183e-25 -24.677 -24.927 -0.250 22.35 + H2S 5.304e-26 6.688e-26 -25.275 -25.175 0.101 41.61 + S-2 4.746e-30 7.336e-31 -29.324 -30.135 -0.811 (0) + (H2S)2 0.000e+00 0.000e+00 -51.469 -51.368 0.101 28.46 S(6) 6.405e-01 NaSO4- 4.575e-01 2.948e-01 -0.340 -0.530 -0.191 14.15 SO4-2 1.831e-01 2.579e-02 -0.737 -1.589 -0.851 44.01 @@ -16022,12 +15844,12 @@ S(6) 6.405e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.63 -14.77 -3.14 H2 + H2(g) -11.66 -14.79 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -23.82 -31.73 -7.92 H2S + H2S(g) -23.91 -31.83 -7.92 H2S Mirabilite -1.92 -2.16 -0.24 Na2SO4:10H2O - O2(g) -51.02 -54.07 -3.05 O2 - Sulfur -17.82 -13.58 4.25 S + O2(g) -50.97 -54.02 -3.05 O2 + Sulfur -17.89 -13.65 4.25 S Thenardite -1.60 -2.05 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16065,7 +15887,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.899 Charge balance - pe = 8.623 Adjusted to redox equilibrium + pe = 8.617 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 119140 Density (g/cm³) = 1.06072 Volume (L) = 1.02980 @@ -16073,11 +15895,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 1.019e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.981e-15 + Total alkalinity (eq/kg) = 1.172e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 6.451e-10 + Electrical balance (eq) = 5.249e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.810622e+01 @@ -16089,19 +15911,18 @@ Reaction 1. OH- 1.007e-06 5.659e-07 -5.997 -6.247 -0.250 -1.52 H+ 1.721e-07 1.261e-07 -6.764 -6.899 -0.135 0.00 H2O 5.551e+01 9.748e-01 1.744 -0.011 0.000 18.28 -H(0) 7.710e-35 - H2 3.855e-35 4.874e-35 -34.414 -34.312 0.102 28.58 +H(0) 7.913e-35 + H2 3.956e-35 5.003e-35 -34.403 -34.301 0.102 28.58 Na 1.300e+00 Na+ 8.345e-01 5.961e-01 -0.079 -0.225 -0.146 0.59 NaSO4- 4.655e-01 2.997e-01 -0.332 -0.523 -0.191 14.27 - NaOH 2.668e-17 3.373e-17 -16.574 -16.472 0.102 (0) -O(0) 1.651e-15 - O2 8.255e-16 1.044e-15 -15.083 -14.981 0.102 32.16 +O(0) 1.567e-15 + O2 7.837e-16 9.909e-16 -15.106 -15.004 0.102 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -102.749 -102.999 -0.250 22.35 - H2S 0.000e+00 0.000e+00 -103.349 -103.247 0.102 41.61 - S-2 0.000e+00 0.000e+00 -107.394 -108.207 -0.813 (0) - (H2S)2 0.000e+00 0.000e+00 -207.614 -207.512 0.102 28.46 + HS- 0.000e+00 0.000e+00 -102.704 -102.954 -0.250 22.35 + H2S 0.000e+00 0.000e+00 -103.303 -103.202 0.102 41.61 + S-2 0.000e+00 0.000e+00 -107.349 -108.162 -0.813 (0) + (H2S)2 0.000e+00 0.000e+00 -207.524 -207.422 0.102 28.46 S(6) 6.500e-01 NaSO4- 4.655e-01 2.997e-01 -0.332 -0.523 -0.191 14.27 SO4-2 1.845e-01 2.585e-02 -0.734 -1.587 -0.853 44.17 @@ -16111,12 +15932,12 @@ S(6) 6.500e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -31.17 -34.31 -3.14 H2 + H2(g) -31.16 -34.30 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -101.98 -109.90 -7.92 H2S + H2S(g) -101.94 -109.85 -7.92 H2S Mirabilite -1.91 -2.15 -0.24 Na2SO4:10H2O - O2(g) -11.93 -14.98 -3.05 O2 - Sulfur -76.45 -72.20 4.25 S + O2(g) -11.96 -15.00 -3.05 O2 + Sulfur -76.41 -72.17 4.25 S Thenardite -1.59 -2.04 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16154,7 +15975,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.898 Charge balance - pe = -1.358 Adjusted to redox equilibrium + pe = -1.335 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 125211 Density (g/cm³) = 1.06614 Volume (L) = 1.03123 @@ -16162,9 +15983,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.084e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.563e-17 + Total alkalinity (eq/kg) = -5.103e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = 3.656e-12 + Electrical balance (eq) = 3.509e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -16178,19 +15999,18 @@ Reaction 1. OH- 1.009e-06 5.625e-07 -5.996 -6.250 -0.254 -1.41 H+ 1.733e-07 1.266e-07 -6.761 -6.898 -0.136 0.00 H2O 5.551e+01 9.729e-01 1.744 -0.012 0.000 18.28 -H(0) 7.012e-15 - H2 3.506e-15 4.499e-15 -14.455 -14.347 0.108 28.58 +H(0) 6.304e-15 + H2 3.152e-15 4.045e-15 -14.501 -14.393 0.108 28.58 Na 1.400e+00 Na+ 8.918e-01 6.404e-01 -0.050 -0.194 -0.144 0.61 NaSO4- 5.082e-01 3.257e-01 -0.294 -0.487 -0.193 14.83 - NaOH 2.807e-17 3.602e-17 -16.552 -16.443 0.108 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.022 -54.914 0.108 32.16 -S(-2) 1.664e-23 - HS- 1.335e-23 7.441e-24 -22.875 -23.128 -0.254 22.39 - H2S 3.294e-24 4.228e-24 -23.482 -23.374 0.108 41.61 - S-2 3.048e-28 4.592e-29 -27.516 -28.338 -0.822 (0) - (H2S)2 0.000e+00 0.000e+00 -47.875 -47.767 0.108 28.46 + O2 0.000e+00 0.000e+00 -54.930 -54.821 0.108 32.16 +S(-2) 1.088e-23 + HS- 8.724e-24 4.863e-24 -23.059 -23.313 -0.254 22.39 + H2S 2.153e-24 2.763e-24 -23.667 -23.559 0.108 41.61 + S-2 1.992e-28 3.001e-29 -27.701 -28.523 -0.822 (0) + (H2S)2 0.000e+00 0.000e+00 -48.244 -48.136 0.108 28.46 S(6) 7.000e-01 NaSO4- 5.082e-01 3.257e-01 -0.294 -0.487 -0.193 14.83 SO4-2 1.918e-01 2.615e-02 -0.717 -1.583 -0.865 44.98 @@ -16200,12 +16020,12 @@ S(6) 7.000e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.21 -14.35 -3.14 H2 + H2(g) -11.25 -14.39 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -22.11 -30.03 -7.92 H2S + H2S(g) -22.30 -30.21 -7.92 H2S Mirabilite -1.85 -2.09 -0.24 Na2SO4:10H2O - O2(g) -51.86 -54.91 -3.05 O2 - Sulfur -16.54 -12.29 4.25 S + O2(g) -51.77 -54.82 -3.05 O2 + Sulfur -16.68 -12.43 4.25 S Thenardite -1.52 -1.97 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16243,7 +16063,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.894 Charge balance - pe = 8.688 Adjusted to redox equilibrium + pe = 8.679 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 133986 Density (g/cm³) = 1.07433 Volume (L) = 1.03346 @@ -16251,9 +16071,9 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 1.181e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.437e-16 + Total alkalinity (eq/kg) = 5.429e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = 1.417e-10 + Electrical balance (eq) = 6.804e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -16267,19 +16087,18 @@ Reaction 1. OH- 1.010e-06 5.567e-07 -5.996 -6.254 -0.259 -1.25 H+ 1.752e-07 1.276e-07 -6.757 -6.894 -0.138 0.00 H2O 5.551e+01 9.702e-01 1.744 -0.013 0.000 18.28 -H(0) 5.631e-35 - H2 2.816e-35 3.695e-35 -34.550 -34.432 0.118 28.58 +H(0) 5.866e-35 + H2 2.933e-35 3.849e-35 -34.533 -34.415 0.118 28.58 Na 1.553e+00 Na+ 9.785e-01 7.089e-01 -0.009 -0.149 -0.140 0.65 NaSO4- 5.743e-01 3.657e-01 -0.241 -0.437 -0.196 15.64 - NaOH 3.007e-17 3.946e-17 -16.522 -16.404 0.118 (0) -O(0) 2.741e-15 - O2 1.371e-15 1.799e-15 -14.863 -14.745 0.118 32.16 +O(0) 2.527e-15 + O2 1.263e-15 1.658e-15 -14.898 -14.780 0.118 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -103.197 -103.456 -0.259 22.45 - H2S 0.000e+00 0.000e+00 -103.816 -103.698 0.118 41.61 - S-2 0.000e+00 0.000e+00 -107.834 -108.669 -0.835 (0) - (H2S)2 0.000e+00 0.000e+00 -208.533 -208.415 0.118 28.46 + HS- 0.000e+00 0.000e+00 -103.126 -103.385 -0.259 22.45 + H2S 0.000e+00 0.000e+00 -103.745 -103.627 0.118 41.61 + S-2 0.000e+00 0.000e+00 -107.763 -108.598 -0.835 (0) + (H2S)2 0.000e+00 0.000e+00 -208.392 -208.274 0.118 28.46 S(6) 7.764e-01 NaSO4- 5.743e-01 3.657e-01 -0.241 -0.437 -0.196 15.64 SO4-2 2.021e-01 2.652e-02 -0.694 -1.576 -0.882 46.15 @@ -16289,12 +16108,12 @@ S(6) 7.764e-01 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -31.29 -34.43 -3.14 H2 + H2(g) -31.28 -34.41 -3.14 H2 H2O(g) -0.82 -0.01 0.81 H2O - H2S(g) -102.43 -110.35 -7.92 H2S + H2S(g) -102.36 -110.28 -7.92 H2S Mirabilite -1.77 -2.01 -0.24 Na2SO4:10H2O - O2(g) -11.70 -14.74 -3.05 O2 - Sulfur -76.78 -72.53 4.25 S + O2(g) -11.73 -14.78 -3.05 O2 + Sulfur -76.73 -72.48 4.25 S Thenardite -1.43 -1.88 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16332,7 +16151,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.888 Charge balance - pe = 8.653 Adjusted to redox equilibrium + pe = 8.651 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 147677 Density (g/cm³) = 1.08812 Volume (L) = 1.03739 @@ -16340,9 +16159,9 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.343e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.517e-16 + Total alkalinity (eq/kg) = 8.310e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 4.178e-10 + Electrical balance (eq) = 9.606e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -16356,19 +16175,18 @@ Reaction 1. OH- 1.006e-06 5.455e-07 -5.997 -6.263 -0.266 -0.98 H+ 1.787e-07 1.295e-07 -6.748 -6.888 -0.140 0.00 H2O 5.551e+01 9.655e-01 1.744 -0.015 0.000 18.28 -H(0) 6.571e-35 - H2 3.286e-35 4.476e-35 -34.483 -34.349 0.134 28.58 +H(0) 6.631e-35 + H2 3.316e-35 4.517e-35 -34.479 -34.345 0.134 28.58 Na 1.814e+00 Na+ 1.125e+00 8.284e-01 0.051 -0.082 -0.133 0.70 NaSO4- 6.889e-01 4.345e-01 -0.162 -0.362 -0.200 16.88 - NaOH 3.317e-17 4.519e-17 -16.479 -16.345 0.134 (0) -O(0) 1.783e-15 - O2 8.915e-16 1.214e-15 -15.050 -14.916 0.134 32.16 +O(0) 1.751e-15 + O2 8.754e-16 1.193e-15 -15.058 -14.924 0.134 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -102.835 -103.101 -0.266 22.54 - H2S 0.000e+00 0.000e+00 -103.471 -103.336 0.134 41.61 - S-2 0.000e+00 0.000e+00 -107.467 -108.320 -0.854 (0) - (H2S)2 0.000e+00 0.000e+00 -207.826 -207.691 0.134 28.46 + HS- 0.000e+00 0.000e+00 -102.819 -103.085 -0.266 22.54 + H2S 0.000e+00 0.000e+00 -103.455 -103.321 0.134 41.61 + S-2 0.000e+00 0.000e+00 -107.451 -108.305 -0.854 (0) + (H2S)2 0.000e+00 0.000e+00 -207.794 -207.660 0.134 28.46 S(6) 9.068e-01 NaSO4- 6.889e-01 4.345e-01 -0.162 -0.362 -0.200 16.88 SO4-2 2.179e-01 2.696e-02 -0.662 -1.569 -0.907 47.99 @@ -16380,10 +16198,10 @@ S(6) 9.068e-01 H2(g) -31.21 -34.35 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -102.07 -109.99 -7.92 H2S + H2S(g) -102.06 -109.97 -7.92 H2S Mirabilite -1.65 -1.89 -0.24 Na2SO4:10H2O - O2(g) -11.87 -14.92 -3.05 O2 - Sulfur -76.50 -72.26 4.25 S + O2(g) -11.88 -14.92 -3.05 O2 + Sulfur -76.49 -72.24 4.25 S Thenardite -1.28 -1.73 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16421,7 +16239,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.882 Charge balance - pe = 8.672 Adjusted to redox equilibrium + pe = 8.125 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 156551 Density (g/cm³) = 1.09781 Volume (L) = 1.04029 @@ -16429,11 +16247,11 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.456e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.855e-17 + Total alkalinity (eq/kg) = 1.914e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 1.265e-11 + Electrical balance (eq) = 9.037e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.950622e+01 @@ -16445,19 +16263,18 @@ Reaction 1. OH- 1.001e-06 5.369e-07 -6.000 -6.270 -0.271 -0.80 H+ 1.815e-07 1.312e-07 -6.741 -6.882 -0.141 0.00 H2O 5.551e+01 9.621e-01 1.744 -0.017 0.000 18.28 -H(0) 6.018e-35 - H2 3.009e-35 4.208e-35 -34.522 -34.376 0.146 28.58 +H(0) 7.477e-34 + H2 3.738e-34 5.227e-34 -33.427 -33.282 0.146 28.58 Na 2.000e+00 Na+ 1.228e+00 9.159e-01 0.089 -0.038 -0.127 0.74 NaSO4- 7.721e-01 4.840e-01 -0.112 -0.315 -0.203 17.68 - NaOH 3.517e-17 4.918e-17 -16.454 -16.308 0.146 (0) -O(0) 1.952e-15 - O2 9.760e-16 1.365e-15 -15.011 -14.865 0.146 32.16 +O(0) 1.265e-17 + O2 6.324e-18 8.842e-18 -17.199 -17.053 0.146 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -102.923 -103.193 -0.271 22.60 - H2S 0.000e+00 0.000e+00 -103.569 -103.424 0.146 41.61 - S-2 0.000e+00 0.000e+00 -107.553 -108.418 -0.865 (0) - (H2S)2 0.000e+00 0.000e+00 -208.012 -207.866 0.146 28.46 + HS- 0.000e+00 0.000e+00 -98.546 -98.817 -0.271 22.60 + H2S 0.000e+00 0.000e+00 -99.192 -99.047 0.146 41.61 + S-2 0.000e+00 0.000e+00 -103.176 -104.042 -0.865 (0) + (H2S)2 0.000e+00 0.000e+00 -199.258 -199.112 0.146 28.46 S(6) 1.000e+00 NaSO4- 7.721e-01 4.840e-01 -0.112 -0.315 -0.203 17.68 SO4-2 2.279e-01 2.717e-02 -0.642 -1.566 -0.924 49.21 @@ -16467,12 +16284,12 @@ S(6) 1.000e+00 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -31.24 -34.38 -3.14 H2 + H2(g) -30.14 -33.28 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -102.16 -110.08 -7.92 H2S + H2S(g) -97.78 -105.70 -7.92 H2S Mirabilite -1.57 -1.81 -0.24 Na2SO4:10H2O - O2(g) -11.82 -14.86 -3.05 O2 - Sulfur -76.56 -72.32 4.25 S + O2(g) -14.00 -17.05 -3.05 O2 + Sulfur -73.28 -69.03 4.25 S Thenardite -1.19 -1.64 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16510,7 +16327,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.880 Charge balance - pe = 8.963 Adjusted to redox equilibrium + pe = 8.584 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 160302 Density (g/cm³) = 1.10212 Volume (L) = 1.04161 @@ -16518,11 +16335,11 @@ Reaction 1. Activity of water = 0.961 Ionic strength (mol/kgw) = 1.506e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.011e-17 + Total alkalinity (eq/kg) = -3.150e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 8.979e-11 + Electrical balance (eq) = 4.372e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 26 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.967346e+01 @@ -16534,19 +16351,18 @@ Reaction 1. OH- 9.981e-07 5.330e-07 -6.001 -6.273 -0.272 -0.72 H+ 1.827e-07 1.319e-07 -6.738 -6.880 -0.142 0.00 H2O 5.551e+01 9.606e-01 1.744 -0.017 0.000 18.28 -H(0) 1.571e-35 - H2 7.856e-36 1.111e-35 -35.105 -34.954 0.151 28.58 +H(0) 9.030e-35 + H2 4.515e-35 6.386e-35 -34.345 -34.195 0.151 28.58 Na 2.084e+00 Na+ 1.274e+00 9.558e-01 0.105 -0.020 -0.125 0.75 NaSO4- 8.097e-01 5.064e-01 -0.092 -0.296 -0.204 18.02 - NaOH 3.602e-17 5.094e-17 -16.444 -16.293 0.151 (0) -O(0) 2.758e-14 - O2 1.379e-14 1.950e-14 -13.861 -13.710 0.151 32.16 +O(0) 8.350e-16 + O2 4.175e-16 5.905e-16 -15.379 -15.229 0.151 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -105.228 -105.500 -0.272 22.63 - H2S 0.000e+00 0.000e+00 -105.878 -105.728 0.151 41.61 - S-2 0.000e+00 0.000e+00 -109.857 -110.727 -0.870 (0) - (H2S)2 0.000e+00 0.000e+00 -212.625 -212.474 0.151 28.46 + HS- 0.000e+00 0.000e+00 -102.190 -102.462 -0.272 22.63 + H2S 0.000e+00 0.000e+00 -102.841 -102.690 0.151 41.61 + S-2 0.000e+00 0.000e+00 -106.820 -107.690 -0.870 (0) + (H2S)2 0.000e+00 0.000e+00 -206.549 -206.399 0.151 28.46 S(6) 1.042e+00 NaSO4- 8.097e-01 5.064e-01 -0.092 -0.296 -0.204 18.02 SO4-2 2.321e-01 2.724e-02 -0.634 -1.565 -0.930 49.73 @@ -16556,12 +16372,12 @@ S(6) 1.042e+00 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -31.82 -34.95 -3.14 H2 + H2(g) -31.06 -34.19 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -104.46 -112.38 -7.92 H2S + H2S(g) -101.43 -109.34 -7.92 H2S Mirabilite -1.54 -1.78 -0.24 Na2SO4:10H2O - O2(g) -10.66 -13.71 -3.05 O2 - Sulfur -78.29 -74.04 4.25 S + O2(g) -12.18 -15.23 -3.05 O2 + Sulfur -76.01 -71.76 4.25 S Thenardite -1.16 -1.60 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16599,7 +16415,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.879 Charge balance - pe = -1.373 Adjusted to redox equilibrium + pe = -1.352 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 161622 Density (g/cm³) = 1.10367 Volume (L) = 1.04209 @@ -16607,9 +16423,9 @@ Reaction 1. Activity of water = 0.960 Ionic strength (mol/kgw) = 1.524e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.973e-17 + Total alkalinity (eq/kg) = -1.469e-17 Temperature (°C) = 55.00 - Electrical balance (eq) = 3.612e-11 + Electrical balance (eq) = 2.845e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -16623,19 +16439,18 @@ Reaction 1. OH- 9.970e-07 5.316e-07 -6.001 -6.274 -0.273 -0.69 H+ 1.832e-07 1.322e-07 -6.737 -6.879 -0.142 0.00 H2O 5.551e+01 9.601e-01 1.744 -0.018 0.000 18.28 -H(0) 7.417e-15 - H2 3.709e-15 5.268e-15 -14.431 -14.278 0.152 28.58 +H(0) 6.724e-15 + H2 3.362e-15 4.775e-15 -14.473 -14.321 0.152 28.58 Na 2.114e+00 Na+ 1.290e+00 9.703e-01 0.111 -0.013 -0.124 0.76 NaSO4- 8.233e-01 5.144e-01 -0.084 -0.289 -0.204 18.14 - NaOH 3.631e-17 5.158e-17 -16.440 -16.288 0.152 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.214 -55.062 0.152 32.16 -S(-2) 3.681e-23 - HS- 3.010e-23 1.605e-23 -22.521 -22.795 -0.273 22.64 - H2S 6.704e-24 9.522e-24 -23.174 -23.021 0.152 41.61 - S-2 7.062e-28 9.484e-29 -27.151 -28.023 -0.872 (0) - (H2S)2 0.000e+00 0.000e+00 -47.214 -47.061 0.152 28.46 + O2 0.000e+00 0.000e+00 -55.129 -54.977 0.152 32.16 +S(-2) 2.486e-23 + HS- 2.033e-23 1.084e-23 -22.692 -22.965 -0.273 22.64 + H2S 4.528e-24 6.432e-24 -23.344 -23.192 0.152 41.61 + S-2 4.770e-28 6.406e-29 -27.321 -28.193 -0.872 (0) + (H2S)2 0.000e+00 0.000e+00 -47.555 -47.402 0.152 28.46 S(6) 1.057e+00 NaSO4- 8.233e-01 5.144e-01 -0.084 -0.289 -0.204 18.14 SO4-2 2.336e-01 2.726e-02 -0.632 -1.565 -0.933 49.92 @@ -16645,12 +16460,12 @@ S(6) 1.057e+00 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.14 -14.28 -3.14 H2 + H2(g) -11.18 -14.32 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -21.76 -29.67 -7.92 H2S + H2S(g) -21.93 -29.84 -7.92 H2S Mirabilite -1.53 -1.77 -0.24 Na2SO4:10H2O - O2(g) -52.01 -55.06 -3.05 O2 - Sulfur -16.26 -12.01 4.25 S + O2(g) -51.93 -54.98 -3.05 O2 + Sulfur -16.38 -12.14 4.25 S Thenardite -1.14 -1.59 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16688,7 +16503,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.871 Charge balance - pe = 8.714 Adjusted to redox equilibrium + pe = 8.753 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 171323 Density (g/cm³) = 1.11563 Volume (L) = 1.04589 @@ -16696,9 +16511,9 @@ Reaction 1. Activity of water = 0.956 Ionic strength (mol/kgw) = 1.663e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.725e-16 + Total alkalinity (eq/kg) = 7.145e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 4.753e-10 + Electrical balance (eq) = 1.015e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -16712,19 +16527,18 @@ Reaction 1. OH- 9.867e-07 5.202e-07 -6.006 -6.284 -0.278 -0.47 H+ 1.870e-07 1.345e-07 -6.728 -6.871 -0.143 0.00 H2O 5.551e+01 9.559e-01 1.744 -0.020 0.000 18.28 -H(0) 4.966e-35 - H2 2.483e-35 3.642e-35 -34.605 -34.439 0.166 28.58 +H(0) 4.160e-35 + H2 2.080e-35 3.050e-35 -34.682 -34.516 0.166 28.58 Na 2.349e+00 Na+ 1.419e+00 1.085e+00 0.152 0.035 -0.116 0.80 NaSO4- 9.301e-01 5.775e-01 -0.031 -0.238 -0.207 19.03 - NaOH 3.849e-17 5.645e-17 -16.415 -16.248 0.166 (0) -O(0) 2.452e-15 - O2 1.226e-15 1.798e-15 -14.911 -14.745 0.166 32.16 +O(0) 3.495e-15 + O2 1.748e-15 2.563e-15 -14.758 -14.591 0.166 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -103.141 -103.419 -0.278 22.71 - H2S 0.000e+00 0.000e+00 -103.805 -103.638 0.166 41.61 - S-2 0.000e+00 0.000e+00 -107.771 -108.655 -0.884 (0) - (H2S)2 0.000e+00 0.000e+00 -208.462 -208.295 0.166 28.46 + HS- 0.000e+00 0.000e+00 -103.449 -103.727 -0.278 22.71 + H2S 0.000e+00 0.000e+00 -104.112 -103.946 0.166 41.61 + S-2 0.000e+00 0.000e+00 -108.078 -108.963 -0.884 (0) + (H2S)2 0.000e+00 0.000e+00 -209.077 -208.911 0.166 28.46 S(6) 1.174e+00 NaSO4- 9.301e-01 5.775e-01 -0.031 -0.238 -0.207 19.03 SO4-2 2.444e-01 2.736e-02 -0.612 -1.563 -0.951 51.31 @@ -16734,12 +16548,12 @@ S(6) 1.174e+00 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -31.30 -34.44 -3.14 H2 + H2(g) -31.38 -34.52 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -102.37 -110.29 -7.92 H2S + H2S(g) -102.68 -110.60 -7.92 H2S Mirabilite -1.45 -1.69 -0.24 Na2SO4:10H2O - O2(g) -11.70 -14.75 -3.05 O2 - Sulfur -76.71 -72.47 4.25 S + O2(g) -11.54 -14.59 -3.05 O2 + Sulfur -76.94 -72.70 4.25 S Thenardite -1.04 -1.49 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16777,7 +16591,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.870 Charge balance - pe = -1.351 Adjusted to redox equilibrium + pe = -1.287 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 173301 Density (g/cm³) = 1.11820 Volume (L) = 1.04673 @@ -16785,9 +16599,9 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.693e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.865e-16 + Total alkalinity (eq/kg) = 2.673e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 6.599e-11 + Electrical balance (eq) = 7.700e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -16801,19 +16615,18 @@ Reaction 1. OH- 9.842e-07 5.177e-07 -6.007 -6.286 -0.279 -0.42 H+ 1.878e-07 1.350e-07 -6.726 -6.870 -0.143 0.00 H2O 5.551e+01 9.550e-01 1.744 -0.020 0.000 18.28 -H(0) 6.703e-15 - H2 3.352e-15 4.950e-15 -14.475 -14.305 0.169 28.58 +H(0) 5.006e-15 + H2 2.503e-15 3.696e-15 -14.602 -14.432 0.169 28.58 Na 2.400e+00 Na+ 1.447e+00 1.110e+00 0.160 0.046 -0.115 0.81 NaSO4- 9.535e-01 5.913e-01 -0.021 -0.228 -0.207 19.21 - NaOH 3.893e-17 5.749e-17 -16.410 -16.240 0.169 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.182 -55.013 0.169 32.16 -S(-2) 3.029e-23 - HS- 2.492e-23 1.311e-23 -22.604 -22.883 -0.279 22.72 - H2S 5.378e-24 7.942e-24 -23.269 -23.100 0.169 41.61 - S-2 5.844e-28 7.584e-29 -27.233 -28.120 -0.887 (0) - (H2S)2 0.000e+00 0.000e+00 -47.388 -47.219 0.169 28.46 + O2 0.000e+00 0.000e+00 -54.928 -54.759 0.169 32.16 +S(-2) 9.423e-24 + HS- 7.750e-24 4.077e-24 -23.111 -23.390 -0.279 22.72 + H2S 1.673e-24 2.470e-24 -23.777 -23.607 0.169 41.61 + S-2 1.818e-28 2.359e-29 -27.740 -28.627 -0.887 (0) + (H2S)2 0.000e+00 0.000e+00 -48.403 -48.233 0.169 28.46 S(6) 1.200e+00 NaSO4- 9.535e-01 5.913e-01 -0.021 -0.228 -0.207 19.21 SO4-2 2.465e-01 2.738e-02 -0.608 -1.563 -0.955 51.60 @@ -16823,12 +16636,12 @@ S(6) 1.200e+00 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.17 -14.31 -3.14 H2 + H2(g) -11.29 -14.43 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -21.84 -29.75 -7.92 H2S + H2S(g) -22.34 -30.26 -7.92 H2S Mirabilite -1.44 -1.67 -0.24 Na2SO4:10H2O - O2(g) -51.96 -55.01 -3.05 O2 - Sulfur -16.31 -12.06 4.25 S + O2(g) -51.71 -54.76 -3.05 O2 + Sulfur -16.69 -12.44 4.25 S Thenardite -1.02 -1.47 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16866,7 +16679,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.862 Charge balance - pe = -1.158 Adjusted to redox equilibrium + pe = -1.272 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 181288 Density (g/cm³) = 1.12916 Volume (L) = 1.05038 @@ -16874,9 +16687,9 @@ Reaction 1. Activity of water = 0.951 Ionic strength (mol/kgw) = 1.821e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.677e-16 + Total alkalinity (eq/kg) = -3.732e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 9.886e-11 + Electrical balance (eq) = 1.092e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -16890,19 +16703,18 @@ Reaction 1. OH- 9.727e-07 5.069e-07 -6.012 -6.295 -0.283 -0.22 H+ 1.915e-07 1.373e-07 -6.718 -6.862 -0.144 0.00 H2O 5.551e+01 9.511e-01 1.744 -0.022 0.000 18.28 -H(0) 2.774e-15 - H2 1.387e-15 2.109e-15 -14.858 -14.676 0.182 28.58 +H(0) 4.675e-15 + H2 2.337e-15 3.555e-15 -14.631 -14.449 0.182 28.58 Na 2.620e+00 Na+ 1.565e+00 1.222e+00 0.195 0.087 -0.108 0.84 NaSO4- 1.054e+00 6.506e-01 0.023 -0.187 -0.210 19.97 - NaOH 4.072e-17 6.192e-17 -16.390 -16.208 0.182 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.457 -54.275 0.182 32.16 -S(-2) 1.038e-24 - HS- 8.571e-25 4.467e-25 -24.067 -24.350 -0.283 22.78 - H2S 1.810e-25 2.753e-25 -24.742 -24.560 0.182 41.61 - S-2 2.004e-29 2.541e-30 -28.698 -29.595 -0.897 (0) - (H2S)2 0.000e+00 0.000e+00 -50.321 -50.139 0.182 28.46 + O2 0.000e+00 0.000e+00 -54.911 -54.728 0.182 32.16 +S(-2) 8.379e-24 + HS- 6.917e-24 3.605e-24 -23.160 -23.443 -0.283 22.78 + H2S 1.461e-24 2.222e-24 -23.835 -23.653 0.182 41.61 + S-2 1.618e-28 2.051e-29 -27.791 -28.688 -0.897 (0) + (H2S)2 0.000e+00 0.000e+00 -48.507 -48.325 0.182 28.46 S(6) 1.310e+00 NaSO4- 1.054e+00 6.506e-01 0.023 -0.187 -0.210 19.97 SO4-2 2.554e-01 2.738e-02 -0.593 -1.563 -0.970 52.82 @@ -16912,12 +16724,12 @@ S(6) 1.310e+00 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -11.54 -14.68 -3.14 H2 + H2(g) -11.31 -14.45 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -23.30 -31.21 -7.92 H2S + H2S(g) -22.39 -30.31 -7.92 H2S Mirabilite -1.37 -1.61 -0.24 Na2SO4:10H2O - O2(g) -51.23 -54.28 -3.05 O2 - Sulfur -17.40 -13.15 4.25 S + O2(g) -51.68 -54.73 -3.05 O2 + Sulfur -16.72 -12.47 4.25 S Thenardite -0.94 -1.39 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -16955,7 +16767,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.860 Charge balance - pe = 8.615 Adjusted to redox equilibrium + pe = 8.618 Adjusted to redox equilibrium Specific Conductance (µS/cm, 55°C) = 183324 Density (g/cm³) = 1.13212 Volume (L) = 1.05138 @@ -16963,11 +16775,11 @@ Reaction 1. Activity of water = 0.950 Ionic strength (mol/kgw) = 1.855e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.860e-16 + Total alkalinity (eq/kg) = 4.093e-16 Temperature (°C) = 55.00 - Electrical balance (eq) = 8.982e-14 + Electrical balance (eq) = 7.924e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 10 Total H = 1.110124e+02 Total O = 6.086486e+01 @@ -16979,19 +16791,18 @@ Reaction 1. OH- 9.693e-07 5.040e-07 -6.014 -6.298 -0.284 -0.17 H+ 1.925e-07 1.380e-07 -6.716 -6.860 -0.145 0.00 H2O 5.551e+01 9.501e-01 1.744 -0.022 0.000 18.28 -H(0) 7.879e-35 - H2 3.939e-35 6.038e-35 -34.405 -34.219 0.185 28.58 +H(0) 7.784e-35 + H2 3.892e-35 5.966e-35 -34.410 -34.224 0.185 28.58 Na 2.679e+00 Na+ 1.597e+00 1.252e+00 0.203 0.098 -0.106 0.85 NaSO4- 1.082e+00 6.668e-01 0.034 -0.176 -0.210 20.16 - NaOH 4.118e-17 6.311e-17 -16.385 -16.200 0.185 (0) -O(0) 8.430e-16 - O2 4.215e-16 6.461e-16 -15.375 -15.190 0.185 32.16 +O(0) 8.636e-16 + O2 4.318e-16 6.619e-16 -15.365 -15.179 0.185 32.16 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -102.235 -102.519 -0.284 22.80 - H2S 0.000e+00 0.000e+00 -102.912 -102.727 0.185 41.61 - S-2 0.000e+00 0.000e+00 -106.866 -107.766 -0.899 (0) - (H2S)2 0.000e+00 0.000e+00 -206.658 -206.473 0.185 28.46 + HS- 0.000e+00 0.000e+00 -102.256 -102.540 -0.284 22.80 + H2S 0.000e+00 0.000e+00 -102.933 -102.748 0.185 41.61 + S-2 0.000e+00 0.000e+00 -106.887 -107.787 -0.899 (0) + (H2S)2 0.000e+00 0.000e+00 -206.700 -206.515 0.185 28.46 S(6) 1.340e+00 NaSO4- 1.082e+00 6.668e-01 0.034 -0.176 -0.210 20.16 SO4-2 2.576e-01 2.737e-02 -0.589 -1.563 -0.974 53.13 @@ -17001,12 +16812,12 @@ S(6) 1.340e+00 Phase SI** log IAP log K(328 K, 1 atm) - H2(g) -31.08 -34.22 -3.14 H2 + H2(g) -31.09 -34.22 -3.14 H2 H2O(g) -0.83 -0.02 0.81 H2O - H2S(g) -101.46 -109.38 -7.92 H2S + H2S(g) -101.48 -109.40 -7.92 H2S Mirabilite -1.35 -1.59 -0.24 Na2SO4:10H2O - O2(g) -12.14 -15.19 -3.05 O2 - Sulfur -76.02 -71.78 4.25 S + O2(g) -12.13 -15.18 -3.05 O2 + Sulfur -76.04 -71.79 4.25 S Thenardite -0.92 -1.37 -0.45 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17148,7 +16959,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.664 Charge balance - pe = 7.598 Adjusted to redox equilibrium + pe = 7.600 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 20124 Density (g/cm³) = 0.98098 Volume (L) = 1.02663 @@ -17156,9 +16967,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.137e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.119e-17 + Total alkalinity (eq/kg) = 5.308e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.698e-12 + Electrical balance (eq) = 2.941e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -17172,19 +16983,18 @@ Reaction 1. OH- 1.294e-06 9.456e-07 -5.888 -6.024 -0.136 -3.84 H+ 2.690e-07 2.166e-07 -6.570 -6.664 -0.094 0.00 H2O 5.551e+01 9.978e-01 1.744 -0.001 0.000 18.48 -H(0) 2.685e-32 - H2 1.342e-32 1.378e-32 -31.872 -31.861 0.011 28.58 +H(0) 2.667e-32 + H2 1.333e-32 1.369e-32 -31.875 -31.864 0.011 28.58 Na 1.000e-01 Na+ 8.186e-02 6.200e-02 -1.087 -1.208 -0.121 0.40 NaSO4- 1.814e-02 1.385e-02 -1.741 -1.859 -0.117 -0.91 - NaOH 5.711e-18 5.862e-18 -17.243 -17.232 0.011 (0) -O(0) 2.806e-15 - O2 1.403e-15 1.440e-15 -14.853 -14.842 0.011 32.99 +O(0) 2.843e-15 + O2 1.422e-15 1.459e-15 -14.847 -14.836 0.011 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.294 -95.430 -0.136 21.29 - H2S 0.000e+00 0.000e+00 -95.551 -95.540 0.011 43.89 - S-2 0.000e+00 0.000e+00 -99.925 -100.410 -0.485 (0) - (H2S)2 0.000e+00 0.000e+00 -192.001 -191.990 0.011 26.89 + HS- 0.000e+00 0.000e+00 -95.306 -95.442 -0.136 21.29 + H2S 0.000e+00 0.000e+00 -95.563 -95.551 0.011 43.89 + S-2 0.000e+00 0.000e+00 -99.936 -100.422 -0.485 (0) + (H2S)2 0.000e+00 0.000e+00 -192.024 -192.013 0.011 26.89 S(6) 5.000e-02 SO4-2 3.186e-02 1.031e-02 -1.497 -1.987 -0.490 25.05 NaSO4- 1.814e-02 1.385e-02 -1.741 -1.859 -0.117 -0.91 @@ -17196,10 +17006,10 @@ S(6) 5.000e-02 H2(g) -28.73 -31.86 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -94.16 -102.09 -7.94 H2S + H2S(g) -94.17 -102.11 -7.94 H2S Mirabilite -4.55 -4.41 0.14 Na2SO4:10H2O O2(g) -11.74 -14.84 -3.10 O2 - Sulfur -70.90 -67.01 3.88 S + Sulfur -70.90 -67.02 3.88 S Thenardite -3.84 -4.40 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17237,7 +17047,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.670 Charge balance - pe = 7.516 Adjusted to redox equilibrium + pe = 7.517 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 21642 Density (g/cm³) = 0.98152 Volume (L) = 1.02670 @@ -17245,9 +17055,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.225e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.388e-15 + Total alkalinity (eq/kg) = -6.121e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = -6.421e-11 + Electrical balance (eq) = -5.553e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -17261,19 +17071,18 @@ Reaction 1. OH- 1.323e-06 9.587e-07 -5.878 -6.018 -0.140 -3.81 H+ 2.663e-07 2.136e-07 -6.575 -6.670 -0.096 0.00 H2O 5.551e+01 9.976e-01 1.744 -0.001 0.000 18.48 -H(0) 3.799e-32 - H2 1.899e-32 1.954e-32 -31.721 -31.709 0.012 28.58 +H(0) 3.785e-32 + H2 1.893e-32 1.947e-32 -31.723 -31.711 0.012 28.58 Na 1.088e-01 Na+ 8.846e-02 6.660e-02 -1.053 -1.177 -0.123 0.41 NaSO4- 2.038e-02 1.546e-02 -1.691 -1.811 -0.120 -0.50 - NaOH 6.207e-18 6.385e-18 -17.207 -17.195 0.012 (0) -O(0) 1.392e-15 - O2 6.961e-16 7.160e-16 -15.157 -15.145 0.012 32.99 +O(0) 1.402e-15 + O2 7.011e-16 7.211e-16 -15.154 -15.142 0.012 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.673 -94.813 -0.140 21.31 - H2S 0.000e+00 0.000e+00 -94.940 -94.928 0.012 43.89 - S-2 0.000e+00 0.000e+00 -99.290 -99.787 -0.497 (0) - (H2S)2 0.000e+00 0.000e+00 -190.779 -190.767 0.012 26.89 + HS- 0.000e+00 0.000e+00 -94.679 -94.819 -0.140 21.31 + H2S 0.000e+00 0.000e+00 -94.946 -94.934 0.012 43.89 + S-2 0.000e+00 0.000e+00 -99.296 -99.793 -0.497 (0) + (H2S)2 0.000e+00 0.000e+00 -190.791 -190.779 0.012 26.89 S(6) 5.442e-02 SO4-2 3.404e-02 1.072e-02 -1.468 -1.970 -0.502 25.40 NaSO4- 2.038e-02 1.546e-02 -1.691 -1.811 -0.120 -0.50 @@ -17285,10 +17094,10 @@ S(6) 5.442e-02 H2(g) -28.58 -31.71 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -93.54 -101.48 -7.94 H2S + H2S(g) -93.55 -101.49 -7.94 H2S Mirabilite -4.48 -4.33 0.14 Na2SO4:10H2O - O2(g) -12.05 -15.15 -3.10 O2 - Sulfur -70.44 -66.55 3.88 S + O2(g) -12.04 -15.14 -3.10 O2 + Sulfur -70.44 -66.56 3.88 S Thenardite -3.76 -4.32 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17326,7 +17135,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.708 Charge balance - pe = 7.542 Adjusted to redox equilibrium + pe = 7.543 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 34848 Density (g/cm³) = 0.98648 Volume (L) = 1.02745 @@ -17334,9 +17143,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.998e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.132e-17 + Total alkalinity (eq/kg) = 2.881e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.207e-12 + Electrical balance (eq) = 1.440e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -17350,19 +17159,18 @@ Reaction 1. OH- 1.525e-06 1.043e-06 -5.817 -5.982 -0.165 -3.58 H+ 2.508e-07 1.960e-07 -6.601 -6.708 -0.107 0.00 H2O 5.551e+01 9.959e-01 1.744 -0.002 0.000 18.48 -H(0) 2.798e-32 - H2 1.399e-32 1.465e-32 -31.854 -31.834 0.020 28.58 +H(0) 2.786e-32 + H2 1.393e-32 1.458e-32 -31.856 -31.836 0.020 28.58 Na 1.909e-01 Na+ 1.476e-01 1.070e-01 -0.831 -0.971 -0.140 0.50 NaSO4- 4.332e-02 3.153e-02 -1.363 -1.501 -0.138 2.39 - NaOH 1.065e-17 1.115e-17 -16.973 -16.953 0.020 (0) -O(0) 2.424e-15 - O2 1.212e-15 1.269e-15 -14.916 -14.896 0.020 32.99 +O(0) 2.446e-15 + O2 1.223e-15 1.281e-15 -14.913 -14.893 0.020 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.078 -95.244 -0.165 21.46 - H2S 0.000e+00 0.000e+00 -95.416 -95.396 0.020 43.89 - S-2 0.000e+00 0.000e+00 -99.605 -100.180 -0.575 (0) - (H2S)2 0.000e+00 0.000e+00 -191.723 -191.703 0.020 26.89 + HS- 0.000e+00 0.000e+00 -95.086 -95.251 -0.165 21.46 + H2S 0.000e+00 0.000e+00 -95.424 -95.404 0.020 43.89 + S-2 0.000e+00 0.000e+00 -99.613 -100.188 -0.575 (0) + (H2S)2 0.000e+00 0.000e+00 -191.738 -191.718 0.020 26.89 S(6) 9.547e-02 SO4-2 5.214e-02 1.361e-02 -1.283 -1.866 -0.583 28.01 NaSO4- 4.332e-02 3.153e-02 -1.363 -1.501 -0.138 2.39 @@ -17372,11 +17180,11 @@ S(6) 9.547e-02 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.70 -31.83 -3.13 H2 + H2(g) -28.70 -31.84 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -94.01 -101.95 -7.94 H2S + H2S(g) -94.02 -101.96 -7.94 H2S Mirabilite -3.97 -3.83 0.14 Na2SO4:10H2O - O2(g) -11.80 -14.90 -3.10 O2 + O2(g) -11.79 -14.89 -3.10 O2 Sulfur -70.78 -66.90 3.88 S Thenardite -3.25 -3.81 -0.56 Na2SO4 @@ -17415,7 +17223,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.710 Charge balance - pe = -0.973 Adjusted to redox equilibrium + pe = -0.975 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 36226 Density (g/cm³) = 0.98702 Volume (L) = 1.02754 @@ -17423,9 +17231,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.079e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.503e-17 + Total alkalinity (eq/kg) = -9.704e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 7.028e-11 + Electrical balance (eq) = 7.098e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -17439,19 +17247,18 @@ Reaction 1. OH- 1.542e-06 1.049e-06 -5.812 -5.979 -0.167 -3.56 H+ 2.498e-07 1.948e-07 -6.602 -6.710 -0.108 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.48 -H(0) 2.956e-15 - H2 1.478e-15 1.550e-15 -14.830 -14.810 0.021 28.58 +H(0) 2.980e-15 + H2 1.490e-15 1.563e-15 -14.827 -14.806 0.021 28.58 Na 2.000e-01 Na+ 1.540e-01 1.112e-01 -0.813 -0.954 -0.141 0.51 NaSO4- 4.604e-02 3.340e-02 -1.337 -1.476 -0.139 2.65 - NaOH 1.113e-17 1.167e-17 -16.954 -16.933 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.967 -48.946 0.021 32.99 -S(-2) 1.549e-27 - HS- 1.066e-27 7.249e-28 -26.972 -27.140 -0.167 21.47 - H2S 4.834e-28 5.071e-28 -27.316 -27.295 0.021 43.89 - S-2 3.225e-32 8.443e-33 -31.491 -32.074 -0.582 (0) - (H2S)2 0.000e+00 0.000e+00 -55.521 -55.500 0.021 26.89 + O2 0.000e+00 0.000e+00 -48.974 -48.953 0.021 32.99 +S(-2) 1.600e-27 + HS- 1.101e-27 7.487e-28 -26.958 -27.126 -0.167 21.47 + H2S 4.992e-28 5.237e-28 -27.302 -27.281 0.021 43.89 + S-2 3.331e-32 8.720e-33 -31.477 -32.059 -0.582 (0) + (H2S)2 0.000e+00 0.000e+00 -55.493 -55.472 0.021 26.89 S(6) 1.000e-01 SO4-2 5.395e-02 1.386e-02 -1.268 -1.858 -0.590 28.25 NaSO4- 4.604e-02 3.340e-02 -1.337 -1.476 -0.139 2.65 @@ -17461,12 +17268,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.68 -14.81 -3.13 H2 + H2(g) -11.67 -14.81 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -25.91 -33.85 -7.94 H2S + H2S(g) -25.90 -33.84 -7.94 H2S Mirabilite -3.93 -3.78 0.14 Na2SO4:10H2O O2(g) -45.85 -48.95 -3.10 O2 - Sulfur -19.70 -15.82 3.88 S + Sulfur -19.69 -15.81 3.88 S Thenardite -3.21 -3.77 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17512,9 +17319,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.193e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.525e-17 + Total alkalinity (eq/kg) = 2.574e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = -4.056e-13 + Electrical balance (eq) = -1.612e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -17528,19 +17335,18 @@ Reaction 1. OH- 1.565e-06 1.058e-06 -5.805 -5.976 -0.170 -3.53 H+ 2.484e-07 1.932e-07 -6.605 -6.714 -0.109 0.00 H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 18.48 -H(0) 3.777e-32 - H2 1.889e-32 1.986e-32 -31.724 -31.702 0.022 28.58 +H(0) 3.774e-32 + H2 1.887e-32 1.985e-32 -31.724 -31.702 0.022 28.58 Na 2.128e-01 Na+ 1.629e-01 1.172e-01 -0.788 -0.931 -0.143 0.52 NaSO4- 4.994e-02 3.606e-02 -1.302 -1.443 -0.141 2.99 - NaOH 1.179e-17 1.240e-17 -16.928 -16.907 0.022 (0) -O(0) 1.312e-15 - O2 6.558e-16 6.898e-16 -15.183 -15.161 0.022 32.99 +O(0) 1.314e-15 + O2 6.568e-16 6.908e-16 -15.183 -15.161 0.022 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.532 -94.702 -0.170 21.49 - H2S 0.000e+00 0.000e+00 -94.883 -94.861 0.022 43.89 - S-2 0.000e+00 0.000e+00 -99.041 -99.632 -0.591 (0) - (H2S)2 0.000e+00 0.000e+00 -190.654 -190.632 0.022 26.89 + HS- 0.000e+00 0.000e+00 -94.533 -94.703 -0.170 21.49 + H2S 0.000e+00 0.000e+00 -94.884 -94.862 0.022 43.89 + S-2 0.000e+00 0.000e+00 -99.042 -99.633 -0.591 (0) + (H2S)2 0.000e+00 0.000e+00 -190.657 -190.635 0.022 26.89 S(6) 1.064e-01 SO4-2 5.647e-02 1.419e-02 -1.248 -1.848 -0.600 28.58 NaSO4- 4.994e-02 3.606e-02 -1.302 -1.443 -0.141 2.99 @@ -17555,7 +17361,7 @@ S(6) 1.064e-01 H2S(g) -93.48 -101.42 -7.94 H2S Mirabilite -3.87 -3.73 0.14 Na2SO4:10H2O O2(g) -12.06 -15.16 -3.10 O2 - Sulfur -70.38 -66.49 3.88 S + Sulfur -70.38 -66.50 3.88 S Thenardite -3.15 -3.71 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17593,7 +17399,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.732 Charge balance - pe = 7.466 Adjusted to redox equilibrium + pe = 7.469 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 50655 Density (g/cm³) = 0.99297 Volume (L) = 1.02853 @@ -17601,9 +17407,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.944e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.182e-15 + Total alkalinity (eq/kg) = -3.035e-15 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.405e-10 + Electrical balance (eq) = 1.249e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -17617,19 +17423,18 @@ Reaction 1. OH- 1.693e-06 1.102e-06 -5.771 -5.958 -0.187 -3.33 H+ 2.417e-07 1.851e-07 -6.617 -6.732 -0.116 0.00 H2O 5.551e+01 9.937e-01 1.744 -0.003 0.000 18.48 -H(0) 3.462e-32 - H2 1.731e-32 1.853e-32 -31.762 -31.732 0.029 28.58 +H(0) 3.409e-32 + H2 1.704e-32 1.824e-32 -31.768 -31.739 0.029 28.58 Na 3.000e-01 Na+ 2.222e-01 1.569e-01 -0.653 -0.804 -0.151 0.59 NaSO4- 7.779e-02 5.474e-02 -1.109 -1.262 -0.153 4.93 - NaOH 1.615e-17 1.728e-17 -16.792 -16.762 0.029 (0) -O(0) 1.477e-15 - O2 7.383e-16 7.901e-16 -15.132 -15.102 0.029 32.99 +O(0) 1.524e-15 + O2 7.618e-16 8.152e-16 -15.118 -15.089 0.029 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.597 -94.784 -0.187 21.60 - H2S 0.000e+00 0.000e+00 -94.990 -94.961 0.029 43.89 - S-2 0.000e+00 0.000e+00 -99.055 -99.695 -0.640 (0) - (H2S)2 0.000e+00 0.000e+00 -190.862 -190.832 0.029 26.89 + HS- 0.000e+00 0.000e+00 -94.624 -94.811 -0.187 21.60 + H2S 0.000e+00 0.000e+00 -95.017 -94.988 0.029 43.89 + S-2 0.000e+00 0.000e+00 -99.083 -99.722 -0.640 (0) + (H2S)2 0.000e+00 0.000e+00 -190.916 -190.886 0.029 26.89 S(6) 1.500e-01 NaSO4- 7.779e-02 5.474e-02 -1.109 -1.262 -0.153 4.93 SO4-2 7.220e-02 1.611e-02 -1.141 -1.793 -0.652 30.54 @@ -17639,12 +17444,12 @@ S(6) 1.500e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.60 -31.73 -3.13 H2 + H2(g) -28.61 -31.74 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -93.58 -101.52 -7.94 H2S + H2S(g) -93.60 -101.54 -7.94 H2S Mirabilite -3.57 -3.43 0.14 Na2SO4:10H2O - O2(g) -12.00 -15.10 -3.10 O2 - Sulfur -70.45 -66.56 3.88 S + O2(g) -11.99 -15.09 -3.10 O2 + Sulfur -70.47 -66.58 3.88 S Thenardite -2.84 -3.40 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17682,7 +17487,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.744 Charge balance - pe = 7.522 Adjusted to redox equilibrium + pe = 7.519 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 62656 Density (g/cm³) = 0.99826 Volume (L) = 1.02949 @@ -17690,9 +17495,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.681e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.805e-17 + Total alkalinity (eq/kg) = -3.196e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 6.577e-11 + Electrical balance (eq) = 5.564e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -17706,19 +17511,18 @@ Reaction 1. OH- 1.789e-06 1.130e-06 -5.747 -5.947 -0.200 -3.15 H+ 2.379e-07 1.802e-07 -6.624 -6.744 -0.121 0.00 H2O 5.551e+01 9.919e-01 1.744 -0.004 0.000 18.48 -H(0) 2.489e-32 - H2 1.245e-32 1.355e-32 -31.905 -31.868 0.037 28.58 +H(0) 2.524e-32 + H2 1.262e-32 1.374e-32 -31.899 -31.862 0.037 28.58 Na 3.900e-01 Na+ 2.815e-01 1.964e-01 -0.550 -0.707 -0.156 0.64 NaSO4- 1.085e-01 7.484e-02 -0.965 -1.126 -0.161 6.50 - NaOH 2.038e-17 2.218e-17 -16.691 -16.654 0.037 (0) -O(0) 2.706e-15 - O2 1.353e-15 1.473e-15 -14.869 -14.832 0.037 32.99 +O(0) 2.631e-15 + O2 1.316e-15 1.432e-15 -14.881 -14.844 0.037 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.098 -95.298 -0.200 21.70 - H2S 0.000e+00 0.000e+00 -95.523 -95.487 0.037 43.89 - S-2 0.000e+00 0.000e+00 -99.521 -100.198 -0.677 (0) - (H2S)2 0.000e+00 0.000e+00 -191.921 -191.884 0.037 26.89 + HS- 0.000e+00 0.000e+00 -95.074 -95.273 -0.200 21.70 + H2S 0.000e+00 0.000e+00 -95.499 -95.462 0.037 43.89 + S-2 0.000e+00 0.000e+00 -99.496 -100.173 -0.677 (0) + (H2S)2 0.000e+00 0.000e+00 -191.872 -191.835 0.037 26.89 S(6) 1.950e-01 NaSO4- 1.085e-01 7.484e-02 -0.965 -1.126 -0.161 6.50 SO4-2 8.653e-02 1.759e-02 -1.063 -1.755 -0.692 32.22 @@ -17728,12 +17532,12 @@ S(6) 1.950e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.74 -31.87 -3.13 H2 + H2(g) -28.73 -31.86 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -94.10 -102.04 -7.94 H2S + H2S(g) -94.08 -102.02 -7.94 H2S Mirabilite -3.35 -3.20 0.14 Na2SO4:10H2O - O2(g) -11.73 -14.83 -3.10 O2 - Sulfur -70.84 -66.95 3.88 S + O2(g) -11.75 -14.84 -3.10 O2 + Sulfur -70.82 -66.94 3.88 S Thenardite -2.61 -3.17 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17771,7 +17575,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.746 Charge balance - pe = -0.952 Adjusted to redox equilibrium + pe = -0.956 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 64949 Density (g/cm³) = 0.99931 Volume (L) = 1.02968 @@ -17779,9 +17583,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.823e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.229e-17 + Total alkalinity (eq/kg) = 9.130e-18 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.768e-12 + Electrical balance (eq) = 1.698e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -17795,19 +17599,18 @@ Reaction 1. OH- 1.805e-06 1.134e-06 -5.744 -5.945 -0.202 -3.12 H+ 2.373e-07 1.795e-07 -6.625 -6.746 -0.121 0.00 H2O 5.551e+01 9.916e-01 1.744 -0.004 0.000 18.48 -H(0) 2.190e-15 - H2 1.095e-15 1.196e-15 -14.961 -14.922 0.038 28.58 +H(0) 2.228e-15 + H2 1.114e-15 1.216e-15 -14.953 -14.915 0.038 28.58 Na 4.079e-01 Na+ 2.931e-01 2.041e-01 -0.533 -0.690 -0.157 0.65 NaSO4- 1.147e-01 7.891e-02 -0.940 -1.103 -0.163 6.77 - NaOH 2.119e-17 2.314e-17 -16.674 -16.636 0.038 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.762 -48.724 0.038 32.99 -S(-2) 6.755e-28 - HS- 4.928e-28 3.096e-28 -27.307 -27.509 -0.202 21.72 - H2S 1.827e-28 1.996e-28 -27.738 -27.700 0.038 43.89 - S-2 1.889e-32 3.914e-33 -31.724 -32.407 -0.684 (0) - (H2S)2 0.000e+00 0.000e+00 -56.349 -56.310 0.038 26.89 + O2 0.000e+00 0.000e+00 -48.777 -48.739 0.038 32.99 +S(-2) 7.229e-28 + HS- 5.274e-28 3.314e-28 -27.278 -27.480 -0.202 21.72 + H2S 1.956e-28 2.136e-28 -27.709 -27.670 0.038 43.89 + S-2 2.021e-32 4.189e-33 -31.694 -32.378 -0.684 (0) + (H2S)2 0.000e+00 0.000e+00 -56.290 -56.251 0.038 26.89 S(6) 2.039e-01 NaSO4- 1.147e-01 7.891e-02 -0.940 -1.103 -0.163 6.77 SO4-2 8.919e-02 1.784e-02 -1.050 -1.748 -0.699 32.52 @@ -17817,12 +17620,12 @@ S(6) 2.039e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.79 -14.92 -3.13 H2 + H2(g) -11.78 -14.91 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -26.32 -34.26 -7.94 H2S + H2S(g) -26.29 -34.23 -7.94 H2S Mirabilite -3.31 -3.17 0.14 Na2SO4:10H2O - O2(g) -45.63 -48.72 -3.10 O2 - Sulfur -19.99 -16.11 3.88 S + O2(g) -45.64 -48.74 -3.10 O2 + Sulfur -19.97 -16.09 3.88 S Thenardite -2.57 -3.13 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17860,7 +17663,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.747 Charge balance - pe = -1.011 Adjusted to redox equilibrium + pe = -1.021 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 66391 Density (g/cm³) = 0.99997 Volume (L) = 1.02981 @@ -17868,9 +17671,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 3.913e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.043e-16 + Total alkalinity (eq/kg) = 8.235e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.232e-13 + Electrical balance (eq) = 2.884e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -17884,19 +17687,18 @@ Reaction 1. OH- 1.814e-06 1.136e-06 -5.741 -5.944 -0.203 -3.10 H+ 2.370e-07 1.790e-07 -6.625 -6.747 -0.122 0.00 H2O 5.551e+01 9.913e-01 1.744 -0.004 0.000 18.48 -H(0) 2.852e-15 - H2 1.426e-15 1.561e-15 -14.846 -14.807 0.039 28.58 +H(0) 2.985e-15 + H2 1.493e-15 1.633e-15 -14.826 -14.787 0.039 28.58 Na 4.192e-01 Na+ 3.005e-01 2.090e-01 -0.522 -0.680 -0.158 0.66 NaSO4- 1.188e-01 8.150e-02 -0.925 -1.089 -0.163 6.94 - NaOH 2.170e-17 2.375e-17 -16.663 -16.624 0.039 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.994 -48.955 0.039 32.99 -S(-2) 1.975e-27 - HS- 1.443e-27 9.042e-28 -26.841 -27.044 -0.203 21.73 - H2S 5.312e-28 5.813e-28 -27.275 -27.236 0.039 43.89 - S-2 5.578e-32 1.146e-32 -31.254 -31.941 -0.687 (0) - (H2S)2 0.000e+00 0.000e+00 -55.421 -55.382 0.039 26.89 + O2 0.000e+00 0.000e+00 -49.034 -48.995 0.039 32.99 +S(-2) 2.370e-27 + HS- 1.732e-27 1.085e-27 -26.761 -26.965 -0.203 21.73 + H2S 6.375e-28 6.976e-28 -27.196 -27.156 0.039 43.89 + S-2 6.693e-32 1.375e-32 -31.174 -31.862 -0.687 (0) + (H2S)2 0.000e+00 0.000e+00 -55.262 -55.223 0.039 26.89 S(6) 2.096e-01 NaSO4- 1.188e-01 8.150e-02 -0.925 -1.089 -0.163 6.94 SO4-2 9.086e-02 1.800e-02 -1.042 -1.745 -0.703 32.71 @@ -17906,12 +17708,12 @@ S(6) 2.096e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.67 -14.81 -3.13 H2 + H2(g) -11.65 -14.79 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -25.85 -33.79 -7.94 H2S + H2S(g) -25.77 -33.71 -7.94 H2S Mirabilite -3.29 -3.14 0.14 Na2SO4:10H2O - O2(g) -45.86 -48.96 -3.10 O2 - Sulfur -19.65 -15.76 3.88 S + O2(g) -45.90 -48.99 -3.10 O2 + Sulfur -19.59 -15.70 3.88 S Thenardite -2.54 -3.10 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -17949,7 +17751,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.751 Charge balance - pe = 7.517 Adjusted to redox equilibrium + pe = 7.516 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 72953 Density (g/cm³) = 1.00303 Volume (L) = 1.03040 @@ -17957,9 +17759,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.326e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.841e-17 + Total alkalinity (eq/kg) = 5.985e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 8.174e-12 + Electrical balance (eq) = 7.594e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -17973,19 +17775,18 @@ Reaction 1. OH- 1.855e-06 1.146e-06 -5.732 -5.941 -0.209 -3.00 H+ 2.359e-07 1.773e-07 -6.627 -6.751 -0.124 0.00 H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.48 -H(0) 2.434e-32 - H2 1.217e-32 1.344e-32 -31.915 -31.871 0.043 28.58 +H(0) 2.444e-32 + H2 1.222e-32 1.350e-32 -31.913 -31.870 0.043 28.58 Na 4.720e-01 Na+ 3.343e-01 2.316e-01 -0.476 -0.635 -0.159 0.68 NaSO4- 1.377e-01 9.368e-02 -0.861 -1.028 -0.167 7.68 - NaOH 2.403e-17 2.655e-17 -16.619 -16.576 0.043 (0) -O(0) 2.698e-15 - O2 1.349e-15 1.490e-15 -14.870 -14.827 0.043 32.99 +O(0) 2.676e-15 + O2 1.338e-15 1.478e-15 -14.873 -14.830 0.043 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.080 -95.289 -0.209 21.78 - H2S 0.000e+00 0.000e+00 -95.529 -95.485 0.043 43.89 - S-2 0.000e+00 0.000e+00 -99.478 -100.182 -0.704 (0) - (H2S)2 0.000e+00 0.000e+00 -191.924 -191.881 0.043 26.89 + HS- 0.000e+00 0.000e+00 -95.073 -95.282 -0.209 21.78 + H2S 0.000e+00 0.000e+00 -95.522 -95.478 0.043 43.89 + S-2 0.000e+00 0.000e+00 -99.471 -100.175 -0.704 (0) + (H2S)2 0.000e+00 0.000e+00 -191.910 -191.867 0.043 26.89 S(6) 2.360e-01 NaSO4- 1.377e-01 9.368e-02 -0.861 -1.028 -0.167 7.68 SO4-2 9.831e-02 1.867e-02 -1.007 -1.729 -0.721 33.55 @@ -17997,10 +17798,10 @@ S(6) 2.360e-01 H2(g) -28.74 -31.87 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -94.10 -102.04 -7.94 H2S + H2S(g) -94.09 -102.03 -7.94 H2S Mirabilite -3.18 -3.04 0.14 Na2SO4:10H2O O2(g) -11.73 -14.83 -3.10 O2 - Sulfur -70.83 -66.95 3.88 S + Sulfur -70.83 -66.94 3.88 S Thenardite -2.44 -3.00 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18038,7 +17839,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.759 Charge balance - pe = 7.522 Adjusted to redox equilibrium + pe = 7.517 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 91332 Density (g/cm³) = 1.01208 Volume (L) = 1.03224 @@ -18046,9 +17847,9 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.515e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.239e-17 + Total alkalinity (eq/kg) = 3.725e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = -9.515e-14 + Electrical balance (eq) = -2.667e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -18062,19 +17863,18 @@ Reaction 1. OH- 1.946e-06 1.163e-06 -5.711 -5.934 -0.223 -2.75 H+ 2.343e-07 1.742e-07 -6.630 -6.759 -0.129 0.00 H2O 5.551e+01 9.873e-01 1.744 -0.006 0.000 18.48 -H(0) 2.229e-32 - H2 1.114e-32 1.265e-32 -31.953 -31.898 0.055 28.58 +H(0) 2.284e-32 + H2 1.142e-32 1.297e-32 -31.942 -31.887 0.055 28.58 Na 6.296e-01 Na+ 4.331e-01 2.982e-01 -0.363 -0.526 -0.162 0.75 NaSO4- 1.964e-01 1.309e-01 -0.707 -0.883 -0.176 9.55 - NaOH 3.055e-17 3.469e-17 -16.515 -16.460 0.055 (0) -O(0) 2.946e-15 - O2 1.473e-15 1.672e-15 -14.832 -14.777 0.055 32.99 +O(0) 2.805e-15 + O2 1.402e-15 1.592e-15 -14.853 -14.798 0.055 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.138 -95.362 -0.223 21.91 - H2S 0.000e+00 0.000e+00 -95.621 -95.566 0.055 43.89 - S-2 0.000e+00 0.000e+00 -99.502 -100.247 -0.745 (0) - (H2S)2 0.000e+00 0.000e+00 -192.097 -192.042 0.055 26.89 + HS- 0.000e+00 0.000e+00 -95.096 -95.319 -0.223 21.91 + H2S 0.000e+00 0.000e+00 -95.578 -95.523 0.055 43.89 + S-2 0.000e+00 0.000e+00 -99.460 -100.204 -0.745 (0) + (H2S)2 0.000e+00 0.000e+00 -192.011 -191.956 0.055 26.89 S(6) 3.148e-01 NaSO4- 1.964e-01 1.309e-01 -0.707 -0.883 -0.176 9.55 SO4-2 1.184e-01 2.026e-02 -0.927 -1.693 -0.767 35.73 @@ -18084,12 +17884,12 @@ S(6) 3.148e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.77 -31.90 -3.13 H2 + H2(g) -28.75 -31.89 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -94.18 -102.12 -7.94 H2S + H2S(g) -94.14 -102.08 -7.94 H2S Mirabilite -2.94 -2.80 0.14 Na2SO4:10H2O - O2(g) -11.68 -14.78 -3.10 O2 - Sulfur -70.88 -67.00 3.88 S + O2(g) -11.70 -14.80 -3.10 O2 + Sulfur -70.85 -66.97 3.88 S Thenardite -2.18 -2.74 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18135,10 +17935,10 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.628e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.085e-17 + Total alkalinity (eq/kg) = 1.222e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = -1.171e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.308e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 Total O = 5.707390e+01 @@ -18151,19 +17951,18 @@ Reaction 1. OH- 2.005e-06 1.169e-06 -5.698 -5.932 -0.234 -2.51 H+ 2.345e-07 1.729e-07 -6.630 -6.762 -0.132 0.00 H2O 5.551e+01 9.844e-01 1.744 -0.007 0.000 18.48 -H(0) 2.105e-32 - H2 1.053e-32 1.226e-32 -31.978 -31.911 0.066 28.58 +H(0) 2.108e-32 + H2 1.054e-32 1.228e-32 -31.977 -31.911 0.066 28.58 Na 7.838e-01 Na+ 5.274e-01 3.628e-01 -0.278 -0.440 -0.162 0.80 NaSO4- 2.565e-01 1.683e-01 -0.591 -0.774 -0.183 11.03 - NaOH 3.640e-17 4.240e-17 -16.439 -16.373 0.066 (0) -O(0) 3.039e-15 - O2 1.520e-15 1.770e-15 -14.818 -14.752 0.066 32.99 +O(0) 3.030e-15 + O2 1.515e-15 1.765e-15 -14.820 -14.753 0.066 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.156 -95.390 -0.234 22.02 - H2S 0.000e+00 0.000e+00 -95.664 -95.597 0.066 43.89 - S-2 0.000e+00 0.000e+00 -99.498 -100.272 -0.775 (0) - (H2S)2 0.000e+00 0.000e+00 -192.172 -192.105 0.066 26.89 + HS- 0.000e+00 0.000e+00 -95.153 -95.388 -0.234 22.02 + H2S 0.000e+00 0.000e+00 -95.661 -95.595 0.066 43.89 + S-2 0.000e+00 0.000e+00 -99.495 -100.270 -0.775 (0) + (H2S)2 0.000e+00 0.000e+00 -192.166 -192.100 0.066 26.89 S(6) 3.919e-01 NaSO4- 2.565e-01 1.683e-01 -0.591 -0.774 -0.183 11.03 SO4-2 1.354e-01 2.140e-02 -0.868 -1.670 -0.801 37.56 @@ -18177,7 +17976,7 @@ S(6) 3.919e-01 H2O(g) -0.43 -0.01 0.42 H2O H2S(g) -94.21 -102.15 -7.94 H2S Mirabilite -2.76 -2.62 0.14 Na2SO4:10H2O - O2(g) -11.65 -14.75 -3.10 O2 + O2(g) -11.66 -14.75 -3.10 O2 Sulfur -70.90 -67.02 3.88 S Thenardite -1.99 -2.55 -0.56 Na2SO4 @@ -18216,7 +18015,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.762 Charge balance - pe = 7.450 Adjusted to redox equilibrium + pe = 7.458 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 107999 Density (g/cm³) = 1.02089 Volume (L) = 1.03417 @@ -18224,9 +18023,9 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.639e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.559e-16 + Total alkalinity (eq/kg) = 1.341e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = -7.040e-11 + Electrical balance (eq) = -4.217e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -18240,19 +18039,18 @@ Reaction 1. OH- 2.005e-06 1.169e-06 -5.698 -5.932 -0.234 -2.51 H+ 2.345e-07 1.729e-07 -6.630 -6.762 -0.132 0.00 H2O 5.551e+01 9.843e-01 1.744 -0.007 0.000 18.48 -H(0) 2.988e-32 - H2 1.494e-32 1.741e-32 -31.826 -31.759 0.066 28.58 +H(0) 2.877e-32 + H2 1.438e-32 1.676e-32 -31.842 -31.776 0.066 28.58 Na 7.854e-01 Na+ 5.283e-01 3.635e-01 -0.277 -0.440 -0.162 0.80 NaSO4- 2.571e-01 1.686e-01 -0.590 -0.773 -0.183 11.04 - NaOH 3.645e-17 4.247e-17 -16.438 -16.372 0.066 (0) -O(0) 1.507e-15 - O2 7.536e-16 8.781e-16 -15.123 -15.056 0.066 32.99 +O(0) 1.626e-15 + O2 8.132e-16 9.476e-16 -15.090 -15.023 0.066 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.547 -94.781 -0.234 22.02 - H2S 0.000e+00 0.000e+00 -95.055 -94.988 0.066 43.89 - S-2 0.000e+00 0.000e+00 -98.888 -99.663 -0.775 (0) - (H2S)2 0.000e+00 0.000e+00 -190.953 -190.887 0.066 26.89 + HS- 0.000e+00 0.000e+00 -94.613 -94.847 -0.234 22.02 + H2S 0.000e+00 0.000e+00 -95.121 -95.054 0.066 43.89 + S-2 0.000e+00 0.000e+00 -98.954 -99.729 -0.775 (0) + (H2S)2 0.000e+00 0.000e+00 -191.086 -191.019 0.066 26.89 S(6) 3.927e-01 NaSO4- 2.571e-01 1.686e-01 -0.590 -0.773 -0.183 11.04 SO4-2 1.356e-01 2.141e-02 -0.868 -1.669 -0.802 37.58 @@ -18262,12 +18060,12 @@ S(6) 3.927e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.63 -31.76 -3.13 H2 + H2(g) -28.64 -31.78 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -93.60 -101.54 -7.94 H2S + H2S(g) -93.67 -101.61 -7.94 H2S Mirabilite -2.76 -2.62 0.14 Na2SO4:10H2O - O2(g) -11.96 -15.06 -3.10 O2 - Sulfur -70.45 -66.56 3.88 S + O2(g) -11.93 -15.02 -3.10 O2 + Sulfur -70.50 -66.61 3.88 S Thenardite -1.99 -2.55 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18305,7 +18103,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.763 Charge balance - pe = -1.212 Adjusted to redox equilibrium + pe = -1.194 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 123694 Density (g/cm³) = 1.02975 Volume (L) = 1.03623 @@ -18313,9 +18111,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 7.744e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.862e-17 + Total alkalinity (eq/kg) = 5.947e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 5.546e-14 + Electrical balance (eq) = 5.485e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -18329,19 +18127,18 @@ Reaction 1. OH- 2.045e-06 1.167e-06 -5.689 -5.933 -0.244 -2.29 H+ 2.358e-07 1.727e-07 -6.627 -6.763 -0.135 0.00 H2O 5.551e+01 9.814e-01 1.744 -0.008 0.000 18.48 -H(0) 6.119e-15 - H2 3.060e-15 3.657e-15 -14.514 -14.437 0.077 28.58 +H(0) 5.624e-15 + H2 2.812e-15 3.361e-15 -14.551 -14.474 0.077 28.58 Na 9.442e-01 Na+ 6.233e-01 4.300e-01 -0.205 -0.367 -0.161 0.85 NaSO4- 3.209e-01 2.078e-01 -0.494 -0.682 -0.189 12.33 - NaOH 4.197e-17 5.016e-17 -16.377 -16.300 0.077 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.781 -49.704 0.077 32.99 -S(-2) 7.705e-26 - HS- 5.945e-26 3.392e-26 -25.226 -25.470 -0.244 22.12 - H2S 1.760e-26 2.103e-26 -25.755 -25.677 0.077 43.89 - S-2 2.812e-30 4.457e-31 -29.551 -30.351 -0.800 (0) - (H2S)2 0.000e+00 0.000e+00 -52.342 -52.265 0.077 26.89 + O2 0.000e+00 0.000e+00 -49.708 -49.630 0.077 32.99 +S(-2) 5.498e-26 + HS- 4.242e-26 2.420e-26 -25.372 -25.616 -0.244 22.12 + H2S 1.256e-26 1.501e-26 -25.901 -25.824 0.077 43.89 + S-2 2.007e-30 3.180e-31 -29.698 -30.498 -0.800 (0) + (H2S)2 0.000e+00 0.000e+00 -52.635 -52.558 0.077 26.89 S(6) 4.721e-01 NaSO4- 3.209e-01 2.078e-01 -0.494 -0.682 -0.189 12.33 SO4-2 1.512e-01 2.231e-02 -0.821 -1.652 -0.831 39.24 @@ -18351,12 +18148,12 @@ S(6) 4.721e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.30 -14.44 -3.13 H2 + H2(g) -11.34 -14.47 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -24.29 -32.23 -7.94 H2S + H2S(g) -24.44 -32.38 -7.94 H2S Mirabilite -2.61 -2.47 0.14 Na2SO4:10H2O - O2(g) -46.61 -49.70 -3.10 O2 - Sulfur -18.46 -14.58 3.88 S + O2(g) -46.53 -49.63 -3.10 O2 + Sulfur -18.57 -14.69 3.88 S Thenardite -1.82 -2.38 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18394,7 +18191,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.763 Charge balance - pe = -1.100 Adjusted to redox equilibrium + pe = -1.094 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 127834 Density (g/cm³) = 1.03218 Volume (L) = 1.03681 @@ -18402,9 +18199,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 8.044e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.621e-17 + Total alkalinity (eq/kg) = 1.164e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.044e-13 + Electrical balance (eq) = 1.093e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -18418,19 +18215,18 @@ Reaction 1. OH- 2.053e-06 1.165e-06 -5.688 -5.934 -0.246 -2.23 H+ 2.363e-07 1.727e-07 -6.627 -6.763 -0.136 0.00 H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.48 -H(0) 3.636e-15 - H2 1.818e-15 2.188e-15 -14.740 -14.660 0.080 28.58 +H(0) 3.530e-15 + H2 1.765e-15 2.124e-15 -14.753 -14.673 0.080 28.58 Na 9.882e-01 Na+ 6.493e-01 4.485e-01 -0.188 -0.348 -0.161 0.86 NaSO4- 3.389e-01 2.188e-01 -0.470 -0.660 -0.190 12.66 - NaOH 4.342e-17 5.226e-17 -16.362 -16.282 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.339 -49.258 0.080 32.99 -S(-2) 1.003e-26 - HS- 7.758e-27 4.403e-27 -26.110 -26.356 -0.246 22.15 - H2S 2.269e-27 2.731e-27 -26.644 -26.564 0.080 43.89 - S-2 3.701e-31 5.783e-32 -30.432 -31.238 -0.806 (0) - (H2S)2 0.000e+00 0.000e+00 -54.118 -54.038 0.080 26.89 + O2 0.000e+00 0.000e+00 -49.313 -49.233 0.080 32.99 +S(-2) 8.915e-27 + HS- 6.897e-27 3.915e-27 -26.161 -26.407 -0.246 22.15 + H2S 2.018e-27 2.428e-27 -26.695 -26.615 0.080 43.89 + S-2 3.290e-31 5.141e-32 -30.483 -31.289 -0.806 (0) + (H2S)2 0.000e+00 0.000e+00 -54.220 -54.140 0.080 26.89 S(6) 4.941e-01 NaSO4- 3.389e-01 2.188e-01 -0.470 -0.660 -0.190 12.66 SO4-2 1.552e-01 2.252e-02 -0.809 -1.648 -0.838 39.66 @@ -18440,12 +18236,12 @@ S(6) 4.941e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.53 -14.66 -3.13 H2 + H2(g) -11.54 -14.67 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -25.18 -33.12 -7.94 H2S + H2S(g) -25.23 -33.17 -7.94 H2S Mirabilite -2.57 -2.43 0.14 Na2SO4:10H2O - O2(g) -46.16 -49.26 -3.10 O2 - Sulfur -19.12 -15.24 3.88 S + O2(g) -46.13 -49.23 -3.10 O2 + Sulfur -19.16 -15.28 3.88 S Thenardite -1.78 -2.34 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18483,7 +18279,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.763 Charge balance - pe = -1.154 Adjusted to redox equilibrium + pe = -1.173 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 128498 Density (g/cm³) = 1.03258 Volume (L) = 1.03691 @@ -18491,9 +18287,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.093e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.588e-16 + Total alkalinity (eq/kg) = 1.033e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 9.431e-14 + Electrical balance (eq) = 9.920e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -18507,19 +18303,18 @@ Reaction 1. OH- 2.054e-06 1.165e-06 -5.687 -5.934 -0.246 -2.22 H+ 2.363e-07 1.727e-07 -6.626 -6.763 -0.136 0.00 H2O 5.551e+01 9.804e-01 1.744 -0.009 0.000 18.48 -H(0) 4.660e-15 - H2 2.330e-15 2.808e-15 -14.633 -14.552 0.081 28.58 +H(0) 5.084e-15 + H2 2.542e-15 3.063e-15 -14.595 -14.514 0.081 28.58 Na 9.953e-01 Na+ 6.535e-01 4.515e-01 -0.185 -0.345 -0.161 0.86 NaSO4- 3.419e-01 2.206e-01 -0.466 -0.656 -0.190 12.71 - NaOH 4.365e-17 5.259e-17 -16.360 -16.279 0.081 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.556 -49.475 0.081 32.99 -S(-2) 2.726e-26 - HS- 2.110e-26 1.197e-26 -25.676 -25.922 -0.246 22.15 - H2S 6.162e-27 7.424e-27 -26.210 -26.129 0.081 43.89 - S-2 1.008e-30 1.572e-31 -29.997 -30.804 -0.807 (0) - (H2S)2 0.000e+00 0.000e+00 -53.250 -53.169 0.081 26.89 + O2 0.000e+00 0.000e+00 -49.632 -49.551 0.081 32.99 +S(-2) 3.861e-26 + HS- 2.989e-26 1.695e-26 -25.525 -25.771 -0.246 22.15 + H2S 8.727e-27 1.051e-26 -26.059 -25.978 0.081 43.89 + S-2 1.427e-30 2.226e-31 -29.845 -30.653 -0.807 (0) + (H2S)2 0.000e+00 0.000e+00 -52.948 -52.867 0.081 26.89 S(6) 4.977e-01 NaSO4- 3.419e-01 2.206e-01 -0.466 -0.656 -0.190 12.71 SO4-2 1.558e-01 2.255e-02 -0.807 -1.647 -0.839 39.73 @@ -18529,12 +18324,12 @@ S(6) 4.977e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.42 -14.55 -3.13 H2 + H2(g) -11.38 -14.51 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -24.75 -32.68 -7.94 H2S + H2S(g) -24.59 -32.53 -7.94 H2S Mirabilite -2.57 -2.42 0.14 Na2SO4:10H2O - O2(g) -46.38 -49.48 -3.10 O2 - Sulfur -18.79 -14.91 3.88 S + O2(g) -46.45 -49.55 -3.10 O2 + Sulfur -18.68 -14.80 3.88 S Thenardite -1.78 -2.34 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18572,7 +18367,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.760 Charge balance - pe = 7.520 Adjusted to redox equilibrium + pe = 7.526 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 145551 Density (g/cm³) = 1.04308 Volume (L) = 1.03954 @@ -18580,9 +18375,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 9.374e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.806e-17 + Total alkalinity (eq/kg) = -7.916e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.886e-12 + Electrical balance (eq) = 1.809e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -18596,19 +18391,18 @@ Reaction 1. OH- 2.078e-06 1.155e-06 -5.682 -5.937 -0.255 -1.98 H+ 2.390e-07 1.736e-07 -6.622 -6.760 -0.139 0.00 H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 18.48 -H(0) 2.049e-32 - H2 1.025e-32 1.271e-32 -31.989 -31.896 0.094 28.58 +H(0) 1.996e-32 + H2 9.980e-33 1.238e-32 -32.001 -31.907 0.094 28.58 Na 1.187e+00 Na+ 7.655e-01 5.327e-01 -0.116 -0.274 -0.157 0.91 NaSO4- 4.218e-01 2.689e-01 -0.375 -0.570 -0.195 14.00 - NaOH 4.957e-17 6.152e-17 -16.305 -16.211 0.094 (0) -O(0) 2.614e-15 - O2 1.307e-15 1.622e-15 -14.884 -14.790 0.094 32.99 +O(0) 2.754e-15 + O2 1.377e-15 1.709e-15 -14.861 -14.767 0.094 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.021 -95.276 -0.255 22.26 - H2S 0.000e+00 0.000e+00 -95.575 -95.481 0.094 43.89 - S-2 0.000e+00 0.000e+00 -99.329 -100.160 -0.830 (0) - (H2S)2 0.000e+00 0.000e+00 -191.966 -191.872 0.094 26.89 + HS- 0.000e+00 0.000e+00 -95.066 -95.321 -0.255 22.26 + H2S 0.000e+00 0.000e+00 -95.620 -95.526 0.094 43.89 + S-2 0.000e+00 0.000e+00 -99.375 -100.205 -0.830 (0) + (H2S)2 0.000e+00 0.000e+00 -192.057 -191.963 0.094 26.89 S(6) 5.936e-01 NaSO4- 4.218e-01 2.689e-01 -0.375 -0.570 -0.195 14.00 SO4-2 1.719e-01 2.330e-02 -0.765 -1.633 -0.868 41.46 @@ -18618,12 +18412,12 @@ S(6) 5.936e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.76 -31.90 -3.13 H2 + H2(g) -28.77 -31.91 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -94.10 -102.04 -7.94 H2S + H2S(g) -94.14 -102.08 -7.94 H2S Mirabilite -2.42 -2.28 0.14 Na2SO4:10H2O - O2(g) -11.69 -14.79 -3.10 O2 - Sulfur -70.80 -66.92 3.88 S + O2(g) -11.67 -14.77 -3.10 O2 + Sulfur -70.84 -66.95 3.88 S Thenardite -1.62 -2.18 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18661,7 +18455,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.755 Charge balance - pe = -0.814 Adjusted to redox equilibrium + pe = -0.752 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 165892 Density (g/cm³) = 1.05668 Volume (L) = 1.04315 @@ -18669,9 +18463,9 @@ Reaction 1. Activity of water = 0.972 Ionic strength (mol/kgw) = 1.101e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.516e-17 + Total alkalinity (eq/kg) = 8.483e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 4.108e-14 + Electrical balance (eq) = 2.970e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 18 Total H = 1.110124e+02 @@ -18685,19 +18479,18 @@ Reaction 1. OH- 2.089e-06 1.136e-06 -5.680 -5.945 -0.265 -1.68 H+ 2.434e-07 1.757e-07 -6.614 -6.755 -0.142 0.00 H2O 5.551e+01 9.723e-01 1.744 -0.012 0.000 18.48 -H(0) 9.404e-16 - H2 4.702e-16 6.058e-16 -15.328 -15.218 0.110 28.58 +H(0) 7.059e-16 + H2 3.529e-16 4.547e-16 -15.452 -15.342 0.110 28.58 Na 1.440e+00 Na+ 9.104e-01 6.414e-01 -0.041 -0.193 -0.152 0.96 NaSO4- 5.297e-01 3.334e-01 -0.276 -0.477 -0.201 15.46 - NaOH 5.654e-17 7.285e-17 -16.248 -16.138 0.110 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.260 -48.150 0.110 32.99 -S(-2) 6.762e-29 - HS- 5.340e-29 2.903e-29 -28.272 -28.537 -0.265 22.38 - H2S 1.422e-29 1.832e-29 -28.847 -28.737 0.110 43.89 - S-2 2.688e-33 3.749e-34 -32.571 -33.426 -0.856 (0) - (H2S)2 0.000e+00 0.000e+00 -58.495 -58.385 0.110 26.89 + O2 0.000e+00 0.000e+00 -48.011 -47.901 0.110 32.99 +S(-2) 2.146e-29 + HS- 1.695e-29 9.216e-30 -28.771 -29.035 -0.265 22.38 + H2S 4.513e-30 5.815e-30 -29.346 -29.235 0.110 43.89 + S-2 8.532e-34 1.190e-34 -33.069 -33.924 -0.856 (0) + (H2S)2 0.000e+00 0.000e+00 -59.492 -59.381 0.110 26.89 S(6) 7.200e-01 NaSO4- 5.297e-01 3.334e-01 -0.276 -0.477 -0.201 15.46 SO4-2 1.904e-01 2.399e-02 -0.720 -1.620 -0.900 43.49 @@ -18707,12 +18500,12 @@ S(6) 7.200e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -12.08 -15.22 -3.13 H2 + H2(g) -12.21 -15.34 -3.13 H2 H2O(g) -0.44 -0.01 0.42 H2O - H2S(g) -27.35 -35.29 -7.94 H2S + H2S(g) -27.85 -35.79 -7.94 H2S Mirabilite -2.27 -2.13 0.14 Na2SO4:10H2O - O2(g) -45.05 -48.15 -3.10 O2 - Sulfur -20.74 -16.85 3.88 S + O2(g) -44.80 -47.90 -3.10 O2 + Sulfur -21.11 -17.23 3.88 S Thenardite -1.45 -2.01 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18750,7 +18543,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.751 Charge balance - pe = -1.077 Adjusted to redox equilibrium + pe = -1.033 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 178136 Density (g/cm³) = 1.06550 Volume (L) = 1.04562 @@ -18758,9 +18551,9 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 1.206e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.208e-16 + Total alkalinity (eq/kg) = -1.181e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 4.720e-12 + Electrical balance (eq) = 3.805e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -18774,19 +18567,18 @@ Reaction 1. OH- 2.087e-06 1.121e-06 -5.680 -5.950 -0.270 -1.49 H+ 2.467e-07 1.775e-07 -6.608 -6.751 -0.143 0.00 H2O 5.551e+01 9.693e-01 1.744 -0.014 0.000 18.48 -H(0) 3.142e-15 - H2 1.571e-15 2.074e-15 -14.804 -14.683 0.121 28.58 +H(0) 2.564e-15 + H2 1.282e-15 1.692e-15 -14.892 -14.771 0.121 28.58 Na 1.607e+00 Na+ 1.005e+00 7.144e-01 0.002 -0.146 -0.148 0.99 NaSO4- 6.022e-01 3.764e-01 -0.220 -0.424 -0.204 16.31 - NaOH 6.067e-17 8.008e-17 -16.217 -16.096 0.121 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.342 -49.222 0.121 32.99 -S(-2) 9.686e-27 - HS- 7.691e-27 4.131e-27 -26.114 -26.384 -0.270 22.46 - H2S 1.994e-27 2.633e-27 -26.700 -26.580 0.121 43.89 - S-2 3.910e-31 5.280e-32 -30.408 -31.277 -0.870 (0) - (H2S)2 0.000e+00 0.000e+00 -54.190 -54.070 0.121 26.89 + O2 0.000e+00 0.000e+00 -49.166 -49.045 0.121 32.99 +S(-2) 4.297e-27 + HS- 3.412e-27 1.833e-27 -26.467 -26.737 -0.270 22.46 + H2S 8.848e-28 1.168e-27 -27.053 -26.933 0.121 43.89 + S-2 1.735e-31 2.343e-32 -30.761 -31.630 -0.870 (0) + (H2S)2 0.000e+00 0.000e+00 -54.896 -54.776 0.121 26.89 S(6) 8.034e-01 NaSO4- 6.022e-01 3.764e-01 -0.220 -0.424 -0.204 16.31 SO4-2 2.012e-01 2.431e-02 -0.696 -1.614 -0.918 44.71 @@ -18796,12 +18588,12 @@ S(6) 8.034e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.55 -14.68 -3.13 H2 + H2(g) -11.64 -14.77 -3.13 H2 H2O(g) -0.44 -0.01 0.42 H2O - H2S(g) -25.20 -33.13 -7.94 H2S + H2S(g) -25.55 -33.49 -7.94 H2S Mirabilite -2.18 -2.04 0.14 Na2SO4:10H2O - O2(g) -46.12 -49.22 -3.10 O2 - Sulfur -19.11 -15.23 3.88 S + O2(g) -45.95 -49.05 -3.10 O2 + Sulfur -19.38 -15.50 3.88 S Thenardite -1.35 -1.91 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18839,7 +18631,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.739 Charge balance - pe = -1.109 Adjusted to redox equilibrium + pe = -1.051 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 203910 Density (g/cm³) = 1.08601 Volume (L) = 1.05172 @@ -18847,9 +18639,9 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.448e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.808e-16 + Total alkalinity (eq/kg) = 3.439e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.636e-11 + Electrical balance (eq) = 1.018e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -18863,19 +18655,18 @@ Reaction 1. OH- 2.064e-06 1.082e-06 -5.685 -5.966 -0.281 -1.06 H+ 2.556e-07 1.826e-07 -6.593 -6.739 -0.146 0.00 H2O 5.551e+01 9.622e-01 1.744 -0.017 0.000 18.48 -H(0) 3.656e-15 - H2 1.828e-15 2.551e-15 -14.738 -14.593 0.145 28.58 +H(0) 2.791e-15 + H2 1.395e-15 1.947e-15 -14.855 -14.711 0.145 28.58 Na 2.002e+00 Na+ 1.224e+00 8.929e-01 0.088 -0.049 -0.137 1.06 NaSO4- 7.777e-01 4.793e-01 -0.109 -0.319 -0.210 18.07 - NaOH 6.920e-17 9.658e-17 -16.160 -16.015 0.145 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.553 -49.408 0.145 32.99 -S(-2) 2.430e-26 - HS- 1.950e-26 1.022e-26 -25.710 -25.991 -0.281 22.62 - H2S 4.800e-27 6.699e-27 -26.319 -26.174 0.145 43.89 - S-2 1.001e-30 1.269e-31 -29.999 -30.896 -0.897 (0) - (H2S)2 0.000e+00 0.000e+00 -53.403 -53.258 0.145 26.89 + O2 0.000e+00 0.000e+00 -49.318 -49.174 0.145 32.99 +S(-2) 8.250e-27 + HS- 6.620e-27 3.469e-27 -26.179 -26.460 -0.281 22.62 + H2S 1.630e-27 2.275e-27 -26.788 -26.643 0.145 43.89 + S-2 3.400e-31 4.310e-32 -30.469 -31.366 -0.897 (0) + (H2S)2 0.000e+00 0.000e+00 -54.341 -54.197 0.145 26.89 S(6) 1.001e+00 NaSO4- 7.777e-01 4.793e-01 -0.109 -0.319 -0.210 18.07 SO4-2 2.233e-01 2.478e-02 -0.651 -1.606 -0.955 47.32 @@ -18885,12 +18676,12 @@ S(6) 1.001e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.46 -14.59 -3.13 H2 + H2(g) -11.58 -14.71 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -24.79 -32.73 -7.94 H2S + H2S(g) -25.26 -33.20 -7.94 H2S Mirabilite -2.01 -1.87 0.14 Na2SO4:10H2O - O2(g) -46.31 -49.41 -3.10 O2 - Sulfur -18.80 -14.92 3.88 S + O2(g) -46.08 -49.17 -3.10 O2 + Sulfur -19.15 -15.27 3.88 S Thenardite -1.14 -1.70 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -18928,7 +18719,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.738 Charge balance - pe = -0.974 Adjusted to redox equilibrium + pe = -1.088 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 204621 Density (g/cm³) = 1.08662 Volume (L) = 1.05191 @@ -18936,11 +18727,11 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.455e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.200e-16 + Total alkalinity (eq/kg) = -3.033e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 5.971e-11 + Electrical balance (eq) = 1.238e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.953402e+01 @@ -18952,19 +18743,18 @@ Reaction 1. OH- 2.063e-06 1.080e-06 -5.686 -5.966 -0.281 -1.05 H+ 2.558e-07 1.828e-07 -6.592 -6.738 -0.146 0.00 H2O 5.551e+01 9.620e-01 1.744 -0.017 0.000 18.48 -H(0) 1.962e-15 - H2 9.811e-16 1.371e-15 -15.008 -14.863 0.145 28.58 +H(0) 3.318e-15 + H2 1.659e-15 2.319e-15 -14.780 -14.635 0.145 28.58 Na 2.014e+00 Na+ 1.231e+00 8.984e-01 0.090 -0.047 -0.137 1.06 NaSO4- 7.830e-01 4.825e-01 -0.106 -0.317 -0.210 18.12 - NaOH 6.943e-17 9.706e-17 -16.158 -16.013 0.145 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.015 -48.869 0.145 32.99 -S(-2) 2.034e-27 - HS- 1.633e-27 8.550e-28 -26.787 -27.068 -0.281 22.62 - H2S 4.014e-28 5.611e-28 -27.396 -27.251 0.145 43.89 - S-2 8.386e-32 1.061e-32 -31.076 -31.974 -0.898 (0) - (H2S)2 0.000e+00 0.000e+00 -55.558 -55.412 0.145 26.89 + O2 0.000e+00 0.000e+00 -49.471 -49.325 0.145 32.99 +S(-2) 1.663e-26 + HS- 1.334e-26 6.988e-27 -25.875 -26.156 -0.281 22.62 + H2S 3.281e-27 4.586e-27 -26.484 -26.339 0.145 43.89 + S-2 6.854e-31 8.674e-32 -30.164 -31.062 -0.898 (0) + (H2S)2 0.000e+00 0.000e+00 -53.733 -53.588 0.145 26.89 S(6) 1.007e+00 NaSO4- 7.830e-01 4.825e-01 -0.106 -0.317 -0.210 18.12 SO4-2 2.239e-01 2.478e-02 -0.650 -1.606 -0.956 47.40 @@ -18974,12 +18764,12 @@ S(6) 1.007e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.73 -14.86 -3.13 H2 + H2(g) -11.50 -14.63 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -25.87 -33.81 -7.94 H2S + H2S(g) -24.96 -32.89 -7.94 H2S Mirabilite -2.01 -1.87 0.14 Na2SO4:10H2O - O2(g) -45.77 -48.87 -3.10 O2 - Sulfur -19.61 -15.72 3.88 S + O2(g) -46.23 -49.33 -3.10 O2 + Sulfur -18.92 -15.04 3.88 S Thenardite -1.14 -1.70 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19017,7 +18807,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.726 Charge balance - pe = -1.219 Adjusted to redox equilibrium + pe = -1.182 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 223790 Density (g/cm³) = 1.10413 Volume (L) = 1.05752 @@ -19025,9 +18815,9 @@ Reaction 1. Activity of water = 0.956 Ionic strength (mol/kgw) = 1.660e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.179e-16 + Total alkalinity (eq/kg) = 3.100e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.782e-11 + Electrical balance (eq) = 2.648e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -19041,19 +18831,18 @@ Reaction 1. OH- 2.028e-06 1.043e-06 -5.693 -5.982 -0.289 -0.70 H+ 2.644e-07 1.880e-07 -6.578 -6.726 -0.148 0.00 H2O 5.551e+01 9.558e-01 1.744 -0.020 0.000 18.48 -H(0) 6.107e-15 - H2 3.053e-15 4.475e-15 -14.515 -14.349 0.166 28.58 +H(0) 5.159e-15 + H2 2.579e-15 3.780e-15 -14.588 -14.422 0.166 28.58 Na 2.360e+00 Na+ 1.420e+00 1.062e+00 0.152 0.026 -0.126 1.11 NaSO4- 9.402e-01 5.737e-01 -0.027 -0.241 -0.215 19.44 - NaOH 7.561e-17 1.108e-16 -16.121 -15.955 0.166 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.068 -49.902 0.166 32.99 -S(-2) 2.474e-25 - HS- 2.000e-25 1.029e-25 -24.699 -24.987 -0.289 22.75 - H2S 4.741e-26 6.949e-26 -25.324 -25.158 0.166 43.89 - S-2 1.026e-29 1.242e-30 -28.989 -29.906 -0.917 (0) - (H2S)2 0.000e+00 0.000e+00 -51.393 -51.227 0.166 26.89 + O2 0.000e+00 0.000e+00 -49.922 -49.756 0.166 32.99 +S(-2) 1.260e-25 + HS- 1.018e-25 5.240e-26 -24.992 -25.281 -0.289 22.75 + H2S 2.414e-26 3.538e-26 -25.617 -25.451 0.166 43.89 + S-2 5.223e-30 6.323e-31 -29.282 -30.199 -0.917 (0) + (H2S)2 0.000e+00 0.000e+00 -51.979 -51.813 0.166 26.89 S(6) 1.180e+00 NaSO4- 9.402e-01 5.737e-01 -0.027 -0.241 -0.215 19.44 SO4-2 2.400e-01 2.493e-02 -0.620 -1.603 -0.983 49.43 @@ -19063,12 +18852,12 @@ S(6) 1.180e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.22 -14.35 -3.13 H2 + H2(g) -11.29 -14.42 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -23.77 -31.71 -7.94 H2S + H2S(g) -24.07 -32.01 -7.94 H2S Mirabilite -1.89 -1.75 0.14 Na2SO4:10H2O - O2(g) -46.80 -49.90 -3.10 O2 - Sulfur -18.03 -14.14 3.88 S + O2(g) -46.66 -49.76 -3.10 O2 + Sulfur -18.25 -14.36 3.88 S Thenardite -0.99 -1.55 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19106,7 +18895,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.723 Charge balance - pe = -1.072 Adjusted to redox equilibrium + pe = -1.083 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 226926 Density (g/cm³) = 1.10722 Volume (L) = 1.05855 @@ -19114,9 +18903,9 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.696e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.188e-17 + Total alkalinity (eq/kg) = 2.067e-18 Temperature (°C) = 75.00 - Electrical balance (eq) = 6.863e-11 + Electrical balance (eq) = 5.930e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -19130,19 +18919,18 @@ Reaction 1. OH- 2.020e-06 1.037e-06 -5.695 -5.984 -0.290 -0.64 H+ 2.660e-07 1.890e-07 -6.575 -6.723 -0.148 0.00 H2O 5.551e+01 9.547e-01 1.744 -0.020 0.000 18.48 -H(0) 3.109e-15 - H2 1.555e-15 2.297e-15 -14.808 -14.639 0.170 28.58 +H(0) 3.268e-15 + H2 1.634e-15 2.415e-15 -14.787 -14.617 0.170 28.58 Na 2.422e+00 Na+ 1.454e+00 1.092e+00 0.162 0.038 -0.124 1.12 NaSO4- 9.686e-01 5.901e-01 -0.014 -0.229 -0.215 19.66 - NaOH 7.661e-17 1.132e-16 -16.116 -15.946 0.170 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.494 -49.324 0.170 32.99 -S(-2) 1.739e-26 - HS- 1.408e-26 7.223e-27 -25.852 -26.141 -0.290 22.77 - H2S 3.318e-27 4.903e-27 -26.479 -26.310 0.170 43.89 - S-2 7.213e-31 8.669e-32 -30.142 -31.062 -0.920 (0) - (H2S)2 0.000e+00 0.000e+00 -53.699 -53.530 0.170 26.89 + O2 0.000e+00 0.000e+00 -49.537 -49.367 0.170 32.99 +S(-2) 2.124e-26 + HS- 1.719e-26 8.821e-27 -25.765 -26.054 -0.290 22.77 + H2S 4.051e-27 5.987e-27 -26.392 -26.223 0.170 43.89 + S-2 8.808e-31 1.059e-31 -30.055 -30.975 -0.920 (0) + (H2S)2 0.000e+00 0.000e+00 -53.526 -53.356 0.170 26.89 S(6) 1.211e+00 NaSO4- 9.686e-01 5.901e-01 -0.014 -0.229 -0.215 19.66 SO4-2 2.426e-01 2.494e-02 -0.615 -1.603 -0.988 49.77 @@ -19152,12 +18940,12 @@ S(6) 1.211e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.51 -14.64 -3.13 H2 + H2(g) -11.48 -14.62 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -24.93 -32.86 -7.94 H2S + H2S(g) -24.84 -32.78 -7.94 H2S Mirabilite -1.87 -1.73 0.14 Na2SO4:10H2O - O2(g) -46.23 -49.32 -3.10 O2 - Sulfur -18.89 -15.01 3.88 S + O2(g) -46.27 -49.37 -3.10 O2 + Sulfur -18.82 -14.94 3.88 S Thenardite -0.97 -1.53 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19195,7 +18983,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.707 Charge balance - pe = 7.544 Adjusted to redox equilibrium + pe = 7.522 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 246040 Density (g/cm³) = 1.12784 Volume (L) = 1.06567 @@ -19203,9 +18991,9 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.938e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.765e-16 + Total alkalinity (eq/kg) = 1.096e-15 Temperature (°C) = 75.00 - Electrical balance (eq) = 7.389e-10 + Electrical balance (eq) = 5.866e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -19219,19 +19007,18 @@ Reaction 1. OH- 1.965e-06 9.910e-07 -5.707 -6.004 -0.297 -0.24 H+ 2.774e-07 1.962e-07 -6.557 -6.707 -0.150 0.00 H2O 5.551e+01 9.473e-01 1.744 -0.024 0.000 18.48 -H(0) 1.860e-32 - H2 9.298e-33 1.453e-32 -32.032 -31.838 0.194 28.58 +H(0) 2.062e-32 + H2 1.031e-32 1.611e-32 -31.987 -31.793 0.194 28.58 Na 2.843e+00 Na+ 1.680e+00 1.302e+00 0.225 0.115 -0.111 1.17 NaSO4- 1.163e+00 7.018e-01 0.066 -0.154 -0.219 21.04 - NaOH 8.259e-17 1.290e-16 -16.083 -15.889 0.194 (0) -O(0) 1.495e-15 - O2 7.473e-16 1.168e-15 -15.127 -14.933 0.194 32.99 +O(0) 1.216e-15 + O2 6.079e-16 9.498e-16 -15.216 -15.022 0.194 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.612 -94.909 -0.297 22.91 - H2S 0.000e+00 0.000e+00 -95.255 -95.061 0.194 43.89 - S-2 0.000e+00 0.000e+00 -98.907 -99.846 -0.939 (0) - (H2S)2 0.000e+00 0.000e+00 -191.226 -191.032 0.194 26.89 + HS- 0.000e+00 0.000e+00 -94.432 -94.729 -0.297 22.91 + H2S 0.000e+00 0.000e+00 -95.075 -94.882 0.194 43.89 + S-2 0.000e+00 0.000e+00 -98.727 -99.666 -0.939 (0) + (H2S)2 0.000e+00 0.000e+00 -190.868 -190.674 0.194 26.89 S(6) 1.421e+00 NaSO4- 1.163e+00 7.018e-01 0.066 -0.154 -0.219 21.04 SO4-2 2.584e-01 2.487e-02 -0.588 -1.604 -1.017 51.97 @@ -19241,12 +19028,12 @@ S(6) 1.421e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.71 -31.84 -3.13 H2 + H2(g) -28.66 -31.79 -3.13 H2 H2O(g) -0.45 -0.02 0.42 H2O - H2S(g) -93.68 -101.62 -7.94 H2S + H2S(g) -93.50 -101.44 -7.94 H2S Mirabilite -1.75 -1.61 0.14 Na2SO4:10H2O - O2(g) -11.83 -14.93 -3.10 O2 - Sulfur -70.44 -66.56 3.88 S + O2(g) -11.92 -15.02 -3.10 O2 + Sulfur -70.31 -66.42 3.88 S Thenardite -0.81 -1.37 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19284,7 +19071,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.700 Charge balance - pe = 7.783 Adjusted to redox equilibrium + pe = 7.821 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 253093 Density (g/cm³) = 1.13641 Volume (L) = 1.06878 @@ -19292,11 +19079,11 @@ Reaction 1. Activity of water = 0.944 Ionic strength (mol/kgw) = 2.039e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.567e-16 + Total alkalinity (eq/kg) = 7.506e-13 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.137e-11 + Electrical balance (eq) = 1.235e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 9 Total H = 1.110124e+02 Total O = 6.154862e+01 @@ -19308,19 +19095,18 @@ Reaction 1. OH- 1.940e-06 9.718e-07 -5.712 -6.012 -0.300 -0.07 H+ 2.824e-07 1.994e-07 -6.549 -6.700 -0.151 0.00 H2O 5.551e+01 9.441e-01 1.744 -0.025 0.000 18.48 -H(0) 6.255e-33 - H2 3.127e-33 5.002e-33 -32.505 -32.301 0.204 28.58 +H(0) 5.244e-33 + H2 2.622e-33 4.193e-33 -32.581 -32.377 0.204 28.58 Na 3.021e+00 Na+ 1.775e+00 1.395e+00 0.249 0.145 -0.105 1.19 NaSO4- 1.246e+00 7.493e-01 0.096 -0.125 -0.221 21.57 - NaOH 8.476e-17 1.355e-16 -16.072 -15.868 0.204 (0) -O(0) 1.224e-14 - O2 6.120e-15 9.787e-15 -14.213 -14.009 0.204 32.99 +O(0) 1.741e-14 + O2 8.706e-15 1.392e-14 -14.060 -13.856 0.204 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -96.450 -96.750 -0.300 22.96 - H2S 0.000e+00 0.000e+00 -97.099 -96.895 0.204 43.89 - S-2 0.000e+00 0.000e+00 -100.748 -101.694 -0.946 (0) - (H2S)2 0.000e+00 0.000e+00 -194.904 -194.700 0.204 26.89 + HS- 0.000e+00 0.000e+00 -96.756 -97.056 -0.300 22.96 + H2S 0.000e+00 0.000e+00 -97.405 -97.201 0.204 43.89 + S-2 0.000e+00 0.000e+00 -101.054 -102.000 -0.946 (0) + (H2S)2 0.000e+00 0.000e+00 -195.517 -195.313 0.204 26.89 S(6) 1.511e+00 NaSO4- 1.246e+00 7.493e-01 0.096 -0.125 -0.221 21.57 SO4-2 2.643e-01 2.480e-02 -0.578 -1.606 -1.028 52.85 @@ -19330,12 +19116,12 @@ S(6) 1.511e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -29.17 -32.30 -3.13 H2 + H2(g) -29.24 -32.38 -3.13 H2 H2O(g) -0.45 -0.02 0.42 H2O - H2S(g) -95.51 -103.45 -7.94 H2S + H2S(g) -95.82 -103.76 -7.94 H2S Mirabilite -1.71 -1.57 0.14 Na2SO4:10H2O - O2(g) -10.91 -14.01 -3.10 O2 - Sulfur -71.81 -67.93 3.88 S + O2(g) -10.76 -13.86 -3.10 O2 + Sulfur -72.04 -68.16 3.88 S Thenardite -0.76 -1.32 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19373,7 +19159,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.690 Charge balance - pe = -1.256 Adjusted to redox equilibrium + pe = -1.260 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 262095 Density (g/cm³) = 1.14838 Volume (L) = 1.07326 @@ -19381,9 +19167,9 @@ Reaction 1. Activity of water = 0.940 Ionic strength (mol/kgw) = 2.181e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.123e-17 + Total alkalinity (eq/kg) = 1.334e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 3.866e-11 + Electrical balance (eq) = 3.675e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -19397,19 +19183,18 @@ Reaction 1. OH- 1.902e-06 9.450e-07 -5.721 -6.025 -0.304 0.16 H+ 2.897e-07 2.041e-07 -6.538 -6.690 -0.152 0.00 H2O 5.551e+01 9.397e-01 1.744 -0.027 0.000 18.48 -H(0) 7.565e-15 - H2 3.782e-15 6.249e-15 -14.422 -14.204 0.218 28.58 +H(0) 7.731e-15 + H2 3.865e-15 6.387e-15 -14.413 -14.195 0.218 28.58 Na 3.274e+00 Na+ 1.909e+00 1.530e+00 0.281 0.185 -0.096 1.22 NaSO4- 1.365e+00 8.169e-01 0.135 -0.088 -0.223 22.29 - NaOH 8.749e-17 1.446e-16 -16.058 -15.840 0.218 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.425 -50.207 0.218 32.99 -S(-2) 1.105e-24 - HS- 9.051e-25 4.496e-25 -24.043 -24.347 -0.304 23.04 - H2S 1.994e-25 3.295e-25 -24.700 -24.482 0.218 43.89 - S-2 4.509e-29 4.997e-30 -28.346 -29.301 -0.955 (0) - (H2S)2 0.000e+00 0.000e+00 -50.093 -49.875 0.218 26.89 + O2 0.000e+00 0.000e+00 -50.444 -50.226 0.218 32.99 +S(-2) 1.205e-24 + HS- 9.872e-25 4.903e-25 -24.006 -24.310 -0.304 23.04 + H2S 2.175e-25 3.594e-25 -24.662 -24.444 0.218 43.89 + S-2 4.918e-29 5.450e-30 -28.308 -29.264 -0.955 (0) + (H2S)2 0.000e+00 0.000e+00 -50.017 -49.799 0.218 26.89 S(6) 1.637e+00 NaSO4- 1.365e+00 8.169e-01 0.135 -0.088 -0.223 22.29 SO4-2 2.719e-01 2.465e-02 -0.566 -1.608 -1.043 54.04 @@ -19419,12 +19204,12 @@ S(6) 1.637e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.07 -14.20 -3.13 H2 + H2(g) -11.06 -14.19 -3.13 H2 H2O(g) -0.45 -0.03 0.42 H2O - H2S(g) -23.10 -31.04 -7.94 H2S + H2S(g) -23.06 -31.00 -7.94 H2S Mirabilite -1.65 -1.51 0.14 Na2SO4:10H2O - O2(g) -47.11 -50.21 -3.10 O2 - Sulfur -17.50 -13.61 3.88 S + O2(g) -47.13 -50.23 -3.10 O2 + Sulfur -17.47 -13.58 3.88 S Thenardite -0.68 -1.24 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19462,7 +19247,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.673 Charge balance - pe = -0.832 Adjusted to redox equilibrium + pe = -0.823 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 274518 Density (g/cm³) = 1.16752 Volume (L) = 1.08076 @@ -19470,11 +19255,11 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 2.408e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.082e-17 + Total alkalinity (eq/kg) = -3.434e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.094e-11 + Electrical balance (eq) = 1.354e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 18 Total H = 1.110124e+02 Total O = 6.287898e+01 @@ -19486,19 +19271,18 @@ Reaction 1. OH- 1.839e-06 9.022e-07 -5.735 -6.045 -0.309 0.52 H+ 3.020e-07 2.122e-07 -6.520 -6.673 -0.153 0.00 H2O 5.551e+01 9.325e-01 1.744 -0.030 0.000 18.48 -H(0) 1.102e-15 - H2 5.510e-16 9.594e-16 -15.259 -15.018 0.241 28.58 +H(0) 1.056e-15 + H2 5.279e-16 9.191e-16 -15.277 -15.037 0.241 28.58 Na 3.686e+00 Na+ 2.126e+00 1.760e+00 0.328 0.246 -0.082 1.26 NaSO4- 1.561e+00 9.277e-01 0.193 -0.033 -0.226 23.38 - NaOH 9.121e-17 1.588e-16 -16.040 -15.799 0.241 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.827 -48.586 0.241 32.99 -S(-2) 6.542e-28 - HS- 5.386e-28 2.642e-28 -27.269 -27.578 -0.309 23.15 - H2S 1.156e-28 2.012e-28 -27.937 -27.696 0.241 43.89 - S-2 2.629e-32 2.825e-33 -31.580 -32.549 -0.969 (0) - (H2S)2 0.000e+00 0.000e+00 -56.544 -56.303 0.241 26.89 + O2 0.000e+00 0.000e+00 -48.789 -48.549 0.241 32.99 +S(-2) 5.510e-28 + HS- 4.536e-28 2.225e-28 -27.343 -27.653 -0.309 23.15 + H2S 9.735e-29 1.695e-28 -28.012 -27.771 0.241 43.89 + S-2 2.215e-32 2.379e-33 -31.655 -32.624 -0.969 (0) + (H2S)2 0.000e+00 0.000e+00 -56.693 -56.452 0.241 26.89 S(6) 1.843e+00 NaSO4- 1.561e+00 9.277e-01 0.193 -0.033 -0.226 23.38 SO4-2 2.826e-01 2.432e-02 -0.549 -1.614 -1.065 55.87 @@ -19508,12 +19292,12 @@ S(6) 1.843e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.89 -15.02 -3.13 H2 + H2(g) -11.90 -15.04 -3.13 H2 H2O(g) -0.45 -0.03 0.42 H2O - H2S(g) -26.31 -34.25 -7.94 H2S + H2S(g) -26.39 -34.33 -7.94 H2S Mirabilite -1.57 -1.43 0.14 Na2SO4:10H2O - O2(g) -45.49 -48.59 -3.10 O2 - Sulfur -19.90 -16.01 3.88 S + O2(g) -45.45 -48.55 -3.10 O2 + Sulfur -19.95 -16.07 3.88 S Thenardite -0.56 -1.12 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19551,7 +19335,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.655 Charge balance - pe = 7.708 Adjusted to redox equilibrium + pe = 7.688 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 285138 Density (g/cm³) = 1.18779 Volume (L) = 1.08918 @@ -19559,9 +19343,9 @@ Reaction 1. Activity of water = 0.925 Ionic strength (mol/kgw) = 2.652e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.442e-15 + Total alkalinity (eq/kg) = 8.401e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.205e-09 + Electrical balance (eq) = 1.719e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -19575,19 +19359,18 @@ Reaction 1. OH- 1.769e-06 8.575e-07 -5.752 -6.067 -0.315 0.90 H+ 3.160e-07 2.213e-07 -6.500 -6.655 -0.155 0.00 H2O 5.551e+01 9.247e-01 1.744 -0.034 0.000 18.48 -H(0) 9.433e-33 - H2 4.716e-33 8.687e-33 -32.326 -32.061 0.265 28.58 +H(0) 1.036e-32 + H2 5.180e-33 9.541e-33 -32.286 -32.020 0.265 28.58 Na 4.136e+00 Na+ 2.360e+00 2.027e+00 0.373 0.307 -0.066 1.30 NaSO4- 1.776e+00 1.049e+00 0.249 0.021 -0.229 24.46 - NaOH 9.435e-17 1.738e-16 -16.025 -15.760 0.265 (0) -O(0) 3.380e-15 - O2 1.690e-15 3.113e-15 -14.772 -14.507 0.265 32.99 +O(0) 2.801e-15 + O2 1.401e-15 2.580e-15 -14.854 -14.588 0.265 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.411 -95.726 -0.315 23.27 - H2S 0.000e+00 0.000e+00 -96.091 -95.825 0.265 43.89 - S-2 0.000e+00 0.000e+00 -99.733 -100.715 -0.982 (0) - (H2S)2 0.000e+00 0.000e+00 -192.827 -192.561 0.265 26.89 + HS- 0.000e+00 0.000e+00 -95.248 -95.563 -0.315 23.27 + H2S 0.000e+00 0.000e+00 -95.928 -95.662 0.265 43.89 + S-2 0.000e+00 0.000e+00 -99.570 -100.552 -0.982 (0) + (H2S)2 0.000e+00 0.000e+00 -192.500 -192.235 0.265 26.89 S(6) 2.068e+00 NaSO4- 1.776e+00 1.049e+00 0.249 0.021 -0.229 24.46 SO4-2 2.923e-01 2.388e-02 -0.534 -1.622 -1.088 57.73 @@ -19597,12 +19380,12 @@ S(6) 2.068e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.93 -32.06 -3.13 H2 + H2(g) -28.89 -32.02 -3.13 H2 H2O(g) -0.46 -0.03 0.42 H2O - H2S(g) -94.44 -102.38 -7.94 H2S + H2S(g) -94.28 -102.22 -7.94 H2S Mirabilite -1.49 -1.35 0.14 Na2SO4:10H2O - O2(g) -11.41 -14.51 -3.10 O2 - Sulfur -70.98 -67.10 3.88 S + O2(g) -11.49 -14.59 -3.10 O2 + Sulfur -70.86 -66.98 3.88 S Thenardite -0.45 -1.01 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19744,7 +19527,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.625 Charge balance - pe = -1.103 Adjusted to redox equilibrium + pe = -1.104 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 48306 Density (g/cm³) = 0.97539 Volume (L) = 1.04140 @@ -19752,9 +19535,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.230e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.746e-17 + Total alkalinity (eq/kg) = 1.529e-17 Temperature (°C) = 95.00 - Electrical balance (eq) = 2.674e-13 + Electrical balance (eq) = 2.880e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -19768,19 +19551,18 @@ Reaction 1. OH- 3.034e-06 2.010e-06 -5.518 -5.697 -0.179 -4.45 H+ 3.087e-07 2.373e-07 -6.510 -6.625 -0.114 0.00 H2O 5.551e+01 9.953e-01 1.744 -0.002 0.000 18.73 -H(0) 6.914e-15 - H2 3.457e-15 3.639e-15 -14.461 -14.439 0.022 28.57 +H(0) 6.944e-15 + H2 3.472e-15 3.655e-15 -14.459 -14.437 0.022 28.57 Na 2.221e-01 Na+ 1.670e-01 1.181e-01 -0.777 -0.928 -0.151 0.82 NaSO4- 5.506e-02 3.913e-02 -1.259 -1.407 -0.148 3.05 - NaOH 2.255e-17 2.373e-17 -16.647 -16.625 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.233 -45.211 0.022 33.72 -S(-2) 8.901e-28 - HS- 5.952e-28 3.943e-28 -27.225 -27.404 -0.179 20.92 - H2S 2.948e-28 3.104e-28 -27.530 -27.508 0.022 45.74 - S-2 4.061e-32 9.746e-33 -31.391 -32.011 -0.620 (0) - (H2S)2 0.000e+00 0.000e+00 -55.883 -55.860 0.022 24.83 + O2 0.000e+00 0.000e+00 -45.237 -45.215 0.022 33.72 +S(-2) 9.057e-28 + HS- 6.056e-28 4.012e-28 -27.218 -27.397 -0.179 20.92 + H2S 3.000e-28 3.158e-28 -27.523 -27.501 0.022 45.74 + S-2 4.132e-32 9.916e-33 -31.384 -32.004 -0.620 (0) + (H2S)2 0.000e+00 0.000e+00 -55.868 -55.845 0.022 24.83 S(6) 1.110e-01 SO4-2 5.598e-02 1.316e-02 -1.252 -1.881 -0.629 26.28 NaSO4- 5.506e-02 3.913e-02 -1.259 -1.407 -0.148 3.05 @@ -19792,7 +19574,7 @@ S(6) 1.110e-01 H2(g) -11.33 -14.44 -3.11 H2 H2O(g) -0.09 -0.00 0.08 H2O - H2S(g) -26.04 -34.03 -7.99 H2S + H2S(g) -26.03 -34.02 -7.99 H2S Mirabilite -4.08 -3.76 0.32 Na2SO4:10H2O O2(g) -42.10 -45.21 -3.11 O2 Sulfur -20.02 -16.46 3.56 S @@ -19841,9 +19623,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 4.048e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.285e-15 + Total alkalinity (eq/kg) = 1.448e-15 Temperature (°C) = 95.00 - Electrical balance (eq) = -3.520e-10 + Electrical balance (eq) = -4.042e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -19857,19 +19639,18 @@ Reaction 1. OH- 3.533e-06 2.158e-06 -5.452 -5.666 -0.214 -3.94 H+ 2.953e-07 2.201e-07 -6.530 -6.657 -0.128 0.00 H2O 5.551e+01 9.909e-01 1.744 -0.004 0.000 18.73 -H(0) 5.672e-15 - H2 2.836e-15 3.113e-15 -14.547 -14.507 0.040 28.57 +H(0) 5.682e-15 + H2 2.841e-15 3.119e-15 -14.547 -14.506 0.040 28.57 Na 4.464e-01 Na+ 3.140e-01 2.139e-01 -0.503 -0.670 -0.167 0.96 NaSO4- 1.324e-01 8.913e-02 -0.878 -1.050 -0.172 7.13 - NaOH 4.204e-17 4.615e-17 -16.376 -16.336 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.119 -45.079 0.040 33.72 -S(-2) 5.769e-28 - HS- 4.103e-28 2.505e-28 -27.387 -27.601 -0.214 21.23 - H2S 1.666e-28 1.829e-28 -27.778 -27.738 0.040 45.74 - S-2 3.529e-32 6.678e-33 -31.452 -32.175 -0.723 (0) - (H2S)2 0.000e+00 0.000e+00 -56.360 -56.320 0.040 24.83 + O2 0.000e+00 0.000e+00 -45.121 -45.081 0.040 33.72 +S(-2) 5.812e-28 + HS- 4.133e-28 2.524e-28 -27.384 -27.598 -0.214 21.23 + H2S 1.679e-28 1.843e-28 -27.775 -27.735 0.040 45.74 + S-2 3.556e-32 6.728e-33 -31.449 -32.172 -0.723 (0) + (H2S)2 0.000e+00 0.000e+00 -56.354 -56.313 0.040 24.83 S(6) 2.232e-01 NaSO4- 1.324e-01 8.913e-02 -0.878 -1.050 -0.172 7.13 SO4-2 9.079e-02 1.655e-02 -1.042 -1.781 -0.739 30.48 @@ -19883,8 +19664,8 @@ S(6) 2.232e-01 H2O(g) -0.09 -0.00 0.08 H2O H2S(g) -26.27 -34.26 -7.99 H2S Mirabilite -3.48 -3.16 0.32 Na2SO4:10H2O - O2(g) -41.96 -45.08 -3.11 O2 - Sulfur -20.18 -16.63 3.56 S + O2(g) -41.97 -45.08 -3.11 O2 + Sulfur -20.18 -16.62 3.56 S Thenardite -2.43 -3.12 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -19922,7 +19703,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.668 Charge balance - pe = 6.347 Adjusted to redox equilibrium + pe = 6.359 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 116751 Density (g/cm³) = 1.00124 Volume (L) = 1.04613 @@ -19930,9 +19711,9 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.690e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.135e-15 + Total alkalinity (eq/kg) = 4.730e-15 Temperature (°C) = 95.00 - Electrical balance (eq) = 3.936e-09 + Electrical balance (eq) = 7.681e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -19946,19 +19727,18 @@ Reaction 1. OH- 3.779e-06 2.199e-06 -5.423 -5.658 -0.235 -3.54 H+ 2.932e-07 2.150e-07 -6.533 -6.668 -0.135 0.00 H2O 5.551e+01 9.866e-01 1.744 -0.006 0.000 18.73 -H(0) 6.605e-30 - H2 3.303e-30 3.765e-30 -29.481 -29.424 0.057 28.57 +H(0) 6.244e-30 + H2 3.122e-30 3.559e-30 -29.506 -29.449 0.057 28.57 Na 6.678e-01 Na+ 4.515e-01 3.043e-01 -0.345 -0.517 -0.171 1.04 NaSO4- 2.163e-01 1.413e-01 -0.665 -0.850 -0.185 9.73 - NaOH 5.870e-17 6.691e-17 -16.231 -16.174 0.057 (0) -O(0) 9.914e-16 - O2 4.957e-16 5.651e-16 -15.305 -15.248 0.057 33.72 +O(0) 1.109e-15 + O2 5.547e-16 6.323e-16 -15.256 -15.199 0.057 33.72 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.991 -87.226 -0.235 21.45 - H2S 0.000e+00 0.000e+00 -87.430 -87.373 0.057 45.74 - S-2 0.000e+00 0.000e+00 -91.009 -91.791 -0.782 (0) - (H2S)2 0.000e+00 0.000e+00 -175.647 -175.590 0.057 24.83 + HS- 0.000e+00 0.000e+00 -87.089 -87.324 -0.235 21.45 + H2S 0.000e+00 0.000e+00 -87.528 -87.471 0.057 45.74 + S-2 0.000e+00 0.000e+00 -91.106 -91.888 -0.782 (0) + (H2S)2 0.000e+00 0.000e+00 -175.843 -175.786 0.057 24.83 S(6) 3.339e-01 NaSO4- 2.163e-01 1.413e-01 -0.665 -0.850 -0.185 9.73 SO4-2 1.176e-01 1.844e-02 -0.930 -1.734 -0.804 33.45 @@ -19968,12 +19748,12 @@ S(6) 3.339e-01 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.32 -29.42 -3.11 H2 + H2(g) -26.34 -29.45 -3.11 H2 H2O(g) -0.09 -0.01 0.08 H2O - H2S(g) -85.91 -93.89 -7.99 H2S + H2S(g) -86.00 -93.99 -7.99 H2S Mirabilite -3.14 -2.83 0.32 Na2SO4:10H2O - O2(g) -12.13 -15.25 -3.11 O2 - Sulfur -64.90 -61.34 3.56 S + O2(g) -12.08 -15.20 -3.11 O2 + Sulfur -64.98 -61.42 3.56 S Thenardite -2.08 -2.77 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20011,7 +19791,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.669 Charge balance - pe = -0.623 Adjusted to redox equilibrium + pe = 5.935 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 136919 Density (g/cm³) = 1.01007 Volume (L) = 1.04804 @@ -20019,11 +19799,11 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.799e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.447e-17 + Total alkalinity (eq/kg) = -6.915e-17 Temperature (°C) = 95.00 - Electrical balance (eq) = -2.930e-10 + Electrical balance (eq) = -9.533e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 41 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.715618e+01 @@ -20035,19 +19815,18 @@ Reaction 1. OH- 3.882e-06 2.202e-06 -5.411 -5.657 -0.246 -3.28 H+ 2.943e-07 2.141e-07 -6.531 -6.669 -0.138 0.00 H2O 5.551e+01 9.837e-01 1.744 -0.007 0.000 18.73 -H(0) 5.555e-16 - H2 2.778e-16 3.248e-16 -15.556 -15.488 0.068 28.57 +H(0) 4.249e-29 + H2 2.125e-29 2.485e-29 -28.673 -28.605 0.068 28.57 Na 8.250e-01 Na+ 5.462e-01 3.678e-01 -0.263 -0.434 -0.172 1.09 NaSO4- 2.788e-01 1.793e-01 -0.555 -0.746 -0.192 11.16 - NaOH 6.926e-17 8.100e-17 -16.159 -16.092 0.068 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.190 -43.122 0.068 33.72 -S(-2) 8.246e-32 - HS- 6.133e-32 3.479e-32 -31.212 -31.458 -0.246 21.59 - H2S 2.113e-32 2.471e-32 -31.675 -31.607 0.068 45.74 - S-2 6.184e-36 9.536e-37 -35.209 -36.021 -0.812 (0) - (H2S)2 0.000e+00 0.000e+00 -64.126 -64.058 0.068 24.83 +O(0) 2.206e-17 + O2 1.103e-17 1.290e-17 -16.957 -16.890 0.068 33.72 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -83.678 -83.924 -0.246 21.59 + H2S 0.000e+00 0.000e+00 -84.141 -84.073 0.068 45.74 + S-2 0.000e+00 0.000e+00 -87.674 -88.486 -0.812 (0) + (H2S)2 0.000e+00 0.000e+00 -169.057 -168.989 0.068 24.83 S(6) 4.125e-01 NaSO4- 2.788e-01 1.793e-01 -0.555 -0.746 -0.192 11.16 SO4-2 1.337e-01 1.936e-02 -0.874 -1.713 -0.839 35.20 @@ -20057,12 +19836,12 @@ S(6) 4.125e-01 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -12.38 -15.49 -3.11 H2 + H2(g) -25.50 -28.60 -3.11 H2 H2O(g) -0.09 -0.01 0.08 H2O - H2S(g) -30.14 -38.13 -7.99 H2S + H2S(g) -82.61 -90.59 -7.99 H2S Mirabilite -2.97 -2.65 0.32 Na2SO4:10H2O - O2(g) -40.01 -43.12 -3.11 O2 - Sulfur -23.07 -19.51 3.56 S + O2(g) -13.77 -16.89 -3.11 O2 + Sulfur -62.42 -58.86 3.56 S Thenardite -1.89 -2.58 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20100,7 +19879,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.667 Charge balance - pe = -1.161 Adjusted to redox equilibrium + pe = -1.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 171704 Density (g/cm³) = 1.02674 Volume (L) = 1.05196 @@ -20108,9 +19887,9 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 8.838e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.498e-16 + Total alkalinity (eq/kg) = 1.882e-16 Temperature (°C) = 95.00 - Electrical balance (eq) = 3.930e-14 + Electrical balance (eq) = 4.757e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -20124,19 +19903,18 @@ Reaction 1. OH- 3.984e-06 2.177e-06 -5.400 -5.662 -0.262 -2.84 H+ 2.994e-07 2.153e-07 -6.524 -6.667 -0.143 0.00 H2O 5.551e+01 9.781e-01 1.744 -0.010 0.000 18.73 -H(0) 6.397e-15 - H2 3.198e-15 3.920e-15 -14.495 -14.407 0.088 28.57 +H(0) 6.797e-15 + H2 3.398e-15 4.165e-15 -14.469 -14.380 0.088 28.57 Na 1.128e+00 Na+ 7.238e-01 4.907e-01 -0.140 -0.309 -0.169 1.16 NaSO4- 4.039e-01 2.540e-01 -0.394 -0.595 -0.202 13.39 - NaOH 8.717e-17 1.068e-16 -16.060 -15.971 0.088 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.379 -45.291 0.088 33.72 -S(-2) 1.946e-27 - HS- 1.476e-27 8.064e-28 -26.831 -27.093 -0.262 21.81 - H2S 4.698e-28 5.759e-28 -27.328 -27.240 0.088 45.74 - S-2 1.576e-31 2.198e-32 -30.802 -31.658 -0.856 (0) - (H2S)2 0.000e+00 0.000e+00 -55.412 -55.323 0.088 24.83 + O2 0.000e+00 0.000e+00 -45.432 -45.343 0.088 33.72 +S(-2) 2.480e-27 + HS- 1.881e-27 1.028e-27 -26.726 -26.988 -0.262 21.81 + H2S 5.989e-28 7.341e-28 -27.223 -27.134 0.088 45.74 + S-2 2.009e-31 2.801e-32 -30.697 -31.553 -0.856 (0) + (H2S)2 0.000e+00 0.000e+00 -55.201 -55.113 0.088 24.83 S(6) 5.639e-01 NaSO4- 4.039e-01 2.540e-01 -0.394 -0.595 -0.202 13.39 SO4-2 1.599e-01 2.056e-02 -0.796 -1.687 -0.891 38.06 @@ -20146,12 +19924,12 @@ S(6) 5.639e-01 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -11.30 -14.41 -3.11 H2 + H2(g) -11.27 -14.38 -3.11 H2 H2O(g) -0.09 -0.01 0.08 H2O - H2S(g) -25.77 -33.76 -7.99 H2S + H2S(g) -25.67 -33.65 -7.99 H2S Mirabilite -2.72 -2.40 0.32 Na2SO4:10H2O - O2(g) -42.18 -45.29 -3.11 O2 - Sulfur -19.79 -16.23 3.56 S + O2(g) -42.23 -45.34 -3.11 O2 + Sulfur -19.71 -16.15 3.56 S Thenardite -1.62 -2.31 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20189,7 +19967,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.663 Charge balance - pe = 6.378 Adjusted to redox equilibrium + pe = 6.411 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 189468 Density (g/cm³) = 1.03605 Volume (L) = 1.05432 @@ -20197,9 +19975,9 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 9.955e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.325e-16 + Total alkalinity (eq/kg) = -3.647e-17 Temperature (°C) = 95.00 - Electrical balance (eq) = 4.258e-13 + Electrical balance (eq) = 2.666e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -20213,19 +19991,18 @@ Reaction 1. OH- 4.006e-06 2.152e-06 -5.397 -5.667 -0.270 -2.61 H+ 3.034e-07 2.171e-07 -6.518 -6.663 -0.145 0.00 H2O 5.551e+01 9.750e-01 1.744 -0.011 0.000 18.73 -H(0) 5.294e-30 - H2 2.647e-30 3.329e-30 -29.577 -29.478 0.100 28.57 +H(0) 4.553e-30 + H2 2.276e-30 2.863e-30 -29.643 -29.543 0.100 28.57 Na 1.300e+00 Na+ 8.227e-01 5.616e-01 -0.085 -0.251 -0.166 1.19 NaSO4- 4.773e-01 2.971e-01 -0.321 -0.527 -0.206 14.45 - NaOH 9.612e-17 1.209e-16 -16.017 -15.918 0.100 (0) -O(0) 1.122e-15 - O2 5.612e-16 7.058e-16 -15.251 -15.151 0.100 33.72 +O(0) 1.518e-15 + O2 7.589e-16 9.544e-16 -15.120 -15.020 0.100 33.72 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -87.089 -87.359 -0.270 21.92 - H2S 0.000e+00 0.000e+00 -87.601 -87.501 0.100 45.74 - S-2 0.000e+00 0.000e+00 -91.052 -91.927 -0.875 (0) - (H2S)2 0.000e+00 0.000e+00 -175.946 -175.847 0.100 24.83 + HS- 0.000e+00 0.000e+00 -87.351 -87.621 -0.270 21.92 + H2S 0.000e+00 0.000e+00 -87.863 -87.763 0.100 45.74 + S-2 0.000e+00 0.000e+00 -91.314 -92.189 -0.875 (0) + (H2S)2 0.000e+00 0.000e+00 -176.470 -176.371 0.100 24.83 S(6) 6.500e-01 NaSO4- 4.773e-01 2.971e-01 -0.321 -0.527 -0.206 14.45 SO4-2 1.727e-01 2.101e-02 -0.763 -1.677 -0.915 39.48 @@ -20235,12 +20012,12 @@ S(6) 6.500e-01 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.37 -29.48 -3.11 H2 + H2(g) -26.43 -29.54 -3.11 H2 H2O(g) -0.09 -0.01 0.08 H2O - H2S(g) -86.03 -94.02 -7.99 H2S + H2S(g) -86.30 -94.28 -7.99 H2S Mirabilite -2.61 -2.29 0.32 Na2SO4:10H2O - O2(g) -12.04 -15.15 -3.11 O2 - Sulfur -64.98 -61.42 3.56 S + O2(g) -11.91 -15.02 -3.11 O2 + Sulfur -65.17 -61.62 3.56 S Thenardite -1.49 -2.18 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20278,7 +20055,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.663 Charge balance - pe = -0.881 Adjusted to redox equilibrium + pe = -0.933 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 192195 Density (g/cm³) = 1.03753 Volume (L) = 1.05471 @@ -20286,10 +20063,10 @@ Reaction 1. Activity of water = 0.974 Ionic strength (mol/kgw) = 1.013e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.957e-16 + Total alkalinity (eq/kg) = 1.681e-14 Temperature (°C) = 95.00 - Electrical balance (eq) = 6.648e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.794e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.816146e+01 @@ -20302,19 +20079,18 @@ Reaction 1. OH- 4.007e-06 2.148e-06 -5.397 -5.668 -0.271 -2.58 H+ 3.041e-07 2.174e-07 -6.517 -6.663 -0.146 0.00 H2O 5.551e+01 9.745e-01 1.744 -0.011 0.000 18.73 -H(0) 1.741e-15 - H2 8.707e-16 1.099e-15 -15.060 -14.959 0.101 28.57 +H(0) 2.213e-15 + H2 1.107e-15 1.397e-15 -14.956 -14.855 0.101 28.57 Na 1.328e+00 Na+ 8.385e-01 5.731e-01 -0.077 -0.242 -0.165 1.20 NaSO4- 4.891e-01 3.041e-01 -0.311 -0.517 -0.206 14.61 - NaOH 9.748e-17 1.231e-16 -16.011 -15.910 0.101 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -44.291 -44.190 0.101 33.72 -S(-2) 1.278e-29 - HS- 9.782e-30 5.243e-30 -29.010 -29.280 -0.271 21.93 - H2S 2.994e-30 3.781e-30 -29.524 -29.422 0.101 45.74 - S-2 1.068e-33 1.415e-34 -32.971 -33.849 -0.878 (0) - (H2S)2 0.000e+00 0.000e+00 -59.790 -59.689 0.101 24.83 + O2 0.000e+00 0.000e+00 -44.499 -44.398 0.101 33.72 +S(-2) 3.334e-29 + HS- 2.552e-29 1.368e-29 -28.593 -28.864 -0.271 21.93 + H2S 7.812e-30 9.865e-30 -29.107 -29.006 0.101 45.74 + S-2 2.787e-33 3.691e-34 -32.555 -33.433 -0.878 (0) + (H2S)2 0.000e+00 0.000e+00 -58.957 -58.856 0.101 24.83 S(6) 6.638e-01 NaSO4- 4.891e-01 3.041e-01 -0.311 -0.517 -0.206 14.61 SO4-2 1.747e-01 2.108e-02 -0.758 -1.676 -0.918 39.70 @@ -20324,12 +20100,12 @@ S(6) 6.638e-01 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -11.85 -14.96 -3.11 H2 + H2(g) -11.75 -14.85 -3.11 H2 H2O(g) -0.09 -0.01 0.08 H2O - H2S(g) -27.96 -35.94 -7.99 H2S + H2S(g) -27.54 -35.53 -7.99 H2S Mirabilite -2.59 -2.27 0.32 Na2SO4:10H2O - O2(g) -41.07 -44.19 -3.11 O2 - Sulfur -21.42 -17.86 3.56 S + O2(g) -41.28 -44.40 -3.11 O2 + Sulfur -21.10 -17.55 3.56 S Thenardite -1.47 -2.16 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20367,7 +20143,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.656 Charge balance - pe = 6.519 Adjusted to redox equilibrium + pe = 6.530 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 214269 Density (g/cm³) = 1.05008 Volume (L) = 1.05810 @@ -20375,9 +20151,9 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 1.162e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.571e-18 + Total alkalinity (eq/kg) = 1.527e-16 Temperature (°C) = 95.00 - Electrical balance (eq) = 2.194e-13 + Electrical balance (eq) = 2.618e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -20391,19 +20167,18 @@ Reaction 1. OH- 4.006e-06 2.106e-06 -5.397 -5.677 -0.279 -2.28 H+ 3.105e-07 2.208e-07 -6.508 -6.656 -0.148 0.00 H2O 5.551e+01 9.702e-01 1.744 -0.013 0.000 18.73 -H(0) 2.745e-30 - H2 1.373e-30 1.794e-30 -29.862 -29.746 0.116 28.57 +H(0) 2.611e-30 + H2 1.305e-30 1.706e-30 -29.884 -29.768 0.116 28.57 Na 1.564e+00 Na+ 9.721e-01 6.724e-01 -0.012 -0.172 -0.160 1.24 NaSO4- 5.920e-01 3.640e-01 -0.228 -0.439 -0.211 15.86 - NaOH 1.083e-16 1.416e-16 -15.965 -15.849 0.116 (0) -O(0) 3.684e-15 - O2 1.842e-15 2.407e-15 -14.735 -14.619 0.116 33.72 +O(0) 4.073e-15 + O2 2.036e-15 2.661e-15 -14.691 -14.575 0.116 33.72 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -88.128 -88.407 -0.279 22.07 - H2S 0.000e+00 0.000e+00 -88.659 -88.542 0.116 45.74 - S-2 0.000e+00 0.000e+00 -92.083 -92.983 -0.900 (0) - (H2S)2 0.000e+00 0.000e+00 -178.045 -177.929 0.116 24.83 + HS- 0.000e+00 0.000e+00 -88.215 -88.494 -0.279 22.07 + H2S 0.000e+00 0.000e+00 -88.746 -88.630 0.116 45.74 + S-2 0.000e+00 0.000e+00 -92.170 -93.070 -0.900 (0) + (H2S)2 0.000e+00 0.000e+00 -178.219 -178.103 0.116 24.83 S(6) 7.821e-01 NaSO4- 5.920e-01 3.640e-01 -0.228 -0.439 -0.211 15.86 SO4-2 1.900e-01 2.150e-02 -0.721 -1.668 -0.946 41.44 @@ -20413,12 +20188,12 @@ S(6) 7.821e-01 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.64 -29.75 -3.11 H2 + H2(g) -26.66 -29.77 -3.11 H2 H2O(g) -0.10 -0.01 0.08 H2O - H2S(g) -87.08 -95.06 -7.99 H2S + H2S(g) -87.16 -95.15 -7.99 H2S Mirabilite -2.46 -2.14 0.32 Na2SO4:10H2O - O2(g) -11.50 -14.62 -3.11 O2 - Sulfur -65.75 -62.19 3.56 S + O2(g) -11.46 -14.57 -3.11 O2 + Sulfur -65.81 -62.26 3.56 S Thenardite -1.32 -2.01 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20456,7 +20231,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -1.212 Adjusted to redox equilibrium + pe = -1.158 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 229643 Density (g/cm³) = 1.05949 Volume (L) = 1.06076 @@ -20464,9 +20239,9 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 1.273e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.718e-16 + Total alkalinity (eq/kg) = -4.535e-17 Temperature (°C) = 95.00 - Electrical balance (eq) = 6.453e-13 + Electrical balance (eq) = 5.205e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -20480,19 +20255,18 @@ Reaction 1. OH- 3.989e-06 2.070e-06 -5.399 -5.684 -0.285 -2.06 H+ 3.159e-07 2.238e-07 -6.500 -6.650 -0.150 0.00 H2O 5.551e+01 9.669e-01 1.744 -0.015 0.000 18.73 -H(0) 7.997e-15 - H2 3.999e-15 5.361e-15 -14.398 -14.271 0.127 28.57 +H(0) 6.235e-15 + H2 3.118e-15 4.179e-15 -14.506 -14.379 0.127 28.57 Na 1.744e+00 Na+ 1.072e+00 7.494e-01 0.030 -0.125 -0.156 1.27 NaSO4- 6.715e-01 4.099e-01 -0.173 -0.387 -0.214 16.72 - NaOH 1.157e-16 1.552e-16 -15.936 -15.809 0.127 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.700 -45.572 0.127 33.72 -S(-2) 8.044e-27 - HS- 6.248e-27 3.243e-27 -26.204 -26.489 -0.285 22.17 - H2S 1.796e-27 2.407e-27 -26.746 -26.618 0.127 45.74 - S-2 6.977e-31 8.501e-32 -30.156 -31.071 -0.914 (0) - (H2S)2 0.000e+00 0.000e+00 -54.208 -54.081 0.127 24.83 + O2 0.000e+00 0.000e+00 -45.483 -45.356 0.127 33.72 +S(-2) 2.972e-27 + HS- 2.308e-27 1.198e-27 -26.637 -26.921 -0.285 22.17 + H2S 6.635e-28 8.895e-28 -27.178 -27.051 0.127 45.74 + S-2 2.578e-31 3.141e-32 -30.589 -31.503 -0.914 (0) + (H2S)2 0.000e+00 0.000e+00 -55.073 -54.946 0.127 24.83 S(6) 8.720e-01 NaSO4- 6.715e-01 4.099e-01 -0.173 -0.387 -0.214 16.72 SO4-2 2.005e-01 2.172e-02 -0.698 -1.663 -0.965 42.67 @@ -20502,12 +20276,12 @@ S(6) 8.720e-01 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -11.16 -14.27 -3.11 H2 + H2(g) -11.27 -14.38 -3.11 H2 H2O(g) -0.10 -0.01 0.08 H2O - H2S(g) -25.15 -33.14 -7.99 H2S + H2S(g) -25.58 -33.57 -7.99 H2S Mirabilite -2.38 -2.06 0.32 Na2SO4:10H2O - O2(g) -42.46 -45.57 -3.11 O2 - Sulfur -19.30 -15.74 3.56 S + O2(g) -42.24 -45.36 -3.11 O2 + Sulfur -19.63 -16.07 3.56 S Thenardite -1.22 -1.91 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20545,7 +20319,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.640 Charge balance - pe = 6.532 Adjusted to redox equilibrium + pe = 6.517 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 250678 Density (g/cm³) = 1.07340 Volume (L) = 1.06491 @@ -20553,9 +20327,9 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.436e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.340e-17 + Total alkalinity (eq/kg) = 2.567e-17 Temperature (°C) = 95.00 - Electrical balance (eq) = 1.661e-12 + Electrical balance (eq) = 1.451e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -20569,19 +20343,18 @@ Reaction 1. OH- 3.946e-06 2.014e-06 -5.404 -5.696 -0.292 -1.75 H+ 3.246e-07 2.289e-07 -6.489 -6.640 -0.152 0.00 H2O 5.551e+01 9.621e-01 1.744 -0.017 0.000 18.73 -H(0) 2.611e-30 - H2 1.306e-30 1.817e-30 -29.884 -29.741 0.144 28.57 +H(0) 2.806e-30 + H2 1.403e-30 1.953e-30 -29.853 -29.709 0.144 28.57 Na 2.014e+00 Na+ 1.222e+00 8.682e-01 0.087 -0.061 -0.148 1.30 NaSO4- 7.928e-01 4.793e-01 -0.101 -0.319 -0.219 17.88 - NaOH 1.256e-16 1.749e-16 -15.901 -15.757 0.144 (0) -O(0) 3.314e-15 - O2 1.657e-15 2.307e-15 -14.781 -14.637 0.144 33.72 +O(0) 2.869e-15 + O2 1.435e-15 1.997e-15 -14.843 -14.700 0.144 33.72 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -88.054 -88.346 -0.292 22.30 - H2S 0.000e+00 0.000e+00 -88.609 -88.465 0.144 45.74 - S-2 0.000e+00 0.000e+00 -92.004 -92.937 -0.933 (0) - (H2S)2 0.000e+00 0.000e+00 -177.918 -177.775 0.144 24.83 + HS- 0.000e+00 0.000e+00 -87.928 -88.220 -0.292 22.30 + H2S 0.000e+00 0.000e+00 -88.484 -88.340 0.144 45.74 + S-2 0.000e+00 0.000e+00 -91.879 -92.812 -0.933 (0) + (H2S)2 0.000e+00 0.000e+00 -177.667 -177.524 0.144 24.83 S(6) 1.007e+00 NaSO4- 7.928e-01 4.793e-01 -0.101 -0.319 -0.219 17.88 SO4-2 2.144e-01 2.193e-02 -0.669 -1.659 -0.990 44.37 @@ -20591,12 +20364,12 @@ S(6) 1.007e+00 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.63 -29.74 -3.11 H2 + H2(g) -26.60 -29.71 -3.11 H2 H2O(g) -0.10 -0.02 0.08 H2O - H2S(g) -87.00 -94.99 -7.99 H2S + H2S(g) -86.87 -94.86 -7.99 H2S Mirabilite -2.27 -1.95 0.32 Na2SO4:10H2O - O2(g) -11.52 -14.64 -3.11 O2 - Sulfur -65.68 -62.12 3.56 S + O2(g) -11.58 -14.70 -3.11 O2 + Sulfur -65.58 -62.03 3.56 S Thenardite -1.09 -1.78 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20634,7 +20407,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.630 Charge balance - pe = 6.473 Adjusted to redox equilibrium + pe = 6.491 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 268452 Density (g/cm³) = 1.08628 Volume (L) = 1.06895 @@ -20642,9 +20415,9 @@ Reaction 1. Activity of water = 0.958 Ionic strength (mol/kgw) = 1.587e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.499e-16 + Total alkalinity (eq/kg) = -3.358e-16 Temperature (°C) = 95.00 - Electrical balance (eq) = 3.570e-12 + Electrical balance (eq) = 8.033e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -20658,19 +20431,18 @@ Reaction 1. OH- 3.890e-06 1.959e-06 -5.410 -5.708 -0.298 -1.47 H+ 3.335e-07 2.343e-07 -6.477 -6.630 -0.153 0.00 H2O 5.551e+01 9.576e-01 1.744 -0.019 0.000 18.73 -H(0) 3.477e-30 - H2 1.738e-30 2.505e-30 -29.760 -29.601 0.159 28.57 +H(0) 3.195e-30 + H2 1.598e-30 2.302e-30 -29.797 -29.638 0.159 28.57 Na 2.270e+00 Na+ 1.361e+00 9.837e-01 0.134 -0.007 -0.141 1.33 NaSO4- 9.087e-01 5.452e-01 -0.042 -0.263 -0.222 18.87 - NaOH 1.337e-16 1.927e-16 -15.874 -15.715 0.159 (0) -O(0) 1.669e-15 - O2 8.343e-16 1.202e-15 -15.079 -14.920 0.159 33.72 +O(0) 1.976e-15 + O2 9.878e-16 1.423e-15 -15.005 -14.847 0.159 33.72 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -87.470 -87.768 -0.298 22.42 - H2S 0.000e+00 0.000e+00 -88.036 -87.878 0.159 45.74 - S-2 0.000e+00 0.000e+00 -91.421 -92.369 -0.948 (0) - (H2S)2 0.000e+00 0.000e+00 -176.758 -176.599 0.159 24.83 + HS- 0.000e+00 0.000e+00 -87.617 -87.915 -0.298 22.42 + H2S 0.000e+00 0.000e+00 -88.183 -88.024 0.159 45.74 + S-2 0.000e+00 0.000e+00 -91.568 -92.516 -0.948 (0) + (H2S)2 0.000e+00 0.000e+00 -177.051 -176.892 0.159 24.83 S(6) 1.135e+00 NaSO4- 9.087e-01 5.452e-01 -0.042 -0.263 -0.222 18.87 SO4-2 2.260e-01 2.201e-02 -0.646 -1.657 -1.012 45.86 @@ -20680,12 +20452,12 @@ S(6) 1.135e+00 Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.49 -29.60 -3.11 H2 + H2(g) -26.53 -29.64 -3.11 H2 H2O(g) -0.10 -0.02 0.08 H2O - H2S(g) -86.41 -94.40 -7.99 H2S + H2S(g) -86.56 -94.54 -7.99 H2S Mirabilite -2.18 -1.86 0.32 Na2SO4:10H2O - O2(g) -11.81 -14.92 -3.11 O2 - Sulfur -65.23 -61.67 3.56 S + O2(g) -11.73 -14.85 -3.11 O2 + Sulfur -65.34 -61.78 3.56 S Thenardite -0.98 -1.67 -0.69 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -20827,7 +20599,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.565 Charge balance - pe = 6.296 Adjusted to redox equilibrium + pe = 6.295 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 29065 Density (g/cm³) = 0.96545 Volume (L) = 1.04429 @@ -20835,9 +20607,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.258e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.685e-17 + Total alkalinity (eq/kg) = 2.465e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 3.206e-15 + Electrical balance (eq) = 6.467e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -20851,19 +20623,18 @@ Reaction 1. OH- 2.984e-06 2.115e-06 -5.525 -5.675 -0.149 -5.11 H+ 3.443e-07 2.724e-07 -6.463 -6.565 -0.102 0.00 H2O 5.551e+01 9.975e-01 1.744 -0.001 0.000 18.80 -H(0) 1.441e-29 - H2 7.204e-30 7.415e-30 -29.142 -29.130 0.013 28.57 +H(0) 1.444e-29 + H2 7.219e-30 7.431e-30 -29.142 -29.129 0.013 28.57 Na 1.156e-01 Na+ 9.180e-02 6.773e-02 -1.037 -1.169 -0.132 0.77 NaSO4- 2.380e-02 1.774e-02 -1.623 -1.751 -0.128 -0.49 - NaOH 1.392e-17 1.433e-17 -16.856 -16.844 0.013 (0) -O(0) 3.202e-15 - O2 1.601e-15 1.648e-15 -14.796 -14.783 0.013 33.90 +O(0) 3.188e-15 + O2 1.594e-15 1.641e-15 -14.797 -14.785 0.013 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.507 -86.657 -0.149 20.47 - H2S 0.000e+00 0.000e+00 -86.713 -86.701 0.013 46.17 - S-2 0.000e+00 0.000e+00 -90.698 -91.227 -0.530 (0) - (H2S)2 0.000e+00 0.000e+00 -174.247 -174.235 0.013 24.22 + HS- 0.000e+00 0.000e+00 -86.504 -86.653 -0.149 20.47 + H2S 0.000e+00 0.000e+00 -86.710 -86.697 0.013 46.17 + S-2 0.000e+00 0.000e+00 -90.694 -91.224 -0.530 (0) + (H2S)2 0.000e+00 0.000e+00 -174.240 -174.227 0.013 24.22 S(6) 5.780e-02 SO4-2 3.399e-02 9.922e-03 -1.469 -2.003 -0.535 22.47 NaSO4- 2.380e-02 1.774e-02 -1.623 -1.751 -0.128 -0.49 @@ -20875,7 +20646,7 @@ S(6) 5.780e-02 H2(g) -26.03 -29.13 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -85.22 -93.22 -8.00 H2S + H2S(g) -85.21 -93.22 -8.00 H2S Mirabilite -4.69 -4.35 0.33 Na2SO4:10H2O O2(g) -11.67 -14.78 -3.11 O2 Sulfur -64.46 -60.98 3.48 S @@ -20916,7 +20687,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.565 Charge balance - pe = 6.296 Adjusted to redox equilibrium + pe = 6.295 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 29065 Density (g/cm³) = 0.96545 Volume (L) = 1.04429 @@ -20924,9 +20695,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.258e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.685e-17 + Total alkalinity (eq/kg) = 2.465e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 3.206e-15 + Electrical balance (eq) = 6.467e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -20940,19 +20711,18 @@ Reaction 1. OH- 2.984e-06 2.115e-06 -5.525 -5.675 -0.149 -5.11 H+ 3.443e-07 2.724e-07 -6.463 -6.565 -0.102 0.00 H2O 5.551e+01 9.975e-01 1.744 -0.001 0.000 18.80 -H(0) 1.441e-29 - H2 7.204e-30 7.415e-30 -29.142 -29.130 0.013 28.57 +H(0) 1.444e-29 + H2 7.219e-30 7.431e-30 -29.142 -29.129 0.013 28.57 Na 1.156e-01 Na+ 9.180e-02 6.773e-02 -1.037 -1.169 -0.132 0.77 NaSO4- 2.380e-02 1.774e-02 -1.623 -1.751 -0.128 -0.49 - NaOH 1.392e-17 1.433e-17 -16.856 -16.844 0.013 (0) -O(0) 3.202e-15 - O2 1.601e-15 1.648e-15 -14.796 -14.783 0.013 33.90 +O(0) 3.188e-15 + O2 1.594e-15 1.641e-15 -14.797 -14.785 0.013 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.507 -86.657 -0.149 20.47 - H2S 0.000e+00 0.000e+00 -86.713 -86.701 0.013 46.17 - S-2 0.000e+00 0.000e+00 -90.698 -91.227 -0.530 (0) - (H2S)2 0.000e+00 0.000e+00 -174.247 -174.235 0.013 24.22 + HS- 0.000e+00 0.000e+00 -86.504 -86.653 -0.149 20.47 + H2S 0.000e+00 0.000e+00 -86.710 -86.697 0.013 46.17 + S-2 0.000e+00 0.000e+00 -90.694 -91.224 -0.530 (0) + (H2S)2 0.000e+00 0.000e+00 -174.240 -174.227 0.013 24.22 S(6) 5.780e-02 SO4-2 3.399e-02 9.922e-03 -1.469 -2.003 -0.535 22.47 NaSO4- 2.380e-02 1.774e-02 -1.623 -1.751 -0.128 -0.49 @@ -20964,7 +20734,7 @@ S(6) 5.780e-02 H2(g) -26.03 -29.13 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -85.22 -93.22 -8.00 H2S + H2S(g) -85.21 -93.22 -8.00 H2S Mirabilite -4.69 -4.35 0.33 Na2SO4:10H2O O2(g) -11.67 -14.78 -3.11 O2 Sulfur -64.46 -60.98 3.48 S @@ -21005,7 +20775,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.602 Charge balance - pe = -0.904 Adjusted to redox equilibrium + pe = -0.902 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 46142 Density (g/cm³) = 0.97055 Volume (L) = 1.04498 @@ -21013,9 +20783,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.023e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.197e-17 + Total alkalinity (eq/kg) = -6.849e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 4.693e-11 + Electrical balance (eq) = 5.255e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -21029,19 +20799,18 @@ Reaction 1. OH- 3.444e-06 2.299e-06 -5.463 -5.638 -0.175 -4.83 H+ 3.246e-07 2.502e-07 -6.489 -6.602 -0.113 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.80 -H(0) 2.991e-15 - H2 1.495e-15 1.567e-15 -14.825 -14.805 0.020 28.57 +H(0) 2.968e-15 + H2 1.484e-15 1.555e-15 -14.829 -14.808 0.020 28.57 Na 2.000e-01 Na+ 1.512e-01 1.072e-01 -0.821 -0.970 -0.149 0.86 NaSO4- 4.884e-02 3.488e-02 -1.311 -1.457 -0.146 2.33 - NaOH 2.353e-17 2.465e-17 -16.628 -16.608 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.454 -43.434 0.020 33.90 -S(-2) 1.155e-29 - HS- 7.557e-30 5.046e-30 -29.122 -29.297 -0.175 20.67 - H2S 3.996e-30 4.187e-30 -29.398 -29.378 0.020 46.17 - S-2 6.017e-34 1.477e-34 -33.221 -33.831 -0.610 (0) - (H2S)2 0.000e+00 0.000e+00 -59.610 -59.589 0.020 24.22 + O2 0.000e+00 0.000e+00 -43.448 -43.428 0.020 33.90 +S(-2) 1.120e-29 + HS- 7.326e-30 4.892e-30 -29.135 -29.311 -0.175 20.67 + H2S 3.874e-30 4.059e-30 -29.412 -29.392 0.020 46.17 + S-2 5.833e-34 1.432e-34 -33.234 -33.844 -0.610 (0) + (H2S)2 0.000e+00 0.000e+00 -59.637 -59.616 0.020 24.22 S(6) 1.000e-01 SO4-2 5.116e-02 1.232e-02 -1.291 -1.909 -0.618 24.94 NaSO4- 4.884e-02 3.488e-02 -1.311 -1.457 -0.146 2.33 @@ -21051,12 +20820,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.70 -14.81 -3.10 H2 + H2(g) -11.71 -14.81 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -27.90 -35.90 -8.00 H2S + H2S(g) -27.91 -35.91 -8.00 H2S Mirabilite -4.20 -3.87 0.33 Na2SO4:10H2O - O2(g) -40.32 -43.43 -3.11 O2 - Sulfur -21.46 -17.98 3.48 S + O2(g) -40.31 -43.43 -3.11 O2 + Sulfur -21.47 -17.99 3.48 S Thenardite -3.12 -3.85 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21094,7 +20863,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.607 Charge balance - pe = -1.022 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 49384 Density (g/cm³) = 0.97156 Volume (L) = 1.04513 @@ -21102,9 +20871,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.170e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.688e-17 + Total alkalinity (eq/kg) = 5.243e-18 Temperature (°C) = 100.00 - Electrical balance (eq) = 8.822e-13 + Electrical balance (eq) = 7.720e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -21118,19 +20887,18 @@ Reaction 1. OH- 3.513e-06 2.324e-06 -5.454 -5.634 -0.179 -4.78 H+ 3.222e-07 2.474e-07 -6.492 -6.607 -0.115 0.00 H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 18.80 -H(0) 5.032e-15 - H2 2.516e-15 2.645e-15 -14.599 -14.578 0.022 28.57 +H(0) 5.131e-15 + H2 2.565e-15 2.697e-15 -14.591 -14.569 0.022 28.57 Na 2.170e-01 Na+ 1.628e-01 1.148e-01 -0.788 -0.940 -0.152 0.88 NaSO4- 5.423e-02 3.848e-02 -1.266 -1.415 -0.149 2.77 - NaOH 2.539e-17 2.669e-17 -16.595 -16.574 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.911 -43.889 0.022 33.90 -S(-2) 9.583e-29 - HS- 6.319e-29 4.181e-29 -28.199 -28.379 -0.179 20.70 - H2S 3.263e-29 3.430e-29 -28.486 -28.465 0.022 46.17 - S-2 5.184e-33 1.237e-33 -32.285 -32.908 -0.622 (0) - (H2S)2 0.000e+00 0.000e+00 -57.784 -57.762 0.022 24.22 + O2 0.000e+00 0.000e+00 -43.928 -43.906 0.022 33.90 +S(-2) 1.036e-28 + HS- 6.830e-29 4.518e-29 -28.166 -28.345 -0.179 20.70 + H2S 3.526e-29 3.707e-29 -28.453 -28.431 0.022 46.17 + S-2 5.603e-33 1.337e-33 -32.252 -32.874 -0.622 (0) + (H2S)2 0.000e+00 0.000e+00 -57.717 -57.695 0.022 24.22 S(6) 1.085e-01 SO4-2 5.427e-02 1.270e-02 -1.265 -1.896 -0.631 25.36 NaSO4- 5.423e-02 3.848e-02 -1.266 -1.415 -0.149 2.77 @@ -21140,12 +20908,12 @@ S(6) 1.085e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.48 -14.58 -3.10 H2 + H2(g) -11.47 -14.57 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -26.98 -34.99 -8.00 H2S + H2S(g) -26.95 -34.95 -8.00 H2S Mirabilite -4.13 -3.80 0.33 Na2SO4:10H2O - O2(g) -40.77 -43.89 -3.11 O2 - Sulfur -20.78 -17.30 3.48 S + O2(g) -40.79 -43.91 -3.11 O2 + Sulfur -20.75 -17.27 3.48 S Thenardite -3.05 -3.78 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21183,7 +20951,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.607 Charge balance - pe = -1.022 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 49384 Density (g/cm³) = 0.97156 Volume (L) = 1.04513 @@ -21191,9 +20959,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.170e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.688e-17 + Total alkalinity (eq/kg) = 5.243e-18 Temperature (°C) = 100.00 - Electrical balance (eq) = 8.822e-13 + Electrical balance (eq) = 7.720e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -21207,19 +20975,18 @@ Reaction 1. OH- 3.513e-06 2.324e-06 -5.454 -5.634 -0.179 -4.78 H+ 3.222e-07 2.474e-07 -6.492 -6.607 -0.115 0.00 H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 18.80 -H(0) 5.032e-15 - H2 2.516e-15 2.645e-15 -14.599 -14.578 0.022 28.57 +H(0) 5.131e-15 + H2 2.565e-15 2.697e-15 -14.591 -14.569 0.022 28.57 Na 2.170e-01 Na+ 1.628e-01 1.148e-01 -0.788 -0.940 -0.152 0.88 NaSO4- 5.423e-02 3.848e-02 -1.266 -1.415 -0.149 2.77 - NaOH 2.539e-17 2.669e-17 -16.595 -16.574 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.911 -43.889 0.022 33.90 -S(-2) 9.583e-29 - HS- 6.319e-29 4.181e-29 -28.199 -28.379 -0.179 20.70 - H2S 3.263e-29 3.430e-29 -28.486 -28.465 0.022 46.17 - S-2 5.184e-33 1.237e-33 -32.285 -32.908 -0.622 (0) - (H2S)2 0.000e+00 0.000e+00 -57.784 -57.762 0.022 24.22 + O2 0.000e+00 0.000e+00 -43.928 -43.906 0.022 33.90 +S(-2) 1.036e-28 + HS- 6.830e-29 4.518e-29 -28.166 -28.345 -0.179 20.70 + H2S 3.526e-29 3.707e-29 -28.453 -28.431 0.022 46.17 + S-2 5.603e-33 1.337e-33 -32.252 -32.874 -0.622 (0) + (H2S)2 0.000e+00 0.000e+00 -57.717 -57.695 0.022 24.22 S(6) 1.085e-01 SO4-2 5.427e-02 1.270e-02 -1.265 -1.896 -0.631 25.36 NaSO4- 5.423e-02 3.848e-02 -1.266 -1.415 -0.149 2.77 @@ -21229,12 +20996,12 @@ S(6) 1.085e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.48 -14.58 -3.10 H2 + H2(g) -11.47 -14.57 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -26.98 -34.99 -8.00 H2S + H2S(g) -26.95 -34.95 -8.00 H2S Mirabilite -4.13 -3.80 0.33 Na2SO4:10H2O - O2(g) -40.77 -43.89 -3.11 O2 - Sulfur -20.78 -17.30 3.48 S + O2(g) -40.79 -43.91 -3.11 O2 + Sulfur -20.75 -17.27 3.48 S Thenardite -3.05 -3.78 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21272,7 +21039,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.624 Charge balance - pe = 6.359 Adjusted to redox equilibrium + pe = 6.356 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 64487 Density (g/cm³) = 0.97649 Volume (L) = 1.04590 @@ -21280,9 +21047,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.865e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.417e-17 + Total alkalinity (eq/kg) = 3.544e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 3.740e-12 + Electrical balance (eq) = 2.116e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -21296,19 +21063,18 @@ Reaction 1. OH- 3.790e-06 2.415e-06 -5.421 -5.617 -0.196 -4.57 H+ 3.143e-07 2.377e-07 -6.503 -6.624 -0.121 0.00 H2O 5.551e+01 9.937e-01 1.744 -0.003 0.000 18.80 -H(0) 7.887e-30 - H2 3.943e-30 4.212e-30 -29.404 -29.375 0.029 28.57 +H(0) 7.998e-30 + H2 3.999e-30 4.272e-30 -29.398 -29.369 0.029 28.57 Na 3.000e-01 Na+ 2.183e-01 1.509e-01 -0.661 -0.821 -0.160 0.94 NaSO4- 8.173e-02 5.655e-02 -1.088 -1.248 -0.160 4.59 - NaOH 3.412e-17 3.644e-17 -16.467 -16.438 0.029 (0) -O(0) 9.492e-15 - O2 4.746e-15 5.070e-15 -14.324 -14.295 0.029 33.90 +O(0) 9.229e-15 + O2 4.615e-15 4.929e-15 -14.336 -14.307 0.029 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -87.341 -87.536 -0.196 20.84 - H2S 0.000e+00 0.000e+00 -87.668 -87.640 0.029 46.17 - S-2 0.000e+00 0.000e+00 -91.377 -92.048 -0.671 (0) - (H2S)2 0.000e+00 0.000e+00 -176.141 -176.112 0.029 24.22 + HS- 0.000e+00 0.000e+00 -87.316 -87.512 -0.196 20.84 + H2S 0.000e+00 0.000e+00 -87.644 -87.615 0.029 46.17 + S-2 0.000e+00 0.000e+00 -91.353 -92.023 -0.671 (0) + (H2S)2 0.000e+00 0.000e+00 -176.092 -176.064 0.029 24.22 S(6) 1.500e-01 NaSO4- 8.173e-02 5.655e-02 -1.088 -1.248 -0.160 4.59 SO4-2 6.826e-02 1.420e-02 -1.166 -1.848 -0.682 27.13 @@ -21318,12 +21084,12 @@ S(6) 1.500e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -26.27 -29.38 -3.10 H2 + H2(g) -26.27 -29.37 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -86.16 -94.16 -8.00 H2S + H2S(g) -86.13 -94.14 -8.00 H2S Mirabilite -3.85 -3.52 0.33 Na2SO4:10H2O - O2(g) -11.18 -14.30 -3.11 O2 - Sulfur -65.16 -61.67 3.48 S + O2(g) -11.19 -14.31 -3.11 O2 + Sulfur -65.14 -61.65 3.48 S Thenardite -2.77 -3.49 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21361,7 +21127,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.637 Charge balance - pe = -0.657 Adjusted to redox equilibrium + pe = -0.662 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 82001 Density (g/cm³) = 0.98257 Volume (L) = 1.04692 @@ -21369,10 +21135,10 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.691e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.473e-15 + Total alkalinity (eq/kg) = -6.257e-16 Temperature (°C) = 100.00 - Electrical balance (eq) = -1.109e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.458e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 5.631366e+01 @@ -21385,19 +21151,18 @@ Reaction 1. OH- 4.036e-06 2.483e-06 -5.394 -5.605 -0.211 -4.33 H+ 3.091e-07 2.308e-07 -6.510 -6.637 -0.127 0.00 H2O 5.551e+01 9.917e-01 1.744 -0.004 0.000 18.80 -H(0) 7.868e-16 - H2 3.934e-16 4.283e-16 -15.405 -15.368 0.037 28.57 +H(0) 8.050e-16 + H2 4.025e-16 4.382e-16 -15.395 -15.358 0.037 28.57 Na 4.037e-01 Na+ 2.855e-01 1.944e-01 -0.544 -0.711 -0.167 1.00 NaSO4- 1.182e-01 7.993e-02 -0.927 -1.097 -0.170 6.36 - NaOH 4.432e-17 4.825e-17 -16.353 -16.316 0.037 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -42.348 -42.311 0.037 33.90 -S(-2) 7.778e-32 - HS- 5.429e-32 3.340e-32 -31.265 -31.476 -0.211 20.98 - H2S 2.348e-32 2.556e-32 -31.629 -31.592 0.037 46.17 - S-2 5.497e-36 1.060e-36 -35.260 -35.975 -0.715 (0) - (H2S)2 0.000e+00 0.000e+00 -64.055 -64.018 0.037 24.22 + O2 0.000e+00 0.000e+00 -42.368 -42.331 0.037 33.90 +S(-2) 8.522e-32 + HS- 5.949e-32 3.659e-32 -31.226 -31.437 -0.211 20.98 + H2S 2.573e-32 2.801e-32 -31.590 -31.553 0.037 46.17 + S-2 6.023e-36 1.161e-36 -35.220 -35.935 -0.715 (0) + (H2S)2 0.000e+00 0.000e+00 -63.975 -63.939 0.037 24.22 S(6) 2.019e-01 NaSO4- 1.182e-01 7.993e-02 -0.927 -1.097 -0.170 6.36 SO4-2 8.361e-02 1.558e-02 -1.078 -1.807 -0.730 28.97 @@ -21407,12 +21172,12 @@ S(6) 2.019e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -12.27 -15.37 -3.10 H2 + H2(g) -12.26 -15.36 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -30.11 -38.11 -8.00 H2S + H2S(g) -30.07 -38.07 -8.00 H2S Mirabilite -3.60 -3.27 0.33 Na2SO4:10H2O - O2(g) -39.20 -42.31 -3.11 O2 - Sulfur -23.12 -19.63 3.48 S + O2(g) -39.22 -42.33 -3.11 O2 + Sulfur -23.09 -19.60 3.48 S Thenardite -2.51 -3.23 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21450,7 +21215,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.637 Charge balance - pe = -0.938 Adjusted to redox equilibrium + pe = -0.931 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 82141 Density (g/cm³) = 0.98262 Volume (L) = 1.04693 @@ -21458,9 +21223,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.698e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.133e-17 + Total alkalinity (eq/kg) = 6.259e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 2.216e-13 + Electrical balance (eq) = 1.121e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -21474,19 +21239,18 @@ Reaction 1. OH- 4.037e-06 2.483e-06 -5.394 -5.605 -0.211 -4.33 H+ 3.091e-07 2.307e-07 -6.510 -6.637 -0.127 0.00 H2O 5.551e+01 9.917e-01 1.744 -0.004 0.000 18.80 -H(0) 2.860e-15 - H2 1.430e-15 1.557e-15 -14.845 -14.808 0.037 28.57 +H(0) 2.771e-15 + H2 1.385e-15 1.508e-15 -14.858 -14.821 0.037 28.57 Na 4.046e-01 Na+ 2.860e-01 1.947e-01 -0.544 -0.711 -0.167 1.00 NaSO4- 1.186e-01 8.013e-02 -0.926 -1.096 -0.170 6.37 - NaOH 4.440e-17 4.835e-17 -16.353 -16.316 0.037 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.469 -43.433 0.037 33.90 -S(-2) 1.360e-29 - HS- 9.494e-30 5.839e-30 -29.023 -29.234 -0.211 20.98 - H2S 4.104e-30 4.468e-30 -29.387 -29.350 0.037 46.17 - S-2 9.620e-34 1.853e-34 -33.017 -33.732 -0.715 (0) - (H2S)2 0.000e+00 0.000e+00 -59.570 -59.533 0.037 24.22 + O2 0.000e+00 0.000e+00 -43.442 -43.405 0.037 33.90 +S(-2) 1.197e-29 + HS- 8.359e-30 5.141e-30 -29.078 -29.289 -0.211 20.98 + H2S 3.613e-30 3.934e-30 -29.442 -29.405 0.037 46.17 + S-2 8.470e-34 1.631e-34 -33.072 -33.787 -0.715 (0) + (H2S)2 0.000e+00 0.000e+00 -59.680 -59.643 0.037 24.22 S(6) 2.023e-01 NaSO4- 1.186e-01 8.013e-02 -0.926 -1.096 -0.170 6.37 SO4-2 8.373e-02 1.559e-02 -1.077 -1.807 -0.730 28.98 @@ -21496,12 +21260,12 @@ S(6) 2.023e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.71 -14.81 -3.10 H2 + H2(g) -11.72 -14.82 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -27.87 -35.87 -8.00 H2S + H2S(g) -27.92 -35.93 -8.00 H2S Mirabilite -3.60 -3.26 0.33 Na2SO4:10H2O - O2(g) -40.32 -43.43 -3.11 O2 - Sulfur -21.43 -17.95 3.48 S + O2(g) -40.29 -43.40 -3.11 O2 + Sulfur -21.48 -17.99 3.48 S Thenardite -2.50 -3.23 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21547,9 +21311,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.701e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.550e-16 + Total alkalinity (eq/kg) = -1.200e-16 Temperature (°C) = 100.00 - Electrical balance (eq) = 7.053e-11 + Electrical balance (eq) = 4.011e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -21564,18 +21328,17 @@ Reaction 1. H+ 3.091e-07 2.307e-07 -6.510 -6.637 -0.127 0.00 H2O 5.551e+01 9.917e-01 1.744 -0.004 0.000 18.80 H(0) 1.345e-29 - H2 6.723e-30 7.321e-30 -29.172 -29.135 0.037 28.57 + H2 6.726e-30 7.325e-30 -29.172 -29.135 0.037 28.57 Na 4.050e-01 Na+ 2.863e-01 1.949e-01 -0.543 -0.710 -0.167 1.00 NaSO4- 1.187e-01 8.022e-02 -0.926 -1.096 -0.170 6.38 - NaOH 4.444e-17 4.839e-17 -16.352 -16.315 0.037 (0) -O(0) 3.070e-15 - O2 1.535e-15 1.672e-15 -14.814 -14.777 0.037 33.90 +O(0) 3.067e-15 + O2 1.533e-15 1.670e-15 -14.814 -14.777 0.037 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.334 -86.545 -0.211 20.99 - H2S 0.000e+00 0.000e+00 -86.698 -86.661 0.037 46.17 - S-2 0.000e+00 0.000e+00 -90.328 -91.043 -0.715 (0) - (H2S)2 0.000e+00 0.000e+00 -174.192 -174.155 0.037 24.22 + HS- 0.000e+00 0.000e+00 -86.333 -86.544 -0.211 20.99 + H2S 0.000e+00 0.000e+00 -86.697 -86.660 0.037 46.17 + S-2 0.000e+00 0.000e+00 -90.327 -91.042 -0.715 (0) + (H2S)2 0.000e+00 0.000e+00 -174.190 -174.153 0.037 24.22 S(6) 2.025e-01 NaSO4- 1.187e-01 8.022e-02 -0.926 -1.096 -0.170 6.38 SO4-2 8.379e-02 1.559e-02 -1.077 -1.807 -0.730 28.99 @@ -21636,9 +21399,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.701e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.550e-16 + Total alkalinity (eq/kg) = -1.200e-16 Temperature (°C) = 100.00 - Electrical balance (eq) = 7.053e-11 + Electrical balance (eq) = 4.011e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -21653,18 +21416,17 @@ Reaction 1. H+ 3.091e-07 2.307e-07 -6.510 -6.637 -0.127 0.00 H2O 5.551e+01 9.917e-01 1.744 -0.004 0.000 18.80 H(0) 1.345e-29 - H2 6.723e-30 7.321e-30 -29.172 -29.135 0.037 28.57 + H2 6.726e-30 7.325e-30 -29.172 -29.135 0.037 28.57 Na 4.050e-01 Na+ 2.863e-01 1.949e-01 -0.543 -0.710 -0.167 1.00 NaSO4- 1.187e-01 8.022e-02 -0.926 -1.096 -0.170 6.38 - NaOH 4.444e-17 4.839e-17 -16.352 -16.315 0.037 (0) -O(0) 3.070e-15 - O2 1.535e-15 1.672e-15 -14.814 -14.777 0.037 33.90 +O(0) 3.067e-15 + O2 1.533e-15 1.670e-15 -14.814 -14.777 0.037 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.334 -86.545 -0.211 20.99 - H2S 0.000e+00 0.000e+00 -86.698 -86.661 0.037 46.17 - S-2 0.000e+00 0.000e+00 -90.328 -91.043 -0.715 (0) - (H2S)2 0.000e+00 0.000e+00 -174.192 -174.155 0.037 24.22 + HS- 0.000e+00 0.000e+00 -86.333 -86.544 -0.211 20.99 + H2S 0.000e+00 0.000e+00 -86.697 -86.660 0.037 46.17 + S-2 0.000e+00 0.000e+00 -90.327 -91.042 -0.715 (0) + (H2S)2 0.000e+00 0.000e+00 -174.190 -174.153 0.037 24.22 S(6) 2.025e-01 NaSO4- 1.187e-01 8.022e-02 -0.926 -1.096 -0.170 6.38 SO4-2 8.379e-02 1.559e-02 -1.077 -1.807 -0.730 28.99 @@ -21717,7 +21479,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.642 Charge balance - pe = 6.227 Adjusted to redox equilibrium + pe = 6.226 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 93083 Density (g/cm³) = 0.98661 Volume (L) = 1.04765 @@ -21725,9 +21487,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.225e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.539e-16 + Total alkalinity (eq/kg) = -7.973e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 6.340e-11 + Electrical balance (eq) = 3.764e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -21741,19 +21503,18 @@ Reaction 1. OH- 4.160e-06 2.511e-06 -5.381 -5.600 -0.219 -4.19 H+ 3.073e-07 2.279e-07 -6.512 -6.642 -0.130 0.00 H2O 5.551e+01 9.904e-01 1.744 -0.004 0.000 18.80 -H(0) 1.291e-29 - H2 6.454e-30 7.113e-30 -29.190 -29.148 0.042 28.57 +H(0) 1.298e-29 + H2 6.490e-30 7.153e-30 -29.188 -29.145 0.042 28.57 Na 4.734e-01 Na+ 3.296e-01 2.229e-01 -0.482 -0.652 -0.170 1.03 NaSO4- 1.438e-01 9.601e-02 -0.842 -1.018 -0.175 7.34 - NaOH 5.079e-17 5.598e-17 -16.294 -16.252 0.042 (0) -O(0) 3.204e-15 - O2 1.602e-15 1.766e-15 -14.795 -14.753 0.042 33.90 +O(0) 3.168e-15 + O2 1.584e-15 1.746e-15 -14.800 -14.758 0.042 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.359 -86.578 -0.219 21.07 - H2S 0.000e+00 0.000e+00 -86.742 -86.700 0.042 46.17 - S-2 0.000e+00 0.000e+00 -90.333 -91.071 -0.739 (0) - (H2S)2 0.000e+00 0.000e+00 -174.275 -174.233 0.042 24.22 + HS- 0.000e+00 0.000e+00 -86.349 -86.568 -0.219 21.07 + H2S 0.000e+00 0.000e+00 -86.732 -86.690 0.042 46.17 + S-2 0.000e+00 0.000e+00 -90.323 -91.061 -0.739 (0) + (H2S)2 0.000e+00 0.000e+00 -174.256 -174.213 0.042 24.22 S(6) 2.367e-01 NaSO4- 1.438e-01 9.601e-02 -0.842 -1.018 -0.175 7.34 SO4-2 9.291e-02 1.631e-02 -1.032 -1.787 -0.756 30.04 @@ -21763,12 +21524,12 @@ S(6) 2.367e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -26.05 -29.15 -3.10 H2 + H2(g) -26.04 -29.15 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O - H2S(g) -85.22 -93.22 -8.00 H2S + H2S(g) -85.21 -93.21 -8.00 H2S Mirabilite -3.47 -3.13 0.33 Na2SO4:10H2O - O2(g) -11.64 -14.75 -3.11 O2 - Sulfur -64.44 -60.96 3.48 S + O2(g) -11.64 -14.76 -3.11 O2 + Sulfur -64.44 -60.95 3.48 S Thenardite -2.37 -3.09 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21806,7 +21567,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -1.088 Adjusted to redox equilibrium + pe = -1.053 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 120655 Density (g/cm³) = 0.99732 Volume (L) = 1.04973 @@ -21814,9 +21575,9 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.601e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.855e-15 + Total alkalinity (eq/kg) = 2.896e-15 Temperature (°C) = 100.00 - Electrical balance (eq) = -4.454e-10 + Electrical balance (eq) = -4.460e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -21830,19 +21591,18 @@ Reaction 1. OH- 4.394e-06 2.547e-06 -5.357 -5.594 -0.237 -3.84 H+ 3.060e-07 2.238e-07 -6.514 -6.650 -0.136 0.00 H2O 5.551e+01 9.868e-01 1.744 -0.006 0.000 18.80 -H(0) 5.141e-15 - H2 2.571e-15 2.924e-15 -14.590 -14.534 0.056 28.57 +H(0) 4.380e-15 + H2 2.190e-15 2.492e-15 -14.660 -14.604 0.056 28.57 Na 6.606e-01 Na+ 4.452e-01 2.985e-01 -0.351 -0.525 -0.174 1.10 NaSO4- 2.154e-01 1.402e-01 -0.667 -0.853 -0.186 9.50 - NaOH 6.682e-17 7.602e-17 -16.175 -16.119 0.056 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -44.040 -43.984 0.056 33.90 -S(-2) 1.950e-28 - HS- 1.415e-28 8.202e-29 -27.849 -28.086 -0.237 21.27 - H2S 5.352e-29 6.089e-29 -28.271 -28.215 0.056 46.17 - S-2 1.646e-32 2.683e-33 -31.784 -32.571 -0.788 (0) - (H2S)2 0.000e+00 0.000e+00 -57.320 -57.264 0.056 24.22 + O2 0.000e+00 0.000e+00 -43.901 -43.845 0.056 33.90 +S(-2) 1.028e-28 + HS- 7.455e-29 4.322e-29 -28.128 -28.364 -0.237 21.27 + H2S 2.820e-29 3.208e-29 -28.550 -28.494 0.056 46.17 + S-2 8.670e-33 1.414e-33 -32.062 -32.850 -0.788 (0) + (H2S)2 0.000e+00 0.000e+00 -57.877 -57.821 0.056 24.22 S(6) 3.303e-01 NaSO4- 2.154e-01 1.402e-01 -0.667 -0.853 -0.186 9.50 SO4-2 1.149e-01 1.779e-02 -0.940 -1.750 -0.810 32.50 @@ -21852,12 +21612,12 @@ S(6) 3.303e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.43 -14.53 -3.10 H2 + H2(g) -11.50 -14.60 -3.10 H2 H2O(g) -0.01 -0.01 0.00 H2O - H2S(g) -26.73 -34.74 -8.00 H2S + H2S(g) -27.01 -35.01 -8.00 H2S Mirabilite -3.19 -2.86 0.33 Na2SO4:10H2O - O2(g) -40.87 -43.98 -3.11 O2 - Sulfur -20.57 -17.09 3.48 S + O2(g) -40.73 -43.85 -3.11 O2 + Sulfur -20.78 -17.30 3.48 S Thenardite -2.07 -2.80 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21895,7 +21655,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -1.088 Adjusted to redox equilibrium + pe = -1.053 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 120655 Density (g/cm³) = 0.99732 Volume (L) = 1.04973 @@ -21903,9 +21663,9 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.601e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.855e-15 + Total alkalinity (eq/kg) = 2.896e-15 Temperature (°C) = 100.00 - Electrical balance (eq) = -4.454e-10 + Electrical balance (eq) = -4.460e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -21919,19 +21679,18 @@ Reaction 1. OH- 4.394e-06 2.547e-06 -5.357 -5.594 -0.237 -3.84 H+ 3.060e-07 2.238e-07 -6.514 -6.650 -0.136 0.00 H2O 5.551e+01 9.868e-01 1.744 -0.006 0.000 18.80 -H(0) 5.141e-15 - H2 2.571e-15 2.924e-15 -14.590 -14.534 0.056 28.57 +H(0) 4.380e-15 + H2 2.190e-15 2.492e-15 -14.660 -14.604 0.056 28.57 Na 6.606e-01 Na+ 4.452e-01 2.985e-01 -0.351 -0.525 -0.174 1.10 NaSO4- 2.154e-01 1.402e-01 -0.667 -0.853 -0.186 9.50 - NaOH 6.682e-17 7.602e-17 -16.175 -16.119 0.056 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -44.040 -43.984 0.056 33.90 -S(-2) 1.950e-28 - HS- 1.415e-28 8.202e-29 -27.849 -28.086 -0.237 21.27 - H2S 5.352e-29 6.089e-29 -28.271 -28.215 0.056 46.17 - S-2 1.646e-32 2.683e-33 -31.784 -32.571 -0.788 (0) - (H2S)2 0.000e+00 0.000e+00 -57.320 -57.264 0.056 24.22 + O2 0.000e+00 0.000e+00 -43.901 -43.845 0.056 33.90 +S(-2) 1.028e-28 + HS- 7.455e-29 4.322e-29 -28.128 -28.364 -0.237 21.27 + H2S 2.820e-29 3.208e-29 -28.550 -28.494 0.056 46.17 + S-2 8.670e-33 1.414e-33 -32.062 -32.850 -0.788 (0) + (H2S)2 0.000e+00 0.000e+00 -57.877 -57.821 0.056 24.22 S(6) 3.303e-01 NaSO4- 2.154e-01 1.402e-01 -0.667 -0.853 -0.186 9.50 SO4-2 1.149e-01 1.779e-02 -0.940 -1.750 -0.810 32.50 @@ -21941,12 +21700,12 @@ S(6) 3.303e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.43 -14.53 -3.10 H2 + H2(g) -11.50 -14.60 -3.10 H2 H2O(g) -0.01 -0.01 0.00 H2O - H2S(g) -26.73 -34.74 -8.00 H2S + H2S(g) -27.01 -35.01 -8.00 H2S Mirabilite -3.19 -2.86 0.33 Na2SO4:10H2O - O2(g) -40.87 -43.98 -3.11 O2 - Sulfur -20.57 -17.09 3.48 S + O2(g) -40.73 -43.85 -3.11 O2 + Sulfur -20.78 -17.30 3.48 S Thenardite -2.07 -2.80 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -21984,7 +21743,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.652 Charge balance - pe = 6.227 Adjusted to redox equilibrium + pe = 6.230 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 159100 Density (g/cm³) = 1.01387 Volume (L) = 1.05334 @@ -21992,9 +21751,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 7.652e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.536e-16 + Total alkalinity (eq/kg) = -6.408e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 4.834e-13 + Electrical balance (eq) = 3.414e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -22008,19 +21767,18 @@ Reaction 1. OH- 4.585e-06 2.541e-06 -5.339 -5.595 -0.256 -3.36 H+ 3.094e-07 2.231e-07 -6.509 -6.652 -0.142 0.00 H2O 5.551e+01 9.813e-01 1.744 -0.008 0.000 18.80 -H(0) 1.142e-29 - H2 5.709e-30 6.809e-30 -29.243 -29.167 0.077 28.57 +H(0) 1.127e-29 + H2 5.633e-30 6.718e-30 -29.249 -29.173 0.077 28.57 Na 9.568e-01 Na+ 6.218e-01 4.170e-01 -0.206 -0.380 -0.174 1.18 NaSO4- 3.350e-01 2.122e-01 -0.475 -0.673 -0.198 12.05 - NaOH 8.884e-17 1.060e-16 -16.051 -15.975 0.077 (0) -O(0) 3.173e-15 - O2 1.586e-15 1.892e-15 -14.800 -14.723 0.077 33.90 +O(0) 3.259e-15 + O2 1.629e-15 1.943e-15 -14.788 -14.711 0.077 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.319 -86.575 -0.256 21.52 - H2S 0.000e+00 0.000e+00 -86.782 -86.706 0.077 46.17 - S-2 0.000e+00 0.000e+00 -90.218 -91.059 -0.841 (0) - (H2S)2 0.000e+00 0.000e+00 -174.321 -174.245 0.077 24.22 + HS- 0.000e+00 0.000e+00 -86.342 -86.598 -0.256 21.52 + H2S 0.000e+00 0.000e+00 -86.806 -86.729 0.077 46.17 + S-2 0.000e+00 0.000e+00 -90.241 -91.082 -0.841 (0) + (H2S)2 0.000e+00 0.000e+00 -174.368 -174.291 0.077 24.22 S(6) 4.784e-01 NaSO4- 3.350e-01 2.122e-01 -0.475 -0.673 -0.198 12.05 SO4-2 1.434e-01 1.928e-02 -0.843 -1.715 -0.872 35.64 @@ -22032,10 +21790,10 @@ S(6) 4.784e-01 H2(g) -26.07 -29.17 -3.10 H2 H2O(g) -0.01 -0.01 0.00 H2O - H2S(g) -85.22 -93.23 -8.00 H2S + H2S(g) -85.25 -93.25 -8.00 H2S Mirabilite -2.89 -2.56 0.33 Na2SO4:10H2O - O2(g) -11.61 -14.72 -3.11 O2 - Sulfur -64.43 -60.95 3.48 S + O2(g) -11.60 -14.71 -3.11 O2 + Sulfur -64.45 -60.97 3.48 S Thenardite -1.75 -2.47 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -22073,7 +21831,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance - pe = -0.974 Adjusted to redox equilibrium + pe = -0.983 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 169618 Density (g/cm³) = 1.01876 Volume (L) = 1.05449 @@ -22081,9 +21839,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.245e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.271e-18 + Total alkalinity (eq/kg) = 5.983e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 3.292e-14 + Electrical balance (eq) = 3.336e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -22097,19 +21855,18 @@ Reaction 1. OH- 4.616e-06 2.531e-06 -5.336 -5.597 -0.261 -3.23 H+ 3.112e-07 2.236e-07 -6.507 -6.651 -0.144 0.00 H2O 5.551e+01 9.797e-01 1.744 -0.009 0.000 18.80 -H(0) 2.867e-15 - H2 1.433e-15 1.733e-15 -14.844 -14.761 0.082 28.57 +H(0) 2.976e-15 + H2 1.488e-15 1.799e-15 -14.827 -14.745 0.082 28.57 Na 1.046e+00 Na+ 6.737e-01 4.527e-01 -0.172 -0.344 -0.173 1.20 NaSO4- 3.720e-01 2.341e-01 -0.429 -0.631 -0.201 12.68 - NaOH 9.476e-17 1.146e-16 -16.023 -15.941 0.082 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.618 -43.536 0.082 33.90 -S(-2) 2.793e-29 - HS- 2.090e-29 1.146e-29 -28.680 -28.941 -0.261 21.59 - H2S 7.028e-30 8.497e-30 -29.153 -29.071 0.082 46.17 - S-2 2.677e-33 3.751e-34 -32.572 -33.426 -0.853 (0) - (H2S)2 0.000e+00 0.000e+00 -59.057 -58.975 0.082 24.22 + O2 0.000e+00 0.000e+00 -43.651 -43.568 0.082 33.90 +S(-2) 3.243e-29 + HS- 2.427e-29 1.330e-29 -28.615 -28.876 -0.261 21.59 + H2S 8.161e-30 9.867e-30 -29.088 -29.006 0.082 46.17 + S-2 3.109e-33 4.356e-34 -32.507 -33.361 -0.853 (0) + (H2S)2 0.000e+00 0.000e+00 -58.927 -58.845 0.082 24.22 S(6) 5.229e-01 NaSO4- 3.720e-01 2.341e-01 -0.429 -0.631 -0.201 12.68 SO4-2 1.508e-01 1.959e-02 -0.822 -1.708 -0.886 36.46 @@ -22119,12 +21876,12 @@ S(6) 5.229e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.66 -14.76 -3.10 H2 + H2(g) -11.64 -14.74 -3.10 H2 H2O(g) -0.01 -0.01 0.00 H2O - H2S(g) -27.59 -35.59 -8.00 H2S + H2S(g) -27.52 -35.53 -8.00 H2S Mirabilite -2.82 -2.49 0.33 Na2SO4:10H2O - O2(g) -40.42 -43.54 -3.11 O2 - Sulfur -21.20 -17.72 3.48 S + O2(g) -40.45 -43.57 -3.11 O2 + Sulfur -21.15 -17.67 3.48 S Thenardite -1.67 -2.40 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -22162,7 +21919,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.643 Charge balance - pe = -1.119 Adjusted to redox equilibrium + pe = -1.111 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 207681 Density (g/cm³) = 1.03792 Volume (L) = 1.05931 @@ -22170,9 +21927,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.054e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.611e-17 + Total alkalinity (eq/kg) = 1.792e-16 Temperature (°C) = 100.00 - Electrical balance (eq) = 8.604e-14 + Electrical balance (eq) = 8.077e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -22186,19 +21943,18 @@ Reaction 1. OH- 4.665e-06 2.469e-06 -5.331 -5.607 -0.276 -2.74 H+ 3.201e-07 2.277e-07 -6.495 -6.643 -0.148 0.00 H2O 5.551e+01 9.732e-01 1.744 -0.012 0.000 18.80 -H(0) 5.488e-15 - H2 2.744e-15 3.497e-15 -14.562 -14.456 0.105 28.57 +H(0) 5.281e-15 + H2 2.641e-15 3.366e-15 -14.578 -14.473 0.105 28.57 Na 1.401e+00 Na+ 8.769e-01 5.973e-01 -0.057 -0.224 -0.167 1.27 NaSO4- 5.236e-01 3.228e-01 -0.281 -0.491 -0.210 14.85 - NaOH 1.157e-16 1.475e-16 -15.937 -15.831 0.105 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -44.257 -44.152 0.105 33.90 -S(-2) 5.150e-28 - HS- 3.920e-28 2.075e-28 -27.407 -27.683 -0.276 21.83 - H2S 1.229e-28 1.567e-28 -27.910 -27.805 0.105 46.17 - S-2 5.227e-32 6.674e-33 -31.282 -32.176 -0.894 (0) - (H2S)2 0.000e+00 0.000e+00 -56.548 -56.443 0.105 24.22 + O2 0.000e+00 0.000e+00 -44.224 -44.118 0.105 33.90 +S(-2) 4.418e-28 + HS- 3.363e-28 1.780e-28 -27.473 -27.750 -0.276 21.83 + H2S 1.055e-28 1.344e-28 -27.977 -27.872 0.105 46.17 + S-2 4.483e-32 5.725e-33 -31.348 -32.242 -0.894 (0) + (H2S)2 0.000e+00 0.000e+00 -56.682 -56.576 0.105 24.22 S(6) 7.003e-01 NaSO4- 5.236e-01 3.228e-01 -0.281 -0.491 -0.210 14.85 SO4-2 1.766e-01 2.047e-02 -0.753 -1.689 -0.936 39.36 @@ -22208,12 +21964,12 @@ S(6) 7.003e-01 Phase SI** log IAP log K(373 K, 1 atm) - H2(g) -11.36 -14.46 -3.10 H2 + H2(g) -11.37 -14.47 -3.10 H2 H2O(g) -0.02 -0.01 0.00 H2O - H2S(g) -26.32 -34.33 -8.00 H2S + H2S(g) -26.39 -34.39 -8.00 H2S Mirabilite -2.59 -2.25 0.33 Na2SO4:10H2O - O2(g) -41.04 -44.15 -3.11 O2 - Sulfur -20.24 -16.76 3.48 S + O2(g) -41.00 -44.12 -3.11 O2 + Sulfur -20.29 -16.81 3.48 S Thenardite -1.41 -2.14 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -22259,11 +22015,11 @@ Reaction 1. Activity of water = 0.956 Ionic strength (mol/kgw) = 1.636e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.655e-15 + Total alkalinity (eq/kg) = -5.019e-16 Temperature (°C) = 100.00 - Electrical balance (eq) = 2.545e-09 + Electrical balance (eq) = 4.696e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 7 Total H = 1.110124e+02 Total O = 6.024062e+01 @@ -22275,19 +22031,18 @@ Reaction 1. OH- 4.491e-06 2.235e-06 -5.348 -5.651 -0.303 -1.60 H+ 3.534e-07 2.471e-07 -6.452 -6.607 -0.155 0.00 H2O 5.551e+01 9.559e-01 1.744 -0.020 0.000 18.80 -H(0) 8.405e-30 - H2 4.203e-30 6.125e-30 -29.376 -29.213 0.164 28.57 +H(0) 8.380e-30 + H2 4.190e-30 6.107e-30 -29.378 -29.214 0.164 28.57 Na 2.367e+00 Na+ 1.410e+00 1.018e+00 0.149 0.008 -0.141 1.40 NaSO4- 9.573e-01 5.699e-01 -0.019 -0.244 -0.225 19.07 - NaOH 1.561e-16 2.275e-16 -15.807 -15.643 0.164 (0) -O(0) 3.044e-15 - O2 1.522e-15 2.218e-15 -14.818 -14.654 0.164 33.90 +O(0) 3.063e-15 + O2 1.531e-15 2.232e-15 -14.815 -14.651 0.164 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -86.324 -86.627 -0.303 22.34 - H2S 0.000e+00 0.000e+00 -86.877 -86.714 0.164 46.17 - S-2 0.000e+00 0.000e+00 -90.193 -91.156 -0.963 (0) - (H2S)2 0.000e+00 0.000e+00 -174.424 -174.261 0.164 24.22 + HS- 0.000e+00 0.000e+00 -86.330 -86.633 -0.303 22.34 + H2S 0.000e+00 0.000e+00 -86.883 -86.719 0.164 46.17 + S-2 0.000e+00 0.000e+00 -90.198 -91.161 -0.963 (0) + (H2S)2 0.000e+00 0.000e+00 -174.435 -174.271 0.164 24.22 S(6) 1.184e+00 NaSO4- 9.573e-01 5.699e-01 -0.019 -0.244 -0.225 19.07 SO4-2 2.263e-01 2.120e-02 -0.645 -1.674 -1.028 45.48 @@ -22299,10 +22054,10 @@ S(6) 1.184e+00 H2(g) -26.11 -29.21 -3.10 H2 H2O(g) -0.02 -0.02 0.00 H2O - H2S(g) -85.23 -93.23 -8.00 H2S + H2S(g) -85.24 -93.24 -8.00 H2S Mirabilite -2.19 -1.85 0.33 Na2SO4:10H2O O2(g) -11.54 -14.65 -3.11 O2 - Sulfur -64.39 -60.91 3.48 S + Sulfur -64.40 -60.91 3.48 S Thenardite -0.93 -1.66 -0.73 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. diff --git a/mytest/Vm_Na2SO4_sol_101.sel b/mytest/Vm_Na2SO4_sol_101.sel index 0d06b101e..5b0d98c23 100644 --- a/mytest/Vm_Na2SO4_sol_101.sel +++ b/mytest/Vm_Na2SO4_sol_101.sel @@ -1,250 +1,250 @@ Mu SC 0.000000100644 0.0547821292 0.000000043183 0.0164557980 - 0.080820443309 3634.5026164019 - 0.122717410466 5469.9383454821 - 0.133572446249 5942.8554472311 - 0.343503619872 14902.3524418346 - 0.406587034271 17521.2817765844 - 0.576544748023 24377.9783777303 - 0.879878821997 35754.5502453191 - 0.973312909030 39003.8428393788 - 1.087752752164 42805.4449193174 - 1.158286781855 45047.6313626338 - 1.952254063836 64766.7551100295 + 0.080820443309 3634.5026112829 + 0.122717410466 5469.9383363926 + 0.133572446246 5942.8554380766 + 0.343503619872 14902.3524027425 + 0.406587034241 17521.2817291978 + 0.576544748023 24377.9782972057 + 0.879878821991 35754.5501085031 + 0.973312909015 39003.8426865555 + 1.087752752471 42805.4447456439 + 1.158286781772 45047.6311821468 + 1.952254063853 64766.7548758719 0.000000067373 0.0312920192 - 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pe = -0.624 Adjusted to redox equilibrium + pe = -0.538 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 4588 Density (g/cm³) = 1.00297 Volume (L) = 1.00103 @@ -230,9 +230,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.845e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.319e-17 + Total alkalinity (eq/kg) = 3.796e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -7.316e-17 + Electrical balance (eq) = -4.290e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -249,22 +249,21 @@ Reaction 1. Cl 6.845e-02 Cl- 6.845e-02 5.467e-02 -1.165 -1.262 -0.098 17.15 HCl 8.790e-10 9.400e-10 -9.056 -9.027 0.029 (0) -H(0) 5.943e-17 - H2 2.972e-17 3.019e-17 -16.527 -16.520 0.007 28.63 +H(0) 4.001e-17 + H2 2.000e-17 2.032e-17 -16.699 -16.692 0.007 28.63 Na 6.845e-02 Na+ 6.845e-02 5.559e-02 -1.165 -1.255 -0.090 -2.60 - NaOH 2.308e-19 2.345e-19 -18.637 -18.630 0.007 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.267 -66.260 0.007 28.29 + O2 0.000e+00 0.000e+00 -65.923 -65.917 0.007 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.49 -16.52 -3.03 H2 + H2(g) -13.66 -16.69 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -4.07 -2.52 1.55 NaCl - O2(g) -63.55 -66.26 -2.71 O2 + O2(g) -63.20 -65.92 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -300,7 +299,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.354 Charge balance - pe = -0.453 Adjusted to redox equilibrium + pe = -0.523 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 6150 Density (g/cm³) = 1.00405 Volume (L) = 1.00140 @@ -308,9 +307,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.340e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.649e-17 + Total alkalinity (eq/kg) = 3.465e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.953e-16 + Electrical balance (eq) = -2.134e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -327,22 +326,21 @@ Reaction 1. Cl 9.340e-02 Cl- 9.340e-02 7.260e-02 -1.030 -1.139 -0.109 17.19 HCl 1.144e-09 1.253e-09 -8.942 -8.902 0.040 (0) -H(0) 2.706e-17 - H2 1.353e-17 1.382e-17 -16.869 -16.859 0.009 28.63 +H(0) 3.735e-17 + H2 1.867e-17 1.908e-17 -16.729 -16.719 0.009 28.63 Na 9.340e-02 Na+ 9.340e-02 7.423e-02 -1.030 -1.129 -0.100 -2.53 - NaOH 3.049e-19 3.115e-19 -18.516 -18.506 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.592 -65.583 0.009 28.29 + O2 0.000e+00 0.000e+00 -65.872 -65.863 0.009 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.83 -16.86 -3.03 H2 + H2(g) -13.69 -16.72 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.82 -2.27 1.55 NaCl - O2(g) -62.87 -65.58 -2.71 O2 + O2(g) -63.15 -65.86 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -378,7 +376,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.354 Charge balance - pe = -0.552 Adjusted to redox equilibrium + pe = -0.481 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 6240 Density (g/cm³) = 1.00411 Volume (L) = 1.00143 @@ -386,9 +384,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.485e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.955e-17 + Total alkalinity (eq/kg) = 3.073e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.226e-16 + Electrical balance (eq) = -2.184e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -405,22 +403,21 @@ Reaction 1. Cl 9.485e-02 Cl- 9.485e-02 7.363e-02 -1.023 -1.133 -0.110 17.19 HCl 1.159e-09 1.271e-09 -8.936 -8.896 0.040 (0) -H(0) 4.279e-17 - H2 2.139e-17 2.187e-17 -16.670 -16.660 0.009 28.63 +H(0) 3.085e-17 + H2 1.543e-17 1.577e-17 -16.812 -16.802 0.009 28.63 Na 9.485e-02 Na+ 9.485e-02 7.530e-02 -1.023 -1.123 -0.100 -2.53 - NaOH 3.091e-19 3.160e-19 -18.510 -18.500 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.990 -65.981 0.009 28.29 + O2 0.000e+00 0.000e+00 -65.706 -65.697 0.009 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.63 -16.66 -3.03 H2 + H2(g) -13.77 -16.80 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.81 -2.26 1.55 NaCl - O2(g) -63.27 -65.98 -2.71 O2 + O2(g) -62.98 -65.70 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -456,7 +453,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.354 Charge balance - pe = -0.476 Adjusted to redox equilibrium + pe = -0.524 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 6558 Density (g/cm³) = 1.00433 Volume (L) = 1.00150 @@ -464,9 +461,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.878e-17 + Total alkalinity (eq/kg) = 3.762e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -3.453e-16 + Electrical balance (eq) = -3.915e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -483,22 +480,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.725e-02 -1.000 -1.112 -0.112 17.20 HCl 1.210e-09 1.335e-09 -8.917 -8.875 0.043 (0) -H(0) 3.011e-17 - H2 1.505e-17 1.540e-17 -16.822 -16.812 0.010 28.63 +H(0) 3.762e-17 + H2 1.881e-17 1.925e-17 -16.726 -16.716 0.010 28.63 Na 1.000e-01 Na+ 1.000e-01 7.909e-02 -1.000 -1.102 -0.102 -2.52 - NaOH 3.240e-19 3.316e-19 -18.489 -18.479 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.687 -65.677 0.010 28.29 + O2 0.000e+00 0.000e+00 -65.880 -65.870 0.010 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.78 -16.81 -3.03 H2 + H2(g) -13.68 -16.72 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.77 -2.21 1.55 NaCl - O2(g) -62.96 -65.68 -2.71 O2 + O2(g) -63.16 -65.87 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -534,7 +530,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.352 Charge balance - pe = -0.437 Adjusted to redox equilibrium + pe = -0.460 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 8038 Density (g/cm³) = 1.00538 Volume (L) = 1.00187 @@ -542,9 +538,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.243e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.330e-17 + Total alkalinity (eq/kg) = 2.776e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.187e-15 + Electrical balance (eq) = -9.394e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -561,22 +557,21 @@ Reaction 1. Cl 1.243e-01 Cl- 1.243e-01 9.407e-02 -0.906 -1.027 -0.121 17.23 HCl 1.444e-09 1.631e-09 -8.840 -8.788 0.053 (0) -H(0) 2.515e-17 - H2 1.257e-17 1.294e-17 -16.901 -16.888 0.012 28.63 +H(0) 2.796e-17 + H2 1.398e-17 1.438e-17 -16.855 -16.842 0.012 28.63 Na 1.243e-01 Na+ 1.243e-01 9.679e-02 -0.906 -1.014 -0.108 -2.46 - NaOH 3.928e-19 4.042e-19 -18.406 -18.393 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.538 -65.526 0.012 28.29 + O2 0.000e+00 0.000e+00 -65.630 -65.618 0.012 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.85 -16.89 -3.03 H2 + H2(g) -13.81 -16.84 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.59 -2.04 1.55 NaCl - O2(g) -62.81 -65.53 -2.71 O2 + O2(g) -62.90 -65.62 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -612,7 +607,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.350 Charge balance - pe = -0.445 Adjusted to redox equilibrium + pe = -0.466 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 10263 Density (g/cm³) = 1.00698 Volume (L) = 1.00244 @@ -620,9 +615,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.615e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.415e-17 + Total alkalinity (eq/kg) = 2.847e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -6.567e-15 + Electrical balance (eq) = -4.820e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -639,22 +634,21 @@ Reaction 1. Cl 1.615e-01 Cl- 1.615e-01 1.192e-01 -0.792 -0.924 -0.132 17.27 HCl 1.771e-09 2.074e-09 -8.752 -8.683 0.069 (0) -H(0) 2.615e-17 - H2 1.307e-17 1.357e-17 -16.884 -16.867 0.016 28.63 +H(0) 2.874e-17 + H2 1.437e-17 1.491e-17 -16.843 -16.826 0.016 28.63 Na 1.615e-01 Na+ 1.615e-01 1.235e-01 -0.792 -0.908 -0.116 -2.39 - NaOH 4.944e-19 5.131e-19 -18.306 -18.290 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.585 -65.569 0.016 28.29 + O2 0.000e+00 0.000e+00 -65.667 -65.650 0.016 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.83 -16.87 -3.03 H2 + H2(g) -13.79 -16.83 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.38 -1.83 1.55 NaCl - O2(g) -62.85 -65.57 -2.71 O2 + O2(g) -62.94 -65.65 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -690,7 +684,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.350 Charge balance - pe = -0.538 Adjusted to redox equilibrium + pe = -0.514 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 10549 Density (g/cm³) = 1.00719 Volume (L) = 1.00251 @@ -698,9 +692,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.663e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.663e-17 + Total alkalinity (eq/kg) = 3.481e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -8.191e-15 + Electrical balance (eq) = -9.383e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -717,22 +711,21 @@ Reaction 1. Cl 1.663e-01 Cl- 1.663e-01 1.224e-01 -0.779 -0.912 -0.133 17.27 HCl 1.811e-09 2.131e-09 -8.742 -8.671 0.071 (0) -H(0) 4.001e-17 - H2 2.000e-17 2.079e-17 -16.699 -16.682 0.017 28.63 +H(0) 3.591e-17 + H2 1.795e-17 1.865e-17 -16.746 -16.729 0.017 28.63 Na 1.663e-01 Na+ 1.663e-01 1.270e-01 -0.779 -0.896 -0.117 -2.38 - NaOH 5.073e-19 5.271e-19 -18.295 -18.278 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.956 -65.939 0.017 28.29 + O2 0.000e+00 0.000e+00 -65.862 -65.845 0.017 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.65 -16.68 -3.03 H2 + H2(g) -13.69 -16.73 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.36 -1.81 1.55 NaCl - O2(g) -63.22 -65.94 -2.71 O2 + O2(g) -63.13 -65.85 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -768,7 +761,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.349 Charge balance - pe = -0.521 Adjusted to redox equilibrium + pe = -0.474 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 12431 Density (g/cm³) = 1.00856 Volume (L) = 1.00301 @@ -776,11 +769,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.985e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.661e-17 + Total alkalinity (eq/kg) = 2.217e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.570e-14 + Electrical balance (eq) = -3.378e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -795,22 +788,21 @@ Reaction 1. Cl 1.985e-01 Cl- 1.985e-01 1.435e-01 -0.702 -0.843 -0.141 17.30 HCl 2.063e-09 2.506e-09 -8.685 -8.601 0.084 (0) -H(0) 3.696e-17 - H2 1.848e-17 1.934e-17 -16.733 -16.713 0.020 28.63 +H(0) 2.977e-17 + H2 1.488e-17 1.558e-17 -16.827 -16.807 0.020 28.63 Na 1.985e-01 Na+ 1.985e-01 1.498e-01 -0.702 -0.824 -0.122 -2.32 - NaOH 5.918e-19 6.195e-19 -18.228 -18.208 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.897 -65.878 0.020 28.29 + O2 0.000e+00 0.000e+00 -65.709 -65.690 0.020 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.68 -16.71 -3.03 H2 + H2(g) -13.77 -16.81 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.22 -1.67 1.55 NaCl - O2(g) -63.16 -65.88 -2.71 O2 + O2(g) -62.97 -65.69 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -846,7 +838,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.349 Charge balance - pe = -0.563 Adjusted to redox equilibrium + pe = -0.447 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 12518 Density (g/cm³) = 1.00863 Volume (L) = 1.00303 @@ -854,11 +846,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.196e-17 + Total alkalinity (eq/kg) = 2.402e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.491e-14 + Electrical balance (eq) = -2.876e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -873,22 +865,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.445e-01 -0.699 -0.840 -0.141 17.31 HCl 2.075e-09 2.524e-09 -8.683 -8.598 0.085 (0) -H(0) 4.479e-17 - H2 2.239e-17 2.345e-17 -16.650 -16.630 0.020 28.63 +H(0) 2.627e-17 + H2 1.314e-17 1.376e-17 -16.881 -16.861 0.020 28.63 Na 2.000e-01 Na+ 2.000e-01 1.509e-01 -0.699 -0.821 -0.122 -2.32 - NaOH 5.957e-19 6.238e-19 -18.225 -18.205 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.065 -66.045 0.020 28.29 + O2 0.000e+00 0.000e+00 -65.602 -65.582 0.020 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.60 -16.63 -3.03 H2 + H2(g) -13.83 -16.86 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.21 -1.66 1.55 NaCl - O2(g) -63.33 -66.04 -2.71 O2 + O2(g) -62.87 -65.58 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -924,7 +915,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.347 Charge balance - pe = -0.559 Adjusted to redox equilibrium + pe = -0.460 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 15792 Density (g/cm³) = 1.01106 Volume (L) = 1.00393 @@ -932,9 +923,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.572e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.337e-17 + Total alkalinity (eq/kg) = 2.427e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -7.105e-14 + Electrical balance (eq) = -1.052e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -951,22 +942,21 @@ Reaction 1. Cl 2.572e-01 Cl- 2.572e-01 1.811e-01 -0.590 -0.742 -0.152 17.36 HCl 2.470e-09 3.178e-09 -8.607 -8.498 0.109 (0) -H(0) 4.383e-17 - H2 2.191e-17 2.325e-17 -16.659 -16.634 0.026 28.63 +H(0) 2.775e-17 + H2 1.387e-17 1.472e-17 -16.858 -16.832 0.026 28.63 Na 2.572e-01 Na+ 2.572e-01 1.913e-01 -0.590 -0.718 -0.129 -2.23 - NaOH 7.404e-19 7.855e-19 -18.131 -18.105 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.065 -66.039 0.026 28.29 + O2 0.000e+00 0.000e+00 -65.668 -65.642 0.026 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.60 -16.63 -3.03 H2 + H2(g) -13.80 -16.83 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -3.01 -1.46 1.55 NaCl - O2(g) -63.32 -66.04 -2.71 O2 + O2(g) -62.93 -65.64 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1002,7 +992,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.345 Charge balance - pe = -0.556 Adjusted to redox equilibrium + pe = -0.759 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 19292 Density (g/cm³) = 1.01371 Volume (L) = 1.00492 @@ -1010,11 +1000,11 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.200e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.518e-17 + Total alkalinity (eq/kg) = 4.469e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -3.873e-13 + Electrical balance (eq) = -5.485e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1029,22 +1019,21 @@ Reaction 1. Cl 3.200e-01 Cl- 3.200e-01 2.203e-01 -0.495 -0.657 -0.162 17.41 HCl 2.836e-09 3.880e-09 -8.547 -8.411 0.136 (0) -H(0) 4.303e-17 - H2 2.152e-17 2.316e-17 -16.667 -16.635 0.032 28.63 +H(0) 1.094e-16 + H2 5.469e-17 5.887e-17 -16.262 -16.230 0.032 28.63 Na 3.200e-01 Na+ 3.200e-01 2.354e-01 -0.495 -0.628 -0.133 -2.14 - NaOH 8.925e-19 9.607e-19 -18.049 -18.017 0.032 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.070 -66.038 0.032 28.29 + O2 0.000e+00 0.000e+00 -66.880 -66.848 0.032 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.60 -16.64 -3.03 H2 + H2(g) -13.20 -16.23 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -2.84 -1.29 1.55 NaCl - O2(g) -63.32 -66.04 -2.71 O2 + O2(g) -64.13 -66.85 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1080,7 +1069,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.345 Charge balance - pe = -0.542 Adjusted to redox equilibrium + pe = -0.380 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 20014 Density (g/cm³) = 1.01426 Volume (L) = 1.00513 @@ -1088,11 +1077,11 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.331e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.966e-17 + Total alkalinity (eq/kg) = 9.861e-18 Temperature (°C) = 5.00 - Electrical balance (eq) = -5.131e-13 + Electrical balance (eq) = -6.821e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1107,22 +1096,21 @@ Reaction 1. Cl 3.331e-01 Cl- 3.331e-01 2.284e-01 -0.477 -0.641 -0.164 17.42 HCl 2.905e-09 4.026e-09 -8.537 -8.395 0.142 (0) -H(0) 4.015e-17 - H2 2.008e-17 2.168e-17 -16.697 -16.664 0.033 28.63 +H(0) 1.906e-17 + H2 9.531e-18 1.029e-17 -17.021 -16.988 0.033 28.63 Na 3.331e-01 Na+ 3.331e-01 2.446e-01 -0.477 -0.612 -0.134 -2.12 - NaOH 9.235e-19 9.972e-19 -18.035 -18.001 0.033 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.014 -65.980 0.033 28.29 + O2 0.000e+00 0.000e+00 -65.367 -65.333 0.033 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.63 -16.66 -3.03 H2 + H2(g) -13.95 -16.99 -3.03 H2 H2O(g) -2.06 -0.00 2.06 H2O Halite -2.81 -1.25 1.55 NaCl - O2(g) -63.27 -65.98 -2.71 O2 + O2(g) -62.62 -65.33 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1158,7 +1146,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.344 Charge balance - pe = -0.523 Adjusted to redox equilibrium + pe = -0.737 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 21286 Density (g/cm³) = 1.01524 Volume (L) = 1.00550 @@ -1166,11 +1154,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.564e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.650e-17 + Total alkalinity (eq/kg) = 4.119e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.847e-13 + Electrical balance (eq) = -9.968e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1185,22 +1173,21 @@ Reaction 1. Cl 3.564e-01 Cl- 3.564e-01 2.426e-01 -0.448 -0.615 -0.167 17.43 HCl 3.020e-09 4.283e-09 -8.520 -8.368 0.152 (0) -H(0) 3.668e-17 - H2 1.834e-17 1.991e-17 -16.737 -16.701 0.036 28.63 +H(0) 9.845e-17 + H2 4.922e-17 5.343e-17 -16.308 -16.272 0.036 28.63 Na 3.564e-01 Na+ 3.564e-01 2.610e-01 -0.448 -0.583 -0.135 -2.09 - NaOH 9.781e-19 1.062e-18 -18.010 -17.974 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.943 -65.907 0.036 28.29 + O2 0.000e+00 0.000e+00 -66.800 -66.765 0.036 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.67 -16.70 -3.03 H2 + H2(g) -13.24 -16.27 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O Halite -2.75 -1.20 1.55 NaCl - O2(g) -63.19 -65.91 -2.71 O2 + O2(g) -64.05 -66.76 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1236,7 +1223,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.342 Charge balance - pe = -0.590 Adjusted to redox equilibrium + pe = -0.462 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 27652 Density (g/cm³) = 1.02022 Volume (L) = 1.00744 @@ -1244,11 +1231,11 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 4.758e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.526e-17 + Total alkalinity (eq/kg) = 2.677e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -4.413e-10 + Electrical balance (eq) = -1.487e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Iterations = 36 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1263,22 +1250,21 @@ Reaction 1. Cl 4.758e-01 Cl- 4.758e-01 3.145e-01 -0.323 -0.502 -0.180 17.52 HCl 3.503e-09 5.583e-09 -8.456 -8.253 0.202 (0) -H(0) 4.918e-17 - H2 2.459e-17 2.744e-17 -16.609 -16.562 0.048 28.63 +H(0) 2.726e-17 + H2 1.363e-17 1.521e-17 -16.866 -16.818 0.048 28.63 Na 4.758e-01 Na+ 4.758e-01 3.455e-01 -0.323 -0.462 -0.139 -1.96 - NaOH 1.247e-18 1.392e-18 -17.904 -17.856 0.048 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.237 -66.189 0.048 28.29 + O2 0.000e+00 0.000e+00 -65.724 -65.677 0.048 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.53 -16.56 -3.03 H2 + H2(g) -13.78 -16.82 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O Halite -2.52 -0.96 1.55 NaCl - O2(g) -63.47 -66.19 -2.71 O2 + O2(g) -62.96 -65.68 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1314,7 +1300,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.342 Charge balance - pe = -0.426 Adjusted to redox equilibrium + pe = -0.614 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 28041 Density (g/cm³) = 1.02052 Volume (L) = 1.00756 @@ -1322,11 +1308,11 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 4.832e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.861e-18 + Total alkalinity (eq/kg) = 3.479e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.034e-12 + Electrical balance (eq) = -2.038e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1341,22 +1327,21 @@ Reaction 1. Cl 4.832e-01 Cl- 4.832e-01 3.189e-01 -0.316 -0.496 -0.180 17.52 HCl 3.527e-09 5.663e-09 -8.453 -8.247 0.206 (0) -H(0) 2.309e-17 - H2 1.155e-17 1.291e-17 -16.938 -16.889 0.048 28.63 +H(0) 5.506e-17 + H2 2.753e-17 3.077e-17 -16.560 -16.512 0.048 28.63 Na 4.832e-01 Na+ 4.832e-01 3.508e-01 -0.316 -0.455 -0.139 -1.95 - NaOH 1.264e-18 1.412e-18 -17.898 -17.850 0.048 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.583 -65.535 0.048 28.29 + O2 0.000e+00 0.000e+00 -66.338 -66.289 0.048 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.85 -16.89 -3.03 H2 + H2(g) -13.48 -16.51 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O Halite -2.50 -0.95 1.55 NaCl - O2(g) -62.82 -65.53 -2.71 O2 + O2(g) -63.57 -66.29 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1392,7 +1377,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.341 Charge balance - pe = -0.548 Adjusted to redox equilibrium + pe = -0.203 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 28916 Density (g/cm³) = 1.02122 Volume (L) = 1.00784 @@ -1400,11 +1385,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.743e-17 + Total alkalinity (eq/kg) = 1.754e-18 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.203e-12 + Electrical balance (eq) = -6.381e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1419,22 +1404,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.289e-01 -0.301 -0.483 -0.182 17.53 HCl 3.581e-09 5.845e-09 -8.446 -8.233 0.213 (0) -H(0) 4.047e-17 - H2 2.024e-17 2.271e-17 -16.694 -16.644 0.050 28.63 +H(0) 8.272e-18 + H2 4.136e-18 4.640e-18 -17.383 -17.333 0.050 28.63 Na 5.000e-01 Na+ 5.000e-01 3.628e-01 -0.301 -0.440 -0.139 -1.93 - NaOH 1.300e-18 1.459e-18 -17.886 -17.836 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.076 -66.026 0.050 28.29 + O2 0.000e+00 0.000e+00 -64.697 -64.647 0.050 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.61 -16.64 -3.03 H2 + H2(g) -14.30 -17.33 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O Halite -2.48 -0.92 1.55 NaCl - O2(g) -63.31 -66.03 -2.71 O2 + O2(g) -61.93 -64.65 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1470,7 +1454,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.341 Charge balance - pe = 0.017 Adjusted to redox equilibrium + pe = -0.629 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 28978 Density (g/cm³) = 1.02127 Volume (L) = 1.00786 @@ -1478,11 +1462,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.012e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.661e-17 + Total alkalinity (eq/kg) = 5.258e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -5.985e-14 + Electrical balance (eq) = -3.306e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1497,22 +1481,21 @@ Reaction 1. Cl 5.012e-01 Cl- 5.012e-01 3.296e-01 -0.300 -0.482 -0.182 17.53 HCl 3.584e-09 5.858e-09 -8.446 -8.232 0.213 (0) -H(0) 2.994e-18 - H2 1.497e-18 1.680e-18 -17.825 -17.775 0.050 28.63 +H(0) 5.880e-17 + H2 2.940e-17 3.300e-17 -16.532 -16.482 0.050 28.63 Na 5.012e-01 Na+ 5.012e-01 3.637e-01 -0.300 -0.439 -0.139 -1.93 - NaOH 1.303e-18 1.462e-18 -17.885 -17.835 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.814 -63.764 0.050 28.29 + O2 0.000e+00 0.000e+00 -66.401 -66.350 0.050 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -14.74 -17.77 -3.03 H2 + H2(g) -13.45 -16.48 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O Halite -2.47 -0.92 1.55 NaCl - O2(g) -61.05 -63.76 -2.71 O2 + O2(g) -63.64 -66.35 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1548,7 +1531,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.341 Charge balance - pe = -0.520 Adjusted to redox equilibrium + pe = 0.168 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 29015 Density (g/cm³) = 1.02130 Volume (L) = 1.00787 @@ -1556,11 +1539,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.019e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.898e-17 + Total alkalinity (eq/kg) = -2.709e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -8.189e-15 + Electrical balance (eq) = -3.046e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1575,22 +1558,21 @@ Reaction 1. Cl 5.019e-01 Cl- 5.019e-01 3.300e-01 -0.299 -0.481 -0.182 17.53 HCl 3.586e-09 5.865e-09 -8.445 -8.232 0.214 (0) -H(0) 3.562e-17 - H2 1.781e-17 1.999e-17 -16.749 -16.699 0.050 28.63 +H(0) 1.497e-18 + H2 7.484e-19 8.401e-19 -18.126 -18.076 0.050 28.63 Na 5.019e-01 Na+ 5.019e-01 3.642e-01 -0.299 -0.439 -0.139 -1.93 - NaOH 1.304e-18 1.464e-18 -17.885 -17.834 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.965 -65.915 0.050 28.29 + O2 0.000e+00 0.000e+00 -63.212 -63.162 0.050 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.66 -16.70 -3.03 H2 + H2(g) -15.04 -18.08 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O Halite -2.47 -0.92 1.55 NaCl - O2(g) -63.20 -65.92 -2.71 O2 + O2(g) -60.45 -63.16 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1626,7 +1608,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.341 Charge balance - pe = -0.440 Adjusted to redox equilibrium + pe = 11.825 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 29324 Density (g/cm³) = 1.02154 Volume (L) = 1.00797 @@ -1634,11 +1616,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.079e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.634e-17 + Total alkalinity (eq/kg) = -3.594e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.836e-13 + Electrical balance (eq) = -3.527e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1653,22 +1635,21 @@ Reaction 1. Cl 5.079e-01 Cl- 5.079e-01 3.335e-01 -0.294 -0.477 -0.183 17.54 HCl 3.605e-09 5.929e-09 -8.443 -8.227 0.216 (0) -H(0) 2.461e-17 - H2 1.231e-17 1.383e-17 -16.910 -16.859 0.051 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -41.440 -41.389 0.051 28.63 Na 5.079e-01 Na+ 5.079e-01 3.685e-01 -0.294 -0.434 -0.139 -1.92 - NaOH 1.317e-18 1.481e-18 -17.880 -17.830 0.051 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.646 -65.596 0.051 28.29 +O(0) 5.189e-17 + O2 2.595e-17 2.917e-17 -16.586 -16.535 0.051 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.82 -16.86 -3.03 H2 + H2(g) -38.35 -41.39 -3.03 H2 H2O(g) -2.06 -0.01 2.06 H2O Halite -2.46 -0.91 1.55 NaCl - O2(g) -62.88 -65.60 -2.71 O2 + O2(g) -13.82 -16.54 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1704,7 +1685,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.339 Charge balance - pe = -0.610 Adjusted to redox equilibrium + pe = -0.674 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 36822 Density (g/cm³) = 1.02760 Volume (L) = 1.01042 @@ -1712,11 +1693,11 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.556e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.302e-17 + Total alkalinity (eq/kg) = 4.312e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -9.359e-12 + Electrical balance (eq) = -3.498e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 36 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1731,22 +1712,21 @@ Reaction 1. Cl 6.556e-01 Cl- 6.556e-01 4.200e-01 -0.183 -0.377 -0.193 17.62 HCl 3.950e-09 7.510e-09 -8.403 -8.124 0.279 (0) -H(0) 5.251e-17 - H2 2.625e-17 3.053e-17 -16.581 -16.515 0.066 28.63 +H(0) 7.047e-17 + H2 3.523e-17 4.097e-17 -16.453 -16.387 0.066 28.63 Na 6.556e-01 Na+ 6.556e-01 4.759e-01 -0.183 -0.322 -0.139 -1.78 - NaOH 1.627e-18 1.892e-18 -17.789 -17.723 0.066 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.353 -66.288 0.066 28.29 + O2 0.000e+00 0.000e+00 -66.609 -66.543 0.066 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.48 -16.52 -3.03 H2 + H2(g) -13.35 -16.39 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -2.25 -0.70 1.55 NaCl - O2(g) -63.57 -66.29 -2.71 O2 + O2(g) -63.83 -66.54 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1782,7 +1762,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.338 Charge balance - pe = -0.628 Adjusted to redox equilibrium + pe = -0.685 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 38247 Density (g/cm³) = 1.02878 Volume (L) = 1.01091 @@ -1790,9 +1770,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.844e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.444e-17 + Total alkalinity (eq/kg) = 6.211e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.230e-10 + Electrical balance (eq) = -3.547e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.110124e+02 @@ -1809,22 +1789,21 @@ Reaction 1. Cl 6.844e-01 Cl- 6.844e-01 4.367e-01 -0.165 -0.360 -0.195 17.64 HCl 3.997e-09 7.816e-09 -8.398 -8.107 0.291 (0) -H(0) 5.675e-17 - H2 2.838e-17 3.322e-17 -16.547 -16.479 0.068 28.63 +H(0) 7.403e-17 + H2 3.702e-17 4.333e-17 -16.432 -16.363 0.068 28.63 Na 6.844e-01 Na+ 6.844e-01 4.973e-01 -0.165 -0.303 -0.139 -1.75 - NaOH 1.685e-18 1.973e-18 -17.773 -17.705 0.068 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.430 -66.362 0.068 28.29 + O2 0.000e+00 0.000e+00 -66.661 -66.593 0.068 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.44 -16.48 -3.03 H2 + H2(g) -13.33 -16.36 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -2.22 -0.66 1.55 NaCl - O2(g) -63.65 -66.36 -2.71 O2 + O2(g) -63.88 -66.59 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1860,7 +1839,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.338 Charge balance - pe = -0.794 Adjusted to redox equilibrium + pe = -0.324 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 40219 Density (g/cm³) = 1.03041 Volume (L) = 1.01159 @@ -1868,11 +1847,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 7.247e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.617e-17 + Total alkalinity (eq/kg) = -1.636e-18 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.248e-11 + Electrical balance (eq) = -7.419e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1887,22 +1866,21 @@ Reaction 1. Cl 7.247e-01 Cl- 7.247e-01 4.599e-01 -0.140 -0.337 -0.197 17.66 HCl 4.052e-09 8.243e-09 -8.392 -8.084 0.308 (0) -H(0) 1.215e-16 - H2 6.073e-17 7.176e-17 -16.217 -16.144 0.072 28.63 +H(0) 1.392e-17 + H2 6.959e-18 8.223e-18 -17.157 -17.085 0.072 28.63 Na 7.247e-01 Na+ 7.247e-01 5.273e-01 -0.140 -0.278 -0.138 -1.72 - NaOH 1.765e-18 2.086e-18 -17.753 -17.681 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.104 -67.032 0.072 28.29 + O2 0.000e+00 0.000e+00 -65.223 -65.150 0.072 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.11 -16.14 -3.03 H2 + H2(g) -14.05 -17.08 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -2.17 -0.62 1.55 NaCl - O2(g) -64.32 -67.03 -2.71 O2 + O2(g) -62.44 -65.15 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1938,7 +1916,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.337 Charge balance - pe = -1.006 Adjusted to redox equilibrium + pe = 12.034 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 43256 Density (g/cm³) = 1.03295 Volume (L) = 1.01266 @@ -1946,11 +1924,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.875e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.715e-18 + Total alkalinity (eq/kg) = 1.073e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.656e-09 + Electrical balance (eq) = -1.253e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 39 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1965,22 +1943,21 @@ Reaction 1. Cl 7.875e-01 Cl- 7.875e-01 4.960e-01 -0.104 -0.305 -0.201 17.69 HCl 4.118e-09 8.909e-09 -8.385 -8.050 0.335 (0) -H(0) 3.194e-16 - H2 1.597e-16 1.915e-16 -15.797 -15.718 0.079 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -41.877 -41.798 0.079 28.63 Na 7.875e-01 Na+ 7.875e-01 5.747e-01 -0.104 -0.241 -0.137 -1.66 - NaOH 1.888e-18 2.264e-18 -17.724 -17.645 0.079 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.965 -67.886 0.079 28.29 +O(0) 3.132e-16 + O2 1.566e-16 1.878e-16 -15.805 -15.726 0.079 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -12.68 -15.72 -3.03 H2 + H2(g) -38.76 -41.80 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -2.10 -0.55 1.55 NaCl - O2(g) -65.17 -67.89 -2.71 O2 + O2(g) -13.01 -15.73 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2016,7 +1993,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.337 Charge balance - pe = -0.424 Adjusted to redox equilibrium + pe = -0.485 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 43854 Density (g/cm³) = 1.03345 Volume (L) = 1.01287 @@ -2024,11 +2001,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.274e-17 + Total alkalinity (eq/kg) = -1.948e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.530e-11 + Electrical balance (eq) = -2.682e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 32 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2043,22 +2020,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 5.032e-01 -0.097 -0.298 -0.201 17.70 HCl 4.128e-09 9.042e-09 -8.384 -8.044 0.340 (0) -H(0) 2.183e-17 - H2 1.091e-17 1.312e-17 -16.962 -16.882 0.080 28.63 +H(0) 2.893e-17 + H2 1.446e-17 1.739e-17 -16.840 -16.760 0.080 28.63 Na 8.000e-01 Na+ 8.000e-01 5.842e-01 -0.097 -0.233 -0.136 -1.65 - NaOH 1.913e-18 2.299e-18 -17.718 -17.638 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.639 -65.559 0.080 28.29 + O2 0.000e+00 0.000e+00 -65.883 -65.803 0.080 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.85 -16.88 -3.03 H2 + H2(g) -13.73 -16.76 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -2.08 -0.53 1.55 NaCl - O2(g) -62.84 -65.56 -2.71 O2 + O2(g) -63.09 -65.80 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2088,13 +2064,13 @@ Reaction 1. Elements Molality Moles - Cl 8.411e-01 8.412e-01 + Cl 8.412e-01 8.412e-01 Na 8.411e-01 8.412e-01 ----------------------------Description of solution---------------------------- pH = 7.336 Charge balance - pe = -0.786 Adjusted to redox equilibrium + pe = -0.830 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 45809 Density (g/cm³) = 1.03510 Volume (L) = 1.01358 @@ -2102,11 +2078,11 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.412e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.025e-17 + Total alkalinity (eq/kg) = 3.259e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -5.925e-14 + Electrical balance (eq) = -2.167e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 24 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2118,25 +2094,24 @@ Reaction 1. OH- 6.539e-08 3.925e-08 -7.184 -7.406 -0.222 -3.91 H+ 6.123e-08 4.613e-08 -7.213 -7.336 -0.123 0.00 H2O 5.551e+01 9.714e-01 1.744 -0.013 0.000 18.02 -Cl 8.411e-01 +Cl 8.412e-01 Cl- 8.411e-01 5.267e-01 -0.075 -0.278 -0.203 17.72 HCl 4.156e-09 9.478e-09 -8.381 -8.023 0.358 (0) -H(0) 1.149e-16 - H2 5.744e-17 6.971e-17 -16.241 -16.157 0.084 28.63 +H(0) 1.406e-16 + H2 7.029e-17 8.531e-17 -16.153 -16.069 0.084 28.63 Na 8.411e-01 Na+ 8.411e-01 6.158e-01 -0.075 -0.211 -0.135 -1.62 - NaOH 1.991e-18 2.417e-18 -17.701 -17.617 0.084 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.095 -67.010 0.084 28.29 + O2 0.000e+00 0.000e+00 -67.270 -67.186 0.084 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.12 -16.16 -3.03 H2 + H2(g) -13.03 -16.07 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -2.04 -0.49 1.55 NaCl - O2(g) -64.30 -67.01 -2.71 O2 + O2(g) -64.47 -67.19 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2172,7 +2147,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.335 Charge balance - pe = -0.820 Adjusted to redox equilibrium + pe = -0.844 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 50743 Density (g/cm³) = 1.03933 Volume (L) = 1.01541 @@ -2180,11 +2155,11 @@ Reaction 1. Activity of water = 0.968 Ionic strength (mol/kgw) = 9.471e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.504e-17 + Total alkalinity (eq/kg) = 8.447e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.091e-13 + Electrical balance (eq) = -2.134e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2199,22 +2174,21 @@ Reaction 1. Cl 9.471e-01 Cl- 9.471e-01 5.871e-01 -0.024 -0.231 -0.208 17.77 HCl 4.190e-09 1.060e-08 -8.378 -7.975 0.403 (0) -H(0) 1.316e-16 - H2 6.582e-17 8.185e-17 -16.182 -16.087 0.095 28.63 +H(0) 1.474e-16 + H2 7.372e-17 9.169e-17 -16.132 -16.038 0.095 28.63 Na 9.471e-01 Na+ 9.471e-01 6.986e-01 -0.024 -0.156 -0.132 -1.54 - NaOH 2.189e-18 2.722e-18 -17.660 -17.565 0.095 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.248 -67.153 0.095 28.29 + O2 0.000e+00 0.000e+00 -67.346 -67.252 0.095 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.05 -16.09 -3.03 H2 + H2(g) -13.00 -16.04 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -1.94 -0.39 1.55 NaCl - O2(g) -64.44 -67.15 -2.71 O2 + O2(g) -64.54 -67.25 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2250,7 +2224,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.334 Charge balance - pe = -0.363 Adjusted to redox equilibrium + pe = -0.575 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 51482 Density (g/cm³) = 1.03997 Volume (L) = 1.01569 @@ -2258,11 +2232,11 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.632e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.106e-18 + Total alkalinity (eq/kg) = -6.482e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -5.206e-11 + Electrical balance (eq) = -6.119e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 24 + Iterations = 19 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2277,22 +2251,21 @@ Reaction 1. Cl 9.632e-01 Cl- 9.632e-01 5.963e-01 -0.016 -0.225 -0.208 17.78 HCl 4.190e-09 1.077e-08 -8.378 -7.968 0.410 (0) -H(0) 1.602e-17 - H2 8.008e-18 9.996e-18 -17.096 -17.000 0.096 28.63 +H(0) 4.250e-17 + H2 2.125e-17 2.653e-17 -16.673 -16.576 0.096 28.63 Na 9.632e-01 Na+ 9.632e-01 7.114e-01 -0.016 -0.148 -0.132 -1.53 - NaOH 2.219e-18 2.769e-18 -17.654 -17.558 0.096 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.424 -65.327 0.096 28.29 + O2 0.000e+00 0.000e+00 -66.271 -66.175 0.096 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.97 -17.00 -3.03 H2 + H2(g) -13.54 -16.58 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -1.93 -0.37 1.55 NaCl - O2(g) -62.61 -65.33 -2.71 O2 + O2(g) -63.46 -66.17 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2328,7 +2301,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.334 Charge balance - pe = -0.497 Adjusted to redox equilibrium + pe = -0.760 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 52915 Density (g/cm³) = 1.04122 Volume (L) = 1.01624 @@ -2336,11 +2309,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.947e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.160e-17 + Total alkalinity (eq/kg) = 9.642e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -2.295e-13 + Electrical balance (eq) = -5.088e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2355,22 +2328,21 @@ Reaction 1. Cl 9.947e-01 Cl- 9.947e-01 6.142e-01 -0.002 -0.212 -0.209 17.79 HCl 4.189e-09 1.110e-08 -8.378 -7.955 0.423 (0) -H(0) 2.951e-17 - H2 1.476e-17 1.855e-17 -16.831 -16.732 0.099 28.63 +H(0) 9.913e-17 + H2 4.956e-17 6.232e-17 -16.305 -16.205 0.099 28.63 Na 9.947e-01 Na+ 9.947e-01 7.365e-01 -0.002 -0.133 -0.131 -1.50 - NaOH 2.276e-18 2.861e-18 -17.643 -17.543 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.965 -65.865 0.099 28.29 + O2 0.000e+00 0.000e+00 -67.017 -66.918 0.099 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.70 -16.73 -3.03 H2 + H2(g) -13.17 -16.21 -3.03 H2 H2O(g) -2.07 -0.01 2.06 H2O Halite -1.90 -0.34 1.55 NaCl - O2(g) -63.15 -65.87 -2.71 O2 + O2(g) -64.20 -66.92 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2406,7 +2378,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.334 Charge balance - pe = -0.342 Adjusted to redox equilibrium + pe = 1.146 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 53119 Density (g/cm³) = 1.04140 Volume (L) = 1.01632 @@ -2414,11 +2386,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.134e-17 + Total alkalinity (eq/kg) = -2.865e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -6.277e-11 + Electrical balance (eq) = -6.455e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2433,22 +2405,21 @@ Reaction 1. Cl 9.992e-01 Cl- 9.992e-01 6.167e-01 -0.000 -0.210 -0.210 17.80 HCl 4.188e-09 1.115e-08 -8.378 -7.953 0.425 (0) -H(0) 1.445e-17 - H2 7.224e-18 9.093e-18 -17.141 -17.041 0.100 28.63 +H(0) 1.527e-20 + H2 7.636e-21 9.611e-21 -20.117 -20.017 0.100 28.63 Na 9.992e-01 Na+ 9.992e-01 7.401e-01 -0.000 -0.131 -0.130 -1.50 - NaOH 2.284e-18 2.875e-18 -17.641 -17.541 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.346 -65.246 0.100 28.29 + O2 0.000e+00 0.000e+00 -59.394 -59.294 0.100 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -14.01 -17.04 -3.03 H2 + H2(g) -16.98 -20.02 -3.03 H2 H2O(g) -2.07 -0.02 2.06 H2O Halite -1.89 -0.34 1.55 NaCl - O2(g) -62.53 -65.25 -2.71 O2 + O2(g) -56.58 -59.29 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2484,7 +2455,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.334 Charge balance - pe = -1.067 Adjusted to redox equilibrium + pe = -0.978 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 53209 Density (g/cm³) = 1.04148 Volume (L) = 1.01636 @@ -2492,11 +2463,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.001e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.241e-16 + Total alkalinity (eq/kg) = 1.887e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = -9.682e-12 + Electrical balance (eq) = -3.127e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2511,22 +2482,21 @@ Reaction 1. Cl 1.001e+00 Cl- 1.001e+00 6.178e-01 0.001 -0.209 -0.210 17.80 HCl 4.188e-09 1.117e-08 -8.378 -7.952 0.426 (0) -H(0) 4.069e-16 - H2 2.034e-16 2.562e-16 -15.692 -15.591 0.100 28.63 +H(0) 2.708e-16 + H2 1.354e-16 1.705e-16 -15.868 -15.768 0.100 28.63 Na 1.001e+00 Na+ 1.001e+00 7.417e-01 0.001 -0.130 -0.130 -1.50 - NaOH 2.287e-18 2.880e-18 -17.641 -17.541 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.246 -68.146 0.100 28.29 + O2 0.000e+00 0.000e+00 -67.892 -67.792 0.100 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -12.56 -15.59 -3.03 H2 + H2(g) -12.73 -15.77 -3.03 H2 H2O(g) -2.07 -0.02 2.06 H2O Halite -1.89 -0.34 1.55 NaCl - O2(g) -65.43 -68.15 -2.71 O2 + O2(g) -65.08 -67.79 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2562,7 +2532,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.331 Charge balance - pe = -0.862 Adjusted to redox equilibrium + pe = -0.234 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 61971 Density (g/cm³) = 1.04928 Volume (L) = 1.01987 @@ -2570,11 +2540,11 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.027e-16 + Total alkalinity (eq/kg) = 3.739e-18 Temperature (°C) = 5.00 - Electrical balance (eq) = -4.052e-16 + Electrical balance (eq) = -1.350e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2589,22 +2559,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.304e-01 0.079 -0.136 -0.216 17.89 HCl 4.097e-09 1.328e-08 -8.388 -7.877 0.511 (0) -H(0) 1.527e-16 - H2 7.635e-17 1.006e-16 -16.117 -15.997 0.120 28.63 +H(0) 8.498e-18 + H2 4.249e-18 5.601e-18 -17.372 -17.252 0.120 28.63 Na 1.200e+00 Na+ 1.200e+00 9.057e-01 0.079 -0.043 -0.122 -1.36 - NaOH 2.635e-18 3.474e-18 -17.579 -17.459 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.460 -67.340 0.120 28.29 + O2 0.000e+00 0.000e+00 -64.951 -64.831 0.120 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -12.96 -16.00 -3.03 H2 + H2(g) -14.22 -17.25 -3.03 H2 H2O(g) -2.08 -0.02 2.06 H2O Halite -1.73 -0.18 1.55 NaCl - O2(g) -64.63 -67.34 -2.71 O2 + O2(g) -62.12 -64.83 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2640,7 +2609,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.331 Charge balance - pe = -0.825 Adjusted to redox equilibrium + pe = 0.865 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 64566 Density (g/cm³) = 1.05165 Volume (L) = 1.02096 @@ -2648,9 +2617,9 @@ Reaction 1. Activity of water = 0.957 Ionic strength (mol/kgw) = 1.261e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.317e-17 + Total alkalinity (eq/kg) = -2.668e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = -5.565e-09 + Electrical balance (eq) = -5.689e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -2667,22 +2636,21 @@ Reaction 1. Cl 1.261e+00 Cl- 1.261e+00 7.649e-01 0.101 -0.116 -0.217 17.91 HCl 4.048e-09 1.393e-08 -8.393 -7.856 0.537 (0) -H(0) 1.274e-16 - H2 6.371e-17 8.517e-17 -16.196 -16.070 0.126 28.63 +H(0) 5.331e-20 + H2 2.665e-20 3.563e-20 -19.574 -19.448 0.126 28.63 Na 1.261e+00 Na+ 1.261e+00 9.578e-01 0.101 -0.019 -0.119 -1.32 - NaOH 2.738e-18 3.660e-18 -17.563 -17.437 0.126 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.323 -67.197 0.126 28.29 + O2 0.000e+00 0.000e+00 -60.566 -60.440 0.126 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.04 -16.07 -3.03 H2 + H2(g) -16.41 -19.45 -3.03 H2 H2O(g) -2.08 -0.02 2.06 H2O Halite -1.69 -0.14 1.55 NaCl - O2(g) -64.48 -67.20 -2.71 O2 + O2(g) -57.73 -60.44 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2718,7 +2686,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.328 Charge balance - pe = -0.692 Adjusted to redox equilibrium + pe = -0.728 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 74319 Density (g/cm³) = 1.06082 Volume (L) = 1.02530 @@ -2726,11 +2694,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.419e-17 + Total alkalinity (eq/kg) = -1.216e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -3.740e-10 + Electrical balance (eq) = -6.893e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2745,22 +2713,21 @@ Reaction 1. Cl 1.500e+00 Cl- 1.500e+00 8.998e-01 0.176 -0.046 -0.222 18.01 HCl 3.789e-09 1.648e-08 -8.421 -7.783 0.638 (0) -H(0) 6.622e-17 - H2 3.311e-17 4.676e-17 -16.480 -16.330 0.150 28.63 +H(0) 7.830e-17 + H2 3.915e-17 5.530e-17 -16.407 -16.257 0.150 28.63 Na 1.500e+00 Na+ 1.500e+00 1.171e+00 0.176 0.069 -0.108 -1.17 - NaOH 3.123e-18 4.411e-18 -17.505 -17.355 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.834 -66.684 0.150 28.29 + O2 0.000e+00 0.000e+00 -66.979 -66.830 0.150 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.30 -16.33 -3.03 H2 + H2(g) -13.22 -16.26 -3.03 H2 H2O(g) -2.08 -0.02 2.06 H2O Halite -1.53 0.02 1.55 NaCl - O2(g) -63.97 -66.68 -2.71 O2 + O2(g) -64.11 -66.83 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2796,7 +2763,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.328 Charge balance - pe = -0.669 Adjusted to redox equilibrium + pe = -0.416 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 74396 Density (g/cm³) = 1.06089 Volume (L) = 1.02533 @@ -2804,11 +2771,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.502e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.524e-17 + Total alkalinity (eq/kg) = -3.888e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = -8.313e-14 + Electrical balance (eq) = -1.138e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 7 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2823,22 +2790,21 @@ Reaction 1. Cl 1.502e+00 Cl- 1.502e+00 9.009e-01 0.177 -0.045 -0.222 18.01 HCl 3.787e-09 1.650e-08 -8.422 -7.783 0.639 (0) -H(0) 5.949e-17 - H2 2.974e-17 4.203e-17 -16.527 -16.376 0.150 28.63 +H(0) 1.858e-17 + H2 9.292e-18 1.313e-17 -17.032 -16.882 0.150 28.63 Na 1.502e+00 Na+ 1.502e+00 1.173e+00 0.177 0.069 -0.107 -1.17 - NaOH 3.126e-18 4.417e-18 -17.505 -17.355 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.741 -66.591 0.150 28.29 + O2 0.000e+00 0.000e+00 -65.731 -65.581 0.150 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.34 -16.38 -3.03 H2 + H2(g) -13.85 -16.88 -3.03 H2 H2O(g) -2.08 -0.02 2.06 H2O Halite -1.53 0.02 1.55 NaCl - O2(g) -63.88 -66.59 -2.71 O2 + O2(g) -62.87 -65.58 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2874,7 +2840,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.326 Charge balance - pe = -0.459 Adjusted to redox equilibrium + pe = -0.772 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 85034 Density (g/cm³) = 1.07145 Volume (L) = 1.03054 @@ -2882,11 +2848,11 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.782e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.982e-17 + Total alkalinity (eq/kg) = 8.656e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.273e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 20 + Electrical balance (eq) = 1.311e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2901,22 +2867,21 @@ Reaction 1. Cl 1.782e+00 Cl- 1.782e+00 1.060e+00 0.251 0.025 -0.226 18.12 HCl 3.403e-09 1.952e-08 -8.468 -7.710 0.759 (0) -H(0) 2.144e-17 - H2 1.072e-17 1.616e-17 -16.970 -16.792 0.178 28.63 +H(0) 9.082e-17 + H2 4.541e-17 6.845e-17 -16.343 -16.165 0.178 28.63 Na 1.782e+00 Na+ 1.782e+00 1.443e+00 0.251 0.159 -0.092 -1.00 - NaOH 3.548e-18 5.349e-18 -17.450 -17.272 0.178 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.948 -65.770 0.178 28.29 + O2 0.000e+00 0.000e+00 -67.202 -67.024 0.178 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.76 -16.79 -3.03 H2 + H2(g) -13.13 -16.16 -3.03 H2 H2O(g) -2.08 -0.03 2.06 H2O Halite -1.37 0.18 1.55 NaCl - O2(g) -63.06 -65.77 -2.71 O2 + O2(g) -64.31 -67.02 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2952,7 +2917,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.325 Charge balance - pe = -0.737 Adjusted to redox equilibrium + pe = -0.931 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 90981 Density (g/cm³) = 1.07765 Volume (L) = 1.03370 @@ -2960,11 +2925,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.950e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.174e-17 + Total alkalinity (eq/kg) = 6.069e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 8.506e-11 + Electrical balance (eq) = 2.721e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2979,22 +2944,21 @@ Reaction 1. Cl 1.950e+00 Cl- 1.950e+00 1.155e+00 0.290 0.063 -0.227 18.18 HCl 3.157e-09 2.134e-08 -8.501 -7.671 0.830 (0) -H(0) 7.464e-17 - H2 3.732e-17 5.847e-17 -16.428 -16.233 0.195 28.63 +H(0) 1.830e-16 + H2 9.150e-17 1.434e-16 -16.039 -15.844 0.195 28.63 Na 1.950e+00 Na+ 1.950e+00 1.615e+00 0.290 0.208 -0.082 -0.91 - NaOH 3.787e-18 5.934e-18 -17.422 -17.227 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.087 -66.892 0.195 28.29 + O2 0.000e+00 0.000e+00 -67.866 -67.671 0.195 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.20 -16.23 -3.03 H2 + H2(g) -12.81 -15.84 -3.03 H2 H2O(g) -2.09 -0.03 2.06 H2O Halite -1.28 0.27 1.55 NaCl - O2(g) -64.18 -66.89 -2.71 O2 + O2(g) -64.96 -67.67 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3030,7 +2994,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.325 Charge balance - pe = -0.815 Adjusted to redox equilibrium + pe = -1.071 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 91499 Density (g/cm³) = 1.07820 Volume (L) = 1.03398 @@ -3038,11 +3002,11 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.965e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.082e-17 + Total alkalinity (eq/kg) = -1.166e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 6.462e-14 + Electrical balance (eq) = 1.977e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3057,22 +3021,21 @@ Reaction 1. Cl 1.965e+00 Cl- 1.965e+00 1.164e+00 0.293 0.066 -0.227 18.18 HCl 3.135e-09 2.150e-08 -8.504 -7.668 0.836 (0) -H(0) 1.067e-16 - H2 5.334e-17 8.386e-17 -16.273 -16.076 0.197 28.63 +H(0) 3.470e-16 + H2 1.735e-16 2.728e-16 -15.761 -15.564 0.197 28.63 Na 1.965e+00 Na+ 1.965e+00 1.631e+00 0.293 0.212 -0.081 -0.90 - NaOH 3.808e-18 5.987e-18 -17.419 -17.223 0.197 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.402 -67.206 0.197 28.29 + O2 0.000e+00 0.000e+00 -68.427 -68.230 0.197 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.04 -16.08 -3.03 H2 + H2(g) -12.53 -15.56 -3.03 H2 H2O(g) -2.09 -0.03 2.06 H2O Halite -1.27 0.28 1.55 NaCl - O2(g) -64.49 -67.21 -2.71 O2 + O2(g) -65.52 -68.23 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3108,7 +3071,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.324 Charge balance - pe = -0.832 Adjusted to redox equilibrium + pe = -1.060 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 92813 Density (g/cm³) = 1.07961 Volume (L) = 1.03471 @@ -3116,11 +3079,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.070e-17 + Total alkalinity (eq/kg) = 1.945e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = 3.106e-16 + Electrical balance (eq) = 1.864e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3135,22 +3098,21 @@ Reaction 1. Cl 2.003e+00 Cl- 2.003e+00 1.186e+00 0.302 0.074 -0.228 18.19 HCl 3.077e-09 2.192e-08 -8.512 -7.659 0.853 (0) -H(0) 1.144e-16 - H2 5.720e-17 9.072e-17 -16.243 -16.042 0.200 28.63 +H(0) 3.279e-16 + H2 1.640e-16 2.601e-16 -15.785 -15.585 0.200 28.63 Na 2.003e+00 Na+ 2.003e+00 1.671e+00 0.302 0.223 -0.079 -0.88 - NaOH 3.862e-18 6.125e-18 -17.413 -17.213 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.476 -67.275 0.200 28.29 + O2 0.000e+00 0.000e+00 -68.390 -68.190 0.200 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -13.01 -16.04 -3.03 H2 + H2(g) -12.55 -15.58 -3.03 H2 H2O(g) -2.09 -0.03 2.06 H2O Halite -1.26 0.30 1.55 NaCl - O2(g) -64.56 -67.28 -2.71 O2 + O2(g) -65.48 -68.19 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3186,7 +3148,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.323 Charge balance - pe = -1.185 Adjusted to redox equilibrium + pe = 11.859 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 100938 Density (g/cm³) = 1.08861 Volume (L) = 1.03949 @@ -3194,11 +3156,11 @@ Reaction 1. Activity of water = 0.923 Ionic strength (mol/kgw) = 2.252e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.037e-16 + Total alkalinity (eq/kg) = -6.188e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 1.232e-10 + Electrical balance (eq) = 9.304e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3213,22 +3175,21 @@ Reaction 1. Cl 2.252e+00 Cl- 2.252e+00 1.328e+00 0.353 0.123 -0.229 18.28 HCl 2.712e-09 2.464e-08 -8.567 -7.608 0.958 (0) -H(0) 5.523e-16 - H2 2.761e-16 4.638e-16 -15.559 -15.334 0.225 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -41.646 -41.420 0.225 28.63 Na 2.252e+00 Na+ 2.252e+00 1.947e+00 0.353 0.289 -0.063 -0.76 - NaOH 4.195e-18 7.045e-18 -17.377 -17.152 0.225 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.926 -68.700 0.225 28.29 +O(0) 3.540e-17 + O2 1.770e-17 2.973e-17 -16.752 -16.527 0.225 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -12.30 -15.33 -3.03 H2 + H2(g) -38.39 -41.42 -3.03 H2 H2O(g) -2.09 -0.03 2.06 H2O Halite -1.14 0.41 1.55 NaCl - O2(g) -65.99 -68.70 -2.71 O2 + O2(g) -13.81 -16.53 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3264,7 +3225,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.322 Charge balance - pe = -0.971 Adjusted to redox equilibrium + pe = 12.147 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 107656 Density (g/cm³) = 1.09650 Volume (L) = 1.04382 @@ -3272,11 +3233,11 @@ Reaction 1. Activity of water = 0.916 Ionic strength (mol/kgw) = 2.473e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.384e-17 + Total alkalinity (eq/kg) = -9.538e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 8.843e-13 + Electrical balance (eq) = 1.634e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3291,22 +3252,21 @@ Reaction 1. Cl 2.473e+00 Cl- 2.473e+00 1.457e+00 0.393 0.163 -0.230 18.35 HCl 2.399e-09 2.708e-08 -8.620 -7.567 1.053 (0) -H(0) 1.973e-16 - H2 9.864e-17 1.743e-16 -16.006 -15.759 0.247 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.242 -41.995 0.247 28.63 Na 2.473e+00 Na+ 2.473e+00 2.210e+00 0.393 0.344 -0.049 -0.65 - NaOH 4.478e-18 7.914e-18 -17.349 -17.102 0.247 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.105 -67.858 0.247 28.29 +O(0) 4.656e-16 + O2 2.328e-16 4.114e-16 -15.633 -15.386 0.247 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -12.72 -15.76 -3.03 H2 + H2(g) -38.96 -41.99 -3.03 H2 H2O(g) -2.10 -0.04 2.06 H2O Halite -1.05 0.51 1.55 NaCl - O2(g) -65.14 -67.86 -2.71 O2 + O2(g) -12.67 -15.39 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3342,7 +3302,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.321 Charge balance - pe = 12.031 Adjusted to redox equilibrium + pe = -0.579 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 115691 Density (g/cm³) = 1.10661 Volume (L) = 1.04955 @@ -3350,11 +3310,11 @@ Reaction 1. Activity of water = 0.906 Ionic strength (mol/kgw) = 2.763e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.229e-16 + Total alkalinity (eq/kg) = -9.386e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 3.091e-16 + Electrical balance (eq) = 4.733e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 37 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3369,22 +3329,21 @@ Reaction 1. Cl 2.762e+00 Cl- 2.762e+00 1.626e+00 0.441 0.211 -0.230 18.44 HCl 2.021e-09 3.029e-08 -8.694 -7.519 1.176 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.037 -41.761 0.276 28.63 +H(0) 3.048e-17 + H2 1.524e-17 2.879e-17 -16.817 -16.541 0.276 28.63 Na 2.762e+00 Na+ 2.762e+00 2.580e+00 0.441 0.412 -0.030 -0.52 - NaOH 4.828e-18 9.120e-18 -17.316 -17.040 0.276 (0) -O(0) 1.451e-16 - O2 7.254e-17 1.370e-16 -16.139 -15.863 0.276 28.29 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -66.579 -66.303 0.276 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -38.73 -41.76 -3.03 H2 + H2(g) -13.51 -16.54 -3.03 H2 H2O(g) -2.10 -0.04 2.06 H2O Halite -0.93 0.62 1.55 NaCl - O2(g) -13.15 -15.86 -2.71 O2 + O2(g) -63.59 -66.30 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3420,7 +3379,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.320 Charge balance - pe = 11.419 Adjusted to redox equilibrium + pe = -1.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 120507 Density (g/cm³) = 1.11310 Volume (L) = 1.05336 @@ -3428,11 +3387,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.951e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.328e-17 + Total alkalinity (eq/kg) = 2.184e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = 6.481e-11 + Electrical balance (eq) = 2.158e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3447,22 +3406,21 @@ Reaction 1. Cl 2.951e+00 Cl- 2.951e+00 1.737e+00 0.470 0.240 -0.230 18.50 HCl 1.797e-09 3.241e-08 -8.745 -7.489 1.256 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.831 -40.536 0.295 28.63 +H(0) 3.705e-16 + H2 1.853e-16 3.656e-16 -15.732 -15.437 0.295 28.63 Na 2.951e+00 Na+ 2.951e+00 2.839e+00 0.470 0.453 -0.017 -0.43 - NaOH 5.046e-18 9.956e-18 -17.297 -17.002 0.295 (0) -O(0) 4.873e-19 - O2 2.437e-19 4.808e-19 -18.613 -18.318 0.295 28.29 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.811 -68.516 0.295 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -37.50 -40.54 -3.03 H2 + H2(g) -12.40 -15.44 -3.03 H2 H2O(g) -2.10 -0.05 2.06 H2O Halite -0.86 0.69 1.55 NaCl - O2(g) -15.60 -18.32 -2.71 O2 + O2(g) -65.80 -68.52 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3498,7 +3456,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.320 Charge balance - pe = -1.494 Adjusted to redox equilibrium + pe = -0.841 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 121295 Density (g/cm³) = 1.11419 Volume (L) = 1.05401 @@ -3506,11 +3464,11 @@ Reaction 1. Activity of water = 0.899 Ionic strength (mol/kgw) = 2.984e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.616e-16 + Total alkalinity (eq/kg) = 9.541e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = -7.763e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Electrical balance (eq) = 8.612e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3525,22 +3483,21 @@ Reaction 1. Cl 2.984e+00 Cl- 2.984e+00 1.757e+00 0.475 0.245 -0.230 18.51 HCl 1.760e-09 3.277e-08 -8.754 -7.485 1.270 (0) -H(0) 1.963e-15 - H2 9.814e-16 1.951e-15 -15.008 -14.710 0.298 28.63 +H(0) 9.713e-17 + H2 4.857e-17 9.654e-17 -16.314 -16.015 0.298 28.63 Na 2.984e+00 Na+ 2.984e+00 2.885e+00 0.475 0.460 -0.015 -0.42 - NaOH 5.083e-18 1.010e-17 -17.294 -16.996 0.298 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.270 -69.972 0.298 28.29 + O2 0.000e+00 0.000e+00 -67.659 -67.361 0.298 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -11.68 -14.71 -3.03 H2 + H2(g) -12.98 -16.02 -3.03 H2 H2O(g) -2.10 -0.05 2.06 H2O Halite -0.85 0.70 1.55 NaCl - O2(g) -67.26 -69.97 -2.71 O2 + O2(g) -64.65 -67.36 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3576,7 +3533,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.320 Charge balance - pe = 0.378 Adjusted to redox equilibrium + pe = -0.571 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 132406 Density (g/cm³) = 1.13101 Volume (L) = 1.06436 @@ -3584,11 +3541,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.694e-16 + Total alkalinity (eq/kg) = -2.310e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = 5.277e-11 + Electrical balance (eq) = 1.244e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3603,22 +3560,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 2.060e+00 0.542 0.314 -0.229 18.65 HCl 1.261e-09 3.845e-08 -8.899 -7.415 1.484 (0) -H(0) 3.154e-19 - H2 1.577e-19 3.520e-19 -18.802 -18.453 0.349 28.63 +H(0) 2.495e-17 + H2 1.248e-17 2.785e-17 -16.904 -16.555 0.349 28.63 Na 3.487e+00 Na+ 3.487e+00 3.657e+00 0.542 0.563 0.021 -0.21 - NaOH 5.624e-18 1.255e-17 -17.250 -16.901 0.349 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.850 -62.501 0.349 28.29 + O2 0.000e+00 0.000e+00 -66.647 -66.298 0.349 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -15.42 -18.45 -3.03 H2 + H2(g) -13.52 -16.56 -3.03 H2 H2O(g) -2.11 -0.05 2.06 H2O Halite -0.68 0.88 1.55 NaCl - O2(g) -59.79 -62.50 -2.71 O2 + O2(g) -63.58 -66.30 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3654,7 +3610,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.321 Charge balance - pe = 11.844 Adjusted to redox equilibrium + pe = 11.263 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 140657 Density (g/cm³) = 1.14575 Volume (L) = 1.07400 @@ -3662,11 +3618,11 @@ Reaction 1. Activity of water = 0.866 Ionic strength (mol/kgw) = 3.945e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.318e-16 + Total alkalinity (eq/kg) = 3.160e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = 4.585e-13 + Electrical balance (eq) = 9.719e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3682,21 +3638,20 @@ Cl 3.945e+00 Cl- 3.945e+00 2.343e+00 0.596 0.370 -0.226 18.78 HCl 9.149e-10 4.367e-08 -9.039 -7.360 1.679 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.780 -41.386 0.394 28.63 + H2 0.000e+00 0.000e+00 -40.620 -40.225 0.394 28.63 Na 3.945e+00 Na+ 3.945e+00 4.462e+00 0.596 0.650 0.054 -0.03 - NaOH 6.075e-18 1.507e-17 -17.216 -16.822 0.394 (0) -O(0) 1.798e-17 - O2 8.990e-18 2.230e-17 -17.046 -16.652 0.394 28.29 +O(0) 8.571e-20 + O2 4.285e-20 1.063e-19 -19.368 -18.974 0.394 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -38.35 -41.39 -3.03 H2 + H2(g) -37.19 -40.23 -3.03 H2 H2O(g) -2.12 -0.06 2.06 H2O Halite -0.53 1.02 1.55 NaCl - O2(g) -13.94 -16.65 -2.71 O2 + O2(g) -16.26 -18.97 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3732,7 +3687,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.322 Charge balance - pe = 12.089 Adjusted to redox equilibrium + pe = -0.654 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 147892 Density (g/cm³) = 1.16138 Volume (L) = 1.08484 @@ -3740,11 +3695,11 @@ Reaction 1. Activity of water = 0.849 Ionic strength (mol/kgw) = 4.447e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.611e-16 + Total alkalinity (eq/kg) = -3.383e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = 7.888e-10 + Electrical balance (eq) = 4.439e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 + Iterations = 46 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3759,22 +3714,21 @@ Reaction 1. Cl 4.447e+00 Cl- 4.447e+00 2.661e+00 0.648 0.425 -0.223 18.91 HCl 6.333e-10 4.947e-08 -9.198 -7.306 1.893 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.324 -41.879 0.445 28.63 +H(0) 2.906e-17 + H2 1.453e-17 4.045e-17 -16.838 -16.393 0.445 28.63 Na 4.447e+00 Na+ 4.447e+00 5.476e+00 0.648 0.738 0.090 0.16 - NaOH 6.529e-18 1.818e-17 -17.185 -16.740 0.445 (0) -O(0) 1.493e-16 - O2 7.465e-17 2.079e-16 -16.127 -15.682 0.445 28.29 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -67.100 -66.655 0.445 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -38.84 -41.88 -3.03 H2 + H2(g) -13.36 -16.39 -3.03 H2 H2O(g) -2.13 -0.07 2.06 H2O Halite -0.39 1.16 1.55 NaCl - O2(g) -12.97 -15.68 -2.71 O2 + O2(g) -63.94 -66.65 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3810,7 +3764,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.324 Charge balance - pe = 11.569 Adjusted to redox equilibrium + pe = -0.858 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 153237 Density (g/cm³) = 1.17586 Volume (L) = 1.09549 @@ -3818,11 +3772,11 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.221e-18 + Total alkalinity (eq/kg) = -1.073e-17 Temperature (°C) = 5.00 - Electrical balance (eq) = 5.948e-11 + Electrical balance (eq) = 1.338e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 47 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3837,22 +3791,21 @@ Reaction 1. Cl 4.930e+00 Cl- 4.930e+00 2.977e+00 0.693 0.474 -0.219 19.03 HCl 4.393e-10 5.510e-08 -9.357 -7.259 2.098 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.335 -40.842 0.493 28.63 +H(0) 6.600e-17 + H2 3.300e-17 1.027e-16 -16.482 -15.988 0.493 28.63 Na 4.930e+00 Na+ 4.930e+00 6.594e+00 0.693 0.819 0.126 0.33 - NaOH 6.928e-18 2.156e-17 -17.159 -16.666 0.493 (0) -O(0) 1.082e-18 - O2 5.408e-19 1.683e-18 -18.267 -17.774 0.493 28.29 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -67.974 -67.481 0.493 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -37.81 -40.84 -3.03 H2 + H2(g) -12.95 -15.99 -3.03 H2 H2O(g) -2.14 -0.08 2.06 H2O Halite -0.26 1.29 1.55 NaCl - O2(g) -15.06 -17.77 -2.71 O2 + O2(g) -64.77 -67.48 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3888,7 +3841,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.326 Charge balance - pe = -1.276 Adjusted to redox equilibrium + pe = -1.280 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 157003 Density (g/cm³) = 1.18905 Volume (L) = 1.10573 @@ -3896,11 +3849,11 @@ Reaction 1. Activity of water = 0.817 Ionic strength (mol/kgw) = 5.386e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.020e-16 + Total alkalinity (eq/kg) = -1.685e-16 Temperature (°C) = 5.00 - Electrical balance (eq) = -4.335e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Electrical balance (eq) = 8.890e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3915,22 +3868,21 @@ Reaction 1. Cl 5.386e+00 Cl- 5.386e+00 3.283e+00 0.731 0.516 -0.215 19.15 HCl 3.085e-10 6.046e-08 -9.511 -7.219 2.292 (0) -H(0) 4.032e-16 - H2 2.016e-16 6.968e-16 -15.695 -15.157 0.539 28.63 +H(0) 4.105e-16 + H2 2.053e-16 7.094e-16 -15.688 -15.149 0.539 28.63 Na 5.386e+00 Na+ 5.386e+00 7.795e+00 0.731 0.892 0.161 0.48 - NaOH 7.272e-18 2.513e-17 -17.138 -16.600 0.539 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.699 -69.161 0.539 28.29 + O2 0.000e+00 0.000e+00 -69.715 -69.176 0.539 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -12.12 -15.16 -3.03 H2 + H2(g) -12.11 -15.15 -3.03 H2 H2O(g) -2.15 -0.09 2.06 H2O Halite -0.14 1.41 1.55 NaCl - O2(g) -66.45 -69.16 -2.71 O2 + O2(g) -66.46 -69.18 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3966,7 +3918,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.329 Charge balance - pe = -1.113 Adjusted to redox equilibrium + pe = 12.512 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 160186 Density (g/cm³) = 1.20481 Volume (L) = 1.11871 @@ -3974,11 +3926,11 @@ Reaction 1. Activity of water = 0.798 Ionic strength (mol/kgw) = 5.952e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.124e-16 + Total alkalinity (eq/kg) = 9.992e-18 Temperature (°C) = 5.00 - Electrical balance (eq) = 9.756e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 47 + Electrical balance (eq) = -5.392e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3993,22 +3945,21 @@ Reaction 1. Cl 5.952e+00 Cl- 5.952e+00 3.674e+00 0.775 0.565 -0.209 19.28 HCl 1.969e-10 6.719e-08 -9.706 -7.173 2.533 (0) -H(0) 1.649e-16 - H2 8.246e-17 3.247e-16 -16.084 -15.489 0.595 28.63 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.335 -42.739 0.595 28.63 Na 5.952e+00 Na+ 5.952e+00 9.511e+00 0.775 0.978 0.204 0.66 - NaOH 7.661e-18 3.016e-17 -17.116 -16.521 0.595 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.113 -68.518 0.595 28.29 +O(0) 4.894e-15 + O2 2.447e-15 9.634e-15 -14.611 -14.016 0.595 28.29 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -12.45 -15.49 -3.03 H2 + H2(g) -39.70 -42.74 -3.03 H2 H2O(g) -2.16 -0.10 2.06 H2O Halite -0.01 1.54 1.55 NaCl - O2(g) -65.80 -68.52 -2.71 O2 + O2(g) -11.30 -14.02 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4148,7 +4099,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.140 Adjusted to redox equilibrium + pe = -0.143 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5757 Density (g/cm³) = 0.99920 Volume (L) = 1.00386 @@ -4156,9 +4107,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.224e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.756e-17 + Total alkalinity (eq/kg) = 2.783e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.155e-17 + Electrical balance (eq) = -4.966e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4175,22 +4126,21 @@ Reaction 1. Cl 5.224e-02 Cl- 5.224e-02 4.239e-02 -1.282 -1.373 -0.091 18.26 HCl 1.423e-09 1.498e-09 -8.847 -8.824 0.022 (0) -H(0) 2.802e-17 - H2 1.401e-17 1.418e-17 -16.854 -16.848 0.005 28.61 +H(0) 2.847e-17 + H2 1.423e-17 1.441e-17 -16.847 -16.841 0.005 28.61 Na 5.224e-02 Na+ 5.224e-02 4.296e-02 -1.282 -1.367 -0.085 -1.20 - NaOH 4.181e-19 4.231e-19 -18.379 -18.374 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.690 -58.685 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.704 -58.699 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.31 -2.74 1.57 NaCl - O2(g) -55.79 -58.68 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4226,7 +4176,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.146 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5784 Density (g/cm³) = 0.99921 Volume (L) = 1.00386 @@ -4234,9 +4184,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.250e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.146e-17 + Total alkalinity (eq/kg) = 2.849e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.141e-17 + Electrical balance (eq) = -4.013e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4253,22 +4203,21 @@ Reaction 1. Cl 5.250e-02 Cl- 5.250e-02 4.259e-02 -1.280 -1.371 -0.091 18.26 HCl 1.429e-09 1.505e-09 -8.845 -8.822 0.022 (0) -H(0) 3.153e-17 - H2 1.576e-17 1.596e-17 -16.802 -16.797 0.005 28.61 +H(0) 2.878e-17 + H2 1.439e-17 1.457e-17 -16.842 -16.837 0.005 28.61 Na 5.250e-02 Na+ 5.250e-02 4.316e-02 -1.280 -1.365 -0.085 -1.20 - NaOH 4.199e-19 4.251e-19 -18.377 -18.372 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.793 -58.787 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.713 -58.708 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.31 -2.74 1.57 NaCl - O2(g) -55.89 -58.79 -2.89 O2 + O2(g) -55.82 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4304,7 +4253,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.144 Adjusted to redox equilibrium + pe = -0.127 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6315 Density (g/cm³) = 0.99942 Volume (L) = 1.00395 @@ -4312,9 +4261,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.760e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.812e-17 + Total alkalinity (eq/kg) = 2.641e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.998e-17 + Electrical balance (eq) = -2.935e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4331,22 +4280,21 @@ Reaction 1. Cl 5.760e-02 Cl- 5.760e-02 4.637e-02 -1.240 -1.334 -0.094 18.27 HCl 1.551e-09 1.641e-09 -8.810 -8.785 0.025 (0) -H(0) 2.856e-17 - H2 1.428e-17 1.447e-17 -16.845 -16.840 0.006 28.61 +H(0) 2.645e-17 + H2 1.323e-17 1.340e-17 -16.879 -16.873 0.006 28.61 Na 5.760e-02 Na+ 5.760e-02 4.705e-02 -1.240 -1.327 -0.088 -1.19 - NaOH 4.566e-19 4.627e-19 -18.340 -18.335 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.708 -58.703 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.642 -58.636 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.74 -16.84 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.23 -2.66 1.57 NaCl - O2(g) -55.81 -58.70 -2.89 O2 + O2(g) -55.74 -58.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4382,7 +4330,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.173 Adjusted to redox equilibrium + pe = -0.178 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6377 Density (g/cm³) = 0.99944 Volume (L) = 1.00396 @@ -4390,9 +4338,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.820e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.272e-17 + Total alkalinity (eq/kg) = 3.347e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.971e-17 + Electrical balance (eq) = -6.031e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4409,22 +4357,21 @@ Reaction 1. Cl 5.820e-02 Cl- 5.820e-02 4.681e-02 -1.235 -1.330 -0.095 18.27 HCl 1.565e-09 1.656e-09 -8.806 -8.781 0.025 (0) -H(0) 3.276e-17 - H2 1.638e-17 1.660e-17 -16.786 -16.780 0.006 28.61 +H(0) 3.353e-17 + H2 1.676e-17 1.699e-17 -16.776 -16.770 0.006 28.61 Na 5.820e-02 Na+ 5.820e-02 4.750e-02 -1.235 -1.323 -0.088 -1.19 - NaOH 4.609e-19 4.671e-19 -18.336 -18.331 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.828 -58.822 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.848 -58.842 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.68 -16.78 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.22 -2.65 1.57 NaCl - O2(g) -55.93 -58.82 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4460,7 +4407,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.155 Adjusted to redox equilibrium + pe = -0.162 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6746 Density (g/cm³) = 0.99959 Volume (L) = 1.00402 @@ -4468,9 +4415,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.177e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.017e-17 + Total alkalinity (eq/kg) = 3.103e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.132e-17 + Electrical balance (eq) = -5.199e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4487,22 +4434,21 @@ Reaction 1. Cl 6.177e-02 Cl- 6.177e-02 4.944e-02 -1.209 -1.306 -0.097 18.28 HCl 1.648e-09 1.751e-09 -8.783 -8.757 0.026 (0) -H(0) 3.019e-17 - H2 1.509e-17 1.531e-17 -16.821 -16.815 0.006 28.61 +H(0) 3.106e-17 + H2 1.553e-17 1.575e-17 -16.809 -16.803 0.006 28.61 Na 6.177e-02 Na+ 6.177e-02 5.021e-02 -1.209 -1.299 -0.090 -1.18 - NaOH 4.863e-19 4.933e-19 -18.313 -18.307 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.758 -58.752 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.783 -58.777 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.82 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.18 -2.61 1.57 NaCl - O2(g) -55.86 -58.75 -2.89 O2 + O2(g) -55.88 -58.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4538,7 +4484,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.169 Adjusted to redox equilibrium + pe = -0.196 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6893 Density (g/cm³) = 0.99965 Volume (L) = 1.00405 @@ -4546,9 +4492,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.320e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.218e-17 + Total alkalinity (eq/kg) = 3.629e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.300e-17 + Electrical balance (eq) = -3.530e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4565,22 +4511,21 @@ Reaction 1. Cl 6.320e-02 Cl- 6.320e-02 5.048e-02 -1.199 -1.297 -0.098 18.28 HCl 1.681e-09 1.788e-09 -8.774 -8.748 0.027 (0) -H(0) 3.220e-17 - H2 1.610e-17 1.633e-17 -16.793 -16.787 0.006 28.61 +H(0) 3.642e-17 + H2 1.821e-17 1.848e-17 -16.740 -16.733 0.006 28.61 Na 6.320e-02 Na+ 6.320e-02 5.129e-02 -1.199 -1.290 -0.091 -1.17 - NaOH 4.964e-19 5.037e-19 -18.304 -18.298 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.814 -58.808 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.921 -58.915 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.63 -16.73 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.16 -2.59 1.57 NaCl - O2(g) -55.92 -58.81 -2.89 O2 + O2(g) -56.02 -58.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4616,7 +4561,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.163 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7244 Density (g/cm³) = 0.99979 Volume (L) = 1.00411 @@ -4624,9 +4569,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.662e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.127e-17 + Total alkalinity (eq/kg) = 3.229e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.635e-17 + Electrical balance (eq) = -4.712e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4643,22 +4588,21 @@ Reaction 1. Cl 6.662e-02 Cl- 6.662e-02 5.298e-02 -1.176 -1.276 -0.100 18.29 HCl 1.759e-09 1.878e-09 -8.755 -8.726 0.028 (0) -H(0) 3.130e-17 - H2 1.565e-17 1.589e-17 -16.805 -16.799 0.007 28.61 +H(0) 3.231e-17 + H2 1.615e-17 1.640e-17 -16.792 -16.785 0.007 28.61 Na 6.662e-02 Na+ 6.662e-02 5.386e-02 -1.176 -1.269 -0.092 -1.17 - NaOH 5.205e-19 5.285e-19 -18.284 -18.277 0.007 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.791 -58.784 0.007 30.40 + O2 0.000e+00 0.000e+00 -58.818 -58.812 0.007 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.68 -16.79 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.11 -2.54 1.57 NaCl - O2(g) -55.89 -58.78 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4694,7 +4638,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.987 Charge balance - pe = -0.208 Adjusted to redox equilibrium + pe = -0.222 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8302 Density (g/cm³) = 1.00021 Volume (L) = 1.00429 @@ -4702,9 +4646,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 7.699e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.584e-17 + Total alkalinity (eq/kg) = 4.025e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.062e-17 + Electrical balance (eq) = -9.700e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4721,22 +4665,21 @@ Reaction 1. Cl 7.699e-02 Cl- 7.699e-02 6.045e-02 -1.114 -1.219 -0.105 18.30 HCl 1.991e-09 2.147e-09 -8.701 -8.668 0.033 (0) -H(0) 3.863e-17 - H2 1.931e-17 1.966e-17 -16.714 -16.706 0.008 28.61 +H(0) 4.106e-17 + H2 2.053e-17 2.090e-17 -16.688 -16.680 0.008 28.61 Na 7.699e-02 Na+ 7.699e-02 6.160e-02 -1.114 -1.210 -0.097 -1.14 - NaOH 5.925e-19 6.030e-19 -18.227 -18.220 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.977 -58.969 0.008 30.40 + O2 0.000e+00 0.000e+00 -59.030 -59.023 0.008 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.58 -16.68 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.00 -2.43 1.57 NaCl - O2(g) -56.08 -58.97 -2.89 O2 + O2(g) -56.13 -59.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4772,7 +4715,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.986 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8546 Density (g/cm³) = 1.00031 Volume (L) = 1.00433 @@ -4780,9 +4723,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 7.940e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.137e-17 + Total alkalinity (eq/kg) = 3.244e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.518e-16 + Electrical balance (eq) = -1.526e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4799,22 +4742,21 @@ Reaction 1. Cl 7.940e-02 Cl- 7.940e-02 6.217e-02 -1.100 -1.206 -0.106 18.31 HCl 2.044e-09 2.210e-09 -8.689 -8.656 0.034 (0) -H(0) 3.162e-17 - H2 1.581e-17 1.610e-17 -16.801 -16.793 0.008 28.61 +H(0) 3.244e-17 + H2 1.622e-17 1.652e-17 -16.790 -16.782 0.008 28.61 Na 7.940e-02 Na+ 7.940e-02 6.339e-02 -1.100 -1.198 -0.098 -1.14 - NaOH 6.090e-19 6.202e-19 -18.215 -18.207 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.804 -58.796 0.008 30.40 + O2 0.000e+00 0.000e+00 -58.826 -58.818 0.008 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.97 -2.40 1.57 NaCl - O2(g) -55.90 -58.80 -2.89 O2 + O2(g) -55.93 -58.82 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4850,7 +4792,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.986 Charge balance - pe = -0.131 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8610 Density (g/cm³) = 1.00034 Volume (L) = 1.00434 @@ -4858,9 +4800,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 8.004e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.686e-17 + Total alkalinity (eq/kg) = 2.688e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.334e-16 + Electrical balance (eq) = -1.754e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4877,13 +4819,12 @@ Reaction 1. Cl 8.004e-02 Cl- 8.004e-02 6.263e-02 -1.097 -1.203 -0.107 18.31 HCl 2.058e-09 2.226e-09 -8.687 -8.652 0.034 (0) -H(0) 2.700e-17 - H2 1.350e-17 1.375e-17 -16.870 -16.862 0.008 28.61 +H(0) 2.688e-17 + H2 1.344e-17 1.369e-17 -16.872 -16.864 0.008 28.61 Na 8.004e-02 Na+ 8.004e-02 6.386e-02 -1.097 -1.195 -0.098 -1.13 - NaOH 6.134e-19 6.248e-19 -18.212 -18.204 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.667 -58.659 0.008 30.40 + O2 0.000e+00 0.000e+00 -58.663 -58.655 0.008 30.40 ------------------------------Saturation indices------------------------------- @@ -4892,7 +4833,7 @@ O(0) 0.000e+00 H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.97 -2.40 1.57 NaCl - O2(g) -55.77 -58.66 -2.89 O2 + O2(g) -55.76 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4928,7 +4869,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.225 Adjusted to redox equilibrium + pe = -0.131 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9942 Density (g/cm³) = 1.00088 Volume (L) = 1.00457 @@ -4936,9 +4877,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.330e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.916e-17 + Total alkalinity (eq/kg) = 2.603e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.060e-16 + Electrical balance (eq) = -1.361e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -4955,22 +4896,21 @@ Reaction 1. Cl 9.330e-02 Cl- 9.330e-02 7.199e-02 -1.030 -1.143 -0.113 18.33 HCl 2.341e-09 2.565e-09 -8.631 -8.591 0.040 (0) -H(0) 4.182e-17 - H2 2.091e-17 2.137e-17 -16.680 -16.670 0.009 28.61 +H(0) 2.704e-17 + H2 1.352e-17 1.381e-17 -16.869 -16.860 0.009 28.61 Na 9.330e-02 Na+ 9.330e-02 7.362e-02 -1.030 -1.133 -0.103 -1.11 - NaOH 7.029e-19 7.182e-19 -18.153 -18.144 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.052 -59.042 0.009 30.40 + O2 0.000e+00 0.000e+00 -58.673 -58.663 0.009 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.57 -16.67 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.85 -2.28 1.57 NaCl - O2(g) -56.15 -59.04 -2.89 O2 + O2(g) -55.77 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5006,7 +4946,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.218 Adjusted to redox equilibrium + pe = -0.143 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10096 Density (g/cm³) = 1.00094 Volume (L) = 1.00460 @@ -5014,9 +4954,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.485e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.031e-17 + Total alkalinity (eq/kg) = 2.837e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.380e-16 + Electrical balance (eq) = -3.740e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5033,22 +4973,21 @@ Reaction 1. Cl 9.485e-02 Cl- 9.485e-02 7.307e-02 -1.023 -1.136 -0.113 18.33 HCl 2.373e-09 2.604e-09 -8.625 -8.584 0.040 (0) -H(0) 4.052e-17 - H2 2.026e-17 2.071e-17 -16.693 -16.684 0.009 28.61 +H(0) 2.860e-17 + H2 1.430e-17 1.462e-17 -16.845 -16.835 0.009 28.61 Na 9.485e-02 Na+ 9.485e-02 7.475e-02 -1.023 -1.126 -0.103 -1.10 - NaOH 7.133e-19 7.290e-19 -18.147 -18.137 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.025 -59.015 0.009 30.40 + O2 0.000e+00 0.000e+00 -58.722 -58.712 0.009 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.73 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.83 -2.26 1.57 NaCl - O2(g) -56.12 -59.02 -2.89 O2 + O2(g) -55.82 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5084,7 +5023,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.145 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10470 Density (g/cm³) = 1.00109 Volume (L) = 1.00467 @@ -5092,9 +5031,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.860e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.764e-17 + Total alkalinity (eq/kg) = 2.680e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.178e-16 + Electrical balance (eq) = -4.623e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5111,22 +5050,21 @@ Reaction 1. Cl 9.860e-02 Cl- 9.860e-02 7.569e-02 -1.006 -1.121 -0.115 18.34 HCl 2.450e-09 2.699e-09 -8.611 -8.569 0.042 (0) -H(0) 2.897e-17 - H2 1.448e-17 1.482e-17 -16.839 -16.829 0.010 28.61 +H(0) 2.698e-17 + H2 1.349e-17 1.380e-17 -16.870 -16.860 0.010 28.61 Na 9.860e-02 Na+ 9.860e-02 7.749e-02 -1.006 -1.111 -0.105 -1.09 - NaOH 7.382e-19 7.552e-19 -18.132 -18.122 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.734 -58.724 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.672 -58.663 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.80 -2.23 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.77 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5162,7 +5100,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.145 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10554 Density (g/cm³) = 1.00113 Volume (L) = 1.00468 @@ -5170,9 +5108,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.945e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.437e-17 + Total alkalinity (eq/kg) = 3.073e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.607e-17 + Electrical balance (eq) = -5.576e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5189,22 +5127,21 @@ Reaction 1. Cl 9.945e-02 Cl- 9.945e-02 7.628e-02 -1.002 -1.118 -0.115 18.34 HCl 2.468e-09 2.720e-09 -8.608 -8.565 0.042 (0) -H(0) 2.893e-17 - H2 1.447e-17 1.480e-17 -16.840 -16.830 0.010 28.61 +H(0) 3.117e-17 + H2 1.559e-17 1.595e-17 -16.807 -16.797 0.010 28.61 Na 9.945e-02 Na+ 9.945e-02 7.811e-02 -1.002 -1.107 -0.105 -1.09 - NaOH 7.438e-19 7.611e-19 -18.129 -18.119 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.733 -58.724 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.798 -58.788 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.90 -58.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5240,7 +5177,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.137 Adjusted to redox equilibrium + pe = -0.114 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10579 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -5248,9 +5185,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.970e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.755e-17 + Total alkalinity (eq/kg) = 2.501e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.408e-16 + Electrical balance (eq) = -4.816e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5267,22 +5204,21 @@ Reaction 1. Cl 9.970e-02 Cl- 9.970e-02 7.645e-02 -1.001 -1.117 -0.115 18.34 HCl 2.473e-09 2.727e-09 -8.607 -8.564 0.042 (0) -H(0) 2.784e-17 - H2 1.392e-17 1.424e-17 -16.856 -16.846 0.010 28.61 +H(0) 2.512e-17 + H2 1.256e-17 1.285e-17 -16.901 -16.891 0.010 28.61 Na 9.970e-02 Na+ 9.970e-02 7.829e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.455e-19 7.628e-19 -18.128 -18.118 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.700 -58.690 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.611 -58.601 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.79 -16.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.80 -58.69 -2.89 O2 + O2(g) -55.71 -58.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5318,7 +5254,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.169 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10598 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -5326,9 +5262,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.989e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.198e-17 + Total alkalinity (eq/kg) = 3.082e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.699e-16 + Electrical balance (eq) = -5.697e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5345,22 +5281,21 @@ Reaction 1. Cl 9.989e-02 Cl- 9.989e-02 7.659e-02 -1.000 -1.116 -0.115 18.34 HCl 2.477e-09 2.732e-09 -8.606 -8.564 0.043 (0) -H(0) 3.234e-17 - H2 1.617e-17 1.655e-17 -16.791 -16.781 0.010 28.61 +H(0) 3.119e-17 + H2 1.559e-17 1.596e-17 -16.807 -16.797 0.010 28.61 Na 9.989e-02 Na+ 9.989e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09 - NaOH 7.467e-19 7.641e-19 -18.127 -18.117 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.830 -58.820 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.799 -58.789 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.68 -16.78 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.93 -58.82 -2.89 O2 + O2(g) -55.90 -58.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5396,7 +5331,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.221 Adjusted to redox equilibrium + pe = -0.181 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10599 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -5404,9 +5339,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.990e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.067e-17 + Total alkalinity (eq/kg) = 3.416e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.298e-16 + Electrical balance (eq) = -5.714e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5423,22 +5358,21 @@ Reaction 1. Cl 9.990e-02 Cl- 9.990e-02 7.659e-02 -1.000 -1.116 -0.115 18.34 HCl 2.477e-09 2.732e-09 -8.606 -8.564 0.043 (0) -H(0) 4.100e-17 - H2 2.050e-17 2.098e-17 -16.688 -16.678 0.010 28.61 +H(0) 3.417e-17 + H2 1.708e-17 1.748e-17 -16.767 -16.757 0.010 28.61 Na 9.990e-02 Na+ 9.990e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.468e-19 7.642e-19 -18.127 -18.117 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.037 -59.027 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.868 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.13 -59.03 -2.89 O2 + O2(g) -55.98 -58.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5474,7 +5408,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -5482,9 +5416,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5501,22 +5435,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5552,7 +5485,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -5560,9 +5493,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5579,22 +5512,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5630,7 +5562,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -5638,9 +5570,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5657,22 +5589,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5708,7 +5639,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -5716,9 +5647,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5735,22 +5666,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5786,7 +5716,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.109 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10628 Density (g/cm³) = 1.00116 Volume (L) = 1.00469 @@ -5794,9 +5724,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.002e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.176e-17 + Total alkalinity (eq/kg) = 3.234e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.970e-16 + Electrical balance (eq) = -5.611e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5813,22 +5743,21 @@ Reaction 1. Cl 1.002e-01 Cl- 1.002e-01 7.680e-02 -0.999 -1.115 -0.116 18.34 HCl 2.483e-09 2.739e-09 -8.605 -8.562 0.043 (0) -H(0) 2.445e-17 - H2 1.222e-17 1.251e-17 -16.913 -16.903 0.010 28.61 +H(0) 3.241e-17 + H2 1.620e-17 1.658e-17 -16.790 -16.780 0.010 28.61 Na 1.002e-01 Na+ 1.002e-01 7.866e-02 -0.999 -1.104 -0.105 -1.09 - NaOH 7.488e-19 7.663e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.587 -58.577 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.832 -58.822 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.69 -58.58 -2.89 O2 + O2(g) -55.93 -58.82 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5864,7 +5793,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10647 Density (g/cm³) = 1.00116 Volume (L) = 1.00470 @@ -5872,9 +5801,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.004e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.529e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.747e-16 + Electrical balance (eq) = -2.344e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5891,22 +5820,21 @@ Reaction 1. Cl 1.004e-01 Cl- 1.004e-01 7.693e-02 -0.998 -1.114 -0.116 18.34 HCl 2.487e-09 2.744e-09 -8.604 -8.562 0.043 (0) -H(0) 3.580e-17 - H2 1.790e-17 1.832e-17 -16.747 -16.737 0.010 28.61 +H(0) 3.311e-17 + H2 1.656e-17 1.694e-17 -16.781 -16.771 0.010 28.61 Na 1.004e-01 Na+ 1.004e-01 7.879e-02 -0.998 -1.104 -0.105 -1.09 - NaOH 7.501e-19 7.676e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.919 -58.909 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.851 -58.841 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.74 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.02 -58.91 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5942,7 +5870,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10647 Density (g/cm³) = 1.00116 Volume (L) = 1.00470 @@ -5950,9 +5878,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.004e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.529e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.747e-16 + Electrical balance (eq) = -2.344e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -5969,22 +5897,21 @@ Reaction 1. Cl 1.004e-01 Cl- 1.004e-01 7.693e-02 -0.998 -1.114 -0.116 18.34 HCl 2.487e-09 2.744e-09 -8.604 -8.562 0.043 (0) -H(0) 3.580e-17 - H2 1.790e-17 1.832e-17 -16.747 -16.737 0.010 28.61 +H(0) 3.311e-17 + H2 1.656e-17 1.694e-17 -16.781 -16.771 0.010 28.61 Na 1.004e-01 Na+ 1.004e-01 7.879e-02 -0.998 -1.104 -0.105 -1.09 - NaOH 7.501e-19 7.676e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.919 -58.909 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.851 -58.841 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.74 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.02 -58.91 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6020,7 +5947,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.111 Adjusted to redox equilibrium + pe = -0.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10698 Density (g/cm³) = 1.00119 Volume (L) = 1.00471 @@ -6028,9 +5955,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.009e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.096e-17 + Total alkalinity (eq/kg) = 3.098e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.793e-16 + Electrical balance (eq) = -5.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6047,22 +5974,21 @@ Reaction 1. Cl 1.009e-01 Cl- 1.009e-01 7.729e-02 -0.996 -1.112 -0.116 18.34 HCl 2.497e-09 2.757e-09 -8.603 -8.560 0.043 (0) -H(0) 2.472e-17 - H2 1.236e-17 1.265e-17 -16.908 -16.898 0.010 28.61 +H(0) 3.101e-17 + H2 1.550e-17 1.587e-17 -16.810 -16.799 0.010 28.61 Na 1.009e-01 Na+ 1.009e-01 7.916e-02 -0.996 -1.101 -0.105 -1.09 - NaOH 7.534e-19 7.711e-19 -18.123 -18.113 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.597 -58.587 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.794 -58.784 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.78 -2.21 1.57 NaCl - O2(g) -55.69 -58.59 -2.89 O2 + O2(g) -55.89 -58.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6098,7 +6024,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.144 Adjusted to redox equilibrium + pe = -0.135 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10954 Density (g/cm³) = 1.00129 Volume (L) = 1.00475 @@ -6106,9 +6032,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.035e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.745e-17 + Total alkalinity (eq/kg) = 2.717e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.631e-16 + Electrical balance (eq) = -7.160e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6125,22 +6051,21 @@ Reaction 1. Cl 1.035e-01 Cl- 1.035e-01 7.908e-02 -0.985 -1.102 -0.117 18.34 HCl 2.550e-09 2.822e-09 -8.593 -8.549 0.044 (0) -H(0) 2.885e-17 - H2 1.442e-17 1.477e-17 -16.841 -16.831 0.010 28.61 +H(0) 2.758e-17 + H2 1.379e-17 1.412e-17 -16.860 -16.850 0.010 28.61 Na 1.035e-01 Na+ 1.035e-01 8.105e-02 -0.985 -1.091 -0.106 -1.09 - NaOH 7.705e-19 7.891e-19 -18.113 -18.103 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.732 -58.722 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.693 -58.683 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.76 -2.19 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.79 -58.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6176,7 +6101,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.179 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11689 Density (g/cm³) = 1.00159 Volume (L) = 1.00488 @@ -6184,9 +6109,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.109e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.364e-17 + Total alkalinity (eq/kg) = 4.011e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.005e-15 + Electrical balance (eq) = -1.064e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6203,22 +6128,21 @@ Reaction 1. Cl 1.109e-01 Cl- 1.109e-01 8.421e-02 -0.955 -1.075 -0.120 18.35 HCl 2.699e-09 3.009e-09 -8.569 -8.522 0.047 (0) -H(0) 3.386e-17 - H2 1.693e-17 1.737e-17 -16.771 -16.760 0.011 28.61 +H(0) 4.613e-17 + H2 2.306e-17 2.366e-17 -16.637 -16.626 0.011 28.61 Na 1.109e-01 Na+ 1.109e-01 8.644e-02 -0.955 -1.063 -0.108 -1.07 - NaOH 8.192e-19 8.404e-19 -18.087 -18.075 0.011 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.874 -58.863 0.011 30.40 + O2 0.000e+00 0.000e+00 -59.142 -59.131 0.011 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.52 -16.63 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.71 -2.14 1.57 NaCl - O2(g) -55.97 -58.86 -2.89 O2 + O2(g) -56.24 -59.13 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6254,7 +6178,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.211 Adjusted to redox equilibrium + pe = -0.140 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11832 Density (g/cm³) = 1.00165 Volume (L) = 1.00491 @@ -6262,9 +6186,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.124e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.797e-17 + Total alkalinity (eq/kg) = 2.711e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.146e-15 + Electrical balance (eq) = -1.266e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6281,22 +6205,21 @@ Reaction 1. Cl 1.124e-01 Cl- 1.124e-01 8.522e-02 -0.949 -1.069 -0.120 18.36 HCl 2.728e-09 3.045e-09 -8.564 -8.516 0.048 (0) -H(0) 3.915e-17 - H2 1.957e-17 2.009e-17 -16.708 -16.697 0.011 28.61 +H(0) 2.825e-17 + H2 1.413e-17 1.450e-17 -16.850 -16.839 0.011 28.61 Na 1.124e-01 Na+ 1.124e-01 8.750e-02 -0.949 -1.058 -0.109 -1.07 - NaOH 8.287e-19 8.505e-19 -18.082 -18.070 0.011 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.000 -58.989 0.011 30.40 + O2 0.000e+00 0.000e+00 -58.717 -58.706 0.011 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.70 -2.13 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.81 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6332,7 +6255,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.198 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12553 Density (g/cm³) = 1.00195 Volume (L) = 1.00504 @@ -6340,9 +6263,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.198e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.632e-17 + Total alkalinity (eq/kg) = 2.665e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.261e-15 + Electrical balance (eq) = -1.548e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6359,22 +6282,21 @@ Reaction 1. Cl 1.198e-01 Cl- 1.198e-01 9.024e-02 -0.922 -1.045 -0.123 18.37 HCl 2.871e-09 3.228e-09 -8.542 -8.491 0.051 (0) -H(0) 3.693e-17 - H2 1.847e-17 1.898e-17 -16.734 -16.722 0.012 28.61 +H(0) 2.697e-17 + H2 1.349e-17 1.386e-17 -16.870 -16.858 0.012 28.61 Na 1.198e-01 Na+ 1.198e-01 9.280e-02 -0.922 -1.032 -0.111 -1.05 - NaOH 8.763e-19 9.008e-19 -18.057 -18.045 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.952 -58.940 0.012 30.40 + O2 0.000e+00 0.000e+00 -58.679 -58.667 0.012 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.65 -2.08 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -55.77 -58.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6410,7 +6332,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.135 Adjusted to redox equilibrium + pe = -0.152 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12651 Density (g/cm³) = 1.00199 Volume (L) = 1.00506 @@ -6418,9 +6340,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.208e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.760e-17 + Total alkalinity (eq/kg) = 2.872e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.510e-15 + Electrical balance (eq) = -1.746e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6437,22 +6359,21 @@ Reaction 1. Cl 1.208e-01 Cl- 1.208e-01 9.092e-02 -0.918 -1.041 -0.123 18.37 HCl 2.890e-09 3.253e-09 -8.539 -8.488 0.051 (0) -H(0) 2.761e-17 - H2 1.381e-17 1.419e-17 -16.860 -16.848 0.012 28.61 +H(0) 2.995e-17 + H2 1.498e-17 1.540e-17 -16.825 -16.813 0.012 28.61 Na 1.208e-01 Na+ 1.208e-01 9.352e-02 -0.918 -1.029 -0.111 -1.05 - NaOH 8.827e-19 9.076e-19 -18.054 -18.042 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.700 -58.688 0.012 30.40 + O2 0.000e+00 0.000e+00 -58.771 -58.758 0.012 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.64 -2.07 1.57 NaCl - O2(g) -55.80 -58.69 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6488,7 +6409,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.083 Adjusted to redox equilibrium + pe = -0.124 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14676 Density (g/cm³) = 1.00284 Volume (L) = 1.00543 @@ -6496,9 +6417,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.417e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.419e-17 + Total alkalinity (eq/kg) = 1.803e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.824e-15 + Electrical balance (eq) = -2.384e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6515,22 +6436,21 @@ Reaction 1. Cl 1.417e-01 Cl- 1.417e-01 1.050e-01 -0.849 -0.979 -0.130 18.39 HCl 3.279e-09 3.767e-09 -8.484 -8.424 0.060 (0) -H(0) 2.182e-17 - H2 1.091e-17 1.127e-17 -16.962 -16.948 0.014 28.61 +H(0) 2.627e-17 + H2 1.314e-17 1.357e-17 -16.882 -16.867 0.014 28.61 Na 1.417e-01 Na+ 1.417e-01 1.085e-01 -0.849 -0.965 -0.116 -1.02 - NaOH 1.015e-18 1.049e-18 -17.993 -17.979 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.502 -58.488 0.014 30.40 + O2 0.000e+00 0.000e+00 -58.664 -58.650 0.014 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.85 -16.95 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.51 -1.94 1.57 NaCl - O2(g) -55.60 -58.49 -2.89 O2 + O2(g) -55.76 -58.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6566,7 +6486,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.071 Adjusted to redox equilibrium + pe = -0.150 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14851 Density (g/cm³) = 1.00291 Volume (L) = 1.00546 @@ -6574,9 +6494,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.435e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.962e-17 + Total alkalinity (eq/kg) = 2.485e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.556e-15 + Electrical balance (eq) = -5.586e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6593,22 +6513,21 @@ Reaction 1. Cl 1.435e-01 Cl- 1.435e-01 1.062e-01 -0.843 -0.974 -0.131 18.40 HCl 3.312e-09 3.812e-09 -8.480 -8.419 0.061 (0) -H(0) 2.063e-17 - H2 1.031e-17 1.066e-17 -16.987 -16.972 0.014 28.61 +H(0) 2.968e-17 + H2 1.484e-17 1.534e-17 -16.829 -16.814 0.014 28.61 Na 1.435e-01 Na+ 1.435e-01 1.098e-01 -0.843 -0.960 -0.116 -1.01 - NaOH 1.027e-18 1.061e-18 -17.989 -17.974 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.454 -58.440 0.014 30.40 + O2 0.000e+00 0.000e+00 -58.770 -58.756 0.014 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.87 -16.97 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.50 -1.93 1.57 NaCl - O2(g) -55.55 -58.44 -2.89 O2 + O2(g) -55.86 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6644,7 +6563,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.247 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15340 Density (g/cm³) = 1.00312 Volume (L) = 1.00555 @@ -6652,9 +6571,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.486e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.361e-17 + Total alkalinity (eq/kg) = 4.638e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.690e-15 + Electrical balance (eq) = -7.219e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6671,22 +6590,21 @@ Reaction 1. Cl 1.486e-01 Cl- 1.486e-01 1.096e-01 -0.828 -0.960 -0.132 18.40 HCl 3.403e-09 3.936e-09 -8.468 -8.405 0.063 (0) -H(0) 4.535e-17 - H2 2.267e-17 2.346e-17 -16.644 -16.630 0.015 28.61 +H(0) 4.647e-17 + H2 2.323e-17 2.404e-17 -16.634 -16.619 0.015 28.61 Na 1.486e-01 Na+ 1.486e-01 1.134e-01 -0.828 -0.945 -0.117 -1.01 - NaOH 1.059e-18 1.095e-18 -17.975 -17.960 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.140 -59.125 0.015 30.40 + O2 0.000e+00 0.000e+00 -59.161 -59.146 0.015 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.48 -1.91 1.57 NaCl - O2(g) -56.23 -59.13 -2.89 O2 + O2(g) -56.25 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6722,7 +6640,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.114 Adjusted to redox equilibrium + pe = -0.206 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15856 Density (g/cm³) = 1.00333 Volume (L) = 1.00565 @@ -6730,9 +6648,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.540e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.392e-17 + Total alkalinity (eq/kg) = 3.603e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.882e-15 + Electrical balance (eq) = -6.917e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6749,22 +6667,21 @@ Reaction 1. Cl 1.540e-01 Cl- 1.540e-01 1.132e-01 -0.812 -0.946 -0.134 18.41 HCl 3.497e-09 4.067e-09 -8.456 -8.391 0.066 (0) -H(0) 2.517e-17 - H2 1.259e-17 1.304e-17 -16.900 -16.885 0.015 28.61 +H(0) 3.832e-17 + H2 1.916e-17 1.985e-17 -16.718 -16.702 0.015 28.61 Na 1.540e-01 Na+ 1.540e-01 1.172e-01 -0.812 -0.931 -0.119 -1.00 - NaOH 1.092e-18 1.131e-18 -17.962 -17.946 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.615 0.015 30.40 + O2 0.000e+00 0.000e+00 -58.996 -58.980 0.015 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.45 -1.88 1.57 NaCl - O2(g) -55.72 -58.62 -2.89 O2 + O2(g) -56.09 -58.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6800,7 +6717,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.306 Adjusted to redox equilibrium + pe = -0.312 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15989 Density (g/cm³) = 1.00339 Volume (L) = 1.00567 @@ -6808,9 +6725,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.554e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.476e-17 + Total alkalinity (eq/kg) = 3.527e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.264e-15 + Electrical balance (eq) = -9.320e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6827,22 +6744,21 @@ Reaction 1. Cl 1.554e-01 Cl- 1.554e-01 1.141e-01 -0.809 -0.943 -0.134 18.41 HCl 3.522e-09 4.101e-09 -8.453 -8.387 0.066 (0) -H(0) 6.091e-17 - H2 3.046e-17 3.157e-17 -16.516 -16.501 0.016 28.61 +H(0) 6.262e-17 + H2 3.131e-17 3.245e-17 -16.504 -16.489 0.016 28.61 Na 1.554e-01 Na+ 1.554e-01 1.182e-01 -0.809 -0.927 -0.119 -1.00 - NaOH 1.101e-18 1.141e-18 -17.958 -17.943 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.399 -59.383 0.016 30.40 + O2 0.000e+00 0.000e+00 -59.423 -59.407 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -13.39 -16.49 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.44 -1.87 1.57 NaCl - O2(g) -56.49 -59.38 -2.89 O2 + O2(g) -56.51 -59.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6878,7 +6794,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.089 Adjusted to redox equilibrium + pe = -0.136 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16641 Density (g/cm³) = 1.00367 Volume (L) = 1.00579 @@ -6886,9 +6802,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.623e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.235e-17 + Total alkalinity (eq/kg) = 2.285e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.104e-14 + Electrical balance (eq) = -1.190e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6905,22 +6821,21 @@ Reaction 1. Cl 1.623e-01 Cl- 1.623e-01 1.186e-01 -0.790 -0.926 -0.136 18.42 HCl 3.639e-09 4.266e-09 -8.439 -8.370 0.069 (0) -H(0) 2.240e-17 - H2 1.120e-17 1.162e-17 -16.951 -16.935 0.016 28.61 +H(0) 2.782e-17 + H2 1.391e-17 1.444e-17 -16.857 -16.840 0.016 28.61 Na 1.623e-01 Na+ 1.623e-01 1.231e-01 -0.790 -0.910 -0.120 -0.99 - NaOH 1.143e-18 1.186e-18 -17.942 -17.926 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.532 -58.516 0.016 30.40 + O2 0.000e+00 0.000e+00 -58.720 -58.704 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.83 -16.93 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.41 -1.84 1.57 NaCl - O2(g) -55.62 -58.52 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6956,7 +6871,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.098 Adjusted to redox equilibrium + pe = -0.163 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16882 Density (g/cm³) = 1.00377 Volume (L) = 1.00584 @@ -6964,9 +6879,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.648e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.272e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.313e-14 + Electrical balance (eq) = -1.078e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -6983,22 +6898,21 @@ Reaction 1. Cl 1.648e-01 Cl- 1.648e-01 1.203e-01 -0.783 -0.920 -0.137 18.42 HCl 3.682e-09 4.328e-09 -8.434 -8.364 0.070 (0) -H(0) 2.339e-17 - H2 1.170e-17 1.215e-17 -16.932 -16.915 0.016 28.61 +H(0) 3.156e-17 + H2 1.578e-17 1.639e-17 -16.802 -16.785 0.016 28.61 Na 1.648e-01 Na+ 1.648e-01 1.248e-01 -0.783 -0.904 -0.121 -0.98 - NaOH 1.158e-18 1.203e-18 -17.936 -17.920 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.570 -58.554 0.016 30.40 + O2 0.000e+00 0.000e+00 -58.830 -58.814 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.81 -16.92 -3.10 H2 + H2(g) -13.68 -16.79 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.39 -1.82 1.57 NaCl - O2(g) -55.66 -58.55 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7034,7 +6948,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.154 Adjusted to redox equilibrium + pe = -0.237 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16952 Density (g/cm³) = 1.00380 Volume (L) = 1.00585 @@ -7042,9 +6956,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.655e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.987e-17 + Total alkalinity (eq/kg) = 4.390e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.351e-14 + Electrical balance (eq) = -1.294e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7061,22 +6975,21 @@ Reaction 1. Cl 1.655e-01 Cl- 1.655e-01 1.208e-01 -0.781 -0.918 -0.137 18.42 HCl 3.695e-09 4.345e-09 -8.432 -8.362 0.070 (0) -H(0) 3.025e-17 - H2 1.512e-17 1.571e-17 -16.820 -16.804 0.017 28.61 +H(0) 4.425e-17 + H2 2.212e-17 2.298e-17 -16.655 -16.639 0.017 28.61 Na 1.655e-01 Na+ 1.655e-01 1.254e-01 -0.781 -0.902 -0.121 -0.98 - NaOH 1.163e-18 1.208e-18 -17.934 -17.918 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.794 -58.777 0.017 30.40 + O2 0.000e+00 0.000e+00 -59.124 -59.108 0.017 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.54 -16.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.39 -1.82 1.57 NaCl - O2(g) -55.88 -58.78 -2.89 O2 + O2(g) -56.22 -59.11 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7112,7 +7025,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.439 Adjusted to redox equilibrium + pe = -0.135 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 17704 Density (g/cm³) = 1.00412 Volume (L) = 1.00600 @@ -7120,9 +7033,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.735e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.586e-17 + Total alkalinity (eq/kg) = 2.749e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.266e-10 + Electrical balance (eq) = -1.850e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7139,22 +7052,21 @@ Reaction 1. Cl 1.735e-01 Cl- 1.735e-01 1.260e-01 -0.761 -0.900 -0.139 18.43 HCl 3.827e-09 4.537e-09 -8.417 -8.343 0.074 (0) -H(0) 1.123e-16 - H2 5.615e-17 5.844e-17 -16.251 -16.233 0.017 28.61 +H(0) 2.765e-17 + H2 1.383e-17 1.439e-17 -16.859 -16.842 0.017 28.61 Na 1.735e-01 Na+ 1.735e-01 1.310e-01 -0.761 -0.883 -0.122 -0.97 - NaOH 1.211e-18 1.261e-18 -17.917 -17.899 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.936 -59.919 0.017 30.40 + O2 0.000e+00 0.000e+00 -58.719 -58.701 0.017 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.13 -16.23 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.35 -1.78 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7190,7 +7102,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.183 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18024 Density (g/cm³) = 1.00426 Volume (L) = 1.00606 @@ -7198,9 +7110,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.769e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.637e-17 + Total alkalinity (eq/kg) = 3.104e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.151e-14 + Electrical balance (eq) = -1.738e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7217,22 +7129,21 @@ Reaction 1. Cl 1.769e-01 Cl- 1.769e-01 1.282e-01 -0.752 -0.892 -0.140 18.43 HCl 3.883e-09 4.618e-09 -8.411 -8.336 0.075 (0) -H(0) 3.449e-17 - H2 1.724e-17 1.796e-17 -16.763 -16.746 0.018 28.61 +H(0) 3.316e-17 + H2 1.658e-17 1.727e-17 -16.780 -16.763 0.018 28.61 Na 1.769e-01 Na+ 1.769e-01 1.334e-01 -0.752 -0.875 -0.123 -0.96 - NaOH 1.232e-18 1.283e-18 -17.909 -17.892 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.912 -58.894 0.018 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.860 0.018 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.75 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.34 -1.77 1.57 NaCl - O2(g) -56.00 -58.89 -2.89 O2 + O2(g) -55.97 -58.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7268,7 +7179,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.280 Adjusted to redox equilibrium + pe = -0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18167 Density (g/cm³) = 1.00432 Volume (L) = 1.00608 @@ -7276,9 +7187,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.784e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.264e-17 + Total alkalinity (eq/kg) = 3.673e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.859e-14 + Electrical balance (eq) = -2.036e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7295,22 +7206,21 @@ Reaction 1. Cl 1.784e-01 Cl- 1.784e-01 1.292e-01 -0.749 -0.889 -0.140 18.44 HCl 3.908e-09 4.654e-09 -8.408 -8.332 0.076 (0) -H(0) 5.406e-17 - H2 2.703e-17 2.816e-17 -16.568 -16.550 0.018 28.61 +H(0) 3.684e-17 + H2 1.842e-17 1.919e-17 -16.735 -16.717 0.018 28.61 Na 1.784e-01 Na+ 1.784e-01 1.344e-01 -0.749 -0.871 -0.123 -0.96 - NaOH 1.241e-18 1.293e-18 -17.906 -17.888 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.303 -59.285 0.018 30.40 + O2 0.000e+00 0.000e+00 -58.969 -58.952 0.018 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.55 -3.10 H2 + H2(g) -13.62 -16.72 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.33 -1.76 1.57 NaCl - O2(g) -56.39 -59.28 -2.89 O2 + O2(g) -56.06 -58.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7346,7 +7256,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.204 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 19949 Density (g/cm³) = 1.00508 Volume (L) = 1.00643 @@ -7354,11 +7264,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.975e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.500e-17 + Total alkalinity (eq/kg) = 3.804e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.472e-10 + Electrical balance (eq) = -8.432e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -7373,22 +7283,21 @@ Reaction 1. Cl 1.975e-01 Cl- 1.975e-01 1.415e-01 -0.704 -0.849 -0.145 18.46 HCl 4.209e-09 5.108e-09 -8.376 -8.292 0.084 (0) -H(0) 5.312e-17 - H2 2.656e-17 2.779e-17 -16.576 -16.556 0.020 28.61 +H(0) 3.810e-17 + H2 1.905e-17 1.994e-17 -16.720 -16.700 0.020 28.61 Na 1.975e-01 Na+ 1.975e-01 1.478e-01 -0.704 -0.830 -0.126 -0.94 - NaOH 1.355e-18 1.418e-18 -17.868 -17.848 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.293 -59.274 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.005 -58.985 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.56 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.38 -59.27 -2.89 O2 + O2(g) -56.09 -58.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7424,7 +7333,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.245 Adjusted to redox equilibrium + pe = -0.227 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20006 Density (g/cm³) = 1.00511 Volume (L) = 1.00644 @@ -7432,9 +7341,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.981e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.828e-17 + Total alkalinity (eq/kg) = 4.090e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.062e-14 + Electrical balance (eq) = -3.971e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7451,22 +7360,21 @@ Reaction 1. Cl 1.981e-01 Cl- 1.981e-01 1.419e-01 -0.703 -0.848 -0.145 18.46 HCl 4.219e-09 5.123e-09 -8.375 -8.291 0.084 (0) -H(0) 4.585e-17 - H2 2.293e-17 2.399e-17 -16.640 -16.620 0.020 28.61 +H(0) 4.220e-17 + H2 2.110e-17 2.209e-17 -16.676 -16.656 0.020 28.61 Na 1.981e-01 Na+ 1.981e-01 1.482e-01 -0.703 -0.829 -0.126 -0.93 - NaOH 1.359e-18 1.422e-18 -17.867 -17.847 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.166 -59.146 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.094 -59.074 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.52 -16.62 -3.10 H2 + H2(g) -13.55 -16.66 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.25 -59.15 -2.89 O2 + O2(g) -56.18 -59.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7502,7 +7410,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.173 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20042 Density (g/cm³) = 1.00512 Volume (L) = 1.00644 @@ -7510,9 +7418,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.985e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.109e-17 + Total alkalinity (eq/kg) = 2.514e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.676e-14 + Electrical balance (eq) = -2.546e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7529,22 +7437,21 @@ Reaction 1. Cl 1.985e-01 Cl- 1.985e-01 1.421e-01 -0.702 -0.847 -0.145 18.46 HCl 4.225e-09 5.132e-09 -8.374 -8.290 0.084 (0) -H(0) 3.579e-17 - H2 1.789e-17 1.873e-17 -16.747 -16.727 0.020 28.61 +H(0) 3.290e-17 + H2 1.645e-17 1.722e-17 -16.784 -16.764 0.020 28.61 Na 1.985e-01 Na+ 1.985e-01 1.485e-01 -0.702 -0.828 -0.126 -0.93 - NaOH 1.361e-18 1.425e-18 -17.866 -17.846 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.951 -58.931 0.020 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.858 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.63 -16.73 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.04 -58.93 -2.89 O2 + O2(g) -55.97 -58.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7580,7 +7487,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.199 Adjusted to redox equilibrium + pe = -0.229 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20182 Density (g/cm³) = 1.00518 Volume (L) = 1.00647 @@ -7588,9 +7495,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.468e-17 + Total alkalinity (eq/kg) = 2.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.553e-14 + Electrical balance (eq) = -4.585e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7607,22 +7514,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.431e-01 -0.699 -0.844 -0.145 18.46 HCl 4.248e-09 5.168e-09 -8.372 -8.287 0.085 (0) -H(0) 3.711e-17 - H2 1.856e-17 1.943e-17 -16.731 -16.711 0.020 28.61 +H(0) 4.273e-17 + H2 2.136e-17 2.237e-17 -16.670 -16.650 0.020 28.61 Na 2.000e-01 Na+ 2.000e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.434e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.983 -58.963 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.105 -59.085 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.07 -58.96 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7658,7 +7564,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.199 Adjusted to redox equilibrium + pe = -0.229 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20182 Density (g/cm³) = 1.00518 Volume (L) = 1.00647 @@ -7666,9 +7572,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.468e-17 + Total alkalinity (eq/kg) = 2.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.553e-14 + Electrical balance (eq) = -4.585e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7685,22 +7591,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.431e-01 -0.699 -0.844 -0.145 18.46 HCl 4.248e-09 5.168e-09 -8.372 -8.287 0.085 (0) -H(0) 3.711e-17 - H2 1.856e-17 1.943e-17 -16.731 -16.711 0.020 28.61 +H(0) 4.273e-17 + H2 2.136e-17 2.237e-17 -16.670 -16.650 0.020 28.61 Na 2.000e-01 Na+ 2.000e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.434e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.983 -58.963 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.105 -59.085 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.07 -58.96 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7736,7 +7641,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20191 Density (g/cm³) = 1.00519 Volume (L) = 1.00647 @@ -7744,11 +7649,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.163e-17 + Total alkalinity (eq/kg) = 4.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.081e-14 + Electrical balance (eq) = -4.029e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -7763,22 +7668,21 @@ Reaction 1. Cl 2.001e-01 Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 HCl 4.249e-09 5.170e-09 -8.372 -8.287 0.085 (0) -H(0) 3.617e-17 - H2 1.808e-17 1.894e-17 -16.743 -16.723 0.020 28.61 +H(0) 4.612e-17 + H2 2.306e-17 2.415e-17 -16.637 -16.617 0.020 28.61 Na 2.001e-01 Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.435e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.961 -58.941 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.172 -59.152 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -56.26 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7814,7 +7718,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20191 Density (g/cm³) = 1.00519 Volume (L) = 1.00647 @@ -7822,11 +7726,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.163e-17 + Total alkalinity (eq/kg) = 4.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.081e-14 + Electrical balance (eq) = -4.029e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -7841,22 +7745,21 @@ Reaction 1. Cl 2.001e-01 Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 HCl 4.249e-09 5.170e-09 -8.372 -8.287 0.085 (0) -H(0) 3.617e-17 - H2 1.808e-17 1.894e-17 -16.743 -16.723 0.020 28.61 +H(0) 4.612e-17 + H2 2.306e-17 2.415e-17 -16.637 -16.617 0.020 28.61 Na 2.001e-01 Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.435e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.961 -58.941 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.172 -59.152 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -56.26 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7892,7 +7795,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.149 Adjusted to redox equilibrium + pe = 0.001 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20302 Density (g/cm³) = 1.00524 Volume (L) = 1.00649 @@ -7900,11 +7803,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.485e-17 + Total alkalinity (eq/kg) = 8.408e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.855e-14 + Electrical balance (eq) = -1.458e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -7919,22 +7822,21 @@ Reaction 1. Cl 2.013e-01 Cl- 2.013e-01 1.439e-01 -0.696 -0.842 -0.146 18.46 HCl 4.267e-09 5.198e-09 -8.370 -8.284 0.086 (0) -H(0) 2.957e-17 - H2 1.479e-17 1.549e-17 -16.830 -16.810 0.020 28.61 +H(0) 1.480e-17 + H2 7.399e-18 7.750e-18 -17.131 -17.111 0.020 28.61 Na 2.013e-01 Na+ 2.013e-01 1.505e-01 -0.696 -0.823 -0.126 -0.93 - NaOH 1.377e-18 1.443e-18 -17.861 -17.841 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.786 -58.766 0.020 30.40 + O2 0.000e+00 0.000e+00 -58.185 -58.165 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.81 -3.10 H2 + H2(g) -14.01 -17.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.23 -1.66 1.57 NaCl - O2(g) -55.87 -58.77 -2.89 O2 + O2(g) -55.27 -58.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7970,7 +7872,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.142 Adjusted to redox equilibrium + pe = -0.230 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20342 Density (g/cm³) = 1.00525 Volume (L) = 1.00650 @@ -7978,9 +7880,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.017e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.891e-17 + Total alkalinity (eq/kg) = 4.083e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.304e-14 + Electrical balance (eq) = -4.571e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7997,22 +7899,21 @@ Reaction 1. Cl 2.017e-01 Cl- 2.017e-01 1.442e-01 -0.695 -0.841 -0.146 18.46 HCl 4.274e-09 5.208e-09 -8.369 -8.283 0.086 (0) -H(0) 2.857e-17 - H2 1.429e-17 1.497e-17 -16.845 -16.825 0.020 28.61 +H(0) 4.281e-17 + H2 2.140e-17 2.242e-17 -16.669 -16.649 0.020 28.61 Na 2.017e-01 Na+ 2.017e-01 1.508e-01 -0.695 -0.822 -0.126 -0.93 - NaOH 1.380e-18 1.446e-18 -17.860 -17.840 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.756 -58.736 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.108 -59.087 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.23 -1.66 1.57 NaCl - O2(g) -55.84 -58.74 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8048,19 +7949,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.166 Adjusted to redox equilibrium + pe = -0.374 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21350 Density (g/cm³) = 1.00569 Volume (L) = 1.00670 - Viscosity (mPa s) = 0.90722 + Viscosity (mPa s) = 0.90723 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.126e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.578e-17 + Total alkalinity (eq/kg) = 4.013e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.587e-14 + Electrical balance (eq) = -7.087e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8075,22 +7976,21 @@ Reaction 1. Cl 2.126e-01 Cl- 2.126e-01 1.512e-01 -0.672 -0.821 -0.148 18.47 HCl 4.437e-09 5.465e-09 -8.353 -8.262 0.090 (0) -H(0) 3.196e-17 - H2 1.598e-17 1.678e-17 -16.796 -16.775 0.021 28.61 +H(0) 8.324e-17 + H2 4.162e-17 4.371e-17 -16.381 -16.359 0.021 28.61 Na 2.126e-01 Na+ 2.126e-01 1.584e-01 -0.672 -0.800 -0.128 -0.92 - NaOH 1.444e-18 1.516e-18 -17.840 -17.819 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.857 -58.836 0.021 30.40 + O2 0.000e+00 0.000e+00 -59.689 -59.667 0.021 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.67 -16.78 -3.10 H2 + H2(g) -13.26 -16.36 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.19 -1.62 1.57 NaCl - O2(g) -55.94 -58.84 -2.89 O2 + O2(g) -56.78 -59.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8126,7 +8026,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.222 Adjusted to redox equilibrium + pe = -0.435 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21910 Density (g/cm³) = 1.00593 Volume (L) = 1.00681 @@ -8134,11 +8034,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.187e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.036e-17 + Total alkalinity (eq/kg) = 3.279e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.989e-14 + Electrical balance (eq) = -9.134e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8153,22 +8053,21 @@ Reaction 1. Cl 2.187e-01 Cl- 2.187e-01 1.550e-01 -0.660 -0.810 -0.149 18.48 HCl 4.526e-09 5.608e-09 -8.344 -8.251 0.093 (0) -H(0) 4.126e-17 - H2 2.063e-17 2.170e-17 -16.686 -16.664 0.022 28.61 +H(0) 1.098e-16 + H2 5.490e-17 5.774e-17 -16.260 -16.239 0.022 28.61 Na 2.187e-01 Na+ 2.187e-01 1.626e-01 -0.660 -0.789 -0.129 -0.91 - NaOH 1.479e-18 1.556e-18 -17.830 -17.808 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.081 -59.059 0.022 30.40 + O2 0.000e+00 0.000e+00 -59.931 -59.909 0.022 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.56 -16.66 -3.10 H2 + H2(g) -13.14 -16.24 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.17 -1.60 1.57 NaCl - O2(g) -56.17 -59.06 -2.89 O2 + O2(g) -57.02 -59.91 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8204,7 +8103,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.351 Adjusted to redox equilibrium + pe = -0.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 22946 Density (g/cm³) = 1.00638 Volume (L) = 1.00701 @@ -8212,11 +8111,11 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.300e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.554e-17 + Total alkalinity (eq/kg) = 2.846e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.206e-14 + Electrical balance (eq) = -1.046e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8231,22 +8130,21 @@ Reaction 1. Cl 2.300e-01 Cl- 2.300e-01 1.622e-01 -0.638 -0.790 -0.152 18.49 HCl 4.687e-09 5.873e-09 -8.329 -8.231 0.098 (0) -H(0) 7.465e-17 - H2 3.733e-17 3.936e-17 -16.428 -16.405 0.023 28.61 +H(0) 3.100e-17 + H2 1.550e-17 1.635e-17 -16.810 -16.787 0.023 28.61 Na 2.300e-01 Na+ 2.300e-01 1.705e-01 -0.638 -0.768 -0.130 -0.89 - NaOH 1.545e-18 1.629e-18 -17.811 -17.788 0.023 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.600 -59.577 0.023 30.40 + O2 0.000e+00 0.000e+00 -58.837 -58.814 0.023 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.30 -16.40 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.13 -1.56 1.57 NaCl - O2(g) -56.68 -59.58 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8282,7 +8180,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.170 Adjusted to redox equilibrium + pe = -0.128 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 23521 Density (g/cm³) = 1.00664 Volume (L) = 1.00713 @@ -8290,9 +8188,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.363e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.231e-17 + Total alkalinity (eq/kg) = 2.108e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.198e-13 + Electrical balance (eq) = -7.993e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -8309,22 +8207,21 @@ Reaction 1. Cl 2.363e-01 Cl- 2.363e-01 1.662e-01 -0.627 -0.779 -0.153 18.49 HCl 4.775e-09 6.020e-09 -8.321 -8.220 0.101 (0) -H(0) 3.240e-17 - H2 1.620e-17 1.711e-17 -16.790 -16.767 0.024 28.61 +H(0) 2.672e-17 + H2 1.336e-17 1.411e-17 -16.874 -16.850 0.024 28.61 Na 2.363e-01 Na+ 2.363e-01 1.749e-01 -0.627 -0.757 -0.131 -0.89 - NaOH 1.581e-18 1.670e-18 -17.801 -17.777 0.024 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.877 -58.853 0.024 30.40 + O2 0.000e+00 0.000e+00 -58.710 -58.686 0.024 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.67 -16.77 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.11 -1.54 1.57 NaCl - O2(g) -55.96 -58.85 -2.89 O2 + O2(g) -55.79 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8360,7 +8257,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.034 Adjusted to redox equilibrium + pe = -0.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24756 Density (g/cm³) = 1.00718 Volume (L) = 1.00737 @@ -8368,9 +8265,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.499e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.564e-17 + Total alkalinity (eq/kg) = 5.344e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.687e-13 + Electrical balance (eq) = -1.394e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -8387,22 +8284,21 @@ Reaction 1. Cl 2.499e-01 Cl- 2.499e-01 1.747e-01 -0.602 -0.758 -0.155 18.51 HCl 4.960e-09 6.336e-09 -8.305 -8.198 0.106 (0) -H(0) 1.733e-17 - H2 8.663e-18 9.176e-18 -17.062 -17.037 0.025 28.61 +H(0) 6.267e-17 + H2 3.133e-17 3.319e-17 -16.504 -16.479 0.025 28.61 Na 2.499e-01 Na+ 2.499e-01 1.843e-01 -0.602 -0.734 -0.132 -0.87 - NaOH 1.659e-18 1.757e-18 -17.780 -17.755 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.338 -58.313 0.025 30.40 + O2 0.000e+00 0.000e+00 -59.454 -59.429 0.025 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.94 -17.04 -3.10 H2 + H2(g) -13.38 -16.48 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.06 -1.49 1.57 NaCl - O2(g) -55.42 -58.31 -2.89 O2 + O2(g) -56.54 -59.43 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8438,7 +8334,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.230 Adjusted to redox equilibrium + pe = -0.117 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24849 Density (g/cm³) = 1.00722 Volume (L) = 1.00739 @@ -8446,11 +8342,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.509e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.915e-17 + Total alkalinity (eq/kg) = 1.444e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.234e-14 + Electrical balance (eq) = -3.901e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8465,22 +8361,21 @@ Reaction 1. Cl 2.509e-01 Cl- 2.509e-01 1.753e-01 -0.600 -0.756 -0.156 18.51 HCl 4.973e-09 6.360e-09 -8.303 -8.197 0.107 (0) -H(0) 4.282e-17 - H2 2.141e-17 2.268e-17 -16.669 -16.644 0.025 28.61 +H(0) 2.544e-17 + H2 1.272e-17 1.348e-17 -16.896 -16.870 0.025 28.61 Na 2.509e-01 Na+ 2.509e-01 1.850e-01 -0.600 -0.733 -0.132 -0.87 - NaOH 1.665e-18 1.764e-18 -17.779 -17.754 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.124 -59.099 0.025 30.40 + O2 0.000e+00 0.000e+00 -58.672 -58.647 0.025 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.06 -1.49 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -55.75 -58.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8516,7 +8411,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.052 Adjusted to redox equilibrium + pe = -0.220 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25253 Density (g/cm³) = 1.00740 Volume (L) = 1.00747 @@ -8524,9 +8419,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.554e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.175e-18 + Total alkalinity (eq/kg) = -8.313e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-13 + Electrical balance (eq) = -1.437e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -8543,22 +8438,21 @@ Reaction 1. Cl 2.554e-01 Cl- 2.554e-01 1.781e-01 -0.593 -0.749 -0.156 18.51 HCl 5.032e-09 6.463e-09 -8.298 -8.190 0.109 (0) -H(0) 1.882e-17 - H2 9.410e-18 9.980e-18 -17.026 -17.001 0.026 28.61 +H(0) 4.073e-17 + H2 2.036e-17 2.160e-17 -16.691 -16.666 0.026 28.61 Na 2.554e-01 Na+ 2.554e-01 1.881e-01 -0.593 -0.726 -0.133 -0.86 - NaOH 1.690e-18 1.792e-18 -17.772 -17.747 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.411 -58.386 0.026 30.40 + O2 0.000e+00 0.000e+00 -59.082 -59.056 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.90 -17.00 -3.10 H2 + H2(g) -13.56 -16.67 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.04 -1.47 1.57 NaCl - O2(g) -55.49 -58.39 -2.89 O2 + O2(g) -56.16 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8594,7 +8488,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.395 Adjusted to redox equilibrium + pe = -0.249 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25520 Density (g/cm³) = 1.00752 Volume (L) = 1.00753 @@ -8602,11 +8496,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.584e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.778e-17 + Total alkalinity (eq/kg) = 4.278e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.718e-12 + Electrical balance (eq) = -1.457e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8621,22 +8515,21 @@ Reaction 1. Cl 2.584e-01 Cl- 2.584e-01 1.800e-01 -0.588 -0.745 -0.157 18.51 HCl 5.071e-09 6.532e-09 -8.295 -8.185 0.110 (0) -H(0) 9.140e-17 - H2 4.570e-17 4.850e-17 -16.340 -16.314 0.026 28.61 +H(0) 4.652e-17 + H2 2.326e-17 2.469e-17 -16.633 -16.608 0.026 28.61 Na 2.584e-01 Na+ 2.584e-01 1.902e-01 -0.588 -0.721 -0.133 -0.86 - NaOH 1.707e-18 1.811e-18 -17.768 -17.742 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.785 -59.759 0.026 30.40 + O2 0.000e+00 0.000e+00 -59.198 -59.173 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.21 -16.31 -3.10 H2 + H2(g) -13.51 -16.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.04 -1.47 1.57 NaCl - O2(g) -56.87 -59.76 -2.89 O2 + O2(g) -56.28 -59.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8672,7 +8565,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.200 Adjusted to redox equilibrium + pe = -0.198 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25882 Density (g/cm³) = 1.00768 Volume (L) = 1.00760 @@ -8680,9 +8573,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.624e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.772e-17 + Total alkalinity (eq/kg) = 3.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.480e-13 + Electrical balance (eq) = -1.998e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -8699,22 +8592,21 @@ Reaction 1. Cl 2.624e-01 Cl- 2.624e-01 1.825e-01 -0.581 -0.739 -0.158 18.52 HCl 5.122e-09 6.624e-09 -8.291 -8.179 0.112 (0) -H(0) 3.717e-17 - H2 1.859e-17 1.974e-17 -16.731 -16.705 0.026 28.61 +H(0) 3.678e-17 + H2 1.839e-17 1.954e-17 -16.735 -16.709 0.026 28.61 Na 2.624e-01 Na+ 2.624e-01 1.930e-01 -0.581 -0.714 -0.133 -0.85 - NaOH 1.729e-18 1.837e-18 -17.762 -17.736 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.005 -58.979 0.026 30.40 + O2 0.000e+00 0.000e+00 -58.996 -58.969 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.61 -16.71 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.02 -1.45 1.57 NaCl - O2(g) -56.09 -58.98 -2.89 O2 + O2(g) -56.08 -58.97 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8750,7 +8642,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = 0.018 Adjusted to redox equilibrium + pe = -0.366 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 27530 Density (g/cm³) = 1.00841 Volume (L) = 1.00793 @@ -8758,11 +8650,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.808e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.222e-17 + Total alkalinity (eq/kg) = 4.057e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.043e-13 + Electrical balance (eq) = -5.404e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8777,22 +8669,21 @@ Reaction 1. Cl 2.808e-01 Cl- 2.808e-01 1.939e-01 -0.552 -0.712 -0.161 18.53 HCl 5.353e-09 7.048e-09 -8.271 -8.152 0.119 (0) -H(0) 1.362e-17 - H2 6.811e-18 7.266e-18 -17.167 -17.139 0.028 28.61 +H(0) 7.960e-17 + H2 3.980e-17 4.246e-17 -16.400 -16.372 0.028 28.61 Na 2.808e-01 Na+ 2.808e-01 2.057e-01 -0.552 -0.687 -0.135 -0.83 - NaOH 1.832e-18 1.954e-18 -17.737 -17.709 0.028 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.139 -58.111 0.028 30.40 + O2 0.000e+00 0.000e+00 -59.672 -59.644 0.028 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.04 -17.14 -3.10 H2 + H2(g) -13.27 -16.37 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.97 -1.40 1.57 NaCl - O2(g) -55.22 -58.11 -2.89 O2 + O2(g) -56.75 -59.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8828,7 +8719,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.184 Adjusted to redox equilibrium + pe = -0.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 28175 Density (g/cm³) = 1.00869 Volume (L) = 1.00807 @@ -8836,11 +8727,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.880e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.130e-17 + Total alkalinity (eq/kg) = 5.839e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.524e-13 + Electrical balance (eq) = -4.776e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8855,22 +8746,21 @@ Reaction 1. Cl 2.880e-01 Cl- 2.880e-01 1.983e-01 -0.541 -0.703 -0.162 18.54 HCl 5.440e-09 7.214e-09 -8.264 -8.142 0.123 (0) -H(0) 3.440e-17 - H2 1.720e-17 1.838e-17 -16.765 -16.736 0.029 28.61 +H(0) 6.235e-17 + H2 3.117e-17 3.331e-17 -16.506 -16.477 0.029 28.61 Na 2.880e-01 Na+ 2.880e-01 2.108e-01 -0.541 -0.676 -0.136 -0.83 - NaOH 1.872e-18 2.001e-18 -17.728 -17.699 0.029 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.946 -58.917 0.029 30.40 + O2 0.000e+00 0.000e+00 -59.462 -59.434 0.029 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.63 -16.74 -3.10 H2 + H2(g) -13.38 -16.48 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.95 -1.38 1.57 NaCl - O2(g) -56.02 -58.92 -2.89 O2 + O2(g) -56.54 -59.43 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8906,7 +8796,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.371 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29168 Density (g/cm³) = 1.00914 Volume (L) = 1.00827 @@ -8914,11 +8804,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.593e-17 + Total alkalinity (eq/kg) = 2.166e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.573e-13 + Electrical balance (eq) = -4.357e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -8933,22 +8823,21 @@ Reaction 1. Cl 2.992e-01 Cl- 2.992e-01 2.052e-01 -0.524 -0.688 -0.164 18.55 HCl 5.572e-09 7.470e-09 -8.254 -8.127 0.127 (0) -H(0) 8.139e-17 - H2 4.069e-17 4.360e-17 -16.390 -16.361 0.030 28.61 +H(0) 4.547e-17 + H2 2.274e-17 2.436e-17 -16.643 -16.613 0.030 28.61 Na 2.992e-01 Na+ 2.992e-01 2.185e-01 -0.524 -0.661 -0.136 -0.81 - NaOH 1.934e-18 2.072e-18 -17.714 -17.684 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.698 -59.668 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.192 -59.162 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.26 -16.36 -3.10 H2 + H2(g) -13.51 -16.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.78 -59.67 -2.89 O2 + O2(g) -56.27 -59.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8984,7 +8873,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.175 Adjusted to redox equilibrium + pe = -0.401 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29216 Density (g/cm³) = 1.00916 Volume (L) = 1.00828 @@ -8992,11 +8881,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.309e-18 + Total alkalinity (eq/kg) = 1.984e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.130e-09 + Electrical balance (eq) = -4.183e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9011,22 +8900,21 @@ Reaction 1. Cl 2.997e-01 Cl- 2.997e-01 2.055e-01 -0.523 -0.687 -0.164 18.55 HCl 5.578e-09 7.482e-09 -8.254 -8.126 0.128 (0) -H(0) 3.298e-17 - H2 1.649e-17 1.767e-17 -16.783 -16.753 0.030 28.61 +H(0) 9.344e-17 + H2 4.672e-17 5.006e-17 -16.330 -16.301 0.030 28.61 Na 2.997e-01 Na+ 2.997e-01 2.189e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.937e-18 2.075e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.913 -58.883 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.818 -59.788 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -55.99 -58.88 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9062,7 +8950,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.175 Adjusted to redox equilibrium + pe = -0.401 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29216 Density (g/cm³) = 1.00916 Volume (L) = 1.00828 @@ -9070,11 +8958,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.309e-18 + Total alkalinity (eq/kg) = 1.984e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.130e-09 + Electrical balance (eq) = -4.183e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9089,22 +8977,21 @@ Reaction 1. Cl 2.997e-01 Cl- 2.997e-01 2.055e-01 -0.523 -0.687 -0.164 18.55 HCl 5.578e-09 7.482e-09 -8.254 -8.126 0.128 (0) -H(0) 3.298e-17 - H2 1.649e-17 1.767e-17 -16.783 -16.753 0.030 28.61 +H(0) 9.344e-17 + H2 4.672e-17 5.006e-17 -16.330 -16.301 0.030 28.61 Na 2.997e-01 Na+ 2.997e-01 2.189e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.937e-18 2.075e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.913 -58.883 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.818 -59.788 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -55.99 -58.88 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9140,7 +9027,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.178 Adjusted to redox equilibrium + pe = -0.598 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29232 Density (g/cm³) = 1.00917 Volume (L) = 1.00828 @@ -9148,11 +9035,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.999e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.846e-18 + Total alkalinity (eq/kg) = 1.637e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.509e-13 + Electrical balance (eq) = -1.571e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9167,22 +9054,21 @@ Reaction 1. Cl 2.999e-01 Cl- 2.999e-01 2.056e-01 -0.523 -0.687 -0.164 18.55 HCl 5.580e-09 7.486e-09 -8.253 -8.126 0.128 (0) -H(0) 3.352e-17 - H2 1.676e-17 1.796e-17 -16.776 -16.746 0.030 28.61 +H(0) 2.315e-16 + H2 1.158e-16 1.240e-16 -15.936 -15.906 0.030 28.61 Na 2.999e-01 Na+ 2.999e-01 2.190e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.938e-18 2.076e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.927 -58.897 0.030 30.40 + O2 0.000e+00 0.000e+00 -60.606 -60.576 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.75 -3.10 H2 + H2(g) -12.81 -15.91 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.01 -58.90 -2.89 O2 + O2(g) -57.68 -60.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9218,7 +9104,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.237 Adjusted to redox equilibrium + pe = -0.374 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29241 Density (g/cm³) = 1.00917 Volume (L) = 1.00829 @@ -9226,11 +9112,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.973e-17 + Total alkalinity (eq/kg) = 5.787e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.280e-14 + Electrical balance (eq) = -1.077e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9245,22 +9131,21 @@ Reaction 1. Cl 3.000e-01 Cl- 3.000e-01 2.057e-01 -0.523 -0.687 -0.164 18.55 HCl 5.581e-09 7.488e-09 -8.253 -8.126 0.128 (0) -H(0) 4.405e-17 - H2 2.202e-17 2.360e-17 -16.657 -16.627 0.030 28.61 +H(0) 8.271e-17 + H2 4.136e-17 4.431e-17 -16.383 -16.353 0.030 28.61 Na 3.000e-01 Na+ 3.000e-01 2.191e-01 -0.523 -0.659 -0.136 -0.81 - NaOH 1.938e-18 2.077e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.165 -59.135 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.712 -59.682 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.24 -59.13 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9296,7 +9181,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.406 Adjusted to redox equilibrium + pe = -0.113 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29264 Density (g/cm³) = 1.00918 Volume (L) = 1.00829 @@ -9304,11 +9189,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.003e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.566e-17 + Total alkalinity (eq/kg) = 2.398e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.218e-13 + Electrical balance (eq) = -4.237e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9323,22 +9208,21 @@ Reaction 1. Cl 3.003e-01 Cl- 3.003e-01 2.059e-01 -0.523 -0.686 -0.164 18.55 HCl 5.584e-09 7.494e-09 -8.253 -8.125 0.128 (0) -H(0) 9.583e-17 - H2 4.791e-17 5.134e-17 -16.320 -16.290 0.030 28.61 +H(0) 2.481e-17 + H2 1.240e-17 1.329e-17 -16.906 -16.876 0.030 28.61 Na 3.003e-01 Na+ 3.003e-01 2.193e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.940e-18 2.079e-18 -17.712 -17.682 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.840 -59.810 0.030 30.40 + O2 0.000e+00 0.000e+00 -58.666 -58.636 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.78 -16.88 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -55.74 -58.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9374,7 +9258,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.217 Adjusted to redox equilibrium + pe = -0.406 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29283 Density (g/cm³) = 1.00919 Volume (L) = 1.00830 @@ -9382,11 +9266,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.005e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.283e-17 + Total alkalinity (eq/kg) = 7.204e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.916e-13 + Electrical balance (eq) = -1.220e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9401,22 +9285,21 @@ Reaction 1. Cl 3.005e-01 Cl- 3.005e-01 2.060e-01 -0.522 -0.686 -0.164 18.55 HCl 5.587e-09 7.499e-09 -8.253 -8.125 0.128 (0) -H(0) 4.004e-17 - H2 2.002e-17 2.145e-17 -16.699 -16.668 0.030 28.61 +H(0) 9.586e-17 + H2 4.793e-17 5.136e-17 -16.319 -16.289 0.030 28.61 Na 3.005e-01 Na+ 3.005e-01 2.194e-01 -0.522 -0.659 -0.137 -0.81 - NaOH 1.941e-18 2.080e-18 -17.712 -17.682 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.082 -59.052 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.840 -59.810 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.57 -16.67 -3.10 H2 + H2(g) -13.19 -16.29 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.91 -1.34 1.57 NaCl - O2(g) -56.16 -59.05 -2.89 O2 + O2(g) -56.92 -59.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9452,7 +9335,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.244 Adjusted to redox equilibrium + pe = -0.233 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29612 Density (g/cm³) = 1.00934 Volume (L) = 1.00836 @@ -9460,9 +9343,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.042e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.542e-17 + Total alkalinity (eq/kg) = 3.490e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.775e-13 + Electrical balance (eq) = -4.310e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9479,22 +9362,21 @@ Reaction 1. Cl 3.042e-01 Cl- 3.042e-01 2.083e-01 -0.517 -0.681 -0.165 18.55 HCl 5.629e-09 7.584e-09 -8.250 -8.120 0.129 (0) -H(0) 4.544e-17 - H2 2.272e-17 2.437e-17 -16.644 -16.613 0.030 28.61 +H(0) 4.309e-17 + H2 2.154e-17 2.311e-17 -16.667 -16.636 0.030 28.61 Na 3.042e-01 Na+ 3.042e-01 2.220e-01 -0.517 -0.654 -0.137 -0.81 - NaOH 1.961e-18 2.104e-18 -17.707 -17.677 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.193 -59.163 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.147 -59.117 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.54 -16.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.91 -1.34 1.57 NaCl - O2(g) -56.27 -59.16 -2.89 O2 + O2(g) -56.22 -59.12 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9530,7 +9412,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.635 Adjusted to redox equilibrium + pe = -0.050 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 30066 Density (g/cm³) = 1.00954 Volume (L) = 1.00846 @@ -9538,9 +9420,9 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.093e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.264e-17 + Total alkalinity (eq/kg) = -6.079e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.259e-13 + Electrical balance (eq) = -9.303e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9557,22 +9439,21 @@ Reaction 1. Cl 3.093e-01 Cl- 3.093e-01 2.114e-01 -0.510 -0.675 -0.165 18.56 HCl 5.688e-09 7.702e-09 -8.245 -8.113 0.132 (0) -H(0) 2.747e-16 - H2 1.373e-16 1.475e-16 -15.862 -15.831 0.031 28.61 +H(0) 1.854e-17 + H2 9.269e-18 9.953e-18 -17.033 -17.002 0.031 28.61 Na 3.093e-01 Na+ 3.093e-01 2.256e-01 -0.510 -0.647 -0.137 -0.80 - NaOH 1.989e-18 2.136e-18 -17.701 -17.670 0.031 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.757 -60.727 0.031 30.40 + O2 0.000e+00 0.000e+00 -58.416 -58.385 0.031 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -13.90 -17.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.89 -1.32 1.57 NaCl - O2(g) -57.83 -60.73 -2.89 O2 + O2(g) -55.49 -58.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9608,7 +9489,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.290 Adjusted to redox equilibrium + pe = -0.187 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 31004 Density (g/cm³) = 1.00996 Volume (L) = 1.00865 @@ -9616,9 +9497,9 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.200e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.177e-17 + Total alkalinity (eq/kg) = 1.486e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.413e-13 + Electrical balance (eq) = -6.223e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9635,22 +9516,21 @@ Reaction 1. Cl 3.200e-01 Cl- 3.200e-01 2.179e-01 -0.495 -0.662 -0.167 18.56 HCl 5.806e-09 7.944e-09 -8.236 -8.100 0.136 (0) -H(0) 5.610e-17 - H2 2.805e-17 3.020e-17 -16.552 -16.520 0.032 28.61 +H(0) 3.481e-17 + H2 1.741e-17 1.874e-17 -16.759 -16.727 0.032 28.61 Na 3.200e-01 Na+ 3.200e-01 2.330e-01 -0.495 -0.633 -0.138 -0.79 - NaOH 2.047e-18 2.204e-18 -17.689 -17.657 0.032 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.381 -59.349 0.032 30.40 + O2 0.000e+00 0.000e+00 -58.967 -58.935 0.032 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.42 -16.52 -3.10 H2 + H2(g) -13.63 -16.73 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.86 -1.29 1.57 NaCl - O2(g) -56.46 -59.35 -2.89 O2 + O2(g) -56.04 -58.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9686,7 +9566,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.005 Adjusted to redox equilibrium + pe = -0.765 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 31824 Density (g/cm³) = 1.01033 Volume (L) = 1.00882 @@ -9694,11 +9574,11 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.294e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.270e-18 + Total alkalinity (eq/kg) = 2.325e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.914e-13 + Electrical balance (eq) = -5.498e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9713,22 +9593,21 @@ Reaction 1. Cl 3.294e-01 Cl- 3.294e-01 2.236e-01 -0.482 -0.651 -0.168 18.57 HCl 5.906e-09 8.157e-09 -8.229 -8.088 0.140 (0) -H(0) 1.506e-17 - H2 7.532e-18 8.126e-18 -17.123 -17.090 0.033 28.61 +H(0) 4.975e-16 + H2 2.488e-16 2.684e-16 -15.604 -15.571 0.033 28.61 Na 3.294e-01 Na+ 3.294e-01 2.395e-01 -0.482 -0.621 -0.138 -0.78 - NaOH 2.098e-18 2.263e-18 -17.678 -17.645 0.033 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.242 -58.210 0.033 30.40 + O2 0.000e+00 0.000e+00 -61.280 -61.247 0.033 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.09 -3.10 H2 + H2(g) -12.47 -15.57 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.84 -1.27 1.57 NaCl - O2(g) -55.32 -58.21 -2.89 O2 + O2(g) -58.35 -61.25 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9764,7 +9643,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.253 Adjusted to redox equilibrium + pe = -0.066 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 32710 Density (g/cm³) = 1.01073 Volume (L) = 1.00901 @@ -9772,11 +9651,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.395e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.744e-17 + Total alkalinity (eq/kg) = -2.053e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.941e-14 + Electrical balance (eq) = -5.940e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9791,22 +9670,21 @@ Reaction 1. Cl 3.395e-01 Cl- 3.395e-01 2.298e-01 -0.469 -0.639 -0.170 18.58 HCl 6.013e-09 8.386e-09 -8.221 -8.076 0.144 (0) -H(0) 4.704e-17 - H2 2.352e-17 2.543e-17 -16.629 -16.595 0.034 28.61 +H(0) 1.990e-17 + H2 9.950e-18 1.076e-17 -17.002 -16.968 0.034 28.61 Na 3.395e-01 Na+ 3.395e-01 2.465e-01 -0.469 -0.608 -0.139 -0.77 - NaOH 2.152e-18 2.328e-18 -17.667 -17.633 0.034 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.235 -59.201 0.034 30.40 + O2 0.000e+00 0.000e+00 -58.488 -58.454 0.034 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.49 -16.59 -3.10 H2 + H2(g) -13.87 -16.97 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.82 -1.25 1.57 NaCl - O2(g) -56.31 -59.20 -2.89 O2 + O2(g) -55.56 -58.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9842,7 +9720,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.334 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33433 Density (g/cm³) = 1.01106 Volume (L) = 1.00916 @@ -9850,11 +9728,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.478e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.466e-17 + Total alkalinity (eq/kg) = 2.578e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.928e-13 + Electrical balance (eq) = -2.981e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9869,22 +9747,21 @@ Reaction 1. Cl 3.478e-01 Cl- 3.478e-01 2.348e-01 -0.459 -0.629 -0.171 18.59 HCl 6.098e-09 8.574e-09 -8.215 -8.067 0.148 (0) -H(0) 6.853e-17 - H2 3.426e-17 3.712e-17 -16.465 -16.430 0.035 28.61 +H(0) 3.087e-17 + H2 1.544e-17 1.672e-17 -16.811 -16.777 0.035 28.61 Na 3.478e-01 Na+ 3.478e-01 2.523e-01 -0.459 -0.598 -0.139 -0.76 - NaOH 2.197e-18 2.380e-18 -17.658 -17.623 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.564 -59.530 0.035 30.40 + O2 0.000e+00 0.000e+00 -58.872 -58.837 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.33 -16.43 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.80 -1.23 1.57 NaCl - O2(g) -56.64 -59.53 -2.89 O2 + O2(g) -55.94 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9920,7 +9797,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.200 Adjusted to redox equilibrium + pe = -0.131 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33579 Density (g/cm³) = 1.01113 Volume (L) = 1.00920 @@ -9928,11 +9805,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.495e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.379e-17 + Total alkalinity (eq/kg) = 1.933e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.000e-15 + Electrical balance (eq) = -9.377e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -9947,22 +9824,21 @@ Reaction 1. Cl 3.495e-01 Cl- 3.495e-01 2.358e-01 -0.457 -0.627 -0.171 18.59 HCl 6.115e-09 8.612e-09 -8.214 -8.065 0.149 (0) -H(0) 3.689e-17 - H2 1.844e-17 1.999e-17 -16.734 -16.699 0.035 28.61 +H(0) 2.690e-17 + H2 1.345e-17 1.458e-17 -16.871 -16.836 0.035 28.61 Na 3.495e-01 Na+ 3.495e-01 2.534e-01 -0.457 -0.596 -0.140 -0.76 - NaOH 2.206e-18 2.391e-18 -17.656 -17.621 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.027 -58.992 0.035 30.40 + O2 0.000e+00 0.000e+00 -58.753 -58.718 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.79 -1.22 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.83 -58.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9998,7 +9874,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = 0.068 Adjusted to redox equilibrium + pe = -0.500 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33762 Density (g/cm³) = 1.01121 Volume (L) = 1.00923 @@ -10006,11 +9882,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.516e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.130e-17 + Total alkalinity (eq/kg) = 6.818e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.198e-14 + Electrical balance (eq) = -9.965e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10025,22 +9901,21 @@ Reaction 1. Cl 3.516e-01 Cl- 3.516e-01 2.371e-01 -0.454 -0.625 -0.171 18.59 HCl 6.136e-09 8.660e-09 -8.212 -8.062 0.150 (0) -H(0) 1.074e-17 - H2 5.371e-18 5.824e-18 -17.270 -17.235 0.035 28.61 +H(0) 1.471e-16 + H2 7.354e-17 7.974e-17 -16.133 -16.098 0.035 28.61 Na 3.516e-01 Na+ 3.516e-01 2.549e-01 -0.454 -0.594 -0.140 -0.76 - NaOH 2.217e-18 2.404e-18 -17.654 -17.619 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.956 -57.921 0.035 30.40 + O2 0.000e+00 0.000e+00 -60.229 -60.194 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.13 -17.23 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.79 -1.22 1.57 NaCl - O2(g) -55.03 -57.92 -2.89 O2 + O2(g) -57.30 -60.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10076,7 +9951,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.228 Adjusted to redox equilibrium + pe = -0.222 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 34073 Density (g/cm³) = 1.01135 Volume (L) = 1.00930 @@ -10084,9 +9959,9 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.552e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.701e-17 + Total alkalinity (eq/kg) = 3.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.451e-13 + Electrical balance (eq) = -1.025e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10103,22 +9978,21 @@ Reaction 1. Cl 3.552e-01 Cl- 3.552e-01 2.392e-01 -0.450 -0.621 -0.172 18.59 HCl 6.171e-09 8.741e-09 -8.210 -8.058 0.151 (0) -H(0) 4.188e-17 - H2 2.094e-17 2.273e-17 -16.679 -16.643 0.036 28.61 +H(0) 4.074e-17 + H2 2.037e-17 2.211e-17 -16.691 -16.655 0.036 28.61 Na 3.552e-01 Na+ 3.552e-01 2.574e-01 -0.450 -0.589 -0.140 -0.76 - NaOH 2.236e-18 2.427e-18 -17.650 -17.615 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.139 -59.104 0.036 30.40 + O2 0.000e+00 0.000e+00 -59.115 -59.080 0.036 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -13.55 -16.66 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.78 -1.21 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -56.19 -59.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10154,7 +10028,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.430 Adjusted to redox equilibrium + pe = -0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 34557 Density (g/cm³) = 1.01157 Volume (L) = 1.00940 @@ -10162,11 +10036,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.608e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.800e-17 + Total alkalinity (eq/kg) = 3.419e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.017e-14 + Electrical balance (eq) = -9.818e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10181,22 +10055,21 @@ Reaction 1. Cl 3.608e-01 Cl- 3.608e-01 2.426e-01 -0.443 -0.615 -0.172 18.60 HCl 6.226e-09 8.867e-09 -8.206 -8.052 0.154 (0) -H(0) 1.060e-16 - H2 5.301e-17 5.760e-17 -16.276 -16.240 0.036 28.61 +H(0) 3.637e-17 + H2 1.818e-17 1.976e-17 -16.740 -16.704 0.036 28.61 Na 3.608e-01 Na+ 3.608e-01 2.613e-01 -0.443 -0.583 -0.140 -0.75 - NaOH 2.266e-18 2.462e-18 -17.645 -17.609 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.948 -59.912 0.036 30.40 + O2 0.000e+00 0.000e+00 -59.018 -58.982 0.036 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.77 -1.20 1.57 NaCl - O2(g) -57.02 -59.91 -2.89 O2 + O2(g) -56.09 -58.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10232,7 +10105,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.152 Adjusted to redox equilibrium + pe = -0.446 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37186 Density (g/cm³) = 1.01278 Volume (L) = 1.00997 @@ -10240,11 +10113,11 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 3.914e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.649e-17 + Total alkalinity (eq/kg) = 7.944e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.862e-15 + Electrical balance (eq) = -6.231e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10259,22 +10132,21 @@ Reaction 1. Cl 3.914e-01 Cl- 3.914e-01 2.609e-01 -0.407 -0.583 -0.176 18.62 HCl 6.510e-09 9.554e-09 -8.186 -8.020 0.167 (0) -H(0) 2.939e-17 - H2 1.469e-17 1.608e-17 -16.833 -16.794 0.039 28.61 +H(0) 1.139e-16 + H2 5.696e-17 6.233e-17 -16.244 -16.205 0.039 28.61 Na 3.914e-01 Na+ 3.914e-01 2.826e-01 -0.407 -0.549 -0.141 -0.72 - NaOH 2.426e-18 2.655e-18 -17.615 -17.576 0.039 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.843 -58.804 0.039 30.40 + O2 0.000e+00 0.000e+00 -60.020 -59.981 0.039 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.10 -16.21 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.70 -1.13 1.57 NaCl - O2(g) -55.91 -58.80 -2.89 O2 + O2(g) -57.09 -59.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10310,7 +10182,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.352 Adjusted to redox equilibrium + pe = -0.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37890 Density (g/cm³) = 1.01310 Volume (L) = 1.01012 @@ -10318,11 +10190,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 3.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.380e-17 + Total alkalinity (eq/kg) = 6.018e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.427e-13 + Electrical balance (eq) = -5.074e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10337,22 +10209,21 @@ Reaction 1. Cl 3.997e-01 Cl- 3.997e-01 2.659e-01 -0.398 -0.575 -0.177 18.62 HCl 6.583e-09 9.739e-09 -8.182 -8.012 0.170 (0) -H(0) 7.399e-17 - H2 3.699e-17 4.056e-17 -16.432 -16.392 0.040 28.61 +H(0) 6.802e-17 + H2 3.401e-17 3.729e-17 -16.468 -16.428 0.040 28.61 Na 3.997e-01 Na+ 3.997e-01 2.883e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.469e-18 2.707e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.648 -59.608 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.575 -59.535 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.29 -16.39 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.69 -1.12 1.57 NaCl - O2(g) -56.72 -59.61 -2.89 O2 + O2(g) -56.64 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10388,7 +10259,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.352 Adjusted to redox equilibrium + pe = -0.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37890 Density (g/cm³) = 1.01310 Volume (L) = 1.01012 @@ -10396,11 +10267,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 3.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.380e-17 + Total alkalinity (eq/kg) = 6.018e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.427e-13 + Electrical balance (eq) = -5.074e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10415,22 +10286,21 @@ Reaction 1. Cl 3.997e-01 Cl- 3.997e-01 2.659e-01 -0.398 -0.575 -0.177 18.62 HCl 6.583e-09 9.739e-09 -8.182 -8.012 0.170 (0) -H(0) 7.399e-17 - H2 3.699e-17 4.056e-17 -16.432 -16.392 0.040 28.61 +H(0) 6.802e-17 + H2 3.401e-17 3.729e-17 -16.468 -16.428 0.040 28.61 Na 3.997e-01 Na+ 3.997e-01 2.883e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.469e-18 2.707e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.648 -59.608 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.575 -59.535 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.29 -16.39 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.69 -1.12 1.57 NaCl - O2(g) -56.72 -59.61 -2.89 O2 + O2(g) -56.64 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10466,7 +10336,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.276 Adjusted to redox equilibrium + pe = -0.190 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37919 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -10474,11 +10344,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.483e-17 + Total alkalinity (eq/kg) = 3.469e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.612e-15 + Electrical balance (eq) = -7.053e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10493,22 +10363,21 @@ Reaction 1. Cl 4.000e-01 Cl- 4.000e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.746e-09 -8.181 -8.011 0.170 (0) -H(0) 5.213e-17 - H2 2.607e-17 2.858e-17 -16.584 -16.544 0.040 28.61 +H(0) 3.495e-17 + H2 1.748e-17 1.916e-17 -16.758 -16.718 0.040 28.61 Na 4.000e-01 Na+ 4.000e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.471e-18 2.709e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.344 -59.304 0.040 30.40 + O2 0.000e+00 0.000e+00 -58.997 -58.957 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.44 -16.54 -3.10 H2 + H2(g) -13.62 -16.72 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.41 -59.30 -2.89 O2 + O2(g) -56.06 -58.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10544,7 +10413,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.187 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37927 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -10552,11 +10421,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.036e-17 + Total alkalinity (eq/kg) = 1.028e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.432e-14 + Electrical balance (eq) = -2.739e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10571,22 +10440,21 @@ Reaction 1. Cl 4.001e-01 Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.748e-09 -8.181 -8.011 0.170 (0) -H(0) 3.452e-17 - H2 1.726e-17 1.893e-17 -16.763 -16.723 0.040 28.61 +H(0) 8.062e-17 + H2 4.031e-17 4.420e-17 -16.395 -16.355 0.040 28.61 Na 4.001e-01 Na+ 4.001e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.472e-18 2.710e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.986 -58.946 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.723 -59.683 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.05 -58.95 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10622,7 +10490,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.187 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37927 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -10630,11 +10498,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.036e-17 + Total alkalinity (eq/kg) = 1.028e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.432e-14 + Electrical balance (eq) = -2.739e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10649,22 +10517,21 @@ Reaction 1. Cl 4.001e-01 Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.748e-09 -8.181 -8.011 0.170 (0) -H(0) 3.452e-17 - H2 1.726e-17 1.893e-17 -16.763 -16.723 0.040 28.61 +H(0) 8.062e-17 + H2 4.031e-17 4.420e-17 -16.395 -16.355 0.040 28.61 Na 4.001e-01 Na+ 4.001e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.472e-18 2.710e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.986 -58.946 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.723 -59.683 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.05 -58.95 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10700,7 +10567,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.287 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38263 Density (g/cm³) = 1.01327 Volume (L) = 1.01020 @@ -10708,11 +10575,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.040e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.419e-17 + Total alkalinity (eq/kg) = 2.015e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.178e-12 + Electrical balance (eq) = -1.389e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10727,22 +10594,21 @@ Reaction 1. Cl 4.040e-01 Cl- 4.040e-01 2.685e-01 -0.394 -0.571 -0.178 18.63 HCl 6.620e-09 9.836e-09 -8.179 -8.007 0.172 (0) -H(0) 5.473e-17 - H2 2.736e-17 3.003e-17 -16.563 -16.522 0.040 28.61 +H(0) 8.040e-17 + H2 4.020e-17 4.412e-17 -16.396 -16.355 0.040 28.61 Na 4.040e-01 Na+ 4.040e-01 2.914e-01 -0.394 -0.535 -0.142 -0.71 - NaOH 2.492e-18 2.735e-18 -17.603 -17.563 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.388 -59.347 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.722 -59.681 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.42 -16.52 -3.10 H2 + H2(g) -13.25 -16.36 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.45 -59.35 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10778,7 +10644,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.113 Adjusted to redox equilibrium + pe = -0.336 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38404 Density (g/cm³) = 1.01334 Volume (L) = 1.01023 @@ -10786,11 +10652,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.057e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.166e-17 + Total alkalinity (eq/kg) = 4.316e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.503e-12 + Electrical balance (eq) = -2.116e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10805,22 +10671,21 @@ Reaction 1. Cl 4.057e-01 Cl- 4.057e-01 2.694e-01 -0.392 -0.570 -0.178 18.63 HCl 6.634e-09 9.873e-09 -8.178 -8.006 0.173 (0) -H(0) 2.450e-17 - H2 1.225e-17 1.345e-17 -16.912 -16.871 0.041 28.61 +H(0) 6.847e-17 + H2 3.423e-17 3.759e-17 -16.466 -16.425 0.041 28.61 Na 4.057e-01 Na+ 4.057e-01 2.926e-01 -0.392 -0.534 -0.142 -0.71 - NaOH 2.501e-18 2.745e-18 -17.602 -17.561 0.041 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.690 -58.649 0.041 30.40 + O2 0.000e+00 0.000e+00 -59.583 -59.542 0.041 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.77 -16.87 -3.10 H2 + H2(g) -13.32 -16.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.67 -1.10 1.57 NaCl - O2(g) -55.76 -58.65 -2.89 O2 + O2(g) -56.65 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10856,7 +10721,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.430 Adjusted to redox equilibrium + pe = -0.304 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38518 Density (g/cm³) = 1.01339 Volume (L) = 1.01026 @@ -10864,11 +10729,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.070e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.391e-17 + Total alkalinity (eq/kg) = 4.914e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.112e-12 + Electrical balance (eq) = -5.323e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10883,22 +10748,21 @@ Reaction 1. Cl 4.070e-01 Cl- 4.070e-01 2.702e-01 -0.390 -0.568 -0.178 18.63 HCl 6.646e-09 9.903e-09 -8.177 -8.004 0.173 (0) -H(0) 1.057e-16 - H2 5.287e-17 5.806e-17 -16.277 -16.236 0.041 28.61 +H(0) 5.906e-17 + H2 2.953e-17 3.243e-17 -16.530 -16.489 0.041 28.61 Na 4.070e-01 Na+ 4.070e-01 2.935e-01 -0.390 -0.532 -0.142 -0.71 - NaOH 2.507e-18 2.754e-18 -17.601 -17.560 0.041 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.961 -59.920 0.041 30.40 + O2 0.000e+00 0.000e+00 -59.455 -59.414 0.041 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.39 -16.49 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.67 -1.10 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.52 -59.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10934,7 +10798,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.304 Adjusted to redox equilibrium + pe = -0.038 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39688 Density (g/cm³) = 1.01393 Volume (L) = 1.01052 @@ -10942,11 +10806,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.209e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.380e-17 + Total alkalinity (eq/kg) = 6.821e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.358e-12 + Electrical balance (eq) = -2.420e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -10961,22 +10825,21 @@ Reaction 1. Cl 4.209e-01 Cl- 4.209e-01 2.784e-01 -0.376 -0.555 -0.179 18.64 HCl 6.760e-09 1.021e-08 -8.170 -7.991 0.179 (0) -H(0) 5.898e-17 - H2 2.949e-17 3.249e-17 -16.530 -16.488 0.042 28.61 +H(0) 1.732e-17 + H2 8.660e-18 9.541e-18 -17.062 -17.020 0.042 28.61 Na 4.209e-01 Na+ 4.209e-01 3.032e-01 -0.376 -0.518 -0.142 -0.70 - NaOH 2.579e-18 2.841e-18 -17.589 -17.547 0.042 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.458 -59.416 0.042 30.40 + O2 0.000e+00 0.000e+00 -58.394 -58.352 0.042 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.39 -16.49 -3.10 H2 + H2(g) -13.92 -17.02 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.64 -1.07 1.57 NaCl - O2(g) -56.52 -59.42 -2.89 O2 + O2(g) -55.46 -58.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11012,7 +10875,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.382 Adjusted to redox equilibrium + pe = -0.328 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39717 Density (g/cm³) = 1.01395 Volume (L) = 1.01052 @@ -11020,11 +10883,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.212e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.831e-17 + Total alkalinity (eq/kg) = 6.134e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.521e-12 + Electrical balance (eq) = -1.997e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11039,22 +10902,21 @@ Reaction 1. Cl 4.212e-01 Cl- 4.212e-01 2.786e-01 -0.376 -0.555 -0.179 18.64 HCl 6.763e-09 1.022e-08 -8.170 -7.991 0.179 (0) -H(0) 8.477e-17 - H2 4.239e-17 4.670e-17 -16.373 -16.331 0.042 28.61 +H(0) 6.609e-17 + H2 3.304e-17 3.641e-17 -16.481 -16.439 0.042 28.61 Na 4.212e-01 Na+ 4.212e-01 3.034e-01 -0.376 -0.518 -0.142 -0.70 - NaOH 2.580e-18 2.843e-18 -17.588 -17.546 0.042 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.773 -59.731 0.042 30.40 + O2 0.000e+00 0.000e+00 -59.557 -59.515 0.042 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.23 -16.33 -3.10 H2 + H2(g) -13.34 -16.44 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.64 -1.07 1.57 NaCl - O2(g) -56.84 -59.73 -2.89 O2 + O2(g) -56.62 -59.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11090,7 +10952,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.296 Adjusted to redox equilibrium + pe = -0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41000 Density (g/cm³) = 1.01454 Volume (L) = 1.01081 @@ -11098,11 +10960,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.364e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.052e-17 + Total alkalinity (eq/kg) = 2.753e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.749e-13 + Electrical balance (eq) = -6.658e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11117,22 +10979,21 @@ Reaction 1. Cl 4.364e-01 Cl- 4.364e-01 2.876e-01 -0.360 -0.541 -0.181 18.65 HCl 6.884e-09 1.056e-08 -8.162 -7.976 0.186 (0) -H(0) 5.676e-17 - H2 2.838e-17 3.138e-17 -16.547 -16.503 0.044 28.61 +H(0) 8.972e-17 + H2 4.486e-17 4.960e-17 -16.348 -16.305 0.044 28.61 Na 4.364e-01 Na+ 4.364e-01 3.140e-01 -0.360 -0.503 -0.143 -0.68 - NaOH 2.658e-18 2.939e-18 -17.575 -17.532 0.044 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.430 -59.386 0.044 30.40 + O2 0.000e+00 0.000e+00 -59.828 -59.784 0.044 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.61 -1.04 1.57 NaCl - O2(g) -56.49 -59.39 -2.89 O2 + O2(g) -56.89 -59.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11168,7 +11029,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.207 Adjusted to redox equilibrium + pe = -0.376 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41937 Density (g/cm³) = 1.01498 Volume (L) = 1.01101 @@ -11176,11 +11037,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.476e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.694e-17 + Total alkalinity (eq/kg) = 6.440e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.189e-12 + Electrical balance (eq) = -4.316e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11195,22 +11056,21 @@ Reaction 1. Cl 4.476e-01 Cl- 4.476e-01 2.942e-01 -0.349 -0.531 -0.182 18.66 HCl 6.969e-09 1.081e-08 -8.157 -7.966 0.190 (0) -H(0) 3.758e-17 - H2 1.879e-17 2.083e-17 -16.726 -16.681 0.045 28.61 +H(0) 8.186e-17 + H2 4.093e-17 4.538e-17 -16.388 -16.343 0.045 28.61 Na 4.476e-01 Na+ 4.476e-01 3.219e-01 -0.349 -0.492 -0.143 -0.67 - NaOH 2.715e-18 3.009e-18 -17.566 -17.522 0.045 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.075 -59.031 0.045 30.40 + O2 0.000e+00 0.000e+00 -59.752 -59.707 0.045 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.24 -16.34 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.59 -1.02 1.57 NaCl - O2(g) -56.14 -59.03 -2.89 O2 + O2(g) -56.81 -59.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11246,7 +11106,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = 0.085 Adjusted to redox equilibrium + pe = -0.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41953 Density (g/cm³) = 1.01499 Volume (L) = 1.01102 @@ -11254,11 +11114,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.478e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.700e-18 + Total alkalinity (eq/kg) = -1.051e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.670e-12 + Electrical balance (eq) = -1.698e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11273,22 +11133,21 @@ Reaction 1. Cl 4.478e-01 Cl- 4.478e-01 2.944e-01 -0.349 -0.531 -0.182 18.66 HCl 6.970e-09 1.081e-08 -8.157 -7.966 0.191 (0) -H(0) 9.804e-18 - H2 4.902e-18 5.434e-18 -17.310 -17.265 0.045 28.61 +H(0) 2.796e-17 + H2 1.398e-17 1.550e-17 -16.854 -16.810 0.045 28.61 Na 4.478e-01 Na+ 4.478e-01 3.220e-01 -0.349 -0.492 -0.143 -0.67 - NaOH 2.716e-18 3.011e-18 -17.566 -17.521 0.045 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.908 -57.864 0.045 30.40 + O2 0.000e+00 0.000e+00 -58.819 -58.774 0.045 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.16 -17.26 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.59 -1.02 1.57 NaCl - O2(g) -54.97 -57.86 -2.89 O2 + O2(g) -55.88 -58.77 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11324,7 +11183,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.371 Adjusted to redox equilibrium + pe = -0.276 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 43870 Density (g/cm³) = 1.01588 Volume (L) = 1.01145 @@ -11332,11 +11191,11 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 4.708e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.597e-17 + Total alkalinity (eq/kg) = 3.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.396e-13 + Electrical balance (eq) = -1.727e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11351,22 +11210,21 @@ Reaction 1. Cl 4.708e-01 Cl- 4.708e-01 3.079e-01 -0.327 -0.512 -0.184 18.67 HCl 7.136e-09 1.132e-08 -8.147 -7.946 0.200 (0) -H(0) 7.984e-17 - H2 3.992e-17 4.449e-17 -16.399 -16.352 0.047 28.61 +H(0) 5.163e-17 + H2 2.582e-17 2.877e-17 -16.588 -16.541 0.047 28.61 Na 4.708e-01 Na+ 4.708e-01 3.382e-01 -0.327 -0.471 -0.144 -0.65 - NaOH 2.831e-18 3.156e-18 -17.548 -17.501 0.047 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.738 -59.691 0.047 30.40 + O2 0.000e+00 0.000e+00 -59.359 -59.312 0.047 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.25 -16.35 -3.10 H2 + H2(g) -13.44 -16.54 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.55 -0.98 1.57 NaCl - O2(g) -56.80 -59.69 -2.89 O2 + O2(g) -56.42 -59.31 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11402,7 +11260,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.122 Adjusted to redox equilibrium + pe = -0.337 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46044 Density (g/cm³) = 1.01691 Volume (L) = 1.01194 @@ -11410,9 +11268,9 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.342e-17 + Total alkalinity (eq/kg) = 6.291e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.105e-15 + Electrical balance (eq) = -4.630e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -11429,22 +11287,21 @@ Reaction 1. Cl 4.971e-01 Cl- 4.971e-01 3.233e-01 -0.304 -0.490 -0.187 18.69 HCl 7.311e-09 1.190e-08 -8.136 -7.924 0.212 (0) -H(0) 2.532e-17 - H2 1.266e-17 1.419e-17 -16.898 -16.848 0.050 28.61 +H(0) 6.805e-17 + H2 3.403e-17 3.815e-17 -16.468 -16.418 0.050 28.61 Na 4.971e-01 Na+ 4.971e-01 3.567e-01 -0.304 -0.448 -0.144 -0.63 - NaOH 2.962e-18 3.321e-18 -17.528 -17.479 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.749 -58.699 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.608 -59.558 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.32 -16.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.51 -0.94 1.57 NaCl - O2(g) -55.81 -58.70 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11480,7 +11337,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.340 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46238 Density (g/cm³) = 1.01700 Volume (L) = 1.01199 @@ -11488,11 +11345,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.995e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.785e-17 + Total alkalinity (eq/kg) = 3.136e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.010e-15 + Electrical balance (eq) = -3.831e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11507,22 +11364,21 @@ Reaction 1. Cl 4.995e-01 Cl- 4.995e-01 3.246e-01 -0.301 -0.489 -0.187 18.69 HCl 7.326e-09 1.195e-08 -8.135 -7.923 0.213 (0) -H(0) 6.910e-17 - H2 3.455e-17 3.876e-17 -16.462 -16.412 0.050 28.61 +H(0) 4.441e-17 + H2 2.220e-17 2.491e-17 -16.654 -16.604 0.050 28.61 Na 4.995e-01 Na+ 4.995e-01 3.584e-01 -0.301 -0.446 -0.144 -0.63 - NaOH 2.974e-18 3.336e-18 -17.527 -17.477 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.622 -59.572 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.238 -59.188 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.31 -16.41 -3.10 H2 + H2(g) -13.50 -16.60 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.68 -59.57 -2.89 O2 + O2(g) -56.30 -59.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11558,7 +11414,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.340 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46238 Density (g/cm³) = 1.01700 Volume (L) = 1.01199 @@ -11566,11 +11422,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.995e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.785e-17 + Total alkalinity (eq/kg) = 3.136e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.010e-15 + Electrical balance (eq) = -3.831e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11585,22 +11441,21 @@ Reaction 1. Cl 4.995e-01 Cl- 4.995e-01 3.246e-01 -0.301 -0.489 -0.187 18.69 HCl 7.326e-09 1.195e-08 -8.135 -7.923 0.213 (0) -H(0) 6.910e-17 - H2 3.455e-17 3.876e-17 -16.462 -16.412 0.050 28.61 +H(0) 4.441e-17 + H2 2.220e-17 2.491e-17 -16.654 -16.604 0.050 28.61 Na 4.995e-01 Na+ 4.995e-01 3.584e-01 -0.301 -0.446 -0.144 -0.63 - NaOH 2.974e-18 3.336e-18 -17.527 -17.477 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.622 -59.572 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.238 -59.188 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.31 -16.41 -3.10 H2 + H2(g) -13.50 -16.60 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.68 -59.57 -2.89 O2 + O2(g) -56.30 -59.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11636,7 +11491,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -11644,11 +11499,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11663,22 +11518,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11714,7 +11568,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -11722,11 +11576,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11741,22 +11595,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11792,7 +11645,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -11800,11 +11653,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11819,22 +11672,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11870,7 +11722,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -11878,11 +11730,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11897,22 +11749,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11948,7 +11799,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -11956,11 +11807,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -11975,22 +11826,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12026,7 +11876,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 0.031 Adjusted to redox equilibrium + pe = -0.212 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46381 Density (g/cm³) = 1.01707 Volume (L) = 1.01202 @@ -12034,11 +11884,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.012e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.098e-17 + Total alkalinity (eq/kg) = 3.470e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.251e-12 + Electrical balance (eq) = -3.071e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12053,22 +11903,21 @@ Reaction 1. Cl 5.012e-01 Cl- 5.012e-01 3.256e-01 -0.300 -0.487 -0.187 18.69 HCl 7.337e-09 1.199e-08 -8.134 -7.921 0.213 (0) -H(0) 1.247e-17 - H2 6.235e-18 6.997e-18 -17.205 -17.155 0.050 28.61 +H(0) 3.821e-17 + H2 1.911e-17 2.144e-17 -16.719 -16.669 0.050 28.61 Na 5.012e-01 Na+ 5.012e-01 3.596e-01 -0.300 -0.444 -0.144 -0.63 - NaOH 2.982e-18 3.347e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.135 -58.085 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.108 -59.058 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.05 -17.16 -3.10 H2 + H2(g) -13.57 -16.67 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -55.19 -58.08 -2.89 O2 + O2(g) -56.17 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12104,7 +11953,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.267 Adjusted to redox equilibrium + pe = -0.409 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46430 Density (g/cm³) = 1.01709 Volume (L) = 1.01203 @@ -12112,11 +11961,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.018e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.879e-17 + Total alkalinity (eq/kg) = 7.676e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.508e-13 + Electrical balance (eq) = -2.932e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12131,22 +11980,21 @@ Reaction 1. Cl 5.018e-01 Cl- 5.018e-01 3.260e-01 -0.299 -0.487 -0.187 18.69 HCl 7.341e-09 1.200e-08 -8.134 -7.921 0.214 (0) -H(0) 4.935e-17 - H2 2.468e-17 2.770e-17 -16.608 -16.558 0.050 28.61 +H(0) 9.482e-17 + H2 4.741e-17 5.322e-17 -16.324 -16.274 0.050 28.61 Na 5.018e-01 Na+ 5.018e-01 3.600e-01 -0.299 -0.444 -0.144 -0.63 - NaOH 2.985e-18 3.351e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.330 -59.280 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.897 -59.847 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.46 -16.56 -3.10 H2 + H2(g) -13.17 -16.27 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.39 -59.28 -2.89 O2 + O2(g) -56.95 -59.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12182,7 +12030,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.222 Adjusted to redox equilibrium + pe = -0.320 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46439 Density (g/cm³) = 1.01710 Volume (L) = 1.01203 @@ -12190,11 +12038,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.019e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.711e-17 + Total alkalinity (eq/kg) = 6.269e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.040e-16 + Electrical balance (eq) = -4.337e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12209,22 +12057,21 @@ Reaction 1. Cl 5.019e-01 Cl- 5.019e-01 3.260e-01 -0.299 -0.487 -0.187 18.69 HCl 7.342e-09 1.201e-08 -8.134 -7.921 0.214 (0) -H(0) 4.005e-17 - H2 2.002e-17 2.248e-17 -16.698 -16.648 0.050 28.61 +H(0) 6.299e-17 + H2 3.150e-17 3.535e-17 -16.502 -16.452 0.050 28.61 Na 5.019e-01 Na+ 5.019e-01 3.601e-01 -0.299 -0.444 -0.144 -0.63 - NaOH 2.986e-18 3.352e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.149 -59.098 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.542 -59.492 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.55 -16.65 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -56.60 -59.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12260,7 +12107,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.098 Adjusted to redox equilibrium + pe = -0.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46529 Density (g/cm³) = 1.01714 Volume (L) = 1.01205 @@ -12268,11 +12115,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.030e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.225e-17 + Total alkalinity (eq/kg) = 6.061e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.097e-12 + Electrical balance (eq) = -6.297e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12287,22 +12134,21 @@ Reaction 1. Cl 5.030e-01 Cl- 5.030e-01 3.267e-01 -0.298 -0.486 -0.187 18.69 HCl 7.349e-09 1.203e-08 -8.134 -7.920 0.214 (0) -H(0) 2.260e-17 - H2 1.130e-17 1.269e-17 -16.947 -16.897 0.050 28.61 +H(0) 7.382e-17 + H2 3.691e-17 4.144e-17 -16.433 -16.383 0.050 28.61 Na 5.030e-01 Na+ 5.030e-01 3.609e-01 -0.298 -0.443 -0.144 -0.63 - NaOH 2.991e-18 3.358e-18 -17.524 -17.474 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.652 -58.602 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.680 -59.630 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.28 -16.38 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -55.71 -58.60 -2.89 O2 + O2(g) -56.74 -59.63 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12338,7 +12184,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 0.002 Adjusted to redox equilibrium + pe = -0.166 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46775 Density (g/cm³) = 1.01726 Volume (L) = 1.01211 @@ -12346,11 +12192,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.060e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.142e-18 + Total alkalinity (eq/kg) = 2.948e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.186e-15 + Electrical balance (eq) = -9.056e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12365,22 +12211,21 @@ Reaction 1. Cl 5.060e-01 Cl- 5.060e-01 3.284e-01 -0.296 -0.484 -0.188 18.69 HCl 7.367e-09 1.210e-08 -8.133 -7.917 0.215 (0) -H(0) 1.430e-17 - H2 7.150e-18 8.033e-18 -17.146 -17.095 0.051 28.61 +H(0) 3.088e-17 + H2 1.544e-17 1.735e-17 -16.811 -16.761 0.051 28.61 Na 5.060e-01 Na+ 5.060e-01 3.630e-01 -0.296 -0.440 -0.144 -0.63 - NaOH 3.006e-18 3.377e-18 -17.522 -17.471 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.255 -58.205 0.051 30.40 + O2 0.000e+00 0.000e+00 -58.924 -58.874 0.051 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.10 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl - O2(g) -55.31 -58.20 -2.89 O2 + O2(g) -55.98 -58.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12416,7 +12261,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.448 Adjusted to redox equilibrium + pe = -0.052 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46838 Density (g/cm³) = 1.01729 Volume (L) = 1.01212 @@ -12424,11 +12269,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.068e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.558e-17 + Total alkalinity (eq/kg) = -2.189e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.707e-12 + Electrical balance (eq) = -6.226e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12443,22 +12288,21 @@ Reaction 1. Cl 5.068e-01 Cl- 5.068e-01 3.289e-01 -0.295 -0.483 -0.188 18.69 HCl 7.372e-09 1.211e-08 -8.132 -7.917 0.216 (0) -H(0) 1.131e-16 - H2 5.655e-17 6.355e-17 -16.248 -16.197 0.051 28.61 +H(0) 1.832e-17 + H2 9.158e-18 1.029e-17 -17.038 -16.988 0.051 28.61 Na 5.068e-01 Na+ 5.068e-01 3.635e-01 -0.295 -0.439 -0.144 -0.63 - NaOH 3.010e-18 3.382e-18 -17.521 -17.471 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.052 -60.001 0.051 30.40 + O2 0.000e+00 0.000e+00 -58.471 -58.420 0.051 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.10 -16.20 -3.10 H2 + H2(g) -13.89 -16.99 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl - O2(g) -57.11 -60.00 -2.89 O2 + O2(g) -55.53 -58.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12494,7 +12338,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.195 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 48626 Density (g/cm³) = 1.01813 Volume (L) = 1.01253 @@ -12502,11 +12346,11 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.287e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.477e-17 + Total alkalinity (eq/kg) = -3.483e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.290e-15 + Electrical balance (eq) = -7.369e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12521,22 +12365,21 @@ Reaction 1. Cl 5.287e-01 Cl- 5.287e-01 3.416e-01 -0.277 -0.466 -0.190 18.71 HCl 7.503e-09 1.260e-08 -8.125 -7.900 0.225 (0) -H(0) 3.077e-17 - H2 1.538e-17 1.738e-17 -16.813 -16.760 0.053 28.61 +H(0) 3.528e-17 + H2 1.764e-17 1.993e-17 -16.753 -16.701 0.053 28.61 Na 5.287e-01 Na+ 5.287e-01 3.791e-01 -0.277 -0.421 -0.144 -0.61 - NaOH 3.117e-18 3.520e-18 -17.506 -17.453 0.053 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.928 -58.876 0.053 30.40 + O2 0.000e+00 0.000e+00 -59.047 -58.995 0.053 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.46 -0.89 1.57 NaCl - O2(g) -55.98 -58.88 -2.89 O2 + O2(g) -56.10 -58.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12572,7 +12415,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = -0.436 Adjusted to redox equilibrium + pe = -0.437 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 51278 Density (g/cm³) = 1.01940 Volume (L) = 1.01315 @@ -12580,9 +12423,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 5.614e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.055e-16 + Total alkalinity (eq/kg) = 3.317e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.875e-11 + Electrical balance (eq) = -4.777e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 @@ -12599,22 +12442,21 @@ Reaction 1. Cl 5.614e-01 Cl- 5.614e-01 3.606e-01 -0.251 -0.443 -0.192 18.73 HCl 7.680e-09 1.331e-08 -8.115 -7.876 0.239 (0) -H(0) 1.066e-16 - H2 5.331e-17 6.067e-17 -16.273 -16.217 0.056 28.61 +H(0) 1.071e-16 + H2 5.357e-17 6.096e-17 -16.271 -16.215 0.056 28.61 Na 5.614e-01 Na+ 5.614e-01 4.024e-01 -0.251 -0.395 -0.145 -0.58 - NaOH 3.275e-18 3.727e-18 -17.485 -17.429 0.056 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.019 -59.963 0.056 30.40 + O2 0.000e+00 0.000e+00 -60.023 -59.967 0.056 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.12 -16.22 -3.10 H2 + H2(g) -13.11 -16.21 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.41 -0.84 1.57 NaCl - O2(g) -57.07 -59.96 -2.89 O2 + O2(g) -57.07 -59.97 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12650,7 +12492,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = 1.020 Adjusted to redox equilibrium + pe = -0.210 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 51868 Density (g/cm³) = 1.01969 Volume (L) = 1.01329 @@ -12658,11 +12500,11 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 5.687e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.876e-17 + Total alkalinity (eq/kg) = -1.702e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.510e-10 + Electrical balance (eq) = -3.338e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12677,22 +12519,21 @@ Reaction 1. Cl 5.687e-01 Cl- 5.687e-01 3.648e-01 -0.245 -0.438 -0.193 18.73 HCl 7.717e-09 1.347e-08 -8.113 -7.870 0.242 (0) -H(0) 1.303e-19 - H2 6.513e-20 7.425e-20 -19.186 -19.129 0.057 28.61 +H(0) 3.750e-17 + H2 1.875e-17 2.137e-17 -16.727 -16.670 0.057 28.61 Na 5.687e-01 Na+ 5.687e-01 4.076e-01 -0.245 -0.390 -0.145 -0.58 - NaOH 3.310e-18 3.774e-18 -17.480 -17.423 0.057 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.195 -54.138 0.057 30.40 + O2 0.000e+00 0.000e+00 -59.114 -59.057 0.057 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -16.03 -19.13 -3.10 H2 + H2(g) -13.57 -16.67 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.40 -0.83 1.57 NaCl - O2(g) -51.25 -54.14 -2.89 O2 + O2(g) -56.16 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12728,7 +12569,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.396 Adjusted to redox equilibrium + pe = -0.256 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54345 Density (g/cm³) = 1.02088 Volume (L) = 1.01388 @@ -12736,11 +12577,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 5.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.940e-17 + Total alkalinity (eq/kg) = 4.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.027e-11 + Electrical balance (eq) = -1.245e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12755,22 +12596,21 @@ Reaction 1. Cl 5.997e-01 Cl- 5.997e-01 3.826e-01 -0.222 -0.417 -0.195 18.75 HCl 7.863e-09 1.415e-08 -8.104 -7.849 0.255 (0) -H(0) 8.805e-17 - H2 4.403e-17 5.055e-17 -16.356 -16.296 0.060 28.61 +H(0) 4.617e-17 + H2 2.308e-17 2.650e-17 -16.637 -16.577 0.060 28.61 Na 5.997e-01 Na+ 5.997e-01 4.298e-01 -0.222 -0.367 -0.145 -0.56 - NaOH 3.458e-18 3.970e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.865 -59.805 0.060 30.40 + O2 0.000e+00 0.000e+00 -59.304 -59.244 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.91 -59.81 -2.89 O2 + O2(g) -56.35 -59.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12806,7 +12646,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.396 Adjusted to redox equilibrium + pe = -0.256 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54345 Density (g/cm³) = 1.02088 Volume (L) = 1.01388 @@ -12814,11 +12654,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 5.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.940e-17 + Total alkalinity (eq/kg) = 4.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.027e-11 + Electrical balance (eq) = -1.245e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12833,22 +12673,21 @@ Reaction 1. Cl 5.997e-01 Cl- 5.997e-01 3.826e-01 -0.222 -0.417 -0.195 18.75 HCl 7.863e-09 1.415e-08 -8.104 -7.849 0.255 (0) -H(0) 8.805e-17 - H2 4.403e-17 5.055e-17 -16.356 -16.296 0.060 28.61 +H(0) 4.617e-17 + H2 2.308e-17 2.650e-17 -16.637 -16.577 0.060 28.61 Na 5.997e-01 Na+ 5.997e-01 4.298e-01 -0.222 -0.367 -0.145 -0.56 - NaOH 3.458e-18 3.970e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.865 -59.805 0.060 30.40 + O2 0.000e+00 0.000e+00 -59.304 -59.244 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.91 -59.81 -2.89 O2 + O2(g) -56.35 -59.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12884,7 +12723,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.022 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54368 Density (g/cm³) = 1.02089 Volume (L) = 1.01388 @@ -12892,11 +12731,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 6.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.964e-17 + Total alkalinity (eq/kg) = 1.014e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.279e-11 + Electrical balance (eq) = -6.595e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12911,22 +12750,21 @@ Reaction 1. Cl 6.000e-01 Cl- 6.000e-01 3.828e-01 -0.222 -0.417 -0.195 18.75 HCl 7.864e-09 1.416e-08 -8.104 -7.849 0.255 (0) -H(0) 5.086e-17 - H2 2.543e-17 2.920e-17 -16.595 -16.535 0.060 28.61 +H(0) 1.572e-17 + H2 7.859e-18 9.023e-18 -17.105 -17.045 0.060 28.61 Na 6.000e-01 Na+ 6.000e-01 4.300e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.459e-18 3.972e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.389 -59.329 0.060 30.40 + O2 0.000e+00 0.000e+00 -58.369 -58.309 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.43 -16.53 -3.10 H2 + H2(g) -13.94 -17.04 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.44 -59.33 -2.89 O2 + O2(g) -55.42 -58.31 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12962,7 +12800,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.357 Adjusted to redox equilibrium + pe = -0.269 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58345 Density (g/cm³) = 1.02283 Volume (L) = 1.01484 @@ -12970,11 +12808,11 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.504e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.500e-17 + Total alkalinity (eq/kg) = 4.486e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.528e-11 + Electrical balance (eq) = -1.770e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12989,22 +12827,21 @@ Reaction 1. Cl 6.504e-01 Cl- 6.504e-01 4.117e-01 -0.187 -0.385 -0.199 18.78 HCl 8.066e-09 1.526e-08 -8.093 -7.817 0.277 (0) -H(0) 7.313e-17 - H2 3.656e-17 4.247e-17 -16.437 -16.372 0.065 28.61 +H(0) 4.873e-17 + H2 2.437e-17 2.830e-17 -16.613 -16.548 0.065 28.61 Na 6.504e-01 Na+ 6.504e-01 4.665e-01 -0.187 -0.331 -0.144 -0.52 - NaOH 3.695e-18 4.292e-18 -17.432 -17.367 0.065 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.721 -59.656 0.065 30.40 + O2 0.000e+00 0.000e+00 -59.368 -59.303 0.065 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.27 -16.37 -3.10 H2 + H2(g) -13.45 -16.55 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.29 -0.72 1.57 NaCl - O2(g) -56.76 -59.66 -2.89 O2 + O2(g) -56.41 -59.30 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13040,7 +12877,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = 0.070 Adjusted to redox equilibrium + pe = -0.290 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58471 Density (g/cm³) = 1.02289 Volume (L) = 1.01487 @@ -13048,11 +12885,11 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.520e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.798e-18 + Total alkalinity (eq/kg) = 3.537e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.983e-12 + Electrical balance (eq) = -1.278e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13067,22 +12904,21 @@ Reaction 1. Cl 6.520e-01 Cl- 6.520e-01 4.126e-01 -0.186 -0.384 -0.199 18.78 HCl 8.072e-09 1.529e-08 -8.093 -7.816 0.277 (0) -H(0) 1.022e-17 - H2 5.112e-18 5.940e-18 -17.291 -17.226 0.065 28.61 +H(0) 5.372e-17 + H2 2.686e-17 3.121e-17 -16.571 -16.506 0.065 28.61 Na 6.520e-01 Na+ 6.520e-01 4.677e-01 -0.186 -0.330 -0.144 -0.52 - NaOH 3.702e-18 4.302e-18 -17.432 -17.366 0.065 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.012 -57.947 0.065 30.40 + O2 0.000e+00 0.000e+00 -59.453 -59.388 0.065 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.13 -17.23 -3.10 H2 + H2(g) -13.40 -16.51 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.28 -0.71 1.57 NaCl - O2(g) -55.05 -57.95 -2.89 O2 + O2(g) -56.50 -59.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13118,7 +12954,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.344 Adjusted to redox equilibrium + pe = 0.546 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 60928 Density (g/cm³) = 1.02410 Volume (L) = 1.01547 @@ -13126,11 +12962,11 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.835e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.843e-17 + Total alkalinity (eq/kg) = -2.055e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.663e-15 + Electrical balance (eq) = -7.172e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 35 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13145,22 +12981,21 @@ Reaction 1. Cl 6.835e-01 Cl- 6.835e-01 4.306e-01 -0.165 -0.366 -0.201 18.80 HCl 8.177e-09 1.598e-08 -8.087 -7.796 0.291 (0) -H(0) 6.847e-17 - H2 3.423e-17 4.007e-17 -16.466 -16.397 0.068 28.61 +H(0) 1.138e-18 + H2 5.689e-19 6.659e-19 -18.245 -18.177 0.068 28.61 Na 6.835e-01 Na+ 6.835e-01 4.907e-01 -0.165 -0.309 -0.144 -0.50 - NaOH 3.847e-18 4.503e-18 -17.415 -17.346 0.068 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.674 -59.606 0.068 30.40 + O2 0.000e+00 0.000e+00 -56.116 -56.047 0.068 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.30 -16.40 -3.10 H2 + H2(g) -15.08 -18.18 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.25 -0.68 1.57 NaCl - O2(g) -56.71 -59.61 -2.89 O2 + O2(g) -53.15 -56.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13196,7 +13031,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = -0.258 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 61342 Density (g/cm³) = 1.02431 Volume (L) = 1.01558 @@ -13204,9 +13039,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.889e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.270e-17 + Total alkalinity (eq/kg) = 3.084e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.720e-11 + Electrical balance (eq) = -1.144e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -13223,22 +13058,21 @@ Reaction 1. Cl 6.889e-01 Cl- 6.889e-01 4.336e-01 -0.162 -0.363 -0.201 18.80 HCl 8.194e-09 1.609e-08 -8.087 -7.793 0.293 (0) -H(0) 5.524e-17 - H2 2.762e-17 3.237e-17 -16.559 -16.490 0.069 28.61 +H(0) 4.600e-17 + H2 2.300e-17 2.695e-17 -16.638 -16.569 0.069 28.61 Na 6.889e-01 Na+ 6.889e-01 4.946e-01 -0.162 -0.306 -0.144 -0.49 - NaOH 3.872e-18 4.537e-18 -17.412 -17.343 0.069 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.490 -59.421 0.069 30.40 + O2 0.000e+00 0.000e+00 -59.331 -59.262 0.069 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.39 -16.49 -3.10 H2 + H2(g) -13.47 -16.57 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.24 -0.67 1.57 NaCl - O2(g) -56.53 -59.42 -2.89 O2 + O2(g) -56.37 -59.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13274,7 +13108,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.103 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62135 Density (g/cm³) = 1.02470 Volume (L) = 1.01577 @@ -13282,11 +13116,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 6.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.579e-18 + Total alkalinity (eq/kg) = -5.953e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.459e-10 + Electrical balance (eq) = -6.554e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13301,22 +13135,21 @@ Reaction 1. Cl 6.992e-01 Cl- 6.992e-01 4.395e-01 -0.155 -0.357 -0.202 18.80 HCl 8.224e-09 1.632e-08 -8.085 -7.787 0.298 (0) -H(0) 2.247e-17 - H2 1.124e-17 1.320e-17 -16.949 -16.879 0.070 28.61 +H(0) 2.377e-17 + H2 1.188e-17 1.396e-17 -16.925 -16.855 0.070 28.61 Na 6.992e-01 Na+ 6.992e-01 5.021e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.919e-18 4.603e-18 -17.407 -17.337 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.712 -58.642 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.691 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.75 -16.86 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -55.75 -58.64 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13352,7 +13185,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.103 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62135 Density (g/cm³) = 1.02470 Volume (L) = 1.01577 @@ -13360,11 +13193,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 6.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.579e-18 + Total alkalinity (eq/kg) = -5.953e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.459e-10 + Electrical balance (eq) = -6.554e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13379,22 +13212,21 @@ Reaction 1. Cl 6.992e-01 Cl- 6.992e-01 4.395e-01 -0.155 -0.357 -0.202 18.80 HCl 8.224e-09 1.632e-08 -8.085 -7.787 0.298 (0) -H(0) 2.247e-17 - H2 1.124e-17 1.320e-17 -16.949 -16.879 0.070 28.61 +H(0) 2.377e-17 + H2 1.188e-17 1.396e-17 -16.925 -16.855 0.070 28.61 Na 6.992e-01 Na+ 6.992e-01 5.021e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.919e-18 4.603e-18 -17.407 -17.337 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.712 -58.642 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.691 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.75 -16.86 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -55.75 -58.64 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13430,7 +13262,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.288 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62199 Density (g/cm³) = 1.02473 Volume (L) = 1.01579 @@ -13438,11 +13270,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.390e-17 + Total alkalinity (eq/kg) = -2.657e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.256e-09 + Electrical balance (eq) = -2.991e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13457,22 +13289,21 @@ Reaction 1. Cl 7.000e-01 Cl- 7.000e-01 4.399e-01 -0.155 -0.357 -0.202 18.80 HCl 8.226e-09 1.634e-08 -8.085 -7.787 0.298 (0) -H(0) 5.271e-17 - H2 2.636e-17 3.097e-17 -16.579 -16.509 0.070 28.61 +H(0) 2.382e-17 + H2 1.191e-17 1.400e-17 -16.924 -16.854 0.070 28.61 Na 7.000e-01 Na+ 7.000e-01 5.027e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.922e-18 4.608e-18 -17.406 -17.336 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.453 -59.383 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.763 -58.693 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.41 -16.51 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -56.49 -59.38 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13508,7 +13339,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.268 Adjusted to redox equilibrium + pe = -0.146 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62377 Density (g/cm³) = 1.02482 Volume (L) = 1.01583 @@ -13516,11 +13347,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.023e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.641e-17 + Total alkalinity (eq/kg) = 2.714e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.367e-11 + Electrical balance (eq) = -4.043e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13535,22 +13366,21 @@ Reaction 1. Cl 7.023e-01 Cl- 7.023e-01 4.412e-01 -0.153 -0.355 -0.202 18.80 HCl 8.233e-09 1.639e-08 -8.084 -7.786 0.299 (0) -H(0) 4.802e-17 - H2 2.401e-17 2.823e-17 -16.620 -16.549 0.070 28.61 +H(0) 2.736e-17 + H2 1.368e-17 1.608e-17 -16.864 -16.794 0.070 28.61 Na 7.023e-01 Na+ 7.023e-01 5.044e-01 -0.153 -0.297 -0.144 -0.48 - NaOH 3.933e-18 4.623e-18 -17.405 -17.335 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.372 -59.302 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.884 -58.813 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.55 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -56.41 -59.30 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13586,7 +13416,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.332 Adjusted to redox equilibrium + pe = -0.477 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62552 Density (g/cm³) = 1.02491 Volume (L) = 1.01588 @@ -13594,11 +13424,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.046e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.547e-17 + Total alkalinity (eq/kg) = 1.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.907e-10 + Electrical balance (eq) = -7.597e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13613,22 +13443,21 @@ Reaction 1. Cl 7.046e-01 Cl- 7.046e-01 4.425e-01 -0.152 -0.354 -0.202 18.81 HCl 8.239e-09 1.644e-08 -8.084 -7.784 0.300 (0) -H(0) 6.461e-17 - H2 3.231e-17 3.800e-17 -16.491 -16.420 0.070 28.61 +H(0) 1.259e-16 + H2 6.293e-17 7.401e-17 -16.201 -16.131 0.070 28.61 Na 7.046e-01 Na+ 7.046e-01 5.061e-01 -0.152 -0.296 -0.144 -0.48 - NaOH 3.943e-18 4.638e-18 -17.404 -17.334 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.631 -59.561 0.070 30.40 + O2 0.000e+00 0.000e+00 -60.210 -60.140 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.32 -16.42 -3.10 H2 + H2(g) -13.03 -16.13 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -56.67 -59.56 -2.89 O2 + O2(g) -57.25 -60.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13664,7 +13493,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.601 Adjusted to redox equilibrium + pe = -0.338 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62731 Density (g/cm³) = 1.02500 Volume (L) = 1.01592 @@ -13672,11 +13501,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.069e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.842e-17 + Total alkalinity (eq/kg) = 6.424e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.528e-09 + Electrical balance (eq) = -9.345e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13691,22 +13520,21 @@ Reaction 1. Cl 7.069e-01 Cl- 7.069e-01 4.439e-01 -0.151 -0.353 -0.202 18.81 HCl 8.246e-09 1.649e-08 -8.084 -7.783 0.301 (0) -H(0) 2.231e-16 - H2 1.116e-16 1.313e-16 -15.952 -15.882 0.071 28.61 +H(0) 6.626e-17 + H2 3.313e-17 3.898e-17 -16.480 -16.409 0.071 28.61 Na 7.069e-01 Na+ 7.069e-01 5.078e-01 -0.151 -0.294 -0.144 -0.48 - NaOH 3.954e-18 4.653e-18 -17.403 -17.332 0.071 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.708 -60.638 0.071 30.40 + O2 0.000e+00 0.000e+00 -59.654 -59.583 0.071 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -13.31 -16.41 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -57.75 -60.64 -2.89 O2 + O2(g) -56.69 -59.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13742,7 +13570,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.818 Adjusted to redox equilibrium + pe = -0.133 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 63721 Density (g/cm³) = 1.02549 Volume (L) = 1.01617 @@ -13750,11 +13578,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.198e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.513e-17 + Total alkalinity (eq/kg) = -5.496e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.468e-15 + Electrical balance (eq) = -1.736e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 53 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13769,22 +13597,21 @@ Reaction 1. Cl 7.198e-01 Cl- 7.198e-01 4.512e-01 -0.143 -0.346 -0.203 18.81 HCl 8.281e-09 1.677e-08 -8.082 -7.776 0.306 (0) -H(0) 6.033e-16 - H2 3.016e-16 3.560e-16 -15.521 -15.449 0.072 28.61 +H(0) 2.574e-17 + H2 1.287e-17 1.519e-17 -16.890 -16.818 0.072 28.61 Na 7.198e-01 Na+ 7.198e-01 5.173e-01 -0.143 -0.286 -0.143 -0.47 - NaOH 4.012e-18 4.735e-18 -17.397 -17.325 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.576 -61.504 0.072 30.40 + O2 0.000e+00 0.000e+00 -58.837 -58.765 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.35 -15.45 -3.10 H2 + H2(g) -13.72 -16.82 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -58.61 -61.50 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13820,7 +13647,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = 0.038 Adjusted to redox equilibrium + pe = -0.375 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 64074 Density (g/cm³) = 1.02566 Volume (L) = 1.01626 @@ -13828,11 +13655,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 7.244e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.382e-17 + Total alkalinity (eq/kg) = 3.744e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.942e-16 + Electrical balance (eq) = -2.769e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 20 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13847,22 +13674,21 @@ Reaction 1. Cl 7.244e-01 Cl- 7.244e-01 4.538e-01 -0.140 -0.343 -0.203 18.82 HCl 8.293e-09 1.687e-08 -8.081 -7.773 0.308 (0) -H(0) 1.173e-17 - H2 5.864e-18 6.928e-18 -17.232 -17.159 0.072 28.61 +H(0) 7.856e-17 + H2 3.928e-17 4.641e-17 -16.406 -16.333 0.072 28.61 Na 7.244e-01 Na+ 7.244e-01 5.207e-01 -0.140 -0.283 -0.143 -0.47 - NaOH 4.033e-18 4.765e-18 -17.394 -17.322 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.155 -58.083 0.072 30.40 + O2 0.000e+00 0.000e+00 -59.807 -59.735 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.06 -17.16 -3.10 H2 + H2(g) -13.23 -16.33 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -55.19 -58.08 -2.89 O2 + O2(g) -56.84 -59.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13898,7 +13724,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.412 Adjusted to redox equilibrium + pe = 0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 64094 Density (g/cm³) = 1.02567 Volume (L) = 1.01626 @@ -13906,11 +13732,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 7.247e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.275e-17 + Total alkalinity (eq/kg) = -8.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.894e-13 + Electrical balance (eq) = -6.792e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13925,22 +13751,21 @@ Reaction 1. Cl 7.247e-01 Cl- 7.247e-01 4.539e-01 -0.140 -0.343 -0.203 18.82 HCl 8.293e-09 1.687e-08 -8.081 -7.773 0.308 (0) -H(0) 9.321e-17 - H2 4.660e-17 5.507e-17 -16.332 -16.259 0.072 28.61 +H(0) 5.622e-18 + H2 2.811e-18 3.322e-18 -17.551 -17.479 0.072 28.61 Na 7.247e-01 Na+ 7.247e-01 5.209e-01 -0.140 -0.283 -0.143 -0.47 - NaOH 4.034e-18 4.767e-18 -17.394 -17.322 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.956 -59.883 0.072 30.40 + O2 0.000e+00 0.000e+00 -57.517 -57.444 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.16 -16.26 -3.10 H2 + H2(g) -14.38 -17.48 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -56.99 -59.88 -2.89 O2 + O2(g) -54.55 -57.44 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13976,7 +13801,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = -0.393 Adjusted to redox equilibrium + pe = -0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69762 Density (g/cm³) = 1.02852 Volume (L) = 1.01770 @@ -13984,11 +13809,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.996e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.272e-17 + Total alkalinity (eq/kg) = 4.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.420e-15 + Electrical balance (eq) = -5.293e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14003,22 +13828,21 @@ Reaction 1. Cl 7.996e-01 Cl- 7.996e-01 4.963e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.849e-08 -8.073 -7.733 0.340 (0) -H(0) 8.440e-17 - H2 4.220e-17 5.073e-17 -16.375 -16.295 0.080 28.61 +H(0) 5.855e-17 + H2 2.928e-17 3.520e-17 -16.533 -16.454 0.080 28.61 Na 7.996e-01 Na+ 7.996e-01 5.767e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.367e-18 5.249e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.894 -59.814 0.080 30.40 + O2 0.000e+00 0.000e+00 -59.577 -59.497 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.60 -59.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14054,7 +13878,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = -0.393 Adjusted to redox equilibrium + pe = -0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69762 Density (g/cm³) = 1.02852 Volume (L) = 1.01770 @@ -14062,11 +13886,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.996e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.272e-17 + Total alkalinity (eq/kg) = 4.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.420e-15 + Electrical balance (eq) = -5.293e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14081,22 +13905,21 @@ Reaction 1. Cl 7.996e-01 Cl- 7.996e-01 4.963e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.849e-08 -8.073 -7.733 0.340 (0) -H(0) 8.440e-17 - H2 4.220e-17 5.073e-17 -16.375 -16.295 0.080 28.61 +H(0) 5.855e-17 + H2 2.928e-17 3.520e-17 -16.533 -16.454 0.080 28.61 Na 7.996e-01 Na+ 7.996e-01 5.767e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.367e-18 5.249e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.894 -59.814 0.080 30.40 + O2 0.000e+00 0.000e+00 -59.577 -59.497 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.60 -59.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14132,7 +13955,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 0.246 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69794 Density (g/cm³) = 1.02854 Volume (L) = 1.01771 @@ -14140,11 +13963,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.492e-17 + Total alkalinity (eq/kg) = 8.765e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.625e-10 + Electrical balance (eq) = -1.595e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14159,22 +13982,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.965e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.850e-08 -8.073 -7.733 0.340 (0) -H(0) 4.435e-18 - H2 2.217e-18 2.666e-18 -17.654 -17.574 0.080 28.61 +H(0) 1.559e-15 + H2 7.794e-16 9.370e-16 -15.108 -15.028 0.080 28.61 Na 8.000e-01 Na+ 8.000e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.369e-18 5.252e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.336 -57.256 0.080 30.40 + O2 0.000e+00 0.000e+00 -62.427 -62.347 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.47 -17.57 -3.10 H2 + H2(g) -11.93 -15.03 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -54.36 -57.26 -2.89 O2 + O2(g) -59.46 -62.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14210,7 +14032,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 0.246 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69794 Density (g/cm³) = 1.02854 Volume (L) = 1.01771 @@ -14218,11 +14040,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.492e-17 + Total alkalinity (eq/kg) = 8.765e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.625e-10 + Electrical balance (eq) = -1.595e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14237,22 +14059,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.965e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.850e-08 -8.073 -7.733 0.340 (0) -H(0) 4.435e-18 - H2 2.217e-18 2.666e-18 -17.654 -17.574 0.080 28.61 +H(0) 1.559e-15 + H2 7.794e-16 9.370e-16 -15.108 -15.028 0.080 28.61 Na 8.000e-01 Na+ 8.000e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.369e-18 5.252e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.336 -57.256 0.080 30.40 + O2 0.000e+00 0.000e+00 -62.427 -62.347 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.47 -17.57 -3.10 H2 + H2(g) -11.93 -15.03 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -54.36 -57.26 -2.89 O2 + O2(g) -59.46 -62.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14288,7 +14109,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = -0.701 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 73788 Density (g/cm³) = 1.03057 Volume (L) = 1.01875 @@ -14296,11 +14117,11 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.538e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.960e-17 + Total alkalinity (eq/kg) = 5.035e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.644e-09 + Electrical balance (eq) = -1.098e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14315,22 +14136,21 @@ Reaction 1. Cl 8.538e-01 Cl- 8.538e-01 5.268e-01 -0.069 -0.278 -0.210 18.88 HCl 8.519e-09 1.967e-08 -8.070 -7.706 0.363 (0) -H(0) 5.383e-17 - H2 2.691e-17 3.276e-17 -16.570 -16.485 0.085 28.61 +H(0) 3.451e-16 + H2 1.726e-16 2.100e-16 -15.763 -15.678 0.085 28.61 Na 8.538e-01 Na+ 8.538e-01 6.178e-01 -0.069 -0.209 -0.141 -0.39 - NaOH 4.602e-18 5.602e-18 -17.337 -17.252 0.085 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.522 -59.436 0.085 30.40 + O2 0.000e+00 0.000e+00 -61.136 -61.050 0.085 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.38 -16.48 -3.10 H2 + H2(g) -12.58 -15.68 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.06 -0.49 1.57 NaCl - O2(g) -56.54 -59.44 -2.89 O2 + O2(g) -58.16 -61.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14366,7 +14186,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.223 Adjusted to redox equilibrium + pe = -0.378 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 74506 Density (g/cm³) = 1.03094 Volume (L) = 1.01894 @@ -14374,11 +14194,11 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.636e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.265e-17 + Total alkalinity (eq/kg) = 6.283e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.104e-14 + Electrical balance (eq) = -9.442e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14393,22 +14213,21 @@ Reaction 1. Cl 8.636e-01 Cl- 8.636e-01 5.323e-01 -0.064 -0.274 -0.210 18.88 HCl 8.528e-09 1.988e-08 -8.069 -7.702 0.368 (0) -H(0) 3.806e-17 - H2 1.903e-17 2.322e-17 -16.721 -16.634 0.086 28.61 +H(0) 7.779e-17 + H2 3.889e-17 4.745e-17 -16.410 -16.324 0.086 28.61 Na 8.636e-01 Na+ 8.636e-01 6.252e-01 -0.064 -0.204 -0.140 -0.38 - NaOH 4.644e-18 5.666e-18 -17.333 -17.247 0.086 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.224 -59.137 0.086 30.40 + O2 0.000e+00 0.000e+00 -59.845 -59.758 0.086 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.22 -16.32 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.05 -0.48 1.57 NaCl - O2(g) -56.25 -59.14 -2.89 O2 + O2(g) -56.87 -59.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14444,7 +14263,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.418 Adjusted to redox equilibrium + pe = -0.462 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 75276 Density (g/cm³) = 1.03134 Volume (L) = 1.01915 @@ -14452,11 +14271,11 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 8.741e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.998e-17 + Total alkalinity (eq/kg) = 1.053e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.593e-09 + Electrical balance (eq) = -3.730e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 46 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14471,22 +14290,21 @@ Reaction 1. Cl 8.741e-01 Cl- 8.741e-01 5.382e-01 -0.058 -0.269 -0.211 18.89 HCl 8.537e-09 2.011e-08 -8.069 -7.697 0.372 (0) -H(0) 9.341e-17 - H2 4.671e-17 5.712e-17 -16.331 -16.243 0.087 28.61 +H(0) 1.141e-16 + H2 5.705e-17 6.977e-17 -16.244 -16.156 0.087 28.61 Na 8.741e-01 Na+ 8.741e-01 6.333e-01 -0.058 -0.198 -0.140 -0.38 - NaOH 4.689e-18 5.735e-18 -17.329 -17.241 0.087 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.007 -59.920 0.087 30.40 + O2 0.000e+00 0.000e+00 -60.181 -60.094 0.087 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.06 -16.16 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.04 -0.47 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -57.20 -60.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14522,7 +14340,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.612 Adjusted to redox equilibrium + pe = -0.503 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77164 Density (g/cm³) = 1.03231 Volume (L) = 1.01965 @@ -14530,11 +14348,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.304e-16 + Total alkalinity (eq/kg) = 4.304e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.187e-10 + Electrical balance (eq) = -1.387e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14549,22 +14367,21 @@ Reaction 1. Cl 9.000e-01 Cl- 9.000e-01 5.527e-01 -0.046 -0.257 -0.212 18.90 HCl 8.555e-09 2.067e-08 -8.068 -7.685 0.383 (0) -H(0) 2.271e-16 - H2 1.136e-16 1.397e-16 -15.945 -15.855 0.090 28.61 +H(0) 1.373e-16 + H2 6.867e-17 8.449e-17 -16.163 -16.073 0.090 28.61 Na 9.000e-01 Na+ 9.000e-01 6.532e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 4.799e-18 5.905e-18 -17.319 -17.229 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.787 -60.697 0.090 30.40 + O2 0.000e+00 0.000e+00 -60.351 -60.261 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.75 -15.85 -3.10 H2 + H2(g) -12.97 -16.07 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -57.81 -60.70 -2.89 O2 + O2(g) -57.37 -60.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14600,7 +14417,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.070 Adjusted to redox equilibrium + pe = 0.330 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77254 Density (g/cm³) = 1.03236 Volume (L) = 1.01967 @@ -14608,11 +14425,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.660e-17 + Total alkalinity (eq/kg) = -1.241e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.024e-10 + Electrical balance (eq) = -2.443e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14627,22 +14444,21 @@ Reaction 1. Cl 9.013e-01 Cl- 9.012e-01 5.534e-01 -0.045 -0.257 -0.212 18.90 HCl 8.556e-09 2.069e-08 -8.068 -7.684 0.384 (0) -H(0) 1.870e-17 - H2 9.351e-18 1.151e-17 -17.029 -16.939 0.090 28.61 +H(0) 2.969e-18 + H2 1.484e-18 1.827e-18 -17.828 -17.738 0.090 28.61 Na 9.013e-01 Na+ 9.013e-01 6.541e-01 -0.045 -0.184 -0.139 -0.36 - NaOH 4.805e-18 5.913e-18 -17.318 -17.228 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.619 -58.529 0.090 30.40 + O2 0.000e+00 0.000e+00 -57.020 -56.930 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.84 -16.94 -3.10 H2 + H2(g) -14.64 -17.74 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -55.64 -58.53 -2.89 O2 + O2(g) -54.04 -56.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14678,7 +14494,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.070 Adjusted to redox equilibrium + pe = 0.330 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77254 Density (g/cm³) = 1.03236 Volume (L) = 1.01967 @@ -14686,11 +14502,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.660e-17 + Total alkalinity (eq/kg) = -1.241e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.024e-10 + Electrical balance (eq) = -2.443e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14705,22 +14521,21 @@ Reaction 1. Cl 9.013e-01 Cl- 9.012e-01 5.534e-01 -0.045 -0.257 -0.212 18.90 HCl 8.556e-09 2.069e-08 -8.068 -7.684 0.384 (0) -H(0) 1.870e-17 - H2 9.351e-18 1.151e-17 -17.029 -16.939 0.090 28.61 +H(0) 2.969e-18 + H2 1.484e-18 1.827e-18 -17.828 -17.738 0.090 28.61 Na 9.013e-01 Na+ 9.013e-01 6.541e-01 -0.045 -0.184 -0.139 -0.36 - NaOH 4.805e-18 5.913e-18 -17.318 -17.228 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.619 -58.529 0.090 30.40 + O2 0.000e+00 0.000e+00 -57.020 -56.930 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.84 -16.94 -3.10 H2 + H2(g) -14.64 -17.74 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -55.64 -58.53 -2.89 O2 + O2(g) -54.04 -56.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14756,7 +14571,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.422 Adjusted to redox equilibrium + pe = -0.307 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 78669 Density (g/cm³) = 1.03310 Volume (L) = 1.02005 @@ -14764,11 +14579,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.208e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.183e-17 + Total alkalinity (eq/kg) = 3.608e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.396e-09 + Electrical balance (eq) = -3.813e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 45 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14783,22 +14598,21 @@ Reaction 1. Cl 9.208e-01 Cl- 9.208e-01 5.644e-01 -0.036 -0.248 -0.213 18.91 HCl 8.565e-09 2.112e-08 -8.067 -7.675 0.392 (0) -H(0) 9.427e-17 - H2 4.713e-17 5.826e-17 -16.327 -16.235 0.092 28.61 +H(0) 5.551e-17 + H2 2.776e-17 3.431e-17 -16.557 -16.465 0.092 28.61 Na 9.208e-01 Na+ 9.208e-01 6.692e-01 -0.036 -0.174 -0.139 -0.35 - NaOH 4.887e-18 6.041e-18 -17.311 -17.219 0.092 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.031 -59.938 0.092 30.40 + O2 0.000e+00 0.000e+00 -59.571 -59.478 0.092 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.13 -16.23 -3.10 H2 + H2(g) -13.36 -16.46 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.99 -0.42 1.57 NaCl - O2(g) -57.05 -59.94 -2.89 O2 + O2(g) -56.59 -59.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14834,7 +14648,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.485 Adjusted to redox equilibrium + pe = -0.107 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 81742 Density (g/cm³) = 1.03470 Volume (L) = 1.02089 @@ -14842,11 +14656,11 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.636e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.469e-17 + Total alkalinity (eq/kg) = -1.120e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.261e-10 + Electrical balance (eq) = -5.669e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14861,22 +14675,21 @@ Reaction 1. Cl 9.636e-01 Cl- 9.636e-01 5.883e-01 -0.016 -0.230 -0.214 18.93 HCl 8.573e-09 2.204e-08 -8.067 -7.657 0.410 (0) -H(0) 1.251e-16 - H2 6.257e-17 7.811e-17 -16.204 -16.107 0.096 28.61 +H(0) 2.196e-17 + H2 1.098e-17 1.371e-17 -16.959 -16.863 0.096 28.61 Na 9.636e-01 Na+ 9.636e-01 7.026e-01 -0.016 -0.153 -0.137 -0.33 - NaOH 5.066e-18 6.325e-18 -17.295 -17.199 0.096 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.291 -60.194 0.096 30.40 + O2 0.000e+00 0.000e+00 -58.779 -58.683 0.096 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.01 -16.11 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.95 -0.38 1.57 NaCl - O2(g) -57.30 -60.19 -2.89 O2 + O2(g) -55.79 -58.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14912,7 +14725,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.354 Adjusted to redox equilibrium + pe = -0.572 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 82954 Density (g/cm³) = 1.03534 Volume (L) = 1.02123 @@ -14920,11 +14733,11 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.807e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.803e-17 + Total alkalinity (eq/kg) = 1.717e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.019e-13 + Electrical balance (eq) = -6.381e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14939,22 +14752,21 @@ Reaction 1. Cl 9.807e-01 Cl- 9.807e-01 5.979e-01 -0.008 -0.223 -0.215 18.94 HCl 8.572e-09 2.241e-08 -8.067 -7.650 0.417 (0) -H(0) 6.815e-17 - H2 3.408e-17 4.271e-17 -16.468 -16.369 0.098 28.61 +H(0) 1.865e-16 + H2 9.324e-17 1.169e-16 -16.030 -15.932 0.098 28.61 Na 9.807e-01 Na+ 9.807e-01 7.160e-01 -0.008 -0.145 -0.137 -0.32 - NaOH 5.137e-18 6.438e-18 -17.289 -17.191 0.098 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.769 -59.671 0.098 30.40 + O2 0.000e+00 0.000e+00 -60.643 -60.545 0.098 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.27 -16.37 -3.10 H2 + H2(g) -12.83 -15.93 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.94 -0.37 1.57 NaCl - O2(g) -56.78 -59.67 -2.89 O2 + O2(g) -57.65 -60.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14990,7 +14802,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.446 Adjusted to redox equilibrium + pe = -0.186 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 83365 Density (g/cm³) = 1.03556 Volume (L) = 1.02134 @@ -14998,11 +14810,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.865e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.025e-16 + Total alkalinity (eq/kg) = 7.812e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.096e-11 + Electrical balance (eq) = -2.607e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 40 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15017,22 +14829,21 @@ Reaction 1. Cl 9.865e-01 Cl- 9.865e-01 6.011e-01 -0.006 -0.221 -0.215 18.94 HCl 8.571e-09 2.254e-08 -8.067 -7.647 0.420 (0) -H(0) 1.042e-16 - H2 5.209e-17 6.538e-17 -16.283 -16.185 0.099 28.61 +H(0) 3.148e-17 + H2 1.574e-17 1.975e-17 -16.803 -16.704 0.099 28.61 Na 9.865e-01 Na+ 9.865e-01 7.206e-01 -0.006 -0.142 -0.136 -0.31 - NaOH 5.161e-18 6.477e-18 -17.287 -17.189 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.139 -60.040 0.099 30.40 + O2 0.000e+00 0.000e+00 -59.099 -59.001 0.099 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -57.15 -60.04 -2.89 O2 + O2(g) -56.11 -59.00 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15068,7 +14879,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.184 Adjusted to redox equilibrium + pe = -0.059 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 83946 Density (g/cm³) = 1.03586 Volume (L) = 1.02150 @@ -15076,9 +14887,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.947e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.088e-17 + Total alkalinity (eq/kg) = -7.589e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.774e-11 + Electrical balance (eq) = -4.233e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -15095,22 +14906,21 @@ Reaction 1. Cl 9.947e-01 Cl- 9.947e-01 6.057e-01 -0.002 -0.218 -0.215 18.94 HCl 8.569e-09 2.271e-08 -8.067 -7.644 0.423 (0) -H(0) 3.118e-17 - H2 1.559e-17 1.961e-17 -16.807 -16.708 0.099 28.61 +H(0) 1.752e-17 + H2 8.762e-18 1.102e-17 -17.057 -16.958 0.099 28.61 Na 9.947e-01 Na+ 9.947e-01 7.271e-01 -0.002 -0.138 -0.136 -0.31 - NaOH 5.194e-18 6.531e-18 -17.284 -17.185 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.094 -58.995 0.099 30.40 + O2 0.000e+00 0.000e+00 -58.594 -58.494 0.099 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.86 -16.96 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.60 -58.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15146,7 +14956,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.384 Adjusted to redox equilibrium + pe = 0.010 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84006 Density (g/cm³) = 1.03590 Volume (L) = 1.02152 @@ -15154,9 +14964,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.956e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.935e-17 + Total alkalinity (eq/kg) = -1.976e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.348e-14 + Electrical balance (eq) = -3.221e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -15173,22 +14983,21 @@ Reaction 1. Cl 9.956e-01 Cl- 9.956e-01 6.062e-01 -0.002 -0.217 -0.215 18.94 HCl 8.569e-09 2.273e-08 -8.067 -7.643 0.424 (0) -H(0) 7.836e-17 - H2 3.918e-17 4.927e-17 -16.407 -16.307 0.100 28.61 +H(0) 1.277e-17 + H2 6.385e-18 8.031e-18 -17.195 -17.095 0.100 28.61 Na 9.956e-01 Na+ 9.956e-01 7.278e-01 -0.002 -0.138 -0.136 -0.31 - NaOH 5.198e-18 6.537e-18 -17.284 -17.185 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.895 -59.795 0.100 30.40 + O2 0.000e+00 0.000e+00 -58.319 -58.219 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.21 -16.31 -3.10 H2 + H2(g) -13.99 -17.10 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -56.90 -59.80 -2.89 O2 + O2(g) -55.33 -58.22 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15224,7 +15033,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.233 Adjusted to redox equilibrium + pe = 0.042 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84262 Density (g/cm³) = 1.03603 Volume (L) = 1.02159 @@ -15232,9 +15041,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.990e-17 + Total alkalinity (eq/kg) = -2.453e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.342e-11 + Electrical balance (eq) = -5.692e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -15251,22 +15060,21 @@ Reaction 1. Cl 9.992e-01 Cl- 9.992e-01 6.082e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.281e-08 -8.067 -7.642 0.425 (0) -H(0) 3.907e-17 - H2 1.954e-17 2.459e-17 -16.709 -16.609 0.100 28.61 +H(0) 1.098e-17 + H2 5.492e-18 6.913e-18 -17.260 -17.160 0.100 28.61 Na 9.992e-01 Na+ 9.992e-01 7.306e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 5.213e-18 6.561e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.291 -59.192 0.100 30.40 + O2 0.000e+00 0.000e+00 -58.189 -58.089 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -14.06 -17.16 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.30 -59.19 -2.89 O2 + O2(g) -55.20 -58.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15302,7 +15110,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -15310,11 +15118,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15329,22 +15137,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15380,7 +15187,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -15388,11 +15195,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15407,22 +15214,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15458,7 +15264,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -15466,11 +15272,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15485,22 +15291,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15536,7 +15341,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -15544,11 +15349,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15563,22 +15368,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15614,7 +15418,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -15622,11 +15426,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15641,22 +15445,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15692,7 +15495,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -15700,11 +15503,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15719,22 +15522,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15770,7 +15572,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.224 Adjusted to redox equilibrium + pe = 0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84325 Density (g/cm³) = 1.03606 Volume (L) = 1.02161 @@ -15778,11 +15580,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.016e-17 + Total alkalinity (eq/kg) = -1.487e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.497e-11 + Electrical balance (eq) = -5.628e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15797,22 +15599,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.641 0.426 (0) -H(0) 3.741e-17 - H2 1.871e-17 2.355e-17 -16.728 -16.628 0.100 28.61 +H(0) 2.165e-18 + H2 1.082e-18 1.363e-18 -17.966 -17.866 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.217e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.254 -59.154 0.100 30.40 + O2 0.000e+00 0.000e+00 -56.779 -56.679 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -14.76 -17.87 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.26 -59.15 -2.89 O2 + O2(g) -53.79 -56.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15848,7 +15649,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.224 Adjusted to redox equilibrium + pe = 0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84325 Density (g/cm³) = 1.03606 Volume (L) = 1.02161 @@ -15856,11 +15657,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.016e-17 + Total alkalinity (eq/kg) = -1.487e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.497e-11 + Electrical balance (eq) = -5.628e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15875,22 +15676,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.641 0.426 (0) -H(0) 3.741e-17 - H2 1.871e-17 2.355e-17 -16.728 -16.628 0.100 28.61 +H(0) 2.165e-18 + H2 1.082e-18 1.363e-18 -17.966 -17.866 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.217e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.254 -59.154 0.100 30.40 + O2 0.000e+00 0.000e+00 -56.779 -56.679 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -14.76 -17.87 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.26 -59.15 -2.89 O2 + O2(g) -53.79 -56.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15926,7 +15726,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.324 Adjusted to redox equilibrium + pe = -0.343 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84403 Density (g/cm³) = 1.03610 Volume (L) = 1.02163 @@ -15934,11 +15734,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.001e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.644e-17 + Total alkalinity (eq/kg) = -6.222e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.254e-11 + Electrical balance (eq) = -9.427e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15953,22 +15753,21 @@ Reaction 1. Cl 1.001e+00 Cl- 1.001e+00 6.093e-01 0.001 -0.215 -0.216 18.95 HCl 8.568e-09 2.285e-08 -8.067 -7.641 0.426 (0) -H(0) 5.939e-17 - H2 2.970e-17 3.740e-17 -16.527 -16.427 0.100 28.61 +H(0) 6.472e-17 + H2 3.236e-17 4.075e-17 -16.490 -16.390 0.100 28.61 Na 1.001e+00 Na+ 1.001e+00 7.322e-01 0.001 -0.135 -0.136 -0.31 - NaOH 5.221e-18 6.575e-18 -17.282 -17.182 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.656 -59.556 0.100 30.40 + O2 0.000e+00 0.000e+00 -59.730 -59.630 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.33 -16.43 -3.10 H2 + H2(g) -13.29 -16.39 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.66 -59.56 -2.89 O2 + O2(g) -56.74 -59.63 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16004,7 +15803,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -1.077 Adjusted to redox equilibrium + pe = -1.036 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84558 Density (g/cm³) = 1.03619 Volume (L) = 1.02167 @@ -16012,11 +15811,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.712e-16 + Total alkalinity (eq/kg) = 2.245e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.181e-12 + Electrical balance (eq) = -4.136e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16031,22 +15830,21 @@ Reaction 1. Cl 1.003e+00 Cl- 1.003e+00 6.105e-01 0.001 -0.214 -0.216 18.95 HCl 8.567e-09 2.290e-08 -8.067 -7.640 0.427 (0) -H(0) 1.903e-15 - H2 9.516e-16 1.199e-15 -15.022 -14.921 0.100 28.61 +H(0) 1.573e-15 + H2 7.866e-16 9.910e-16 -15.104 -15.004 0.100 28.61 Na 1.003e+00 Na+ 1.003e+00 7.339e-01 0.001 -0.134 -0.136 -0.31 - NaOH 5.230e-18 6.589e-18 -17.281 -17.181 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.668 -62.568 0.100 30.40 + O2 0.000e+00 0.000e+00 -62.503 -62.402 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.82 -14.92 -3.10 H2 + H2(g) -11.90 -15.00 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -59.68 -62.57 -2.89 O2 + O2(g) -59.51 -62.40 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16082,7 +15880,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.389 Adjusted to redox equilibrium + pe = -0.264 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84804 Density (g/cm³) = 1.03632 Volume (L) = 1.02174 @@ -16090,11 +15888,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.007e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.954e-17 + Total alkalinity (eq/kg) = 4.422e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.186e-14 + Electrical balance (eq) = -3.842e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16109,22 +15907,21 @@ Reaction 1. Cl 1.007e+00 Cl- 1.007e+00 6.125e-01 0.003 -0.213 -0.216 18.95 HCl 8.566e-09 2.298e-08 -8.067 -7.639 0.429 (0) -H(0) 7.980e-17 - H2 3.990e-17 5.031e-17 -16.399 -16.298 0.101 28.61 +H(0) 4.498e-17 + H2 2.249e-17 2.836e-17 -16.648 -16.547 0.101 28.61 Na 1.007e+00 Na+ 1.007e+00 7.367e-01 0.003 -0.133 -0.136 -0.30 - NaOH 5.244e-18 6.613e-18 -17.280 -17.180 0.101 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.914 -59.814 0.101 30.40 + O2 0.000e+00 0.000e+00 -59.416 -59.316 0.101 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.45 -16.55 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.42 -59.32 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16160,7 +15957,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = 0.048 Adjusted to redox equilibrium + pe = -0.402 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 85644 Density (g/cm³) = 1.03676 Volume (L) = 1.02197 @@ -16168,11 +15965,11 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.019e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.094e-17 + Total alkalinity (eq/kg) = 6.510e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.957e-16 + Electrical balance (eq) = -4.818e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16187,22 +15984,21 @@ Reaction 1. Cl 1.019e+00 Cl- 1.019e+00 6.192e-01 0.008 -0.208 -0.216 18.95 HCl 8.561e-09 2.324e-08 -8.067 -7.634 0.434 (0) -H(0) 1.063e-17 - H2 5.317e-18 6.723e-18 -17.274 -17.172 0.102 28.61 +H(0) 8.474e-17 + H2 4.237e-17 5.357e-17 -16.373 -16.271 0.102 28.61 Na 1.019e+00 Na+ 1.019e+00 7.462e-01 0.008 -0.127 -0.135 -0.30 - NaOH 5.293e-18 6.693e-18 -17.276 -17.174 0.102 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.168 -58.066 0.102 30.40 + O2 0.000e+00 0.000e+00 -59.970 -59.868 0.102 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.07 -17.17 -3.10 H2 + H2(g) -13.17 -16.27 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.91 -0.34 1.57 NaCl - O2(g) -55.17 -58.07 -2.89 O2 + O2(g) -56.98 -59.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16238,7 +16034,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = 0.008 Adjusted to redox equilibrium + pe = 0.194 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 85794 Density (g/cm³) = 1.03684 Volume (L) = 1.02202 @@ -16246,11 +16042,11 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.021e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.586e-17 + Total alkalinity (eq/kg) = -1.559e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.610e-12 + Electrical balance (eq) = -2.136e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16265,22 +16061,21 @@ Reaction 1. Cl 1.021e+00 Cl- 1.021e+00 6.204e-01 0.009 -0.207 -0.216 18.95 HCl 8.560e-09 2.328e-08 -8.068 -7.633 0.435 (0) -H(0) 1.283e-17 - H2 6.413e-18 8.113e-18 -17.193 -17.091 0.102 28.61 +H(0) 5.429e-18 + H2 2.714e-18 3.434e-18 -17.566 -17.464 0.102 28.61 Na 1.021e+00 Na+ 1.021e+00 7.479e-01 0.009 -0.126 -0.135 -0.30 - NaOH 5.302e-18 6.707e-18 -17.276 -17.173 0.102 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.331 -58.229 0.102 30.40 + O2 0.000e+00 0.000e+00 -57.584 -57.482 0.102 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.09 -3.10 H2 + H2(g) -14.36 -17.46 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.90 -0.33 1.57 NaCl - O2(g) -55.34 -58.23 -2.89 O2 + O2(g) -54.59 -57.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16316,7 +16111,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.017 Adjusted to redox equilibrium + pe = -0.835 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 97265 Density (g/cm³) = 1.04306 Volume (L) = 1.02533 @@ -16324,11 +16119,11 @@ Reaction 1. Activity of water = 0.960 Ionic strength (mol/kgw) = 1.189e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.201e-17 + Total alkalinity (eq/kg) = 2.110e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.484e-15 + Electrical balance (eq) = -7.846e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16343,22 +16138,21 @@ Reaction 1. Cl 1.189e+00 Cl- 1.189e+00 7.138e-01 0.075 -0.146 -0.222 19.02 HCl 8.395e-09 2.691e-08 -8.076 -7.570 0.506 (0) -H(0) 1.394e-17 - H2 6.970e-18 9.164e-18 -17.157 -17.038 0.119 28.61 +H(0) 6.040e-16 + H2 3.020e-16 3.971e-16 -15.520 -15.401 0.119 28.61 Na 1.189e+00 Na+ 1.189e+00 8.844e-01 0.075 -0.053 -0.128 -0.21 - NaOH 5.968e-18 7.848e-18 -17.224 -17.105 0.119 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.459 -58.340 0.119 30.40 + O2 0.000e+00 0.000e+00 -61.732 -61.614 0.119 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.94 -17.04 -3.10 H2 + H2(g) -12.30 -15.40 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.77 -0.20 1.57 NaCl - O2(g) -55.45 -58.34 -2.89 O2 + O2(g) -58.72 -61.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16394,7 +16188,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.411 Adjusted to redox equilibrium + pe = -0.322 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98011 Density (g/cm³) = 1.04347 Volume (L) = 1.02555 @@ -16402,11 +16196,11 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.390e-17 + Total alkalinity (eq/kg) = 1.628e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.364e-14 + Electrical balance (eq) = -1.827e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16421,22 +16215,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.378e-09 2.716e-08 -8.077 -7.566 0.511 (0) -H(0) 8.557e-17 - H2 4.278e-17 5.640e-17 -16.369 -16.249 0.120 28.61 +H(0) 5.675e-17 + H2 2.838e-17 3.741e-17 -16.547 -16.427 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.012e-18 7.925e-18 -17.221 -17.101 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.039 -59.919 0.120 30.40 + O2 0.000e+00 0.000e+00 -59.682 -59.562 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.15 -16.25 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16472,7 +16265,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.411 Adjusted to redox equilibrium + pe = -0.322 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98011 Density (g/cm³) = 1.04347 Volume (L) = 1.02555 @@ -16480,11 +16273,11 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.390e-17 + Total alkalinity (eq/kg) = 1.628e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.364e-14 + Electrical balance (eq) = -1.827e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16499,22 +16292,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.378e-09 2.716e-08 -8.077 -7.566 0.511 (0) -H(0) 8.557e-17 - H2 4.278e-17 5.640e-17 -16.369 -16.249 0.120 28.61 +H(0) 5.675e-17 + H2 2.838e-17 3.741e-17 -16.547 -16.427 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.012e-18 7.925e-18 -17.221 -17.101 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.039 -59.919 0.120 30.40 + O2 0.000e+00 0.000e+00 -59.682 -59.562 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.15 -16.25 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16550,7 +16342,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 0.002 Adjusted to redox equilibrium + pe = -0.245 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 102030 Density (g/cm³) = 1.04571 Volume (L) = 1.02677 @@ -16558,11 +16350,11 @@ Reaction 1. Activity of water = 0.957 Ionic strength (mol/kgw) = 1.261e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.366e-17 + Total alkalinity (eq/kg) = 1.724e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.433e-16 + Electrical balance (eq) = -1.455e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 30 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16577,22 +16369,21 @@ Reaction 1. Cl 1.261e+00 Cl- 1.261e+00 7.539e-01 0.101 -0.123 -0.223 19.05 HCl 8.276e-09 2.848e-08 -8.082 -7.545 0.537 (0) -H(0) 1.260e-17 - H2 6.299e-18 8.421e-18 -17.201 -17.075 0.126 28.61 +H(0) 3.932e-17 + H2 1.966e-17 2.629e-17 -16.706 -16.580 0.126 28.61 Na 1.261e+00 Na+ 1.261e+00 9.451e-01 0.101 -0.025 -0.125 -0.17 - NaOH 6.245e-18 8.349e-18 -17.204 -17.078 0.126 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.395 -58.269 0.126 30.40 + O2 0.000e+00 0.000e+00 -59.384 -59.258 0.126 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.97 -17.07 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.72 -0.15 1.57 NaCl - O2(g) -55.38 -58.27 -2.89 O2 + O2(g) -56.37 -59.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16628,7 +16419,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.444 Adjusted to redox equilibrium + pe = -0.428 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 105680 Density (g/cm³) = 1.04776 Volume (L) = 1.02790 @@ -16636,11 +16427,11 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.317e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.939e-17 + Total alkalinity (eq/kg) = -4.466e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.742e-10 + Electrical balance (eq) = -1.131e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16655,22 +16446,21 @@ Reaction 1. Cl 1.317e+00 Cl- 1.317e+00 7.852e-01 0.120 -0.105 -0.225 19.07 HCl 8.168e-09 2.970e-08 -8.088 -7.527 0.561 (0) -H(0) 9.752e-17 - H2 4.876e-17 6.604e-17 -16.312 -16.180 0.132 28.61 +H(0) 9.059e-17 + H2 4.529e-17 6.135e-17 -16.344 -16.212 0.132 28.61 Na 1.317e+00 Na+ 1.317e+00 9.934e-01 0.120 -0.003 -0.123 -0.15 - NaOH 6.457e-18 8.746e-18 -17.190 -17.058 0.132 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.191 -60.059 0.132 30.40 + O2 0.000e+00 0.000e+00 -60.127 -59.995 0.132 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.11 -16.21 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.68 -0.11 1.57 NaCl - O2(g) -57.17 -60.06 -2.89 O2 + O2(g) -57.10 -60.00 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16706,7 +16496,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.373 Adjusted to redox equilibrium + pe = -0.439 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 109955 Density (g/cm³) = 1.05021 Volume (L) = 1.02925 @@ -16714,11 +16504,11 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.385e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.077e-17 + Total alkalinity (eq/kg) = 9.172e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.825e-11 + Electrical balance (eq) = 5.085e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 7 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16733,22 +16523,21 @@ Reaction 1. Cl 1.385e+00 Cl- 1.385e+00 8.225e-01 0.141 -0.085 -0.226 19.09 HCl 8.023e-09 3.117e-08 -8.096 -7.506 0.589 (0) -H(0) 6.928e-17 - H2 3.464e-17 4.765e-17 -16.460 -16.322 0.138 28.61 +H(0) 9.386e-17 + H2 4.693e-17 6.456e-17 -16.329 -16.190 0.138 28.61 Na 1.385e+00 Na+ 1.385e+00 1.052e+00 0.141 0.022 -0.119 -0.12 - NaOH 6.706e-18 9.225e-18 -17.174 -17.035 0.138 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.916 -59.778 0.138 30.40 + O2 0.000e+00 0.000e+00 -60.180 -60.042 0.138 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.22 -16.32 -3.10 H2 + H2(g) -13.09 -16.19 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.63 -0.06 1.57 NaCl - O2(g) -56.89 -59.78 -2.89 O2 + O2(g) -57.15 -60.04 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16784,7 +16573,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.250 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 110436 Density (g/cm³) = 1.05049 Volume (L) = 1.02940 @@ -16792,11 +16581,11 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.392e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.382e-17 + Total alkalinity (eq/kg) = -4.513e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.443e-12 + Electrical balance (eq) = -5.415e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16811,22 +16600,21 @@ Reaction 1. Cl 1.392e+00 Cl- 1.392e+00 8.268e-01 0.144 -0.083 -0.226 19.10 HCl 8.006e-09 3.133e-08 -8.097 -7.504 0.593 (0) -H(0) 4.446e-17 - H2 2.223e-17 3.063e-17 -16.653 -16.514 0.139 28.61 +H(0) 3.941e-17 + H2 1.971e-17 2.715e-17 -16.705 -16.566 0.139 28.61 Na 1.392e+00 Na+ 1.392e+00 1.059e+00 0.144 0.025 -0.119 -0.11 - NaOH 6.734e-18 9.280e-18 -17.172 -17.032 0.139 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.534 -59.394 0.139 30.40 + O2 0.000e+00 0.000e+00 -59.429 -59.290 0.139 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.41 -16.51 -3.10 H2 + H2(g) -13.47 -16.57 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.63 -0.06 1.57 NaCl - O2(g) -56.50 -59.39 -2.89 O2 + O2(g) -56.40 -59.29 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16862,7 +16650,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.561 Adjusted to redox equilibrium + pe = -0.532 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 110918 Density (g/cm³) = 1.05077 Volume (L) = 1.02955 @@ -16870,11 +16658,11 @@ Reaction 1. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.400e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.083e-16 + Total alkalinity (eq/kg) = 8.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.259e-11 + Electrical balance (eq) = 1.192e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16889,22 +16677,21 @@ Reaction 1. Cl 1.400e+00 Cl- 1.400e+00 8.310e-01 0.146 -0.080 -0.227 19.10 HCl 7.988e-09 3.150e-08 -8.098 -7.502 0.596 (0) -H(0) 1.641e-16 - H2 8.207e-17 1.133e-16 -16.086 -15.946 0.140 28.61 +H(0) 1.436e-16 + H2 7.180e-17 9.911e-17 -16.144 -16.004 0.140 28.61 Na 1.400e+00 Na+ 1.400e+00 1.065e+00 0.146 0.028 -0.119 -0.11 - NaOH 6.763e-18 9.335e-18 -17.170 -17.030 0.140 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.671 -60.531 0.140 30.40 + O2 0.000e+00 0.000e+00 -60.555 -60.415 0.140 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.84 -15.95 -3.10 H2 + H2(g) -12.90 -16.00 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.62 -0.05 1.57 NaCl - O2(g) -57.64 -60.53 -2.89 O2 + O2(g) -57.52 -60.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16940,7 +16727,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 0.018 Adjusted to redox equilibrium + pe = -0.694 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 111781 Density (g/cm³) = 1.05126 Volume (L) = 1.02983 @@ -16948,11 +16735,11 @@ Reaction 1. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.414e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.079e-17 + Total alkalinity (eq/kg) = 2.351e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.536e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Electrical balance (eq) = -3.445e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16967,22 +16754,21 @@ Reaction 1. Cl 1.414e+00 Cl- 1.414e+00 8.387e-01 0.150 -0.076 -0.227 19.11 HCl 7.956e-09 3.180e-08 -8.099 -7.498 0.602 (0) -H(0) 1.139e-17 - H2 5.693e-18 7.884e-18 -17.245 -17.103 0.141 28.61 +H(0) 3.032e-16 + H2 1.516e-16 2.099e-16 -15.819 -15.678 0.141 28.61 Na 1.414e+00 Na+ 1.414e+00 1.078e+00 0.150 0.032 -0.118 -0.10 - NaOH 6.813e-18 9.434e-18 -17.167 -17.025 0.141 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.358 -58.216 0.141 30.40 + O2 0.000e+00 0.000e+00 -61.208 -61.067 0.141 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.00 -17.10 -3.10 H2 + H2(g) -12.58 -15.68 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.61 -0.04 1.57 NaCl - O2(g) -55.32 -58.22 -2.89 O2 + O2(g) -58.17 -61.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17018,7 +16804,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.457 Adjusted to redox equilibrium + pe = -0.587 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 115538 Density (g/cm³) = 1.05346 Volume (L) = 1.03106 @@ -17026,11 +16812,11 @@ Reaction 1. Activity of water = 0.950 Ionic strength (mol/kgw) = 1.475e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.192e-18 + Total alkalinity (eq/kg) = 1.514e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.071e-12 + Electrical balance (eq) = 6.717e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17045,22 +16831,21 @@ Reaction 1. Cl 1.475e+00 Cl- 1.475e+00 8.724e-01 0.169 -0.059 -0.228 19.13 HCl 7.808e-09 3.312e-08 -8.107 -7.480 0.628 (0) -H(0) 1.004e-16 - H2 5.020e-17 7.050e-17 -16.299 -16.152 0.147 28.61 +H(0) 1.831e-16 + H2 9.153e-17 1.285e-16 -16.038 -15.891 0.147 28.61 Na 1.475e+00 Na+ 1.475e+00 1.132e+00 0.169 0.054 -0.115 -0.07 - NaOH 7.032e-18 9.875e-18 -17.153 -17.005 0.147 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.269 -60.121 0.147 30.40 + O2 0.000e+00 0.000e+00 -60.790 -60.643 0.147 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.05 -16.15 -3.10 H2 + H2(g) -12.79 -15.89 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.58 -0.01 1.57 NaCl - O2(g) -57.23 -60.12 -2.89 O2 + O2(g) -57.75 -60.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17096,7 +16881,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.646 Adjusted to redox equilibrium + pe = -0.218 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117081 Density (g/cm³) = 1.05437 Volume (L) = 1.03157 @@ -17104,11 +16889,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.478e-16 + Total alkalinity (eq/kg) = -2.253e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.005e-11 + Electrical balance (eq) = -1.095e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17123,22 +16908,21 @@ Reaction 1. Cl 1.500e+00 Cl- 1.500e+00 8.865e-01 0.176 -0.052 -0.228 19.14 HCl 7.744e-09 3.368e-08 -8.111 -7.473 0.638 (0) -H(0) 2.386e-16 - H2 1.193e-16 1.685e-16 -15.923 -15.773 0.150 28.61 +H(0) 3.319e-17 + H2 1.660e-17 2.344e-17 -16.780 -16.630 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 7.122e-18 1.006e-17 -17.147 -16.997 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.029 -60.879 0.150 30.40 + O2 0.000e+00 0.000e+00 -59.316 -59.166 0.150 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.67 -15.77 -3.10 H2 + H2(g) -13.53 -16.63 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.56 0.01 1.57 NaCl - O2(g) -57.99 -60.88 -2.89 O2 + O2(g) -56.27 -59.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17174,7 +16958,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 0.758 Adjusted to redox equilibrium + pe = -0.342 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117198 Density (g/cm³) = 1.05444 Volume (L) = 1.03161 @@ -17182,9 +16966,9 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.502e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.437e-16 + Total alkalinity (eq/kg) = 5.782e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.661e-13 + Electrical balance (eq) = 1.302e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -17201,22 +16985,21 @@ Reaction 1. Cl 1.502e+00 Cl- 1.502e+00 8.876e-01 0.177 -0.052 -0.228 19.14 HCl 7.739e-09 3.372e-08 -8.111 -7.472 0.639 (0) -H(0) 3.707e-19 - H2 1.854e-19 2.619e-19 -18.732 -18.582 0.150 28.61 +H(0) 5.898e-17 + H2 2.949e-17 4.167e-17 -16.530 -16.380 0.150 28.61 Na 1.502e+00 Na+ 1.502e+00 1.157e+00 0.177 0.063 -0.113 -0.06 - NaOH 7.129e-18 1.007e-17 -17.147 -16.997 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.412 -55.262 0.150 30.40 + O2 0.000e+00 0.000e+00 -59.815 -59.665 0.150 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.48 -18.58 -3.10 H2 + H2(g) -13.28 -16.38 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.56 0.01 1.57 NaCl - O2(g) -52.37 -55.26 -2.89 O2 + O2(g) -56.77 -59.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17252,7 +17035,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.608 Adjusted to redox equilibrium + pe = -0.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117624 Density (g/cm³) = 1.05469 Volume (L) = 1.03175 @@ -17260,11 +17043,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.509e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.892e-17 + Total alkalinity (eq/kg) = 1.744e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.380e-10 + Electrical balance (eq) = -1.559e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17279,22 +17062,21 @@ Reaction 1. Cl 1.509e+00 Cl- 1.509e+00 8.915e-01 0.179 -0.050 -0.229 19.14 HCl 7.721e-09 3.387e-08 -8.112 -7.470 0.642 (0) -H(0) 2.004e-16 - H2 1.002e-16 1.418e-16 -15.999 -15.848 0.151 28.61 +H(0) 6.249e-17 + H2 3.124e-17 4.422e-17 -16.505 -16.354 0.151 28.61 Na 1.509e+00 Na+ 1.509e+00 1.163e+00 0.179 0.066 -0.113 -0.06 - NaOH 7.154e-18 1.013e-17 -17.145 -16.995 0.151 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.880 -60.729 0.151 30.40 + O2 0.000e+00 0.000e+00 -59.868 -59.717 0.151 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.75 -15.85 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.55 0.02 1.57 NaCl - O2(g) -57.84 -60.73 -2.89 O2 + O2(g) -56.82 -59.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17330,7 +17112,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.357 Adjusted to redox equilibrium + pe = -0.597 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 121447 Density (g/cm³) = 1.05697 Volume (L) = 1.03304 @@ -17338,11 +17120,11 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.572e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.285e-17 + Total alkalinity (eq/kg) = 1.127e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.690e-09 + Electrical balance (eq) = -4.800e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17357,22 +17139,21 @@ Reaction 1. Cl 1.572e+00 Cl- 1.572e+00 9.268e-01 0.197 -0.033 -0.230 19.16 HCl 7.552e-09 3.526e-08 -8.122 -7.453 0.669 (0) -H(0) 6.227e-17 - H2 3.114e-17 4.472e-17 -16.507 -16.349 0.157 28.61 +H(0) 1.878e-16 + H2 9.389e-17 1.349e-16 -16.027 -15.870 0.157 28.61 Na 1.572e+00 Na+ 1.572e+00 1.222e+00 0.197 0.087 -0.110 -0.03 - NaOH 7.378e-18 1.060e-17 -17.132 -16.975 0.157 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.886 -59.729 0.157 30.40 + O2 0.000e+00 0.000e+00 -60.845 -60.687 0.157 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.25 -16.35 -3.10 H2 + H2(g) -12.77 -15.87 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.52 0.05 1.57 NaCl - O2(g) -56.84 -59.73 -2.89 O2 + O2(g) -57.80 -60.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17408,7 +17189,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.626 Adjusted to redox equilibrium + pe = -0.413 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 122214 Density (g/cm³) = 1.05744 Volume (L) = 1.03331 @@ -17416,11 +17197,11 @@ Reaction 1. Activity of water = 0.946 Ionic strength (mol/kgw) = 1.585e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.184e-16 + Total alkalinity (eq/kg) = 6.275e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.045e-08 + Electrical balance (eq) = -5.711e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17435,22 +17216,21 @@ Reaction 1. Cl 1.585e+00 Cl- 1.585e+00 9.340e-01 0.200 -0.030 -0.230 19.16 HCl 7.517e-09 3.554e-08 -8.124 -7.449 0.675 (0) -H(0) 2.144e-16 - H2 1.072e-16 1.544e-16 -15.970 -15.811 0.159 28.61 +H(0) 8.039e-17 + H2 4.019e-17 5.790e-17 -16.396 -16.237 0.159 28.61 Na 1.585e+00 Na+ 1.585e+00 1.234e+00 0.200 0.091 -0.109 -0.03 - NaOH 7.423e-18 1.069e-17 -17.129 -16.971 0.159 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.964 -60.806 0.159 30.40 + O2 0.000e+00 0.000e+00 -60.112 -59.954 0.159 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.71 -15.81 -3.10 H2 + H2(g) -13.14 -16.24 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.51 0.06 1.57 NaCl - O2(g) -57.91 -60.81 -2.89 O2 + O2(g) -57.06 -59.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17486,7 +17266,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.491 Adjusted to redox equilibrium + pe = -0.549 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 123077 Density (g/cm³) = 1.05796 Volume (L) = 1.03360 @@ -17494,11 +17274,11 @@ Reaction 1. Activity of water = 0.946 Ionic strength (mol/kgw) = 1.600e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.114e-16 + Total alkalinity (eq/kg) = -3.503e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.671e-11 + Electrical balance (eq) = -1.675e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17513,22 +17293,21 @@ Reaction 1. Cl 1.600e+00 Cl- 1.600e+00 9.422e-01 0.204 -0.026 -0.230 19.17 HCl 7.476e-09 3.586e-08 -8.126 -7.445 0.681 (0) -H(0) 1.148e-16 - H2 5.740e-17 8.297e-17 -16.241 -16.081 0.160 28.61 +H(0) 1.497e-16 + H2 7.487e-17 1.082e-16 -16.126 -15.966 0.160 28.61 Na 1.600e+00 Na+ 1.600e+00 1.247e+00 0.204 0.096 -0.108 -0.02 - NaOH 7.474e-18 1.080e-17 -17.126 -16.966 0.160 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.426 -60.266 0.160 30.40 + O2 0.000e+00 0.000e+00 -60.657 -60.497 0.160 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.98 -16.08 -3.10 H2 + H2(g) -12.86 -15.97 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.50 0.07 1.57 NaCl - O2(g) -57.37 -60.27 -2.89 O2 + O2(g) -57.60 -60.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17564,7 +17343,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = -0.121 Adjusted to redox equilibrium + pe = -0.346 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 126895 Density (g/cm³) = 1.06029 Volume (L) = 1.03494 @@ -17572,11 +17351,11 @@ Reaction 1. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.665e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.477e-17 + Total alkalinity (eq/kg) = 5.258e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.150e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Electrical balance (eq) = -3.454e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 44 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17591,22 +17370,21 @@ Reaction 1. Cl 1.665e+00 Cl- 1.665e+00 9.785e-01 0.222 -0.009 -0.231 19.19 HCl 7.292e-09 3.730e-08 -8.137 -7.428 0.709 (0) -H(0) 2.058e-17 - H2 1.029e-17 1.510e-17 -16.988 -16.821 0.167 28.61 +H(0) 5.805e-17 + H2 2.902e-17 4.259e-17 -16.537 -16.371 0.167 28.61 Na 1.665e+00 Na+ 1.665e+00 1.309e+00 0.222 0.117 -0.105 0.01 - NaOH 7.699e-18 1.130e-17 -17.114 -16.947 0.167 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.955 -58.789 0.167 30.40 + O2 0.000e+00 0.000e+00 -59.856 -59.689 0.167 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.27 -16.37 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.46 0.11 1.57 NaCl - O2(g) -55.90 -58.79 -2.89 O2 + O2(g) -56.80 -59.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17642,7 +17420,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = -0.640 Adjusted to redox equilibrium + pe = 0.056 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 127323 Density (g/cm³) = 1.06055 Volume (L) = 1.03509 @@ -17650,11 +17428,11 @@ Reaction 1. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.673e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.457e-17 + Total alkalinity (eq/kg) = -1.562e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.501e-11 + Electrical balance (eq) = -1.014e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17669,22 +17447,21 @@ Reaction 1. Cl 1.673e+00 Cl- 1.673e+00 9.827e-01 0.223 -0.008 -0.231 19.19 HCl 7.271e-09 3.746e-08 -8.138 -7.426 0.712 (0) -H(0) 2.246e-16 - H2 1.123e-16 1.651e-16 -15.950 -15.782 0.167 28.61 +H(0) 9.096e-18 + H2 4.548e-18 6.685e-18 -17.342 -17.175 0.167 28.61 Na 1.673e+00 Na+ 1.673e+00 1.316e+00 0.223 0.119 -0.104 0.01 - NaOH 7.724e-18 1.135e-17 -17.112 -16.945 0.167 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.034 -60.866 0.167 30.40 + O2 0.000e+00 0.000e+00 -58.248 -58.081 0.167 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.68 -15.78 -3.10 H2 + H2(g) -14.07 -17.17 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.46 0.11 1.57 NaCl - O2(g) -57.97 -60.87 -2.89 O2 + O2(g) -55.19 -58.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17720,7 +17497,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = -0.807 Adjusted to redox equilibrium + pe = -0.652 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 133539 Density (g/cm³) = 1.06443 Volume (L) = 1.03733 @@ -17728,9 +17505,9 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.782e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.599e-16 + Total alkalinity (eq/kg) = 6.126e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.549e-16 + Electrical balance (eq) = -6.330e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -17747,22 +17524,21 @@ Reaction 1. Cl 1.782e+00 Cl- 1.782e+00 1.044e+00 0.251 0.019 -0.232 19.23 HCl 6.950e-09 3.987e-08 -8.158 -7.399 0.759 (0) -H(0) 4.745e-16 - H2 2.373e-16 3.577e-16 -15.625 -15.447 0.178 28.61 +H(0) 2.326e-16 + H2 1.163e-16 1.753e-16 -15.934 -15.756 0.178 28.61 Na 1.782e+00 Na+ 1.782e+00 1.423e+00 0.251 0.153 -0.098 0.06 - NaOH 8.092e-18 1.220e-17 -17.092 -16.914 0.178 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.719 -61.541 0.178 30.40 + O2 0.000e+00 0.000e+00 -61.100 -60.922 0.178 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.35 -15.45 -3.10 H2 + H2(g) -12.66 -15.76 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.40 0.17 1.57 NaCl - O2(g) -58.65 -61.54 -2.89 O2 + O2(g) -58.03 -60.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17798,7 +17574,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = -0.491 Adjusted to redox equilibrium + pe = 1.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 134516 Density (g/cm³) = 1.06505 Volume (L) = 1.03770 @@ -17806,11 +17582,11 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.057e-16 + Total alkalinity (eq/kg) = -1.398e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.705e-10 + Electrical balance (eq) = -6.286e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17825,22 +17601,21 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 HCl 6.898e-09 4.025e-08 -8.161 -7.395 0.766 (0) -H(0) 1.101e-16 - H2 5.507e-17 8.336e-17 -16.259 -16.079 0.180 28.61 +H(0) 3.749e-20 + H2 1.875e-20 2.837e-20 -19.727 -19.547 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.150e-18 1.234e-17 -17.089 -16.909 0.180 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.457 -60.277 0.180 30.40 + O2 0.000e+00 0.000e+00 -53.521 -53.341 0.180 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.98 -16.08 -3.10 H2 + H2(g) -16.45 -19.55 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.39 0.18 1.57 NaCl - O2(g) -57.38 -60.28 -2.89 O2 + O2(g) -50.45 -53.34 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17876,7 +17651,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.696 Adjusted to redox equilibrium + pe = -0.713 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 139947 Density (g/cm³) = 1.06854 Volume (L) = 1.03975 @@ -17884,11 +17659,11 @@ Reaction 1. Activity of water = 0.935 Ionic strength (mol/kgw) = 1.900e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.369e-16 + Total alkalinity (eq/kg) = -1.982e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.322e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.803e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17903,22 +17678,21 @@ Reaction 1. Cl 1.900e+00 Cl- 1.899e+00 1.109e+00 0.279 0.045 -0.234 19.26 HCl 6.598e-09 4.245e-08 -8.181 -7.372 0.808 (0) -H(0) 2.787e-16 - H2 1.394e-16 2.158e-16 -15.856 -15.666 0.190 28.61 +H(0) 3.010e-16 + H2 1.505e-16 2.331e-16 -15.822 -15.632 0.190 28.61 Na 1.900e+00 Na+ 1.900e+00 1.540e+00 0.279 0.188 -0.091 0.10 - NaOH 8.475e-18 1.312e-17 -17.072 -16.882 0.190 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.296 -61.106 0.190 30.40 + O2 0.000e+00 0.000e+00 -61.363 -61.173 0.190 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.56 -15.67 -3.10 H2 + H2(g) -12.53 -15.63 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.34 0.23 1.57 NaCl - O2(g) -58.21 -61.11 -2.89 O2 + O2(g) -58.28 -61.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17954,7 +17728,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.647 Adjusted to redox equilibrium + pe = -0.186 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142025 Density (g/cm³) = 1.06990 Volume (L) = 1.04055 @@ -17962,11 +17736,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.938e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.137e-16 + Total alkalinity (eq/kg) = 1.624e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.475e-08 + Electrical balance (eq) = 2.810e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17981,22 +17755,21 @@ Reaction 1. Cl 1.938e+00 Cl- 1.938e+00 1.131e+00 0.287 0.053 -0.234 19.27 HCl 6.480e-09 4.331e-08 -8.188 -7.363 0.825 (0) -H(0) 2.201e-16 - H2 1.100e-16 1.719e-16 -15.958 -15.765 0.194 28.61 +H(0) 2.642e-17 + H2 1.321e-17 2.064e-17 -16.879 -16.685 0.194 28.61 Na 1.938e+00 Na+ 1.938e+00 1.580e+00 0.287 0.199 -0.089 0.12 - NaOH 8.600e-18 1.344e-17 -17.066 -16.872 0.194 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.104 -60.910 0.194 30.40 + O2 0.000e+00 0.000e+00 -59.263 -59.069 0.194 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.66 -15.76 -3.10 H2 + H2(g) -13.58 -16.69 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.32 0.25 1.57 NaCl - O2(g) -58.02 -60.91 -2.89 O2 + O2(g) -56.18 -59.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18032,7 +17805,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.481 Adjusted to redox equilibrium + pe = -0.062 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142639 Density (g/cm³) = 1.07030 Volume (L) = 1.04079 @@ -18040,11 +17813,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.950e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.335e-17 + Total alkalinity (eq/kg) = -8.115e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.771e-14 + Electrical balance (eq) = 6.355e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18059,22 +17832,21 @@ Reaction 1. Cl 1.950e+00 Cl- 1.950e+00 1.137e+00 0.290 0.056 -0.234 19.28 HCl 6.445e-09 4.356e-08 -8.191 -7.361 0.830 (0) -H(0) 1.022e-16 - H2 5.109e-17 8.005e-17 -16.292 -16.097 0.195 28.61 +H(0) 1.486e-17 + H2 7.430e-18 1.164e-17 -17.129 -16.934 0.195 28.61 Na 1.950e+00 Na+ 1.950e+00 1.592e+00 0.290 0.202 -0.088 0.12 - NaOH 8.637e-18 1.353e-17 -17.064 -16.869 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.441 -60.246 0.195 30.40 + O2 0.000e+00 0.000e+00 -58.767 -58.572 0.195 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.00 -16.10 -3.10 H2 + H2(g) -13.83 -16.93 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -57.35 -60.25 -2.89 O2 + O2(g) -55.68 -58.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18110,7 +17882,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.365 Adjusted to redox equilibrium + pe = -0.356 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142882 Density (g/cm³) = 1.07046 Volume (L) = 1.04089 @@ -18118,11 +17890,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.955e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.649e-18 + Total alkalinity (eq/kg) = -2.184e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.607e-14 + Electrical balance (eq) = 7.008e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 43 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18137,22 +17909,21 @@ Reaction 1. Cl 1.955e+00 Cl- 1.955e+00 1.140e+00 0.291 0.057 -0.234 19.28 HCl 6.431e-09 4.367e-08 -8.192 -7.360 0.832 (0) -H(0) 5.983e-17 - H2 2.991e-17 4.692e-17 -16.524 -16.329 0.195 28.61 +H(0) 5.745e-17 + H2 2.872e-17 4.505e-17 -16.542 -16.346 0.195 28.61 Na 1.955e+00 Na+ 1.955e+00 1.597e+00 0.291 0.203 -0.088 0.12 - NaOH 8.652e-18 1.357e-17 -17.063 -16.867 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.978 -59.782 0.195 30.40 + O2 0.000e+00 0.000e+00 -59.943 -59.747 0.195 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.23 -16.33 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -56.89 -59.78 -2.89 O2 + O2(g) -56.85 -59.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18188,7 +17959,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.437 Adjusted to redox equilibrium + pe = -0.367 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 143220 Density (g/cm³) = 1.07069 Volume (L) = 1.04102 @@ -18196,9 +17967,9 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.961e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.941e-17 + Total alkalinity (eq/kg) = 1.655e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.745e-14 + Electrical balance (eq) = 9.498e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -18215,22 +17986,21 @@ Reaction 1. Cl 1.961e+00 Cl- 1.961e+00 1.144e+00 0.292 0.058 -0.234 19.28 HCl 6.411e-09 4.381e-08 -8.193 -7.358 0.835 (0) -H(0) 8.323e-17 - H2 4.162e-17 6.537e-17 -16.381 -16.185 0.196 28.61 +H(0) 6.047e-17 + H2 3.023e-17 4.749e-17 -16.519 -16.323 0.196 28.61 Na 1.961e+00 Na+ 1.961e+00 1.603e+00 0.292 0.205 -0.087 0.13 - NaOH 8.672e-18 1.362e-17 -17.062 -16.866 0.196 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.267 -60.071 0.196 30.40 + O2 0.000e+00 0.000e+00 -59.989 -59.793 0.196 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.22 -16.32 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -57.18 -60.07 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18266,7 +18036,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.555 Adjusted to redox equilibrium + pe = 10.807 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 143430 Density (g/cm³) = 1.07083 Volume (L) = 1.04110 @@ -18274,11 +18044,11 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.965e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.324e-16 + Total alkalinity (eq/kg) = 1.380e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.696e-09 + Electrical balance (eq) = 6.923e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18293,22 +18063,21 @@ Reaction 1. Cl 1.965e+00 Cl- 1.965e+00 1.146e+00 0.293 0.059 -0.234 19.28 HCl 6.399e-09 4.390e-08 -8.194 -7.358 0.836 (0) -H(0) 1.435e-16 - H2 7.176e-17 1.128e-16 -16.144 -15.948 0.197 28.61 +H(0) 2.712e-39 + H2 1.356e-39 2.132e-39 -38.868 -38.671 0.197 28.61 Na 1.965e+00 Na+ 1.965e+00 1.607e+00 0.293 0.206 -0.087 0.13 - NaOH 8.685e-18 1.365e-17 -17.061 -16.865 0.197 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.741 -60.545 0.197 30.40 +O(0) 1.016e-15 + O2 5.081e-16 7.988e-16 -15.294 -15.098 0.197 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -35.57 -38.67 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.30 0.27 1.57 NaCl - O2(g) -57.65 -60.54 -2.89 O2 + O2(g) -12.21 -15.10 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18344,7 +18113,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.280 Adjusted to redox equilibrium + pe = 1.347 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 144897 Density (g/cm³) = 1.07180 Volume (L) = 1.04168 @@ -18352,11 +18121,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 1.993e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.432e-17 + Total alkalinity (eq/kg) = -4.116e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 31 + Electrical balance (eq) = 8.262e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 49 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18371,22 +18140,21 @@ Reaction 1. Cl 1.993e+00 Cl- 1.993e+00 1.162e+00 0.300 0.065 -0.234 19.29 HCl 6.314e-09 4.452e-08 -8.200 -7.351 0.848 (0) -H(0) 4.018e-17 - H2 2.009e-17 3.179e-17 -16.697 -16.498 0.199 28.61 +H(0) 2.241e-20 + H2 1.121e-20 1.773e-20 -19.951 -19.751 0.199 28.61 Na 1.993e+00 Na+ 1.993e+00 1.637e+00 0.300 0.214 -0.086 0.14 - NaOH 8.773e-18 1.388e-17 -17.057 -16.858 0.199 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.645 -59.445 0.199 30.40 + O2 0.000e+00 0.000e+00 -53.138 -52.938 0.199 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -16.65 -19.75 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.55 -59.45 -2.89 O2 + O2(g) -50.05 -52.94 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18422,7 +18190,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.251 Adjusted to redox equilibrium + pe = -0.602 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 144949 Density (g/cm³) = 1.07183 Volume (L) = 1.04171 @@ -18430,11 +18198,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 1.994e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.562e-18 + Total alkalinity (eq/kg) = 1.767e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.939e-10 + Electrical balance (eq) = 1.709e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18449,22 +18217,21 @@ Reaction 1. Cl 1.994e+00 Cl- 1.994e+00 1.162e+00 0.300 0.065 -0.234 19.29 HCl 6.311e-09 4.454e-08 -8.200 -7.351 0.849 (0) -H(0) 3.510e-17 - H2 1.755e-17 2.777e-17 -16.756 -16.556 0.199 28.61 +H(0) 1.767e-16 + H2 8.837e-17 1.399e-16 -16.054 -15.854 0.199 28.61 Na 1.994e+00 Na+ 1.994e+00 1.638e+00 0.300 0.214 -0.085 0.14 - NaOH 8.776e-18 1.389e-17 -17.057 -16.857 0.199 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.528 -59.328 0.199 30.40 + O2 0.000e+00 0.000e+00 -60.932 -60.732 0.199 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.46 -16.56 -3.10 H2 + H2(g) -12.75 -15.85 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.44 -59.33 -2.89 O2 + O2(g) -57.84 -60.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18500,7 +18267,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -18508,9 +18275,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -18527,22 +18294,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18578,7 +18344,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -18586,9 +18352,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -18605,22 +18371,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18656,7 +18421,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -18664,9 +18429,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -18683,22 +18448,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18734,7 +18498,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -18742,9 +18506,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -18761,22 +18525,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18812,7 +18575,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -18820,9 +18583,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -18839,22 +18602,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18890,7 +18652,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 11.117 Adjusted to redox equilibrium + pe = -0.787 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145314 Density (g/cm³) = 1.07208 Volume (L) = 1.04185 @@ -18898,11 +18660,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.001e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.927e-17 + Total alkalinity (eq/kg) = 6.500e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.217e-14 + Electrical balance (eq) = 1.185e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18917,22 +18679,21 @@ Reaction 1. Cl 2.001e+00 Cl- 2.001e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.289e-09 4.469e-08 -8.201 -7.350 0.852 (0) -H(0) 6.463e-40 - H2 3.231e-40 5.122e-40 -39.491 -39.291 0.200 28.61 +H(0) 4.140e-16 + H2 2.070e-16 3.282e-16 -15.684 -15.484 0.200 28.61 Na 2.001e+00 Na+ 2.001e+00 1.645e+00 0.301 0.216 -0.085 0.14 - NaOH 8.799e-18 1.395e-17 -17.056 -16.855 0.200 (0) -O(0) 1.741e-14 - O2 8.704e-15 1.380e-14 -14.060 -13.860 0.200 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.674 -61.473 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.19 -39.29 -3.10 H2 + H2(g) -12.38 -15.48 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -10.97 -13.86 -2.89 O2 + O2(g) -58.58 -61.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18968,7 +18729,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.866 Adjusted to redox equilibrium + pe = -0.747 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145438 Density (g/cm³) = 1.07216 Volume (L) = 1.04190 @@ -18976,9 +18737,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.832e-16 + Total alkalinity (eq/kg) = 2.575e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.930e-11 + Electrical balance (eq) = 1.197e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -18995,22 +18756,21 @@ Reaction 1. Cl 2.003e+00 Cl- 2.003e+00 1.167e+00 0.302 0.067 -0.235 19.29 HCl 6.282e-09 4.475e-08 -8.202 -7.349 0.853 (0) -H(0) 5.956e-16 - H2 2.978e-16 4.724e-16 -15.526 -15.326 0.200 28.61 +H(0) 3.454e-16 + H2 1.727e-16 2.739e-16 -15.763 -15.562 0.200 28.61 Na 2.003e+00 Na+ 2.003e+00 1.648e+00 0.302 0.217 -0.085 0.14 - NaOH 8.806e-18 1.397e-17 -17.055 -16.855 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.990 -61.790 0.200 30.40 + O2 0.000e+00 0.000e+00 -61.517 -61.317 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.22 -15.33 -3.10 H2 + H2(g) -12.46 -15.56 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -58.90 -61.79 -2.89 O2 + O2(g) -58.42 -61.32 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19046,7 +18806,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.573 Adjusted to redox equilibrium + pe = -0.553 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 148574 Density (g/cm³) = 1.07427 Volume (L) = 1.04317 @@ -19054,11 +18814,11 @@ Reaction 1. Activity of water = 0.930 Ionic strength (mol/kgw) = 2.064e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.106e-16 + Total alkalinity (eq/kg) = 1.360e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.722e-14 + Electrical balance (eq) = 2.090e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19073,22 +18833,21 @@ Reaction 1. Cl 2.064e+00 Cl- 2.064e+00 1.202e+00 0.315 0.080 -0.235 19.31 HCl 6.097e-09 4.610e-08 -8.215 -7.336 0.879 (0) -H(0) 1.527e-16 - H2 7.634e-17 1.228e-16 -16.117 -15.911 0.206 28.61 +H(0) 1.396e-16 + H2 6.978e-17 1.122e-16 -16.156 -15.950 0.206 28.61 Na 2.064e+00 Na+ 2.064e+00 1.712e+00 0.315 0.234 -0.081 0.16 - NaOH 8.997e-18 1.447e-17 -17.046 -16.839 0.206 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.828 -60.622 0.206 30.40 + O2 0.000e+00 0.000e+00 -60.750 -60.544 0.206 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.81 -15.91 -3.10 H2 + H2(g) -12.85 -15.95 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.26 0.31 1.57 NaCl - O2(g) -57.73 -60.62 -2.89 O2 + O2(g) -57.65 -60.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19124,7 +18883,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.612 Adjusted to redox equilibrium + pe = -0.882 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 149823 Density (g/cm³) = 1.07512 Volume (L) = 1.04368 @@ -19132,10 +18891,10 @@ Reaction 1. Activity of water = 0.929 Ionic strength (mol/kgw) = 2.089e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.476e-16 + Total alkalinity (eq/kg) = 2.629e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.691e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.851e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19151,22 +18910,21 @@ Reaction 1. Cl 2.089e+00 Cl- 2.089e+00 1.216e+00 0.320 0.085 -0.235 19.32 HCl 6.022e-09 4.664e-08 -8.220 -7.331 0.889 (0) -H(0) 1.817e-16 - H2 9.084e-17 1.469e-16 -16.042 -15.833 0.209 28.61 +H(0) 6.308e-16 + H2 3.154e-16 5.102e-16 -15.501 -15.292 0.209 28.61 Na 2.089e+00 Na+ 2.089e+00 1.739e+00 0.320 0.240 -0.080 0.17 - NaOH 9.073e-18 1.468e-17 -17.042 -16.833 0.209 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.987 -60.778 0.209 30.40 + O2 0.000e+00 0.000e+00 -62.068 -61.860 0.209 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -12.19 -15.29 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.25 0.32 1.57 NaCl - O2(g) -57.89 -60.78 -2.89 O2 + O2(g) -58.97 -61.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19202,7 +18960,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.554 Adjusted to redox equilibrium + pe = -0.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 157841 Density (g/cm³) = 1.08071 Volume (L) = 1.04709 @@ -19210,11 +18968,11 @@ Reaction 1. Activity of water = 0.923 Ionic strength (mol/kgw) = 2.252e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.549e-17 + Total alkalinity (eq/kg) = 1.263e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.505e-13 + Electrical balance (eq) = 7.205e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19229,22 +18987,21 @@ Reaction 1. Cl 2.252e+00 Cl- 2.252e+00 1.307e+00 0.353 0.116 -0.236 19.36 HCl 5.533e-09 5.027e-08 -8.257 -7.299 0.958 (0) -H(0) 1.348e-16 - H2 6.741e-17 1.132e-16 -16.171 -15.946 0.225 28.61 +H(0) 1.275e-16 + H2 6.373e-17 1.070e-16 -16.196 -15.970 0.225 28.61 Na 2.252e+00 Na+ 2.252e+00 1.919e+00 0.353 0.283 -0.070 0.23 - NaOH 9.567e-18 1.607e-17 -17.019 -16.794 0.225 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.782 -60.557 0.225 30.40 + O2 0.000e+00 0.000e+00 -60.733 -60.508 0.225 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -12.87 -15.97 -3.10 H2 H2O(g) -1.54 -0.03 1.50 H2O Halite -1.17 0.40 1.57 NaCl - O2(g) -57.66 -60.56 -2.89 O2 + O2(g) -57.62 -60.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19280,7 +19037,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = 11.510 Adjusted to redox equilibrium + pe = -1.035 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 160869 Density (g/cm³) = 1.08288 Volume (L) = 1.04843 @@ -19288,11 +19045,11 @@ Reaction 1. Activity of water = 0.921 Ionic strength (mol/kgw) = 2.316e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.030e-16 + Total alkalinity (eq/kg) = 1.282e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.866e-09 + Electrical balance (eq) = 9.401e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19307,22 +19064,21 @@ Reaction 1. Cl 2.316e+00 Cl- 2.316e+00 1.344e+00 0.365 0.128 -0.236 19.38 HCl 5.345e-09 5.169e-08 -8.272 -7.287 0.986 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.305 -40.073 0.232 28.61 +H(0) 1.219e-15 + H2 6.093e-16 1.038e-15 -15.215 -14.984 0.232 28.61 Na 2.316e+00 Na+ 2.316e+00 1.992e+00 0.365 0.299 -0.065 0.26 - NaOH 9.756e-18 1.663e-17 -17.011 -16.779 0.232 (0) -O(0) 5.817e-13 - O2 2.909e-13 4.958e-13 -12.536 -12.305 0.232 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.716 -62.484 0.232 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.97 -40.07 -3.10 H2 + H2(g) -11.88 -14.98 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.14 0.43 1.57 NaCl - O2(g) -9.41 -12.30 -2.89 O2 + O2(g) -59.59 -62.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19358,7 +19114,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.915 Adjusted to redox equilibrium + pe = -0.873 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 163241 Density (g/cm³) = 1.08461 Volume (L) = 1.04951 @@ -19366,11 +19122,11 @@ Reaction 1. Activity of water = 0.920 Ionic strength (mol/kgw) = 2.367e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.550e-16 + Total alkalinity (eq/kg) = 1.468e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.698e-10 + Electrical balance (eq) = 2.330e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19385,22 +19141,21 @@ Reaction 1. Cl 2.367e+00 Cl- 2.367e+00 1.373e+00 0.374 0.138 -0.237 19.39 HCl 5.196e-09 5.284e-08 -8.284 -7.277 1.007 (0) -H(0) 6.942e-16 - H2 3.471e-16 5.986e-16 -15.460 -15.223 0.237 28.61 +H(0) 5.707e-16 + H2 2.854e-16 4.921e-16 -15.545 -15.308 0.237 28.61 Na 2.367e+00 Na+ 2.367e+00 2.051e+00 0.374 0.312 -0.062 0.27 - NaOH 9.905e-18 1.708e-17 -17.004 -16.767 0.237 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.244 -62.007 0.237 30.40 + O2 0.000e+00 0.000e+00 -62.074 -61.837 0.237 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.12 -15.22 -3.10 H2 + H2(g) -12.21 -15.31 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.12 0.45 1.57 NaCl - O2(g) -59.11 -62.01 -2.89 O2 + O2(g) -58.94 -61.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19436,7 +19191,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.205 Adjusted to redox equilibrium + pe = 0.184 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 164641 Density (g/cm³) = 1.08565 Volume (L) = 1.05015 @@ -19444,11 +19199,11 @@ Reaction 1. Activity of water = 0.918 Ionic strength (mol/kgw) = 2.397e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.766e-16 + Total alkalinity (eq/kg) = -1.065e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.714e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Electrical balance (eq) = 5.553e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19463,22 +19218,21 @@ Reaction 1. Cl 2.397e+00 Cl- 2.397e+00 1.390e+00 0.380 0.143 -0.237 19.40 HCl 5.109e-09 5.352e-08 -8.292 -7.271 1.020 (0) -H(0) 2.619e-17 - H2 1.309e-17 2.274e-17 -16.883 -16.643 0.240 28.61 +H(0) 4.373e-18 + H2 2.187e-18 3.797e-18 -17.660 -17.421 0.240 28.61 Na 2.397e+00 Na+ 2.397e+00 2.087e+00 0.380 0.319 -0.060 0.28 - NaOH 9.994e-18 1.736e-17 -17.000 -16.761 0.240 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.407 -59.167 0.240 30.40 + O2 0.000e+00 0.000e+00 -57.852 -57.613 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -14.32 -17.42 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.11 0.46 1.57 NaCl - O2(g) -56.27 -59.17 -2.89 O2 + O2(g) -54.72 -57.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19514,7 +19268,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.474 Adjusted to redox equilibrium + pe = -0.594 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 165974 Density (g/cm³) = 1.08664 Volume (L) = 1.05077 @@ -19522,11 +19276,11 @@ Reaction 1. Activity of water = 0.918 Ionic strength (mol/kgw) = 2.426e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.382e-16 + Total alkalinity (eq/kg) = -5.502e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.203e-11 + Electrical balance (eq) = 4.346e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19541,22 +19295,21 @@ Reaction 1. Cl 2.426e+00 Cl- 2.426e+00 1.407e+00 0.385 0.148 -0.237 19.41 HCl 5.025e-09 5.418e-08 -8.299 -7.266 1.033 (0) -H(0) 8.963e-17 - H2 4.482e-17 7.836e-17 -16.349 -16.106 0.243 28.61 +H(0) 1.563e-16 + H2 7.814e-17 1.366e-16 -16.107 -15.864 0.243 28.61 Na 2.426e+00 Na+ 2.426e+00 2.121e+00 0.385 0.327 -0.058 0.29 - NaOH 1.008e-17 1.762e-17 -16.997 -16.754 0.243 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.486 -60.243 0.243 30.40 + O2 0.000e+00 0.000e+00 -60.968 -60.726 0.243 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.00 -16.11 -3.10 H2 + H2(g) -12.76 -15.86 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.10 0.47 1.57 NaCl - O2(g) -57.35 -60.24 -2.89 O2 + O2(g) -57.83 -60.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19592,7 +19345,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.646 Adjusted to redox equilibrium + pe = 11.082 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 168075 Density (g/cm³) = 1.08821 Volume (L) = 1.05177 @@ -19600,11 +19353,11 @@ Reaction 1. Activity of water = 0.916 Ionic strength (mol/kgw) = 2.473e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.584e-16 + Total alkalinity (eq/kg) = -1.554e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.276e-10 + Electrical balance (eq) = 4.233e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19619,22 +19372,21 @@ Reaction 1. Cl 2.473e+00 Cl- 2.473e+00 1.433e+00 0.393 0.156 -0.237 19.42 HCl 4.892e-09 5.523e-08 -8.310 -7.258 1.053 (0) -H(0) 1.961e-16 - H2 9.803e-17 1.733e-16 -16.009 -15.761 0.247 28.61 +H(0) 6.885e-40 + H2 3.443e-40 6.084e-40 -39.463 -39.216 0.247 28.61 Na 2.473e+00 Na+ 2.473e+00 2.178e+00 0.393 0.338 -0.055 0.31 - NaOH 1.021e-17 1.805e-17 -16.991 -16.744 0.247 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.181 -60.934 0.247 30.40 +O(0) 1.069e-14 + O2 5.345e-15 9.447e-15 -14.272 -14.025 0.247 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.66 -15.76 -3.10 H2 + H2(g) -36.11 -39.22 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.08 0.49 1.57 NaCl - O2(g) -58.04 -60.93 -2.89 O2 + O2(g) -11.13 -14.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19670,7 +19422,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -19678,11 +19430,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19697,22 +19449,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19748,7 +19499,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -19756,11 +19507,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19775,22 +19526,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19826,7 +19576,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -19834,11 +19584,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19853,22 +19603,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19904,7 +19653,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.267 Adjusted to redox equilibrium + pe = -0.403 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169867 Density (g/cm³) = 1.08958 Volume (L) = 1.05263 @@ -19912,11 +19661,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.514e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.711e-16 + Total alkalinity (eq/kg) = 5.813e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.488e-12 + Electrical balance (eq) = 3.278e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19931,22 +19680,21 @@ Reaction 1. Cl 2.514e+00 Cl- 2.514e+00 1.457e+00 0.400 0.163 -0.237 19.43 HCl 4.779e-09 5.614e-08 -8.321 -7.251 1.070 (0) -H(0) 2.904e-38 - H2 1.452e-38 2.590e-38 -37.838 -37.587 0.251 28.61 +H(0) 6.349e-17 + H2 3.174e-17 5.663e-17 -16.498 -16.247 0.251 28.61 Na 2.514e+00 Na+ 2.514e+00 2.227e+00 0.400 0.348 -0.053 0.32 - NaOH 1.033e-17 1.842e-17 -16.986 -16.735 0.251 (0) -O(0) 5.827e-18 - O2 2.914e-18 5.198e-18 -17.536 -17.284 0.251 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.215 -59.964 0.251 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.49 -37.59 -3.10 H2 + H2(g) -13.15 -16.25 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -14.39 -17.28 -2.89 O2 + O2(g) -57.07 -59.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19982,7 +19730,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -1.191 Adjusted to redox equilibrium + pe = 0.078 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 178526 Density (g/cm³) = 1.09639 Volume (L) = 1.05699 @@ -19990,11 +19738,11 @@ Reaction 1. Activity of water = 0.908 Ionic strength (mol/kgw) = 2.719e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.178e-17 + Total alkalinity (eq/kg) = -2.135e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.922e-10 + Electrical balance (eq) = 3.750e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20009,22 +19757,21 @@ Reaction 1. Cl 2.719e+00 Cl- 2.719e+00 1.574e+00 0.434 0.197 -0.237 19.48 HCl 4.232e-09 6.076e-08 -8.373 -7.216 1.157 (0) -H(0) 2.290e-15 - H2 1.145e-15 2.141e-15 -14.941 -14.669 0.272 28.61 +H(0) 6.629e-18 + H2 3.314e-18 6.198e-18 -17.480 -17.208 0.272 28.61 Na 2.719e+00 Na+ 2.719e+00 2.485e+00 0.434 0.395 -0.039 0.39 - NaOH 1.089e-17 2.037e-17 -16.963 -16.691 0.272 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.397 -63.125 0.272 30.40 + O2 0.000e+00 0.000e+00 -58.321 -58.049 0.272 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.57 -14.67 -3.10 H2 + H2(g) -14.11 -17.21 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -0.98 0.59 1.57 NaCl - O2(g) -60.23 -63.13 -2.89 O2 + O2(g) -55.16 -58.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20060,7 +19807,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.749 Adjusted to redox equilibrium + pe = -0.691 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 180301 Density (g/cm³) = 1.09784 Volume (L) = 1.05793 @@ -20068,11 +19815,11 @@ Reaction 1. Activity of water = 0.906 Ionic strength (mol/kgw) = 2.762e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.928e-16 + Total alkalinity (eq/kg) = 1.183e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.789e-09 + Electrical balance (eq) = 4.927e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20087,22 +19834,21 @@ Reaction 1. Cl 2.762e+00 Cl- 2.762e+00 1.599e+00 0.441 0.204 -0.237 19.49 HCl 4.120e-09 6.175e-08 -8.385 -7.209 1.176 (0) -H(0) 2.963e-16 - H2 1.482e-16 2.799e-16 -15.829 -15.553 0.276 28.61 +H(0) 2.271e-16 + H2 1.136e-16 2.145e-16 -15.945 -15.669 0.276 28.61 Na 2.762e+00 Na+ 2.762e+00 2.542e+00 0.441 0.405 -0.036 0.41 - NaOH 1.101e-17 2.080e-17 -16.958 -16.682 0.276 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.636 -61.360 0.276 30.40 + O2 0.000e+00 0.000e+00 -61.405 -61.129 0.276 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.45 -15.55 -3.10 H2 + H2(g) -12.57 -15.67 -3.10 H2 H2O(g) -1.55 -0.04 1.50 H2O Halite -0.96 0.61 1.57 NaCl - O2(g) -58.47 -61.36 -2.89 O2 + O2(g) -58.24 -61.13 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20138,7 +19884,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.550 Adjusted to redox equilibrium + pe = -0.974 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 182257 Density (g/cm³) = 1.09946 Volume (L) = 1.05899 @@ -20146,11 +19892,11 @@ Reaction 1. Activity of water = 0.904 Ionic strength (mol/kgw) = 2.812e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.957e-16 + Total alkalinity (eq/kg) = 4.354e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.362e-15 + Electrical balance (eq) = 1.387e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20165,22 +19911,21 @@ Reaction 1. Cl 2.812e+00 Cl- 2.812e+00 1.628e+00 0.449 0.212 -0.237 19.50 HCl 3.997e-09 6.286e-08 -8.398 -7.202 1.197 (0) -H(0) 1.174e-16 - H2 5.869e-17 1.121e-16 -16.231 -15.950 0.281 28.61 +H(0) 8.278e-16 + H2 4.139e-16 7.908e-16 -15.383 -15.102 0.281 28.61 Na 2.812e+00 Na+ 2.812e+00 2.607e+00 0.449 0.416 -0.033 0.42 - NaOH 1.114e-17 2.129e-17 -16.953 -16.672 0.281 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.848 -60.567 0.281 30.40 + O2 0.000e+00 0.000e+00 -62.545 -62.263 0.281 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -12.00 -15.10 -3.10 H2 H2O(g) -1.55 -0.04 1.50 H2O Halite -0.94 0.63 1.57 NaCl - O2(g) -57.67 -60.57 -2.89 O2 + O2(g) -59.37 -62.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20216,7 +19961,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.739 Adjusted to redox equilibrium + pe = -0.809 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 185635 Density (g/cm³) = 1.10231 Volume (L) = 1.06086 @@ -20224,11 +19969,11 @@ Reaction 1. Activity of water = 0.901 Ionic strength (mol/kgw) = 2.899e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.746e-16 + Total alkalinity (eq/kg) = 3.645e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.396e-09 + Electrical balance (eq) = 1.207e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20243,22 +19988,21 @@ Reaction 1. Cl 2.899e+00 Cl- 2.899e+00 1.678e+00 0.462 0.225 -0.237 19.52 HCl 3.786e-09 6.483e-08 -8.422 -7.188 1.234 (0) -H(0) 2.746e-16 - H2 1.373e-16 2.677e-16 -15.862 -15.572 0.290 28.61 +H(0) 3.795e-16 + H2 1.898e-16 3.699e-16 -15.722 -15.432 0.290 28.61 Na 2.899e+00 Na+ 2.899e+00 2.724e+00 0.462 0.435 -0.027 0.45 - NaOH 1.137e-17 2.217e-17 -16.944 -16.654 0.290 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.615 -61.325 0.290 30.40 + O2 0.000e+00 0.000e+00 -61.896 -61.606 0.290 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.47 -15.57 -3.10 H2 + H2(g) -12.33 -15.43 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.91 0.66 1.57 NaCl - O2(g) -58.43 -61.33 -2.89 O2 + O2(g) -58.71 -61.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20294,7 +20038,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.073 Adjusted to redox equilibrium + pe = 0.052 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 186813 Density (g/cm³) = 1.10333 Volume (L) = 1.06153 @@ -20302,11 +20046,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.806e-16 + Total alkalinity (eq/kg) = -1.963e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.509e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Electrical balance (eq) = -4.400e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20321,22 +20065,21 @@ Reaction 1. Cl 2.930e+00 Cl- 2.930e+00 1.696e+00 0.467 0.230 -0.237 19.53 HCl 3.712e-09 6.554e-08 -8.430 -7.184 1.247 (0) -H(0) 1.268e-17 - H2 6.339e-18 1.245e-17 -17.198 -16.905 0.293 28.61 +H(0) 7.129e-18 + H2 3.564e-18 6.997e-18 -17.448 -17.155 0.293 28.61 Na 2.930e+00 Na+ 2.930e+00 2.767e+00 0.467 0.442 -0.025 0.46 - NaOH 1.145e-17 2.249e-17 -16.941 -16.648 0.293 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.954 -58.661 0.293 30.40 + O2 0.000e+00 0.000e+00 -58.454 -58.161 0.293 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -14.05 -17.16 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.90 0.67 1.57 NaCl - O2(g) -55.77 -58.66 -2.89 O2 + O2(g) -55.27 -58.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20372,7 +20115,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.710 Adjusted to redox equilibrium + pe = 10.075 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 187224 Density (g/cm³) = 1.10368 Volume (L) = 1.06177 @@ -20380,11 +20123,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.941e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.598e-17 + Total alkalinity (eq/kg) = 2.478e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.399e-11 + Electrical balance (eq) = 9.025e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 36 + Iterations = 46 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20399,22 +20142,21 @@ Reaction 1. Cl 2.941e+00 Cl- 2.940e+00 1.703e+00 0.468 0.231 -0.237 19.53 HCl 3.687e-09 6.579e-08 -8.433 -7.182 1.251 (0) -H(0) 3.437e-39 - H2 1.719e-39 3.382e-39 -38.765 -38.471 0.294 28.61 +H(0) 6.405e-38 + H2 3.202e-38 6.303e-38 -37.495 -37.200 0.294 28.61 Na 2.941e+00 Na+ 2.941e+00 2.782e+00 0.468 0.444 -0.024 0.46 - NaOH 1.148e-17 2.260e-17 -16.940 -16.646 0.294 (0) -O(0) 2.999e-16 - O2 1.500e-16 2.952e-16 -15.824 -15.530 0.294 30.40 +O(0) 8.638e-19 + O2 4.319e-19 8.500e-19 -18.365 -18.071 0.294 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.37 -38.47 -3.10 H2 + H2(g) -34.10 -37.20 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.89 0.68 1.57 NaCl - O2(g) -12.64 -15.53 -2.89 O2 + O2(g) -15.18 -18.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20450,7 +20192,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 0.328 Adjusted to redox equilibrium + pe = -0.098 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 187634 Density (g/cm³) = 1.10404 Volume (L) = 1.06200 @@ -20458,11 +20200,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.951e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.453e-16 + Total alkalinity (eq/kg) = -2.256e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.691e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 1.591e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20477,22 +20219,21 @@ Reaction 1. Cl 2.951e+00 Cl- 2.951e+00 1.709e+00 0.470 0.233 -0.237 19.54 HCl 3.661e-09 6.604e-08 -8.436 -7.180 1.256 (0) -H(0) 1.996e-18 - H2 9.982e-19 1.970e-18 -18.001 -17.706 0.295 28.61 +H(0) 1.419e-17 + H2 7.094e-18 1.400e-17 -17.149 -16.854 0.295 28.61 Na 2.951e+00 Na+ 2.951e+00 2.797e+00 0.470 0.447 -0.023 0.47 - NaOH 1.151e-17 2.271e-17 -16.939 -16.644 0.295 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.356 -57.061 0.295 30.40 + O2 0.000e+00 0.000e+00 -59.059 -58.764 0.295 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.60 -17.71 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.89 0.68 1.57 NaCl - O2(g) -54.17 -57.06 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20528,7 +20269,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.575 Adjusted to redox equilibrium + pe = -0.894 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 188830 Density (g/cm³) = 1.10508 Volume (L) = 1.06270 @@ -20536,11 +20277,11 @@ Reaction 1. Activity of water = 0.899 Ionic strength (mol/kgw) = 2.984e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.530e-16 + Total alkalinity (eq/kg) = 2.079e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.699e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Electrical balance (eq) = -2.410e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20555,22 +20296,21 @@ Reaction 1. Cl 2.984e+00 Cl- 2.984e+00 1.728e+00 0.475 0.238 -0.237 19.54 HCl 3.587e-09 6.677e-08 -8.445 -7.175 1.270 (0) -H(0) 6.333e-39 - H2 3.167e-39 6.294e-39 -38.499 -38.201 0.298 28.61 +H(0) 5.498e-16 + H2 2.749e-16 5.464e-16 -15.561 -15.262 0.298 28.61 Na 2.984e+00 Na+ 2.984e+00 2.842e+00 0.475 0.454 -0.021 0.48 - NaOH 1.159e-17 2.304e-17 -16.936 -16.637 0.298 (0) -O(0) 8.548e-17 - O2 4.274e-17 8.496e-17 -16.369 -16.071 0.298 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.246 -61.948 0.298 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.10 -38.20 -3.10 H2 + H2(g) -12.16 -15.26 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.88 0.69 1.57 NaCl - O2(g) -13.18 -16.07 -2.89 O2 + O2(g) -59.06 -61.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20606,7 +20346,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -20614,11 +20354,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20633,22 +20373,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20684,7 +20423,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -20692,11 +20431,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20711,22 +20450,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20762,7 +20500,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -20770,11 +20508,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20789,22 +20527,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20840,7 +20577,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -20848,11 +20585,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20867,22 +20604,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20918,7 +20654,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.731 Adjusted to redox equilibrium + pe = -0.383 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 190280 Density (g/cm³) = 1.10636 Volume (L) = 1.06355 @@ -20926,11 +20662,11 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.023e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.317e-16 + Total alkalinity (eq/kg) = 4.687e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.647e-13 + Electrical balance (eq) = 3.690e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 25 + Iterations = 38 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20945,22 +20681,21 @@ Reaction 1. Cl 3.023e+00 Cl- 3.023e+00 1.751e+00 0.480 0.243 -0.237 19.55 HCl 3.498e-09 6.766e-08 -8.456 -7.170 1.287 (0) -H(0) 3.061e-39 - H2 1.531e-39 3.070e-39 -38.815 -38.513 0.302 28.61 +H(0) 5.188e-17 + H2 2.594e-17 5.203e-17 -16.586 -16.284 0.302 28.61 Na 3.023e+00 Na+ 3.023e+00 2.898e+00 0.480 0.462 -0.018 0.49 - NaOH 1.169e-17 2.346e-17 -16.932 -16.630 0.302 (0) -O(0) 3.550e-16 - O2 1.775e-16 3.560e-16 -15.751 -15.449 0.302 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.209 -59.907 0.302 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.41 -38.51 -3.10 H2 + H2(g) -13.18 -16.28 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -12.56 -15.45 -2.89 O2 + O2(g) -57.01 -59.91 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20996,7 +20731,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.468 Adjusted to redox equilibrium + pe = 10.448 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 190295 Density (g/cm³) = 1.10638 Volume (L) = 1.06356 @@ -21004,11 +20739,11 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.023e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.875e-17 + Total alkalinity (eq/kg) = 1.949e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.136e-08 + Electrical balance (eq) = 1.311e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 28 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21023,22 +20758,21 @@ Reaction 1. Cl 3.023e+00 Cl- 3.023e+00 1.751e+00 0.480 0.243 -0.237 19.55 HCl 3.497e-09 6.767e-08 -8.456 -7.170 1.287 (0) -H(0) 7.653e-17 - H2 3.826e-17 7.676e-17 -16.417 -16.115 0.302 28.61 +H(0) 1.127e-38 + H2 5.635e-39 1.130e-38 -38.249 -37.947 0.302 28.61 Na 3.023e+00 Na+ 3.023e+00 2.898e+00 0.480 0.462 -0.018 0.49 - NaOH 1.170e-17 2.346e-17 -16.932 -16.630 0.302 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.547 -60.244 0.302 30.40 +O(0) 2.618e-17 + O2 1.309e-17 2.626e-17 -16.883 -16.581 0.302 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.01 -16.11 -3.10 H2 + H2(g) -34.85 -37.95 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -57.35 -60.24 -2.89 O2 + O2(g) -13.69 -16.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21074,7 +20808,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.609 Adjusted to redox equilibrium + pe = -0.556 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 191257 Density (g/cm³) = 1.10723 Volume (L) = 1.06413 @@ -21082,11 +20816,11 @@ Reaction 1. Activity of water = 0.896 Ionic strength (mol/kgw) = 3.050e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.084e-18 + Total alkalinity (eq/kg) = 7.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.335e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.303e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21101,22 +20835,21 @@ Reaction 1. Cl 3.050e+00 Cl- 3.050e+00 1.767e+00 0.484 0.247 -0.237 19.56 HCl 3.437e-09 6.828e-08 -8.464 -7.166 1.298 (0) -H(0) 1.461e-16 - H2 7.307e-17 1.475e-16 -16.136 -15.831 0.305 28.61 +H(0) 1.141e-16 + H2 5.704e-17 1.151e-16 -16.244 -15.939 0.305 28.61 Na 3.050e+00 Na+ 3.050e+00 2.936e+00 0.484 0.468 -0.017 0.50 - NaOH 1.176e-17 2.374e-17 -16.929 -16.624 0.305 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.118 -60.813 0.305 30.40 + O2 0.000e+00 0.000e+00 -60.902 -60.597 0.305 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -12.84 -15.94 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -57.92 -60.81 -2.89 O2 + O2(g) -57.71 -60.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21152,7 +20885,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.704 Adjusted to redox equilibrium + pe = -0.495 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 192833 Density (g/cm³) = 1.10866 Volume (L) = 1.06509 @@ -21160,11 +20893,11 @@ Reaction 1. Activity of water = 0.895 Ionic strength (mol/kgw) = 3.094e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.201e-16 + Total alkalinity (eq/kg) = -6.188e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.500e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Electrical balance (eq) = 3.340e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21179,22 +20912,21 @@ Reaction 1. Cl 3.094e+00 Cl- 3.094e+00 1.793e+00 0.491 0.253 -0.237 19.57 HCl 3.341e-09 6.928e-08 -8.476 -7.159 1.317 (0) -H(0) 2.235e-16 - H2 1.117e-16 2.278e-16 -15.952 -15.642 0.309 28.61 +H(0) 8.536e-17 + H2 4.268e-17 8.702e-17 -16.370 -16.060 0.309 28.61 Na 3.094e+00 Na+ 3.094e+00 2.999e+00 0.491 0.477 -0.014 0.51 - NaOH 1.187e-17 2.421e-17 -16.925 -16.616 0.309 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.501 -61.192 0.309 30.40 + O2 0.000e+00 0.000e+00 -60.665 -60.356 0.309 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.54 -15.64 -3.10 H2 + H2(g) -12.96 -16.06 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.84 0.73 1.57 NaCl - O2(g) -58.30 -61.19 -2.89 O2 + O2(g) -57.46 -60.36 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21230,7 +20962,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.151 Adjusted to redox equilibrium + pe = -0.011 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 197369 Density (g/cm³) = 1.11286 Volume (L) = 1.06794 @@ -21238,11 +20970,11 @@ Reaction 1. Activity of water = 0.890 Ionic strength (mol/kgw) = 3.225e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.000e-17 + Total alkalinity (eq/kg) = 4.295e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.915e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Electrical balance (eq) = 5.426e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21257,22 +20989,21 @@ Reaction 1. Cl 3.225e+00 Cl- 3.225e+00 1.870e+00 0.509 0.272 -0.237 19.60 HCl 3.065e-09 7.228e-08 -8.514 -7.141 1.373 (0) -H(0) 1.702e-17 - H2 8.509e-18 1.788e-17 -17.070 -16.748 0.322 28.61 +H(0) 8.909e-18 + H2 4.455e-18 9.361e-18 -17.351 -17.029 0.322 28.61 Na 3.225e+00 Na+ 3.225e+00 3.192e+00 0.509 0.504 -0.004 0.55 - NaOH 1.220e-17 2.564e-17 -16.914 -16.591 0.322 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.308 -58.986 0.322 30.40 + O2 0.000e+00 0.000e+00 -58.746 -58.423 0.322 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.93 -17.03 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.79 0.78 1.57 NaCl - O2(g) -56.09 -58.99 -2.89 O2 + O2(g) -55.53 -58.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21308,7 +21039,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.514 Adjusted to redox equilibrium + pe = -0.497 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 198476 Density (g/cm³) = 1.11392 Volume (L) = 1.06866 @@ -21316,11 +21047,11 @@ Reaction 1. Activity of water = 0.889 Ionic strength (mol/kgw) = 3.258e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.652e-17 + Total alkalinity (eq/kg) = 2.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.412e-12 + Electrical balance (eq) = 7.748e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21335,22 +21066,21 @@ Reaction 1. Cl 3.258e+00 Cl- 3.258e+00 1.889e+00 0.513 0.276 -0.237 19.61 HCl 2.999e-09 7.303e-08 -8.523 -7.136 1.387 (0) -H(0) 8.981e-17 - H2 4.490e-17 9.508e-17 -16.348 -16.022 0.326 28.61 +H(0) 8.309e-17 + H2 4.155e-17 8.797e-17 -16.381 -16.056 0.326 28.61 Na 3.258e+00 Na+ 3.258e+00 3.242e+00 0.513 0.511 -0.002 0.56 - NaOH 1.228e-17 2.600e-17 -16.911 -16.585 0.326 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.764 -60.438 0.326 30.40 + O2 0.000e+00 0.000e+00 -60.696 -60.371 0.326 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.92 -16.02 -3.10 H2 + H2(g) -12.95 -16.06 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.78 0.79 1.57 NaCl - O2(g) -57.55 -60.44 -2.89 O2 + O2(g) -57.48 -60.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21386,7 +21116,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.591 Adjusted to redox equilibrium + pe = -1.189 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 204085 Density (g/cm³) = 1.11945 Volume (L) = 1.07248 @@ -21394,11 +21124,11 @@ Reaction 1. Activity of water = 0.883 Ionic strength (mol/kgw) = 3.432e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.530e-17 + Total alkalinity (eq/kg) = 2.625e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.524e-16 + Electrical balance (eq) = 1.152e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 45 + Iterations = 37 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21413,22 +21143,21 @@ Reaction 1. Cl 3.432e+00 Cl- 3.432e+00 1.993e+00 0.536 0.299 -0.236 19.64 HCl 2.667e-09 7.703e-08 -8.574 -7.113 1.461 (0) -H(0) 1.232e-16 - H2 6.159e-17 1.357e-16 -16.211 -15.867 0.343 28.61 +H(0) 1.929e-15 + H2 9.646e-16 2.126e-15 -15.016 -14.672 0.343 28.61 Na 3.432e+00 Na+ 3.432e+00 3.513e+00 0.536 0.546 0.010 0.61 - NaOH 1.270e-17 2.799e-17 -16.896 -16.553 0.343 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.096 -60.753 0.343 30.40 + O2 0.000e+00 0.000e+00 -63.486 -63.143 0.343 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.77 -15.87 -3.10 H2 + H2(g) -11.57 -14.67 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.72 0.85 1.57 NaCl - O2(g) -57.86 -60.75 -2.89 O2 + O2(g) -60.25 -63.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21458,13 +21187,13 @@ Reaction 1. Elements Molality Moles - Cl 3.487e+00 3.487e+00 + Cl 3.487e+00 3.486e+00 Na 3.487e+00 3.487e+00 ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.455 Adjusted to redox equilibrium + pe = -0.870 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 205758 Density (g/cm³) = 1.12116 Volume (L) = 1.07367 @@ -21472,11 +21201,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.463e-16 + Total alkalinity (eq/kg) = 2.669e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.126e-10 + Electrical balance (eq) = 3.864e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 32 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21491,22 +21220,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 2.025e+00 0.542 0.307 -0.236 19.65 HCl 2.569e-09 7.828e-08 -8.590 -7.106 1.484 (0) -H(0) 6.482e-17 - H2 3.241e-17 7.233e-17 -16.489 -16.141 0.349 28.61 +H(0) 4.393e-16 + H2 2.197e-16 4.902e-16 -15.658 -15.310 0.349 28.61 Na 3.487e+00 Na+ 3.487e+00 3.601e+00 0.542 0.556 0.014 0.63 - NaOH 1.283e-17 2.863e-17 -16.892 -16.543 0.349 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.557 -60.208 0.349 30.40 + O2 0.000e+00 0.000e+00 -62.219 -61.870 0.349 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.04 -16.14 -3.10 H2 + H2(g) -12.21 -15.31 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.71 0.86 1.57 NaCl - O2(g) -57.32 -60.21 -2.89 O2 + O2(g) -58.98 -61.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21542,7 +21270,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.822 Adjusted to redox equilibrium + pe = -0.840 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 205776 Density (g/cm³) = 1.12118 Volume (L) = 1.07369 @@ -21550,11 +21278,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.428e-17 + Total alkalinity (eq/kg) = 3.009e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.119e-13 + Electrical balance (eq) = 1.190e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 46 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21569,22 +21297,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 2.026e+00 0.542 0.307 -0.236 19.65 HCl 2.568e-09 7.830e-08 -8.590 -7.106 1.484 (0) -H(0) 1.816e-39 - H2 9.080e-40 2.027e-39 -39.042 -38.693 0.349 28.61 +H(0) 3.817e-16 + H2 1.908e-16 4.260e-16 -15.719 -15.371 0.349 28.61 Na 3.487e+00 Na+ 3.487e+00 3.602e+00 0.542 0.557 0.014 0.63 - NaOH 1.283e-17 2.864e-17 -16.892 -16.543 0.349 (0) -O(0) 7.065e-16 - O2 3.533e-16 7.885e-16 -15.452 -15.103 0.349 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.097 -61.748 0.349 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.59 -38.69 -3.10 H2 + H2(g) -12.27 -15.37 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.71 0.86 1.57 NaCl - O2(g) -12.21 -15.10 -2.89 O2 + O2(g) -58.86 -61.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21620,7 +21347,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -1.000 Adjusted to redox equilibrium + pe = -0.525 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 206168 Density (g/cm³) = 1.12159 Volume (L) = 1.07397 @@ -21628,11 +21355,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.962e-16 + Total alkalinity (eq/kg) = -5.922e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.786e-11 + Electrical balance (eq) = -4.197e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 63 + Iterations = 49 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21647,22 +21374,21 @@ Reaction 1. Cl 3.500e+00 Cl- 3.500e+00 2.033e+00 0.544 0.308 -0.236 19.66 HCl 2.546e-09 7.859e-08 -8.594 -7.105 1.490 (0) -H(0) 7.970e-16 - H2 3.985e-16 8.922e-16 -15.400 -15.050 0.350 28.61 +H(0) 8.929e-17 + H2 4.464e-17 9.994e-17 -16.350 -16.000 0.350 28.61 Na 3.500e+00 Na+ 3.500e+00 3.623e+00 0.544 0.559 0.015 0.63 - NaOH 1.286e-17 2.879e-17 -16.891 -16.541 0.350 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.741 -62.391 0.350 30.40 + O2 0.000e+00 0.000e+00 -60.840 -60.490 0.350 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.95 -15.05 -3.10 H2 + H2(g) -12.90 -16.00 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.70 0.87 1.57 NaCl - O2(g) -59.50 -62.39 -2.89 O2 + O2(g) -57.60 -60.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21698,7 +21424,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.650 Adjusted to redox equilibrium + pe = 11.037 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 207204 Density (g/cm³) = 1.12267 Volume (L) = 1.07473 @@ -21706,11 +21432,11 @@ Reaction 1. Activity of water = 0.880 Ionic strength (mol/kgw) = 3.535e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.066e-16 + Total alkalinity (eq/kg) = 1.952e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.491e-13 + Electrical balance (eq) = 2.684e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21725,22 +21451,21 @@ Reaction 1. Cl 3.535e+00 Cl- 3.535e+00 2.054e+00 0.548 0.313 -0.236 19.66 HCl 2.486e-09 7.939e-08 -8.605 -7.100 1.504 (0) -H(0) 1.575e-16 - H2 7.877e-17 1.778e-16 -16.104 -15.750 0.353 28.61 +H(0) 6.657e-40 + H2 3.329e-40 7.511e-40 -39.478 -39.124 0.353 28.61 Na 3.535e+00 Na+ 3.535e+00 3.679e+00 0.548 0.566 0.017 0.64 - NaOH 1.294e-17 2.920e-17 -16.888 -16.535 0.353 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.344 -60.991 0.353 30.40 +O(0) 5.069e-15 + O2 2.535e-15 5.720e-15 -14.596 -14.243 0.353 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.65 -15.75 -3.10 H2 + H2(g) -36.02 -39.12 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.69 0.88 1.57 NaCl - O2(g) -58.10 -60.99 -2.89 O2 + O2(g) -11.35 -14.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21776,7 +21501,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 0.721 Adjusted to redox equilibrium + pe = 11.158 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 207360 Density (g/cm³) = 1.12283 Volume (L) = 1.07485 @@ -21784,11 +21509,11 @@ Reaction 1. Activity of water = 0.880 Ionic strength (mol/kgw) = 3.540e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.214e-16 + Total alkalinity (eq/kg) = -1.231e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.264e-12 + Electrical balance (eq) = -5.416e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21803,22 +21528,21 @@ Reaction 1. Cl 3.540e+00 Cl- 3.540e+00 2.057e+00 0.549 0.313 -0.236 19.67 HCl 2.477e-09 7.951e-08 -8.606 -7.100 1.507 (0) -H(0) 2.856e-19 - H2 1.428e-19 3.226e-19 -18.845 -18.491 0.354 28.61 +H(0) 3.819e-40 + H2 1.910e-40 4.314e-40 -39.719 -39.365 0.354 28.61 Na 3.540e+00 Na+ 3.540e+00 3.688e+00 0.549 0.567 0.018 0.64 - NaOH 1.295e-17 2.927e-17 -16.888 -16.534 0.354 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.863 -55.509 0.354 30.40 +O(0) 1.534e-14 + O2 7.671e-15 1.733e-14 -14.115 -13.761 0.354 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.39 -18.49 -3.10 H2 + H2(g) -36.26 -39.37 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.69 0.88 1.57 NaCl - O2(g) -52.62 -55.51 -2.89 O2 + O2(g) -10.87 -13.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21854,7 +21578,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.878 Adjusted to redox equilibrium + pe = 10.546 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 210855 Density (g/cm³) = 1.12659 Volume (L) = 1.07751 @@ -21862,11 +21586,11 @@ Reaction 1. Activity of water = 0.876 Ionic strength (mol/kgw) = 3.660e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.206e-16 + Total alkalinity (eq/kg) = 5.365e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.105e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Electrical balance (eq) = -2.237e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21881,22 +21605,21 @@ Reaction 1. Cl 3.660e+00 Cl- 3.660e+00 2.130e+00 0.564 0.328 -0.235 19.69 HCl 2.278e-09 8.229e-08 -8.642 -7.085 1.558 (0) -H(0) 4.364e-16 - H2 2.182e-16 5.069e-16 -15.661 -15.295 0.366 28.61 +H(0) 6.204e-39 + H2 3.102e-39 7.206e-39 -38.508 -38.142 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.564 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.271 -61.905 0.366 30.40 +O(0) 5.299e-17 + O2 2.650e-17 6.155e-17 -16.577 -16.211 0.366 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.19 -15.30 -3.10 H2 + H2(g) -35.04 -38.14 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -59.01 -61.91 -2.89 O2 + O2(g) -13.32 -16.21 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21932,7 +21655,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.830 Adjusted to redox equilibrium + pe = -0.021 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 211234 Density (g/cm³) = 1.12701 Volume (L) = 1.07780 @@ -21940,11 +21663,11 @@ Reaction 1. Activity of water = 0.875 Ionic strength (mol/kgw) = 3.674e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.833e-16 + Total alkalinity (eq/kg) = -1.005e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.874e-11 + Electrical balance (eq) = 1.366e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21959,22 +21682,21 @@ Reaction 1. Cl 3.674e+00 Cl- 3.674e+00 2.138e+00 0.565 0.330 -0.235 19.69 HCl 2.257e-09 8.260e-08 -8.646 -7.083 1.563 (0) -H(0) 1.676e-39 - H2 8.378e-40 1.952e-39 -39.077 -38.709 0.367 28.61 +H(0) 8.406e-18 + H2 4.203e-18 9.793e-18 -17.376 -17.009 0.367 28.61 Na 3.674e+00 Na+ 3.674e+00 3.912e+00 0.565 0.592 0.027 0.68 - NaOH 1.326e-17 3.090e-17 -16.877 -16.510 0.367 (0) -O(0) 7.190e-16 - O2 3.595e-16 8.377e-16 -15.444 -15.077 0.367 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -58.845 -58.478 0.367 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.61 -38.71 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -12.18 -15.08 -2.89 O2 + O2(g) -55.59 -58.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22010,7 +21732,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.639 Adjusted to redox equilibrium + pe = -0.755 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 211450 Density (g/cm³) = 1.12725 Volume (L) = 1.07797 @@ -22018,11 +21740,11 @@ Reaction 1. Activity of water = 0.875 Ionic strength (mol/kgw) = 3.681e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.343e-16 + Total alkalinity (eq/kg) = -1.206e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.192e-13 + Electrical balance (eq) = 2.303e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22037,22 +21759,21 @@ Reaction 1. Cl 3.681e+00 Cl- 3.681e+00 2.143e+00 0.566 0.331 -0.235 19.69 HCl 2.245e-09 8.278e-08 -8.649 -7.082 1.567 (0) -H(0) 4.025e-39 - H2 2.013e-39 4.698e-39 -38.696 -38.328 0.368 28.61 +H(0) 2.473e-16 + H2 1.237e-16 2.887e-16 -15.908 -15.540 0.368 28.61 Na 3.681e+00 Na+ 3.681e+00 3.925e+00 0.566 0.594 0.028 0.68 - NaOH 1.328e-17 3.099e-17 -16.877 -16.509 0.368 (0) -O(0) 1.239e-16 - O2 6.194e-17 1.446e-16 -16.208 -15.840 0.368 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.785 -61.417 0.368 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.23 -38.33 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -12.95 -15.84 -2.89 O2 + O2(g) -58.52 -61.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22088,7 +21809,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.789 Adjusted to redox equilibrium + pe = -0.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 218432 Density (g/cm³) = 1.13536 Volume (L) = 1.08383 @@ -22096,11 +21817,11 @@ Reaction 1. Activity of water = 0.866 Ionic strength (mol/kgw) = 3.945e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.922e-17 + Total alkalinity (eq/kg) = 5.841e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.951e-15 + Electrical balance (eq) = 1.318e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 + Iterations = 73 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22115,22 +21836,21 @@ Reaction 1. Cl 3.945e+00 Cl- 3.945e+00 2.303e+00 0.596 0.362 -0.234 19.75 HCl 1.862e-09 8.889e-08 -8.730 -7.051 1.679 (0) -H(0) 1.889e-39 - H2 9.447e-40 2.343e-39 -39.025 -38.630 0.394 28.61 +H(0) 8.702e-17 + H2 4.351e-17 1.079e-16 -16.361 -15.967 0.394 28.61 Na 3.945e+00 Na+ 3.945e+00 4.394e+00 0.596 0.643 0.047 0.75 - NaOH 1.386e-17 3.437e-17 -16.858 -16.464 0.394 (0) -O(0) 4.591e-16 - O2 2.296e-16 5.693e-16 -15.639 -15.245 0.394 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.966 -60.571 0.394 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.53 -38.63 -3.10 H2 + H2(g) -12.87 -15.97 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.56 1.01 1.57 NaCl - O2(g) -12.35 -15.24 -2.89 O2 + O2(g) -57.68 -60.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22166,7 +21886,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.590 Adjusted to redox equilibrium + pe = 10.752 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219487 Density (g/cm³) = 1.13666 Volume (L) = 1.08478 @@ -22174,11 +21894,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 3.987e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.040e-17 + Total alkalinity (eq/kg) = -1.191e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.757e-08 + Electrical balance (eq) = 5.269e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22193,22 +21913,21 @@ Reaction 1. Cl 3.987e+00 Cl- 3.987e+00 2.329e+00 0.601 0.367 -0.233 19.76 HCl 1.806e-09 8.988e-08 -8.743 -7.046 1.697 (0) -H(0) 4.692e-39 - H2 2.346e-39 5.876e-39 -38.630 -38.231 0.399 28.61 +H(0) 2.219e-39 + H2 1.109e-39 2.779e-39 -38.955 -38.556 0.399 28.61 Na 3.987e+00 Na+ 3.987e+00 4.473e+00 0.601 0.651 0.050 0.76 - NaOH 1.395e-17 3.494e-17 -16.855 -16.457 0.399 (0) -O(0) 7.205e-17 - O2 3.603e-17 9.023e-17 -16.443 -16.045 0.399 30.40 +O(0) 3.222e-16 + O2 1.611e-16 4.035e-16 -15.793 -15.394 0.399 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.13 -38.23 -3.10 H2 + H2(g) -35.46 -38.56 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -13.15 -16.04 -2.89 O2 + O2(g) -12.50 -15.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22244,7 +21963,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 11.491 Adjusted to redox equilibrium + pe = 10.738 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219798 Density (g/cm³) = 1.13705 Volume (L) = 1.08507 @@ -22252,11 +21971,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.620e-16 + Total alkalinity (eq/kg) = -3.094e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.652e-11 + Electrical balance (eq) = 2.407e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22271,22 +21990,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.337e+00 0.602 0.369 -0.233 19.76 HCl 1.789e-09 9.018e-08 -8.747 -7.045 1.702 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.434 -40.034 0.400 28.61 +H(0) 2.368e-39 + H2 1.184e-39 2.974e-39 -38.927 -38.527 0.400 28.61 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 1.398e-17 3.511e-17 -16.855 -16.455 0.400 (0) -O(0) 2.893e-13 - O2 1.446e-13 3.633e-13 -12.840 -12.440 0.400 30.40 +O(0) 2.802e-16 + O2 1.401e-16 3.519e-16 -15.854 -15.454 0.400 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.93 -40.03 -3.10 H2 + H2(g) -35.43 -38.53 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -9.55 -12.44 -2.89 O2 + O2(g) -12.56 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22322,7 +22040,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 11.491 Adjusted to redox equilibrium + pe = 10.738 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219798 Density (g/cm³) = 1.13705 Volume (L) = 1.08507 @@ -22330,11 +22048,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.620e-16 + Total alkalinity (eq/kg) = -3.094e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.652e-11 + Electrical balance (eq) = 2.407e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22349,22 +22067,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.337e+00 0.602 0.369 -0.233 19.76 HCl 1.789e-09 9.018e-08 -8.747 -7.045 1.702 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.434 -40.034 0.400 28.61 +H(0) 2.368e-39 + H2 1.184e-39 2.974e-39 -38.927 -38.527 0.400 28.61 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 1.398e-17 3.511e-17 -16.855 -16.455 0.400 (0) -O(0) 2.893e-13 - O2 1.446e-13 3.633e-13 -12.840 -12.440 0.400 30.40 +O(0) 2.802e-16 + O2 1.401e-16 3.519e-16 -15.854 -15.454 0.400 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.93 -40.03 -3.10 H2 + H2(g) -35.43 -38.53 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -9.55 -12.44 -2.89 O2 + O2(g) -12.56 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22400,7 +22117,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.146 Adjusted to redox equilibrium + pe = 10.622 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 221017 Density (g/cm³) = 1.13858 Volume (L) = 1.08620 @@ -22408,11 +22125,11 @@ Reaction 1. Activity of water = 0.862 Ionic strength (mol/kgw) = 4.051e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.369e-17 + Total alkalinity (eq/kg) = -1.851e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.734e-09 + Electrical balance (eq) = 6.474e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 74 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22427,22 +22144,21 @@ Reaction 1. Cl 4.051e+00 Cl- 4.051e+00 2.368e+00 0.608 0.374 -0.233 19.77 HCl 1.725e-09 9.136e-08 -8.763 -7.039 1.724 (0) -H(0) 3.566e-38 - H2 1.783e-38 4.531e-38 -37.749 -37.344 0.405 28.61 +H(0) 3.980e-39 + H2 1.990e-39 5.057e-39 -38.701 -38.296 0.405 28.61 Na 4.051e+00 Na+ 4.051e+00 4.592e+00 0.608 0.662 0.055 0.78 - NaOH 1.409e-17 3.580e-17 -16.851 -16.446 0.405 (0) -O(0) 1.188e-18 - O2 5.940e-19 1.509e-18 -18.226 -17.821 0.405 30.40 +O(0) 9.537e-17 + O2 4.769e-17 1.212e-16 -16.322 -15.917 0.405 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.24 -37.34 -3.10 H2 + H2(g) -35.19 -38.30 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.53 1.04 1.57 NaCl - O2(g) -14.93 -17.82 -2.89 O2 + O2(g) -13.02 -15.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22478,7 +22194,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -1.319 Adjusted to redox equilibrium + pe = 10.630 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 224855 Density (g/cm³) = 1.14363 Volume (L) = 1.08996 @@ -22486,11 +22202,11 @@ Reaction 1. Activity of water = 0.857 Ionic strength (mol/kgw) = 4.218e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.453e-16 + Total alkalinity (eq/kg) = -1.940e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.772e-11 + Electrical balance (eq) = 1.230e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22505,22 +22221,21 @@ Reaction 1. Cl 4.218e+00 Cl- 4.218e+00 2.472e+00 0.625 0.393 -0.232 19.80 HCl 1.527e-09 9.526e-08 -8.816 -7.021 1.795 (0) -H(0) 2.909e-15 - H2 1.454e-15 3.841e-15 -14.837 -14.416 0.422 28.61 +H(0) 3.694e-39 + H2 1.847e-39 4.879e-39 -38.733 -38.312 0.422 28.61 Na 4.218e+00 Na+ 4.218e+00 4.918e+00 0.625 0.692 0.067 0.83 - NaOH 1.443e-17 3.812e-17 -16.841 -16.419 0.422 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.105 -63.683 0.422 30.40 +O(0) 9.732e-17 + O2 4.866e-17 1.285e-16 -16.313 -15.891 0.422 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.31 -14.42 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.49 1.08 1.57 NaCl - O2(g) -60.79 -63.68 -2.89 O2 + O2(g) -13.00 -15.89 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22556,7 +22271,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.860 Adjusted to redox equilibrium + pe = 10.677 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 227465 Density (g/cm³) = 1.14727 Volume (L) = 1.09270 @@ -22564,11 +22279,11 @@ Reaction 1. Activity of water = 0.852 Ionic strength (mol/kgw) = 4.340e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.499e-16 + Total alkalinity (eq/kg) = -4.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.700e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 54 + Electrical balance (eq) = -4.240e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22583,22 +22298,21 @@ Reaction 1. Cl 4.340e+00 Cl- 4.340e+00 2.548e+00 0.637 0.406 -0.231 19.82 HCl 1.396e-09 9.812e-08 -8.855 -7.008 1.847 (0) -H(0) 3.417e-16 - H2 1.709e-16 4.641e-16 -15.767 -15.333 0.434 28.61 +H(0) 2.885e-39 + H2 1.443e-39 3.919e-39 -38.841 -38.407 0.434 28.61 Na 4.340e+00 Na+ 4.340e+00 5.166e+00 0.637 0.713 0.076 0.86 - NaOH 1.468e-17 3.988e-17 -16.833 -16.399 0.434 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.286 -61.852 0.434 30.40 +O(0) 1.452e-16 + O2 7.262e-17 1.973e-16 -16.139 -15.705 0.434 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -35.31 -38.41 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.45 1.12 1.57 NaCl - O2(g) -58.96 -61.85 -2.89 O2 + O2(g) -12.81 -15.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22634,7 +22348,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.293 Adjusted to redox equilibrium + pe = 11.613 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 229645 Density (g/cm³) = 1.15046 Volume (L) = 1.09514 @@ -22642,11 +22356,11 @@ Reaction 1. Activity of water = 0.849 Ionic strength (mol/kgw) = 4.447e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.179e-16 + Total alkalinity (eq/kg) = 7.426e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.261e-15 + Electrical balance (eq) = 1.913e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22661,22 +22375,21 @@ Reaction 1. Cl 4.447e+00 Cl- 4.447e+00 2.616e+00 0.648 0.418 -0.230 19.84 HCl 1.288e-09 1.006e-07 -8.890 -6.997 1.893 (0) -H(0) 2.443e-15 - H2 1.222e-15 3.402e-15 -14.913 -14.468 0.445 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.725 -40.281 0.445 28.61 Na 4.447e+00 Na+ 4.447e+00 5.391e+00 0.648 0.732 0.084 0.88 - NaOH 1.490e-17 4.147e-17 -16.827 -16.382 0.445 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.030 -63.586 0.445 30.40 +O(0) 7.856e-13 + O2 3.928e-13 1.094e-12 -12.406 -11.961 0.445 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.37 -14.47 -3.10 H2 + H2(g) -37.18 -40.28 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.42 1.15 1.57 NaCl - O2(g) -60.69 -63.59 -2.89 O2 + O2(g) -9.07 -11.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22712,7 +22425,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.159 Adjusted to redox equilibrium + pe = 10.009 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 230671 Density (g/cm³) = 1.15201 Volume (L) = 1.09633 @@ -22720,11 +22433,11 @@ Reaction 1. Activity of water = 0.847 Ionic strength (mol/kgw) = 4.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.461e-16 + Total alkalinity (eq/kg) = 2.516e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.158e-09 + Electrical balance (eq) = 9.316e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22739,22 +22452,21 @@ Reaction 1. Cl 4.500e+00 Cl- 4.500e+00 2.650e+00 0.653 0.423 -0.230 19.85 HCl 1.239e-09 1.019e-07 -8.907 -6.992 1.915 (0) -H(0) 1.300e-15 - H2 6.502e-16 1.833e-15 -15.187 -14.737 0.450 28.61 +H(0) 5.994e-38 + H2 2.997e-38 8.446e-38 -37.523 -37.073 0.450 28.61 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 1.500e-17 4.227e-17 -16.824 -16.374 0.450 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.050 0.450 30.40 +O(0) 2.975e-19 + O2 1.487e-19 4.192e-19 -18.828 -18.378 0.450 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -33.97 -37.07 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.41 1.16 1.57 NaCl - O2(g) -60.16 -63.05 -2.89 O2 + O2(g) -15.49 -18.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22790,7 +22502,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.159 Adjusted to redox equilibrium + pe = 10.009 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 230671 Density (g/cm³) = 1.15201 Volume (L) = 1.09633 @@ -22798,11 +22510,11 @@ Reaction 1. Activity of water = 0.847 Ionic strength (mol/kgw) = 4.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.461e-16 + Total alkalinity (eq/kg) = 2.516e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.158e-09 + Electrical balance (eq) = 9.316e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22817,22 +22529,21 @@ Reaction 1. Cl 4.500e+00 Cl- 4.500e+00 2.650e+00 0.653 0.423 -0.230 19.85 HCl 1.239e-09 1.019e-07 -8.907 -6.992 1.915 (0) -H(0) 1.300e-15 - H2 6.502e-16 1.833e-15 -15.187 -14.737 0.450 28.61 +H(0) 5.994e-38 + H2 2.997e-38 8.446e-38 -37.523 -37.073 0.450 28.61 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 1.500e-17 4.227e-17 -16.824 -16.374 0.450 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.050 0.450 30.40 +O(0) 2.975e-19 + O2 1.487e-19 4.192e-19 -18.828 -18.378 0.450 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -33.97 -37.07 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.41 1.16 1.57 NaCl - O2(g) -60.16 -63.05 -2.89 O2 + O2(g) -15.49 -18.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22868,7 +22579,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.776 Adjusted to redox equilibrium + pe = -0.710 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 232171 Density (g/cm³) = 1.15436 Volume (L) = 1.09815 @@ -22876,11 +22587,11 @@ Reaction 1. Activity of water = 0.844 Ionic strength (mol/kgw) = 4.580e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.735e-17 + Total alkalinity (eq/kg) = -6.846e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.217e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Electrical balance (eq) = -1.250e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22895,22 +22606,21 @@ Reaction 1. Cl 4.580e+00 Cl- 4.580e+00 2.700e+00 0.661 0.431 -0.229 19.86 HCl 1.167e-09 1.038e-07 -8.933 -6.984 1.949 (0) -H(0) 2.187e-16 - H2 1.093e-16 3.139e-16 -15.961 -15.503 0.458 28.61 +H(0) 1.616e-16 + H2 8.081e-17 2.320e-16 -16.093 -15.635 0.458 28.61 Na 4.580e+00 Na+ 4.580e+00 5.678e+00 0.661 0.754 0.093 0.92 - NaOH 1.515e-17 4.350e-17 -16.820 -16.362 0.458 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.979 -61.521 0.458 30.40 + O2 0.000e+00 0.000e+00 -61.716 -61.258 0.458 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.40 -15.50 -3.10 H2 + H2(g) -12.53 -15.63 -3.10 H2 H2O(g) -1.58 -0.07 1.50 H2O Halite -0.38 1.19 1.57 NaCl - O2(g) -58.63 -61.52 -2.89 O2 + O2(g) -58.37 -61.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22946,7 +22656,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = 10.911 Adjusted to redox equilibrium + pe = 11.159 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 233208 Density (g/cm³) = 1.15603 Volume (L) = 1.09944 @@ -22954,11 +22664,11 @@ Reaction 1. Activity of water = 0.842 Ionic strength (mol/kgw) = 4.637e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.402e-16 + Total alkalinity (eq/kg) = -3.846e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.673e-15 + Electrical balance (eq) = 7.990e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 38 + Iterations = 62 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22973,22 +22683,21 @@ Reaction 1. Cl 4.637e+00 Cl- 4.637e+00 2.737e+00 0.666 0.437 -0.229 19.87 HCl 1.117e-09 1.051e-07 -8.952 -6.978 1.973 (0) -H(0) 9.118e-40 - H2 4.559e-40 1.326e-39 -39.341 -38.877 0.464 28.61 +H(0) 2.905e-40 + H2 1.453e-40 4.225e-40 -39.838 -39.374 0.464 28.61 Na 4.637e+00 Na+ 4.637e+00 5.805e+00 0.666 0.764 0.098 0.93 - NaOH 1.526e-17 4.439e-17 -16.816 -16.353 0.464 (0) -O(0) 1.157e-15 - O2 5.783e-16 1.682e-15 -15.238 -14.774 0.464 30.40 +O(0) 1.139e-14 + O2 5.697e-15 1.657e-14 -14.244 -13.781 0.464 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -36.27 -39.37 -3.10 H2 H2O(g) -1.58 -0.07 1.50 H2O Halite -0.37 1.20 1.57 NaCl - O2(g) -11.88 -14.77 -2.89 O2 + O2(g) -10.89 -13.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23024,7 +22733,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 0.588 Adjusted to redox equilibrium + pe = 10.625 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238047 Density (g/cm³) = 1.16448 Volume (L) = 1.10612 @@ -23032,11 +22741,11 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.929e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.484e-16 + Total alkalinity (eq/kg) = 6.623e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.166e-08 + Electrical balance (eq) = 1.264e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23051,22 +22760,21 @@ Reaction 1. Cl 4.929e+00 Cl- 4.929e+00 2.925e+00 0.693 0.466 -0.227 19.92 HCl 8.946e-10 1.120e-07 -9.048 -6.951 2.098 (0) -H(0) 3.744e-19 - H2 1.872e-19 5.824e-19 -18.728 -18.235 0.493 28.61 +H(0) 3.158e-39 + H2 1.579e-39 4.912e-39 -38.802 -38.309 0.493 28.61 Na 4.929e+00 Na+ 4.929e+00 6.488e+00 0.693 0.812 0.119 1.00 - NaOH 1.580e-17 4.916e-17 -16.801 -16.308 0.493 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.563 -56.070 0.493 30.40 +O(0) 7.698e-17 + O2 3.849e-17 1.197e-16 -16.415 -15.922 0.493 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.13 -18.23 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.29 1.28 1.57 NaCl - O2(g) -53.18 -56.07 -2.89 O2 + O2(g) -13.03 -15.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23102,7 +22810,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.911 Adjusted to redox equilibrium + pe = 10.492 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238070 Density (g/cm³) = 1.16452 Volume (L) = 1.10616 @@ -23110,11 +22818,11 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.246e-16 + Total alkalinity (eq/kg) = 1.255e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.243e-10 + Electrical balance (eq) = 2.385e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23129,22 +22837,21 @@ Reaction 1. Cl 4.930e+00 Cl- 4.930e+00 2.926e+00 0.693 0.466 -0.227 19.93 HCl 8.936e-10 1.121e-07 -9.049 -6.951 2.098 (0) -H(0) 3.739e-16 - H2 1.869e-16 5.817e-16 -15.728 -15.235 0.493 28.61 +H(0) 5.844e-39 + H2 2.922e-39 9.093e-39 -38.534 -38.041 0.493 28.61 Na 4.930e+00 Na+ 4.930e+00 6.491e+00 0.693 0.812 0.119 1.00 - NaOH 1.580e-17 4.918e-17 -16.801 -16.308 0.493 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.562 -62.069 0.493 30.40 +O(0) 2.245e-17 + O2 1.122e-17 3.493e-17 -16.950 -16.457 0.493 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.13 -15.24 -3.10 H2 + H2(g) -34.94 -38.04 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.29 1.28 1.57 NaCl - O2(g) -59.18 -62.07 -2.89 O2 + O2(g) -13.56 -16.46 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23180,7 +22887,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 11.170 Adjusted to redox equilibrium + pe = 10.787 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238980 Density (g/cm³) = 1.16626 Volume (L) = 1.10755 @@ -23188,11 +22895,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 4.991e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.407e-16 + Total alkalinity (eq/kg) = 2.391e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.494e-11 + Electrical balance (eq) = 3.637e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 37 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23207,22 +22914,21 @@ Reaction 1. Cl 4.991e+00 Cl- 4.991e+00 2.965e+00 0.698 0.472 -0.226 19.94 HCl 8.528e-10 1.135e-07 -9.069 -6.945 2.124 (0) -H(0) 2.527e-40 - H2 1.263e-40 3.987e-40 -39.898 -39.399 0.499 28.61 +H(0) 1.478e-39 + H2 7.390e-40 2.332e-39 -39.131 -38.632 0.499 28.61 Na 4.991e+00 Na+ 4.991e+00 6.640e+00 0.698 0.822 0.124 1.02 - NaOH 1.591e-17 5.022e-17 -16.798 -16.299 0.499 (0) -O(0) 1.146e-14 - O2 5.729e-15 1.808e-14 -14.242 -13.743 0.499 30.40 +O(0) 3.349e-16 + O2 1.675e-16 5.284e-16 -15.776 -15.277 0.499 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.30 -39.40 -3.10 H2 + H2(g) -35.53 -38.63 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.28 1.29 1.57 NaCl - O2(g) -10.85 -13.74 -2.89 O2 + O2(g) -12.38 -15.28 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23258,7 +22964,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.865 Adjusted to redox equilibrium + pe = -0.569 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239112 Density (g/cm³) = 1.16651 Volume (L) = 1.10776 @@ -23266,11 +22972,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.693e-16 + Total alkalinity (eq/kg) = -6.550e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.055e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 69 + Electrical balance (eq) = 3.443e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23285,22 +22991,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.971e+00 0.699 0.473 -0.226 19.94 HCl 8.469e-10 1.137e-07 -9.072 -6.944 2.128 (0) -H(0) 2.974e-16 - H2 1.487e-16 4.703e-16 -15.828 -15.328 0.500 28.61 +H(0) 7.586e-17 + H2 3.793e-17 1.199e-16 -16.421 -15.921 0.500 28.61 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 1.593e-17 5.037e-17 -16.798 -16.298 0.500 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.387 -61.887 0.500 30.40 + O2 0.000e+00 0.000e+00 -61.200 -60.700 0.500 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -12.82 -15.92 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -58.99 -61.89 -2.89 O2 + O2(g) -57.81 -60.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23336,7 +23041,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.865 Adjusted to redox equilibrium + pe = -0.569 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239112 Density (g/cm³) = 1.16651 Volume (L) = 1.10776 @@ -23344,11 +23049,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.693e-16 + Total alkalinity (eq/kg) = -6.550e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.055e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 69 + Electrical balance (eq) = 3.443e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23363,22 +23068,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.971e+00 0.699 0.473 -0.226 19.94 HCl 8.469e-10 1.137e-07 -9.072 -6.944 2.128 (0) -H(0) 2.974e-16 - H2 1.487e-16 4.703e-16 -15.828 -15.328 0.500 28.61 +H(0) 7.586e-17 + H2 3.793e-17 1.199e-16 -16.421 -15.921 0.500 28.61 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 1.593e-17 5.037e-17 -16.798 -16.298 0.500 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.387 -61.887 0.500 30.40 + O2 0.000e+00 0.000e+00 -61.200 -60.700 0.500 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -12.82 -15.92 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -58.99 -61.89 -2.89 O2 + O2(g) -57.81 -60.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23414,7 +23118,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 10.969 Adjusted to redox equilibrium + pe = -0.933 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239472 Density (g/cm³) = 1.16722 Volume (L) = 1.10833 @@ -23422,11 +23126,11 @@ Reaction 1. Activity of water = 0.829 Ionic strength (mol/kgw) = 5.025e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.319e-16 + Total alkalinity (eq/kg) = 7.834e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.097e-13 + Electrical balance (eq) = 7.111e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 45 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23441,22 +23145,21 @@ Reaction 1. Cl 5.025e+00 Cl- 5.025e+00 2.987e+00 0.701 0.475 -0.226 19.94 HCl 8.309e-10 1.143e-07 -9.080 -6.942 2.139 (0) -H(0) 6.328e-40 - H2 3.164e-40 1.006e-39 -39.500 -38.997 0.502 28.61 +H(0) 4.043e-16 + H2 2.022e-16 6.429e-16 -15.694 -15.192 0.502 28.61 Na 5.025e+00 Na+ 5.025e+00 6.724e+00 0.701 0.828 0.127 1.03 - NaOH 1.597e-17 5.080e-17 -16.797 -16.294 0.502 (0) -O(0) 1.780e-15 - O2 8.900e-16 2.831e-15 -15.051 -14.548 0.502 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.662 -62.159 0.502 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.90 -39.00 -3.10 H2 + H2(g) -12.09 -15.19 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -11.66 -14.55 -2.89 O2 + O2(g) -59.27 -62.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23492,7 +23195,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.191 Adjusted to redox equilibrium + pe = 10.895 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 240756 Density (g/cm³) = 1.16981 Volume (L) = 1.11043 @@ -23500,11 +23203,11 @@ Reaction 1. Activity of water = 0.826 Ionic strength (mol/kgw) = 5.116e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.944e-16 + Total alkalinity (eq/kg) = 4.492e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.022e-11 + Electrical balance (eq) = 7.114e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 81 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23519,22 +23222,21 @@ Reaction 1. Cl 5.116e+00 Cl- 5.116e+00 3.047e+00 0.709 0.484 -0.225 19.96 HCl 7.743e-10 1.165e-07 -9.111 -6.934 2.177 (0) -H(0) 2.231e-40 - H2 1.116e-40 3.624e-40 -39.952 -39.441 0.512 28.61 +H(0) 8.704e-40 + H2 4.352e-40 1.413e-39 -39.361 -38.850 0.512 28.61 Na 5.116e+00 Na+ 5.116e+00 6.955e+00 0.709 0.842 0.133 1.05 - NaOH 1.613e-17 5.240e-17 -16.792 -16.281 0.512 (0) -O(0) 1.334e-14 - O2 6.670e-15 2.166e-14 -14.176 -13.664 0.512 30.40 +O(0) 8.768e-16 + O2 4.384e-16 1.424e-15 -15.358 -14.847 0.512 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.34 -39.44 -3.10 H2 + H2(g) -35.75 -38.85 -3.10 H2 H2O(g) -1.59 -0.08 1.50 H2O Halite -0.24 1.33 1.57 NaCl - O2(g) -10.77 -13.66 -2.89 O2 + O2(g) -11.95 -14.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23570,7 +23272,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 0.335 Adjusted to redox equilibrium + pe = -0.536 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242433 Density (g/cm³) = 1.17340 Volume (L) = 1.11337 @@ -23578,11 +23280,11 @@ Reaction 1. Activity of water = 0.822 Ionic strength (mol/kgw) = 5.243e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.366e-16 + Total alkalinity (eq/kg) = -4.766e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.454e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 2.348e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23597,22 +23299,21 @@ Reaction 1. Cl 5.243e+00 Cl- 5.243e+00 3.131e+00 0.720 0.496 -0.224 19.98 HCl 7.013e-10 1.195e-07 -9.154 -6.923 2.232 (0) -H(0) 1.114e-18 - H2 5.569e-19 1.863e-18 -18.254 -17.730 0.524 28.61 +H(0) 6.151e-17 + H2 3.075e-17 1.029e-16 -16.512 -15.988 0.524 28.61 Na 5.243e+00 Na+ 5.243e+00 7.287e+00 0.720 0.863 0.143 1.08 - NaOH 1.635e-17 5.469e-17 -16.786 -16.262 0.524 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.615 -57.091 0.524 30.40 + O2 0.000e+00 0.000e+00 -61.099 -60.575 0.524 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.63 -17.73 -3.10 H2 + H2(g) -12.89 -15.99 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.21 1.36 1.57 NaCl - O2(g) -54.20 -57.09 -2.89 O2 + O2(g) -57.68 -60.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23648,7 +23349,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 10.818 Adjusted to redox equilibrium + pe = -0.764 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242635 Density (g/cm³) = 1.17385 Volume (L) = 1.11374 @@ -23656,11 +23357,11 @@ Reaction 1. Activity of water = 0.821 Ionic strength (mol/kgw) = 5.259e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.847e-17 + Total alkalinity (eq/kg) = 7.060e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.008e-09 + Electrical balance (eq) = 8.574e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23675,22 +23376,21 @@ Reaction 1. Cl 5.259e+00 Cl- 5.259e+00 3.142e+00 0.721 0.497 -0.224 19.98 HCl 6.926e-10 1.199e-07 -9.160 -6.921 2.238 (0) -H(0) 1.196e-39 - H2 5.979e-40 2.007e-39 -39.223 -38.697 0.526 28.61 +H(0) 1.746e-16 + H2 8.728e-17 2.930e-16 -16.059 -15.533 0.526 28.61 Na 5.259e+00 Na+ 5.259e+00 7.329e+00 0.721 0.865 0.144 1.08 - NaOH 1.638e-17 5.498e-17 -16.786 -16.260 0.526 (0) -O(0) 4.158e-16 - O2 2.079e-16 6.978e-16 -15.682 -15.156 0.526 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.011 -61.485 0.526 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.60 -38.70 -3.10 H2 + H2(g) -12.43 -15.53 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.21 1.36 1.57 NaCl - O2(g) -12.26 -15.16 -2.89 O2 + O2(g) -58.59 -61.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23726,7 +23426,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = 10.771 Adjusted to redox equilibrium + pe = 10.746 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 243692 Density (g/cm³) = 1.17628 Volume (L) = 1.11575 @@ -23734,11 +23434,11 @@ Reaction 1. Activity of water = 0.818 Ionic strength (mol/kgw) = 5.346e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.042e-16 + Total alkalinity (eq/kg) = 7.873e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.072e-09 + Electrical balance (eq) = 1.083e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 28 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23753,22 +23453,21 @@ Reaction 1. Cl 5.346e+00 Cl- 5.346e+00 3.199e+00 0.728 0.505 -0.223 19.99 HCl 6.472e-10 1.220e-07 -9.189 -6.914 2.275 (0) -H(0) 1.454e-39 - H2 7.268e-40 2.489e-39 -39.139 -38.604 0.535 28.61 +H(0) 1.630e-39 + H2 8.152e-40 2.792e-39 -39.089 -38.554 0.535 28.61 Na 5.346e+00 Na+ 5.346e+00 7.563e+00 0.728 0.879 0.151 1.10 - NaOH 1.652e-17 5.659e-17 -16.782 -16.247 0.535 (0) -O(0) 2.631e-16 - O2 1.316e-16 4.506e-16 -15.881 -15.346 0.535 30.40 +O(0) 2.091e-16 + O2 1.046e-16 3.581e-16 -15.981 -15.446 0.535 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.50 -38.60 -3.10 H2 + H2(g) -35.45 -38.55 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.19 1.38 1.57 NaCl - O2(g) -12.45 -15.35 -2.89 O2 + O2(g) -12.55 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23804,7 +23503,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = 10.756 Adjusted to redox equilibrium + pe = 10.877 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 244159 Density (g/cm³) = 1.17739 Volume (L) = 1.11668 @@ -23812,11 +23511,11 @@ Reaction 1. Activity of water = 0.817 Ionic strength (mol/kgw) = 5.386e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.624e-16 + Total alkalinity (eq/kg) = 2.240e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.843e-11 + Electrical balance (eq) = 1.812e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 24 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23831,22 +23530,21 @@ Reaction 1. Cl 5.386e+00 Cl- 5.386e+00 3.226e+00 0.731 0.509 -0.223 20.00 HCl 6.273e-10 1.229e-07 -9.203 -6.910 2.292 (0) -H(0) 1.541e-39 - H2 7.706e-40 2.663e-39 -39.113 -38.575 0.539 28.61 +H(0) 8.822e-40 + H2 4.411e-40 1.524e-39 -39.355 -38.817 0.539 28.61 Na 5.386e+00 Na+ 5.386e+00 7.673e+00 0.731 0.885 0.154 1.11 - NaOH 1.659e-17 5.734e-17 -16.780 -16.242 0.539 (0) -O(0) 2.269e-16 - O2 1.135e-16 3.922e-16 -15.945 -15.407 0.539 30.40 +O(0) 6.927e-16 + O2 3.464e-16 1.197e-15 -15.460 -14.922 0.539 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.47 -38.57 -3.10 H2 + H2(g) -35.72 -38.82 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.18 1.39 1.57 NaCl - O2(g) -12.51 -15.41 -2.89 O2 + O2(g) -12.03 -14.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23882,7 +23580,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.802 Adjusted to redox equilibrium + pe = -0.951 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 245377 Density (g/cm³) = 1.18042 Volume (L) = 1.11922 @@ -23890,11 +23588,11 @@ Reaction 1. Activity of water = 0.813 Ionic strength (mol/kgw) = 5.495e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.744e-17 + Total alkalinity (eq/kg) = 2.780e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.481e-09 + Electrical balance (eq) = 4.999e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23909,22 +23607,21 @@ Reaction 1. Cl 5.495e+00 Cl- 5.495e+00 3.299e+00 0.740 0.518 -0.222 20.02 HCl 5.756e-10 1.256e-07 -9.240 -6.901 2.339 (0) -H(0) 1.956e-16 - H2 9.781e-17 3.467e-16 -16.010 -15.460 0.550 28.61 +H(0) 3.885e-16 + H2 1.942e-16 6.884e-16 -15.712 -15.162 0.550 28.61 Na 5.495e+00 Na+ 5.495e+00 7.979e+00 0.740 0.902 0.162 1.14 - NaOH 1.677e-17 5.943e-17 -16.775 -16.226 0.550 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.189 -61.639 0.550 30.40 + O2 0.000e+00 0.000e+00 -62.785 -62.235 0.550 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.36 -15.46 -3.10 H2 + H2(g) -12.06 -15.16 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.15 1.42 1.57 NaCl - O2(g) -58.75 -61.64 -2.89 O2 + O2(g) -59.34 -62.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23960,7 +23657,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -1.024 Adjusted to redox equilibrium + pe = 10.626 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 245878 Density (g/cm³) = 1.18173 Volume (L) = 1.12032 @@ -23968,11 +23665,11 @@ Reaction 1. Activity of water = 0.812 Ionic strength (mol/kgw) = 5.543e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.356e-16 + Total alkalinity (eq/kg) = -1.082e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.735e-08 + Electrical balance (eq) = 4.941e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23987,22 +23684,21 @@ Reaction 1. Cl 5.543e+00 Cl- 5.543e+00 3.331e+00 0.744 0.523 -0.221 20.02 HCl 5.544e-10 1.267e-07 -9.256 -6.897 2.359 (0) -H(0) 5.389e-16 - H2 2.695e-16 9.655e-16 -15.569 -15.015 0.554 28.61 +H(0) 2.703e-39 + H2 1.351e-39 4.842e-39 -38.869 -38.315 0.554 28.61 Na 5.543e+00 Na+ 5.543e+00 8.114e+00 0.744 0.909 0.166 1.15 - NaOH 1.685e-17 6.036e-17 -16.774 -16.219 0.554 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.085 -62.531 0.554 30.40 +O(0) 6.536e-17 + O2 3.268e-17 1.171e-16 -16.486 -15.931 0.554 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.91 -15.02 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.14 1.43 1.57 NaCl - O2(g) -59.64 -62.53 -2.89 O2 + O2(g) -13.04 -15.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24038,7 +23734,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.684 Adjusted to redox equilibrium + pe = 11.231 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248316 Density (g/cm³) = 1.18877 Volume (L) = 1.12634 @@ -24046,11 +23742,11 @@ Reaction 1. Activity of water = 0.803 Ionic strength (mol/kgw) = 5.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.374e-17 + Total alkalinity (eq/kg) = -3.225e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.750e-11 + Electrical balance (eq) = 1.276e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 59 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24065,22 +23761,21 @@ Reaction 1. Cl 5.800e+00 Cl- 5.800e+00 3.506e+00 0.763 0.545 -0.219 20.06 HCl 4.519e-10 1.329e-07 -9.345 -6.876 2.468 (0) -H(0) 1.055e-16 - H2 5.274e-17 2.005e-16 -16.278 -15.698 0.580 28.61 +H(0) 0.000e+00 + H2 0.000e+00 2.959e-40 -40.109 -39.529 0.580 28.61 Na 5.800e+00 Na+ 5.800e+00 8.882e+00 0.763 0.948 0.185 1.21 - NaOH 1.725e-17 6.557e-17 -16.763 -16.183 0.580 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.755 -61.175 0.580 30.40 +O(0) 1.615e-14 + O2 8.073e-15 3.069e-14 -14.093 -13.513 0.580 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.60 -15.70 -3.10 H2 + H2(g) -36.43 -39.53 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.08 1.49 1.57 NaCl - O2(g) -58.28 -61.18 -2.89 O2 + O2(g) -10.62 -13.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24116,7 +23811,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 11.394 Adjusted to redox equilibrium + pe = 11.243 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248336 Density (g/cm³) = 1.18884 Volume (L) = 1.12640 @@ -24124,11 +23819,11 @@ Reaction 1. Activity of water = 0.803 Ionic strength (mol/kgw) = 5.802e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.219e-16 + Total alkalinity (eq/kg) = -3.406e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.576e-08 + Electrical balance (eq) = 4.717e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 33 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24144,21 +23839,20 @@ Cl 5.802e+00 Cl- 5.802e+00 3.507e+00 0.764 0.545 -0.219 20.06 HCl 4.511e-10 1.330e-07 -9.346 -6.876 2.469 (0) H(0) 0.000e+00 - H2 0.000e+00 1.396e-40 -40.435 -39.855 0.580 28.61 + H2 0.000e+00 2.801e-40 -40.133 -39.553 0.580 28.61 Na 5.802e+00 Na+ 5.802e+00 8.889e+00 0.764 0.949 0.185 1.21 - NaOH 1.725e-17 6.562e-17 -16.763 -16.183 0.580 (0) -O(0) 7.244e-14 - O2 3.622e-14 1.378e-13 -13.441 -12.861 0.580 30.40 +O(0) 1.800e-14 + O2 8.999e-15 3.423e-14 -14.046 -13.466 0.580 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.75 -39.86 -3.10 H2 + H2(g) -36.45 -39.55 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.08 1.49 1.57 NaCl - O2(g) -9.97 -12.86 -2.89 O2 + O2(g) -10.57 -13.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24194,7 +23888,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = 10.513 Adjusted to redox equilibrium + pe = 11.295 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248509 Density (g/cm³) = 1.18939 Volume (L) = 1.12688 @@ -24202,11 +23896,11 @@ Reaction 1. Activity of water = 0.802 Ionic strength (mol/kgw) = 5.823e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.284e-16 + Total alkalinity (eq/kg) = 6.227e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.015e-09 + Electrical balance (eq) = 1.392e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 64 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24221,22 +23915,21 @@ Reaction 1. Cl 5.823e+00 Cl- 5.823e+00 3.521e+00 0.765 0.547 -0.218 20.07 HCl 4.438e-10 1.335e-07 -9.353 -6.875 2.478 (0) -H(0) 4.226e-39 - H2 2.113e-39 8.076e-39 -38.675 -38.093 0.582 28.61 +H(0) 0.000e+00 + H2 0.000e+00 2.201e-40 -40.240 -39.657 0.582 28.61 Na 5.823e+00 Na+ 5.823e+00 8.952e+00 0.765 0.952 0.187 1.21 - NaOH 1.728e-17 6.605e-17 -16.762 -16.180 0.582 (0) -O(0) 2.152e-17 - O2 1.076e-17 4.112e-17 -16.968 -16.386 0.582 30.40 +O(0) 2.897e-14 + O2 1.448e-14 5.535e-14 -13.839 -13.257 0.582 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.99 -38.09 -3.10 H2 + H2(g) -36.56 -39.66 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.07 1.50 1.57 NaCl - O2(g) -13.49 -16.39 -2.89 O2 + O2(g) -10.36 -13.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24272,7 +23965,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -1.379 Adjusted to redox equilibrium + pe = -1.029 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248608 Density (g/cm³) = 1.18971 Volume (L) = 1.12715 @@ -24280,11 +23973,11 @@ Reaction 1. Activity of water = 0.802 Ionic strength (mol/kgw) = 5.835e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.111e-16 + Total alkalinity (eq/kg) = 1.333e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.259e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Electrical balance (eq) = -4.732e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24299,22 +23992,21 @@ Reaction 1. Cl 5.835e+00 Cl- 5.835e+00 3.529e+00 0.766 0.548 -0.218 20.07 HCl 4.397e-10 1.337e-07 -9.357 -6.874 2.483 (0) -H(0) 2.565e-15 - H2 1.282e-15 4.914e-15 -14.892 -14.309 0.583 28.61 +H(0) 5.112e-16 + H2 2.556e-16 9.795e-16 -15.592 -15.009 0.583 28.61 Na 5.835e+00 Na+ 5.835e+00 8.989e+00 0.766 0.954 0.188 1.22 - NaOH 1.730e-17 6.630e-17 -16.762 -16.179 0.583 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.538 -63.955 0.583 30.40 + O2 0.000e+00 0.000e+00 -63.138 -62.554 0.583 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.21 -14.31 -3.10 H2 + H2(g) -11.91 -15.01 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.07 1.50 1.57 NaCl - O2(g) -61.06 -63.95 -2.89 O2 + O2(g) -59.66 -62.55 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24350,7 +24042,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -1.267 Adjusted to redox equilibrium + pe = 10.474 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249543 Density (g/cm³) = 1.19287 Volume (L) = 1.12991 @@ -24358,11 +24050,11 @@ Reaction 1. Activity of water = 0.798 Ionic strength (mol/kgw) = 5.952e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.506e-16 + Total alkalinity (eq/kg) = 1.529e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.184e-11 + Electrical balance (eq) = 3.069e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24377,22 +24069,21 @@ Reaction 1. Cl 5.952e+00 Cl- 5.952e+00 3.610e+00 0.775 0.558 -0.217 20.09 HCl 4.003e-10 1.366e-07 -9.398 -6.865 2.533 (0) -H(0) 1.483e-15 - H2 7.416e-16 2.920e-15 -15.130 -14.535 0.595 28.61 +H(0) 4.890e-39 + H2 2.445e-39 9.626e-39 -38.612 -38.017 0.595 28.61 Na 5.952e+00 Na+ 5.952e+00 9.360e+00 0.775 0.971 0.197 1.24 - NaOH 1.748e-17 6.880e-17 -16.758 -16.162 0.595 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.102 -63.507 0.595 30.40 +O(0) 1.454e-17 + O2 7.271e-18 2.863e-17 -17.138 -16.543 0.595 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.43 -14.53 -3.10 H2 + H2(g) -34.92 -38.02 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.04 1.53 1.57 NaCl - O2(g) -60.61 -63.51 -2.89 O2 + O2(g) -13.65 -16.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24428,7 +24119,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 10.794 Adjusted to redox equilibrium + pe = -1.102 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249901 Density (g/cm³) = 1.19417 Volume (L) = 1.13105 @@ -24436,11 +24127,11 @@ Reaction 1. Activity of water = 0.796 Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.429e-16 + Total alkalinity (eq/kg) = -4.465e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.651e-15 + Electrical balance (eq) = 9.019e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24455,22 +24146,21 @@ Reaction 1. Cl 6.000e+00 Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 HCl 3.851e-10 1.378e-07 -9.414 -6.861 2.554 (0) -H(0) 1.104e-39 - H2 5.522e-40 2.198e-39 -39.258 -38.658 0.600 28.61 +H(0) 6.846e-16 + H2 3.423e-16 1.363e-15 -15.466 -14.866 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.755e-17 6.985e-17 -16.756 -16.156 0.600 (0) -O(0) 2.745e-16 - O2 1.373e-16 5.465e-16 -15.862 -15.262 0.600 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.447 -62.847 0.600 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.56 -38.66 -3.10 H2 + H2(g) -11.76 -14.87 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.03 1.54 1.57 NaCl - O2(g) -12.37 -15.26 -2.89 O2 + O2(g) -59.95 -62.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24506,7 +24196,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 10.763 Adjusted to redox equilibrium + pe = -0.661 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 250056 Density (g/cm³) = 1.19474 Volume (L) = 1.13156 @@ -24514,11 +24204,11 @@ Reaction 1. Activity of water = 0.795 Ionic strength (mol/kgw) = 6.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.097e-16 + Total alkalinity (eq/kg) = -5.011e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.379e-09 + Electrical balance (eq) = 3.061e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 19 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24533,22 +24223,21 @@ Reaction 1. Cl 6.022e+00 Cl- 6.022e+00 3.658e+00 0.780 0.563 -0.216 20.10 HCl 3.784e-10 1.383e-07 -9.422 -6.859 2.563 (0) -H(0) 1.267e-39 - H2 6.336e-40 2.535e-39 -39.198 -38.596 0.602 28.61 +H(0) 8.945e-17 + H2 4.472e-17 1.789e-16 -16.349 -15.747 0.602 28.61 Na 6.022e+00 Na+ 6.022e+00 9.587e+00 0.780 0.982 0.202 1.26 - NaOH 1.758e-17 7.033e-17 -16.755 -16.153 0.602 (0) -O(0) 2.051e-16 - O2 1.025e-16 4.103e-16 -15.989 -15.387 0.602 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.687 -61.084 0.602 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.49 -38.60 -3.10 H2 + H2(g) -12.65 -15.75 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.03 1.54 1.57 NaCl - O2(g) -12.49 -15.39 -2.89 O2 + O2(g) -58.19 -61.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24584,7 +24273,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = -1.207 Adjusted to redox equilibrium + pe = 10.463 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 250597 Density (g/cm³) = 1.19684 Volume (L) = 1.13341 @@ -24592,11 +24281,11 @@ Reaction 1. Activity of water = 0.793 Ionic strength (mol/kgw) = 6.100e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.413e-16 + Total alkalinity (eq/kg) = 4.904e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.732e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 24 + Electrical balance (eq) = 9.175e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24611,22 +24300,21 @@ Reaction 1. Cl 6.100e+00 Cl- 6.100e+00 3.713e+00 0.785 0.570 -0.216 20.11 HCl 3.553e-10 1.402e-07 -9.449 -6.853 2.596 (0) -H(0) 1.085e-15 - H2 5.426e-16 2.211e-15 -15.266 -14.656 0.610 28.61 +H(0) 4.945e-39 + H2 2.473e-39 1.007e-38 -38.607 -37.997 0.610 28.61 Na 6.100e+00 Na+ 6.100e+00 9.846e+00 0.785 0.993 0.208 1.27 - NaOH 1.769e-17 7.207e-17 -16.752 -16.142 0.610 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.881 -63.271 0.610 30.40 +O(0) 1.267e-17 + O2 6.336e-18 2.581e-17 -17.198 -16.588 0.610 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.55 -14.66 -3.10 H2 + H2(g) -34.90 -38.00 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.01 1.56 1.57 NaCl - O2(g) -60.38 -63.27 -2.89 O2 + O2(g) -13.70 -16.59 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24766,7 +24454,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.686 Charge balance - pe = 0.113 Adjusted to redox equilibrium + pe = 0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 10519 Density (g/cm³) = 0.99291 Volume (L) = 1.01117 @@ -24774,10 +24462,10 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.845e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.915e-17 + Total alkalinity (eq/kg) = 3.008e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -9.109e-17 + Electrical balance (eq) = -1.060e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -24794,22 +24482,21 @@ Reaction 1. Cl 6.845e-02 Cl- 6.845e-02 5.386e-02 -1.165 -1.269 -0.104 18.53 HCl 3.157e-09 3.376e-09 -8.501 -8.472 0.029 (0) -H(0) 2.917e-17 - H2 1.459e-17 1.482e-17 -16.836 -16.829 0.007 28.59 +H(0) 3.028e-17 + H2 1.514e-17 1.538e-17 -16.820 -16.813 0.007 28.59 Na 6.845e-02 Na+ 6.845e-02 5.479e-02 -1.165 -1.261 -0.097 -0.37 - NaOH 1.054e-18 1.071e-18 -17.977 -17.970 0.007 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.682 -52.675 0.007 31.67 + O2 0.000e+00 0.000e+00 -52.714 -52.707 0.007 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.70 -16.83 -3.13 H2 + H2(g) -13.68 -16.81 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -4.12 -2.53 1.59 NaCl - O2(g) -49.67 -52.67 -3.01 O2 + O2(g) -49.70 -52.71 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24845,7 +24532,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.686 Charge balance - pe = 0.046 Adjusted to redox equilibrium + pe = 0.169 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 10961 Density (g/cm³) = 0.99303 Volume (L) = 1.01123 @@ -24853,10 +24540,10 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 7.152e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.890e-17 + Total alkalinity (eq/kg) = 2.235e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -7.969e-17 + Electrical balance (eq) = -1.414e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -24873,22 +24560,21 @@ Reaction 1. Cl 7.152e-02 Cl- 7.152e-02 5.605e-02 -1.146 -1.251 -0.106 18.54 HCl 3.278e-09 3.516e-09 -8.484 -8.454 0.030 (0) -H(0) 3.980e-17 - H2 1.990e-17 2.023e-17 -16.701 -16.694 0.007 28.59 +H(0) 2.254e-17 + H2 1.127e-17 1.146e-17 -16.948 -16.941 0.007 28.59 Na 7.152e-02 Na+ 7.152e-02 5.706e-02 -1.146 -1.244 -0.098 -0.37 - NaOH 1.096e-18 1.114e-18 -17.960 -17.953 0.007 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.953 -52.945 0.007 31.67 + O2 0.000e+00 0.000e+00 -52.459 -52.452 0.007 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.56 -16.69 -3.13 H2 + H2(g) -13.81 -16.94 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -4.08 -2.50 1.59 NaCl - O2(g) -49.94 -52.95 -3.01 O2 + O2(g) -49.44 -52.45 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24924,7 +24610,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.684 Charge balance - pe = 0.096 Adjusted to redox equilibrium + pe = 0.092 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 14073 Density (g/cm³) = 0.99389 Volume (L) = 1.01164 @@ -24932,10 +24618,10 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.340e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.963e-17 + Total alkalinity (eq/kg) = 2.989e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -6.517e-16 + Electrical balance (eq) = -5.970e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -24952,22 +24638,21 @@ Reaction 1. Cl 9.340e-02 Cl- 9.340e-02 7.140e-02 -1.030 -1.146 -0.117 18.58 HCl 4.105e-09 4.498e-09 -8.387 -8.347 0.040 (0) -H(0) 3.166e-17 - H2 1.583e-17 1.618e-17 -16.800 -16.791 0.009 28.59 +H(0) 3.227e-17 + H2 1.613e-17 1.648e-17 -16.792 -16.783 0.009 28.59 Na 9.340e-02 Na+ 9.340e-02 7.305e-02 -1.030 -1.136 -0.107 -0.32 - NaOH 1.388e-18 1.419e-18 -17.857 -17.848 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.761 -52.752 0.009 31.67 + O2 0.000e+00 0.000e+00 -52.777 -52.768 0.009 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.66 -16.79 -3.13 H2 + H2(g) -13.65 -16.78 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.87 -2.28 1.59 NaCl - O2(g) -49.74 -52.75 -3.01 O2 + O2(g) -49.76 -52.77 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25003,7 +24688,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.683 Charge balance - pe = 0.050 Adjusted to redox equilibrium + pe = 0.079 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 14998 Density (g/cm³) = 0.99416 Volume (L) = 1.01176 @@ -25011,10 +24696,10 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.916e-17 + Total alkalinity (eq/kg) = 3.393e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -9.098e-16 + Electrical balance (eq) = -7.969e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -25031,22 +24716,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.594e-02 -1.000 -1.120 -0.120 18.59 HCl 4.343e-09 4.790e-09 -8.362 -8.320 0.043 (0) -H(0) 3.917e-17 - H2 1.958e-17 2.004e-17 -16.708 -16.698 0.010 28.59 +H(0) 3.422e-17 + H2 1.711e-17 1.751e-17 -16.767 -16.757 0.010 28.59 Na 1.000e-01 Na+ 1.000e-01 7.780e-02 -1.000 -1.109 -0.109 -0.31 - NaOH 1.475e-18 1.509e-18 -17.831 -17.821 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.948 -52.938 0.010 31.67 + O2 0.000e+00 0.000e+00 -52.831 -52.821 0.010 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.57 -16.70 -3.13 H2 + H2(g) -13.62 -16.76 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.81 -2.23 1.59 NaCl - O2(g) -49.93 -52.94 -3.01 O2 + O2(g) -49.81 -52.82 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25082,7 +24766,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.682 Charge balance - pe = 0.060 Adjusted to redox equilibrium + pe = 0.113 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 18354 Density (g/cm³) = 0.99511 Volume (L) = 1.01221 @@ -25090,10 +24774,10 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.243e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.750e-17 + Total alkalinity (eq/kg) = 2.546e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.733e-15 + Electrical balance (eq) = -3.853e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -25110,22 +24794,21 @@ Reaction 1. Cl 1.243e-01 Cl- 1.243e-01 9.236e-02 -0.906 -1.035 -0.129 18.63 HCl 5.179e-09 5.849e-09 -8.286 -8.233 0.053 (0) -H(0) 3.750e-17 - H2 1.875e-17 1.930e-17 -16.727 -16.715 0.012 28.59 +H(0) 2.940e-17 + H2 1.470e-17 1.513e-17 -16.833 -16.820 0.012 28.59 Na 1.243e-01 Na+ 1.243e-01 9.511e-02 -0.906 -1.022 -0.116 -0.27 - NaOH 1.784e-18 1.836e-18 -17.749 -17.736 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.918 -52.906 0.012 31.67 + O2 0.000e+00 0.000e+00 -52.707 -52.694 0.012 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.58 -16.71 -3.13 H2 + H2(g) -13.69 -16.82 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.64 -2.06 1.59 NaCl - O2(g) -49.90 -52.91 -3.01 O2 + O2(g) -49.69 -52.69 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25161,7 +24844,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.679 Charge balance - pe = 0.100 Adjusted to redox equilibrium + pe = 0.064 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 23266 Density (g/cm³) = 0.99654 Volume (L) = 1.01289 @@ -25169,12 +24852,12 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.606e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.044e-17 + Total alkalinity (eq/kg) = 3.545e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.541e-14 + Electrical balance (eq) = -6.464e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25189,22 +24872,21 @@ Reaction 1. Cl 1.606e-01 Cl- 1.606e-01 1.163e-01 -0.794 -0.935 -0.140 18.68 HCl 6.323e-09 7.401e-09 -8.199 -8.131 0.068 (0) -H(0) 3.129e-17 - H2 1.565e-17 1.624e-17 -16.806 -16.789 0.016 28.59 +H(0) 3.691e-17 + H2 1.845e-17 1.915e-17 -16.734 -16.718 0.016 28.59 Na 1.606e-01 Na+ 1.606e-01 1.206e-01 -0.794 -0.919 -0.124 -0.22 - NaOH 2.229e-18 2.313e-18 -17.652 -17.636 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.773 -52.757 0.016 31.67 + O2 0.000e+00 0.000e+00 -52.916 -52.900 0.016 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.66 -16.79 -3.13 H2 + H2(g) -13.58 -16.72 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.44 -1.85 1.59 NaCl - O2(g) -49.75 -52.76 -3.01 O2 + O2(g) -49.89 -52.90 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25240,7 +24922,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.678 Charge balance - pe = 0.077 Adjusted to redox equilibrium + pe = 0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 28011 Density (g/cm³) = 0.99794 Volume (L) = 1.01358 @@ -25248,12 +24930,12 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.966e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.032e-17 + Total alkalinity (eq/kg) = 7.249e-18 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -6.942e-15 + Electrical balance (eq) = -1.162e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25268,22 +24950,21 @@ Reaction 1. Cl 1.966e-01 Cl- 1.966e-01 1.393e-01 -0.707 -0.856 -0.150 18.72 HCl 7.344e-09 8.904e-09 -8.134 -8.050 0.084 (0) -H(0) 3.470e-17 - H2 1.735e-17 1.815e-17 -16.761 -16.741 0.020 28.59 +H(0) 1.594e-17 + H2 7.971e-18 8.340e-18 -17.098 -17.079 0.020 28.59 Na 1.966e-01 Na+ 1.966e-01 1.455e-01 -0.707 -0.837 -0.131 -0.17 - NaOH 2.653e-18 2.776e-18 -17.576 -17.557 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.875 -52.855 0.020 31.67 + O2 0.000e+00 0.000e+00 -52.199 -52.179 0.020 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.61 -16.74 -3.13 H2 + H2(g) -13.95 -17.08 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.28 -1.69 1.59 NaCl - O2(g) -49.85 -52.86 -3.01 O2 + O2(g) -49.17 -52.18 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25319,7 +25000,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.677 Charge balance - pe = 0.052 Adjusted to redox equilibrium + pe = 0.144 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 28460 Density (g/cm³) = 0.99807 Volume (L) = 1.01364 @@ -25327,12 +25008,12 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.580e-17 + Total alkalinity (eq/kg) = 4.518e-18 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -8.377e-15 + Electrical balance (eq) = -7.615e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25347,22 +25028,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.414e-01 -0.699 -0.849 -0.150 18.73 HCl 7.436e-09 9.047e-09 -8.129 -8.044 0.085 (0) -H(0) 3.908e-17 - H2 1.954e-17 2.046e-17 -16.709 -16.689 0.020 28.59 +H(0) 2.551e-17 + H2 1.275e-17 1.336e-17 -16.894 -16.874 0.020 28.59 Na 2.000e-01 Na+ 2.000e-01 1.479e-01 -0.699 -0.830 -0.131 -0.17 - NaOH 2.693e-18 2.819e-18 -17.570 -17.550 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.979 -52.959 0.020 31.67 + O2 0.000e+00 0.000e+00 -52.608 -52.588 0.020 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.56 -16.69 -3.13 H2 + H2(g) -13.74 -16.87 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.26 -1.68 1.59 NaCl - O2(g) -49.95 -52.96 -3.01 O2 + O2(g) -49.58 -52.59 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25398,7 +25078,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.677 Charge balance - pe = 0.023 Adjusted to redox equilibrium + pe = 0.158 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 30623 Density (g/cm³) = 0.99872 Volume (L) = 1.01396 @@ -25406,12 +25086,12 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.167e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.447e-17 + Total alkalinity (eq/kg) = 2.375e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.320e-16 + Electrical balance (eq) = -4.190e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25426,22 +25106,21 @@ Reaction 1. Cl 2.167e-01 Cl- 2.167e-01 1.519e-01 -0.664 -0.818 -0.154 18.75 HCl 7.872e-09 9.734e-09 -8.104 -8.012 0.092 (0) -H(0) 4.452e-17 - H2 2.226e-17 2.340e-17 -16.652 -16.631 0.022 28.59 +H(0) 2.392e-17 + H2 1.196e-17 1.257e-17 -16.922 -16.901 0.022 28.59 Na 2.167e-01 Na+ 2.167e-01 1.594e-01 -0.664 -0.798 -0.133 -0.15 - NaOH 2.884e-18 3.031e-18 -17.540 -17.518 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.098 -53.076 0.022 31.67 + O2 0.000e+00 0.000e+00 -52.558 -52.536 0.022 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.50 -16.63 -3.13 H2 + H2(g) -13.77 -16.90 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.20 -1.62 1.59 NaCl - O2(g) -50.07 -53.08 -3.01 O2 + O2(g) -49.53 -52.54 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25477,7 +25156,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.675 Charge balance - pe = 0.026 Adjusted to redox equilibrium + pe = 0.017 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 34719 Density (g/cm³) = 0.99996 Volume (L) = 1.01457 @@ -25485,10 +25164,10 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.487e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.163e-17 + Total alkalinity (eq/kg) = 3.529e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.854e-14 + Electrical balance (eq) = -2.239e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -25505,22 +25184,21 @@ Reaction 1. Cl 2.487e-01 Cl- 2.487e-01 1.718e-01 -0.604 -0.765 -0.161 18.78 HCl 8.652e-09 1.104e-08 -8.063 -7.957 0.106 (0) -H(0) 4.381e-17 - H2 2.191e-17 2.320e-17 -16.659 -16.635 0.025 28.59 +H(0) 4.583e-17 + H2 2.291e-17 2.426e-17 -16.640 -16.615 0.025 28.59 Na 2.487e-01 Na+ 2.487e-01 1.813e-01 -0.604 -0.742 -0.137 -0.12 - NaOH 3.243e-18 3.434e-18 -17.489 -17.464 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.094 -53.070 0.025 31.67 + O2 0.000e+00 0.000e+00 -53.133 -53.109 0.025 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.50 -16.63 -3.13 H2 + H2(g) -13.48 -16.62 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.09 -1.51 1.59 NaCl - O2(g) -50.06 -53.07 -3.01 O2 + O2(g) -50.10 -53.11 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25556,7 +25234,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.675 Charge balance - pe = -0.080 Adjusted to redox equilibrium + pe = -0.004 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 35668 Density (g/cm³) = 1.00025 Volume (L) = 1.01472 @@ -25564,12 +25242,12 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.562e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.790e-18 + Total alkalinity (eq/kg) = 4.923e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.137e-13 + Electrical balance (eq) = -4.823e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25584,22 +25262,21 @@ Reaction 1. Cl 2.562e-01 Cl- 2.562e-01 1.764e-01 -0.591 -0.754 -0.162 18.79 HCl 8.825e-09 1.134e-08 -8.054 -7.945 0.109 (0) -H(0) 7.168e-17 - H2 3.584e-17 3.802e-17 -16.446 -16.420 0.026 28.59 +H(0) 5.035e-17 + H2 2.517e-17 2.670e-17 -16.599 -16.573 0.026 28.59 Na 2.562e-01 Na+ 2.562e-01 1.865e-01 -0.591 -0.729 -0.138 -0.11 - NaOH 3.326e-18 3.528e-18 -17.478 -17.452 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.524 -53.499 0.026 31.67 + O2 0.000e+00 0.000e+00 -53.218 -53.192 0.026 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.29 -16.42 -3.13 H2 + H2(g) -13.44 -16.57 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.07 -1.48 1.59 NaCl - O2(g) -50.49 -53.50 -3.01 O2 + O2(g) -50.18 -53.19 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25635,7 +25312,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.675 Charge balance - pe = 0.142 Adjusted to redox equilibrium + pe = 0.237 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 35803 Density (g/cm³) = 1.00029 Volume (L) = 1.01474 @@ -25643,10 +25320,10 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.572e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.883e-18 + Total alkalinity (eq/kg) = -4.749e-18 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -2.882e-14 + Electrical balance (eq) = -2.942e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -25663,22 +25340,21 @@ Reaction 1. Cl 2.572e-01 Cl- 2.572e-01 1.770e-01 -0.590 -0.752 -0.162 18.79 HCl 8.850e-09 1.139e-08 -8.053 -7.944 0.109 (0) -H(0) 2.577e-17 - H2 1.289e-17 1.367e-17 -16.890 -16.864 0.026 28.59 +H(0) 1.664e-17 + H2 8.322e-18 8.830e-18 -17.080 -17.054 0.026 28.59 Na 2.572e-01 Na+ 2.572e-01 1.872e-01 -0.590 -0.728 -0.138 -0.11 - NaOH 3.337e-18 3.541e-18 -17.477 -17.451 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.636 -52.611 0.026 31.67 + O2 0.000e+00 0.000e+00 -52.257 -52.231 0.026 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.73 -16.86 -3.13 H2 + H2(g) -13.92 -17.05 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.06 -1.48 1.59 NaCl - O2(g) -49.60 -52.61 -3.01 O2 + O2(g) -49.22 -52.23 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25714,7 +25390,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.675 Charge balance - pe = -0.094 Adjusted to redox equilibrium + pe = -0.254 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 36905 Density (g/cm³) = 1.00063 Volume (L) = 1.01490 @@ -25722,10 +25398,10 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.660e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.454e-17 + Total alkalinity (eq/kg) = 9.006e-18 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.498e-13 + Electrical balance (eq) = -3.459e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -25742,22 +25418,21 @@ Reaction 1. Cl 2.660e-01 Cl- 2.660e-01 1.824e-01 -0.575 -0.739 -0.164 18.80 HCl 9.046e-09 1.174e-08 -8.044 -7.930 0.113 (0) -H(0) 7.628e-17 - H2 3.814e-17 4.055e-17 -16.419 -16.392 0.027 28.59 +H(0) 1.596e-16 + H2 7.980e-17 8.484e-17 -16.098 -16.071 0.027 28.59 Na 2.660e-01 Na+ 2.660e-01 1.932e-01 -0.575 -0.714 -0.139 -0.10 - NaOH 3.433e-18 3.650e-18 -17.464 -17.438 0.027 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.582 -53.555 0.027 31.67 + O2 0.000e+00 0.000e+00 -54.223 -54.196 0.027 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.26 -16.39 -3.13 H2 + H2(g) -12.94 -16.07 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -3.04 -1.45 1.59 NaCl - O2(g) -50.55 -53.56 -3.01 O2 + O2(g) -51.19 -54.20 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25793,7 +25468,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.673 Charge balance - pe = -0.128 Adjusted to redox equilibrium + pe = -0.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 43620 Density (g/cm³) = 1.00271 Volume (L) = 1.01595 @@ -25801,12 +25476,12 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.200e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.976e-17 + Total alkalinity (eq/kg) = 4.776e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -7.060e-13 + Electrical balance (eq) = -2.242e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25821,22 +25496,21 @@ Reaction 1. Cl 3.200e-01 Cl- 3.200e-01 2.150e-01 -0.495 -0.667 -0.173 18.85 HCl 1.016e-08 1.390e-08 -7.993 -7.857 0.136 (0) -H(0) 8.881e-17 - H2 4.440e-17 4.780e-17 -16.353 -16.321 0.032 28.59 +H(0) 1.029e-16 + H2 5.146e-17 5.539e-17 -16.289 -16.257 0.032 28.59 Na 3.200e-01 Na+ 3.200e-01 2.301e-01 -0.495 -0.638 -0.143 -0.05 - NaOH 4.014e-18 4.321e-18 -17.396 -17.364 0.032 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.732 -53.700 0.032 31.67 + O2 0.000e+00 0.000e+00 -53.860 -53.828 0.032 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.19 -16.32 -3.13 H2 + H2(g) -13.12 -16.26 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -2.89 -1.31 1.59 NaCl - O2(g) -50.69 -53.70 -3.01 O2 + O2(g) -50.82 -53.83 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25872,7 +25546,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.672 Charge balance - pe = -0.045 Adjusted to redox equilibrium + pe = 0.028 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 45226 Density (g/cm³) = 1.00322 Volume (L) = 1.01620 @@ -25880,10 +25554,10 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.331e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.037e-17 + Total alkalinity (eq/kg) = 4.112e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.203e-12 + Electrical balance (eq) = -1.210e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -25900,22 +25574,21 @@ Reaction 1. Cl 3.331e-01 Cl- 3.331e-01 2.229e-01 -0.477 -0.652 -0.175 18.86 HCl 1.041e-08 1.442e-08 -7.983 -7.841 0.142 (0) -H(0) 6.060e-17 - H2 3.030e-17 3.272e-17 -16.519 -16.485 0.033 28.59 +H(0) 4.321e-17 + H2 2.161e-17 2.333e-17 -16.665 -16.632 0.033 28.59 Na 3.331e-01 Na+ 3.331e-01 2.390e-01 -0.477 -0.622 -0.144 -0.04 - NaOH 4.152e-18 4.483e-18 -17.382 -17.348 0.033 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.404 -53.371 0.033 31.67 + O2 0.000e+00 0.000e+00 -53.110 -53.077 0.033 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.35 -16.49 -3.13 H2 + H2(g) -13.50 -16.63 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O Halite -2.86 -1.27 1.59 NaCl - O2(g) -50.36 -53.37 -3.01 O2 + O2(g) -50.07 -53.08 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25951,7 +25624,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.672 Charge balance - pe = 0.060 Adjusted to redox equilibrium + pe = 0.050 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 48063 Density (g/cm³) = 1.00411 Volume (L) = 1.01665 @@ -25959,12 +25632,12 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.565e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.939e-17 + Total alkalinity (eq/kg) = 2.678e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -4.923e-13 + Electrical balance (eq) = -3.823e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25979,22 +25652,21 @@ Reaction 1. Cl 3.565e-01 Cl- 3.565e-01 2.367e-01 -0.448 -0.626 -0.178 18.88 HCl 1.082e-08 1.535e-08 -7.966 -7.814 0.152 (0) -H(0) 3.719e-17 - H2 1.859e-17 2.018e-17 -16.731 -16.695 0.036 28.59 +H(0) 3.893e-17 + H2 1.947e-17 2.113e-17 -16.711 -16.675 0.036 28.59 Na 3.565e-01 Na+ 3.565e-01 2.550e-01 -0.448 -0.594 -0.146 -0.02 - NaOH 4.394e-18 4.770e-18 -17.357 -17.321 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.987 -52.952 0.036 31.67 + O2 0.000e+00 0.000e+00 -53.027 -52.992 0.036 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.56 -16.70 -3.13 H2 + H2(g) -13.54 -16.68 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.80 -1.22 1.59 NaCl - O2(g) -49.94 -52.95 -3.01 O2 + O2(g) -49.98 -52.99 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26030,7 +25702,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.671 Charge balance - pe = -0.126 Adjusted to redox equilibrium + pe = 0.048 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 51235 Density (g/cm³) = 1.00512 Volume (L) = 1.01717 @@ -26038,12 +25710,12 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 3.828e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.610e-18 + Total alkalinity (eq/kg) = 2.697e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -2.660e-12 + Electrical balance (eq) = -1.150e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26058,22 +25730,21 @@ Reaction 1. Cl 3.828e-01 Cl- 3.828e-01 2.523e-01 -0.417 -0.598 -0.181 18.90 HCl 1.126e-08 1.638e-08 -7.949 -7.786 0.163 (0) -H(0) 8.746e-17 - H2 4.373e-17 4.776e-17 -16.359 -16.321 0.038 28.59 +H(0) 3.922e-17 + H2 1.961e-17 2.142e-17 -16.707 -16.669 0.038 28.59 Na 3.828e-01 Na+ 3.828e-01 2.730e-01 -0.417 -0.564 -0.147 0.00 - NaOH 4.664e-18 5.094e-18 -17.331 -17.293 0.038 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.739 -53.701 0.038 31.67 + O2 0.000e+00 0.000e+00 -53.043 -53.004 0.038 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.19 -16.32 -3.13 H2 + H2(g) -13.54 -16.67 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.75 -1.16 1.59 NaCl - O2(g) -50.69 -53.70 -3.01 O2 + O2(g) -50.00 -53.00 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26109,7 +25780,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.668 Charge balance - pe = -0.175 Adjusted to redox equilibrium + pe = -0.280 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 63006 Density (g/cm³) = 1.00893 Volume (L) = 1.01914 @@ -26117,10 +25788,10 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 4.832e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.857e-17 + Total alkalinity (eq/kg) = 3.250e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -8.038e-12 + Electrical balance (eq) = -9.609e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -26137,22 +25808,21 @@ Reaction 1. Cl 4.832e-01 Cl- 4.832e-01 3.105e-01 -0.316 -0.508 -0.192 18.98 HCl 1.263e-08 2.028e-08 -7.899 -7.693 0.206 (0) -H(0) 1.085e-16 - H2 5.423e-17 6.061e-17 -16.266 -16.217 0.048 28.59 +H(0) 1.755e-16 + H2 8.777e-17 9.810e-17 -16.057 -16.008 0.048 28.59 Na 4.832e-01 Na+ 4.832e-01 3.421e-01 -0.316 -0.466 -0.150 0.07 - NaOH 5.658e-18 6.324e-18 -17.247 -17.199 0.048 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.959 -53.911 0.048 31.67 + O2 0.000e+00 0.000e+00 -54.377 -54.329 0.048 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.08 -16.22 -3.13 H2 + H2(g) -12.88 -16.01 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.56 -0.97 1.59 NaCl - O2(g) -50.90 -53.91 -3.01 O2 + O2(g) -51.32 -54.33 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26188,7 +25858,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.668 Charge balance - pe = -0.197 Adjusted to redox equilibrium + pe = -0.092 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 64936 Density (g/cm³) = 1.00957 Volume (L) = 1.01947 @@ -26196,12 +25866,12 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.025e-17 + Total alkalinity (eq/kg) = 2.181e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -9.500e-12 + Electrical balance (eq) = -1.519e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26216,22 +25886,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.202e-01 -0.301 -0.495 -0.194 18.99 HCl 1.282e-08 2.093e-08 -7.892 -7.679 0.213 (0) -H(0) 1.196e-16 - H2 5.978e-17 6.707e-17 -16.223 -16.173 0.050 28.59 +H(0) 7.396e-17 + H2 3.698e-17 4.149e-17 -16.432 -16.382 0.050 28.59 Na 5.000e-01 Na+ 5.000e-01 3.538e-01 -0.301 -0.451 -0.150 0.09 - NaOH 5.820e-18 6.530e-18 -17.235 -17.185 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.049 -53.999 0.050 31.67 + O2 0.000e+00 0.000e+00 -53.632 -53.582 0.050 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.04 -16.17 -3.13 H2 + H2(g) -13.25 -16.38 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.53 -0.95 1.59 NaCl - O2(g) -50.99 -54.00 -3.01 O2 + O2(g) -50.57 -53.58 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26267,7 +25936,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.668 Charge balance - pe = -0.197 Adjusted to redox equilibrium + pe = -0.092 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 64936 Density (g/cm³) = 1.00957 Volume (L) = 1.01947 @@ -26275,12 +25944,12 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.025e-17 + Total alkalinity (eq/kg) = 2.181e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -9.500e-12 + Electrical balance (eq) = -1.519e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26295,22 +25964,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.202e-01 -0.301 -0.495 -0.194 18.99 HCl 1.282e-08 2.093e-08 -7.892 -7.679 0.213 (0) -H(0) 1.196e-16 - H2 5.978e-17 6.707e-17 -16.223 -16.173 0.050 28.59 +H(0) 7.396e-17 + H2 3.698e-17 4.149e-17 -16.432 -16.382 0.050 28.59 Na 5.000e-01 Na+ 5.000e-01 3.538e-01 -0.301 -0.451 -0.150 0.09 - NaOH 5.820e-18 6.530e-18 -17.235 -17.185 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.049 -53.999 0.050 31.67 + O2 0.000e+00 0.000e+00 -53.632 -53.582 0.050 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.04 -16.17 -3.13 H2 + H2(g) -13.25 -16.38 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.53 -0.95 1.59 NaCl - O2(g) -50.99 -54.00 -3.01 O2 + O2(g) -50.57 -53.58 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26346,7 +26014,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.668 Charge balance - pe = -0.197 Adjusted to redox equilibrium + pe = -0.092 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 64936 Density (g/cm³) = 1.00957 Volume (L) = 1.01947 @@ -26354,12 +26022,12 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.025e-17 + Total alkalinity (eq/kg) = 2.181e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -9.500e-12 + Electrical balance (eq) = -1.519e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26374,22 +26042,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.202e-01 -0.301 -0.495 -0.194 18.99 HCl 1.282e-08 2.093e-08 -7.892 -7.679 0.213 (0) -H(0) 1.196e-16 - H2 5.978e-17 6.707e-17 -16.223 -16.173 0.050 28.59 +H(0) 7.396e-17 + H2 3.698e-17 4.149e-17 -16.432 -16.382 0.050 28.59 Na 5.000e-01 Na+ 5.000e-01 3.538e-01 -0.301 -0.451 -0.150 0.09 - NaOH 5.820e-18 6.530e-18 -17.235 -17.185 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.049 -53.999 0.050 31.67 + O2 0.000e+00 0.000e+00 -53.632 -53.582 0.050 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.04 -16.17 -3.13 H2 + H2(g) -13.25 -16.38 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.53 -0.95 1.59 NaCl - O2(g) -50.99 -54.00 -3.01 O2 + O2(g) -50.57 -53.58 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26425,7 +26092,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.668 Charge balance - pe = -0.062 Adjusted to redox equilibrium + pe = -0.002 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 65621 Density (g/cm³) = 1.00979 Volume (L) = 1.01959 @@ -26433,12 +26100,12 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.060e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.563e-17 + Total alkalinity (eq/kg) = -2.146e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.650e-12 + Electrical balance (eq) = -9.203e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26453,22 +26120,21 @@ Reaction 1. Cl 5.060e-01 Cl- 5.060e-01 3.236e-01 -0.296 -0.490 -0.194 19.00 HCl 1.289e-08 2.116e-08 -7.890 -7.674 0.215 (0) -H(0) 6.428e-17 - H2 3.214e-17 3.611e-17 -16.493 -16.442 0.051 28.59 +H(0) 4.879e-17 + H2 2.440e-17 2.741e-17 -16.613 -16.562 0.051 28.59 Na 5.060e-01 Na+ 5.060e-01 3.580e-01 -0.296 -0.446 -0.150 0.09 - NaOH 5.877e-18 6.603e-18 -17.231 -17.180 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.512 -53.462 0.051 31.67 + O2 0.000e+00 0.000e+00 -53.273 -53.222 0.051 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.31 -16.44 -3.13 H2 + H2(g) -13.43 -16.56 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.52 -0.94 1.59 NaCl - O2(g) -50.45 -53.46 -3.01 O2 + O2(g) -50.21 -53.22 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26504,7 +26170,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.668 Charge balance - pe = -0.136 Adjusted to redox equilibrium + pe = -0.442 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 65834 Density (g/cm³) = 1.00986 Volume (L) = 1.01962 @@ -26512,12 +26178,12 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.079e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.654e-17 + Total alkalinity (eq/kg) = 1.454e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -4.590e-12 + Electrical balance (eq) = -4.582e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26532,22 +26198,21 @@ Reaction 1. Cl 5.079e-01 Cl- 5.079e-01 3.246e-01 -0.294 -0.489 -0.194 19.00 HCl 1.291e-08 2.123e-08 -7.889 -7.673 0.216 (0) -H(0) 9.044e-17 - H2 4.522e-17 5.083e-17 -16.345 -16.294 0.051 28.59 +H(0) 3.699e-16 + H2 1.849e-16 2.079e-16 -15.733 -15.682 0.051 28.59 Na 5.079e-01 Na+ 5.079e-01 3.593e-01 -0.294 -0.445 -0.150 0.09 - NaOH 5.895e-18 6.626e-18 -17.230 -17.179 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.809 -53.759 0.051 31.67 + O2 0.000e+00 0.000e+00 -55.033 -54.982 0.051 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.16 -16.29 -3.13 H2 + H2(g) -12.55 -15.68 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.52 -0.93 1.59 NaCl - O2(g) -50.75 -53.76 -3.01 O2 + O2(g) -51.97 -54.98 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26583,7 +26248,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.667 Charge balance - pe = -0.122 Adjusted to redox equilibrium + pe = -0.074 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 66990 Density (g/cm³) = 1.01025 Volume (L) = 1.01982 @@ -26591,12 +26256,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.180e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.275e-17 + Total alkalinity (eq/kg) = 6.336e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -2.068e-14 + Electrical balance (eq) = -3.563e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26611,22 +26276,21 @@ Reaction 1. Cl 5.180e-01 Cl- 5.180e-01 3.304e-01 -0.286 -0.481 -0.195 19.00 HCl 1.302e-08 2.162e-08 -7.886 -7.665 0.220 (0) -H(0) 8.471e-17 - H2 4.236e-17 4.772e-17 -16.373 -16.321 0.052 28.59 +H(0) 6.771e-17 + H2 3.385e-17 3.814e-17 -16.470 -16.419 0.052 28.59 Na 5.180e-01 Na+ 5.180e-01 3.663e-01 -0.286 -0.436 -0.150 0.10 - NaOH 5.992e-18 6.751e-18 -17.222 -17.171 0.052 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.756 -53.704 0.052 31.67 + O2 0.000e+00 0.000e+00 -53.561 -53.510 0.052 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.19 -16.32 -3.13 H2 + H2(g) -13.29 -16.42 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.50 -0.92 1.59 NaCl - O2(g) -50.70 -53.70 -3.01 O2 + O2(g) -50.50 -53.51 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26662,7 +26326,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.667 Charge balance - pe = -0.252 Adjusted to redox equilibrium + pe = 0.213 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 67100 Density (g/cm³) = 1.01028 Volume (L) = 1.01984 @@ -26670,12 +26334,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.190e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.800e-17 + Total alkalinity (eq/kg) = -2.058e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -2.321e-12 + Electrical balance (eq) = -1.184e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26690,22 +26354,21 @@ Reaction 1. Cl 5.190e-01 Cl- 5.190e-01 3.310e-01 -0.285 -0.480 -0.195 19.00 HCl 1.303e-08 2.166e-08 -7.885 -7.664 0.221 (0) -H(0) 1.541e-16 - H2 7.705e-17 8.683e-17 -16.113 -16.061 0.052 28.59 +H(0) 1.805e-17 + H2 9.026e-18 1.017e-17 -17.045 -16.993 0.052 28.59 Na 5.190e-01 Na+ 5.190e-01 3.670e-01 -0.285 -0.435 -0.150 0.10 - NaOH 6.001e-18 6.763e-18 -17.222 -17.170 0.052 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.276 -54.224 0.052 31.67 + O2 0.000e+00 0.000e+00 -52.413 -52.361 0.052 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.93 -16.06 -3.13 H2 + H2(g) -13.86 -16.99 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.50 -0.92 1.59 NaCl - O2(g) -51.22 -54.22 -3.01 O2 + O2(g) -49.35 -52.36 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26741,7 +26404,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.667 Charge balance - pe = 0.054 Adjusted to redox equilibrium + pe = -0.139 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 67676 Density (g/cm³) = 1.01047 Volume (L) = 1.01994 @@ -26749,12 +26412,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.241e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.158e-17 + Total alkalinity (eq/kg) = 5.595e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.200e-11 + Electrical balance (eq) = -1.446e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26769,22 +26432,21 @@ Reaction 1. Cl 5.241e-01 Cl- 5.241e-01 3.339e-01 -0.281 -0.476 -0.196 19.01 HCl 1.308e-08 2.186e-08 -7.883 -7.660 0.223 (0) -H(0) 3.760e-17 - H2 1.880e-17 2.121e-17 -16.726 -16.673 0.052 28.59 +H(0) 9.123e-17 + H2 4.562e-17 5.147e-17 -16.341 -16.288 0.052 28.59 Na 5.241e-01 Na+ 5.241e-01 3.705e-01 -0.281 -0.431 -0.151 0.10 - NaOH 6.049e-18 6.825e-18 -17.218 -17.166 0.052 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.052 -53.000 0.052 31.67 + O2 0.000e+00 0.000e+00 -53.822 -53.770 0.052 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.54 -16.67 -3.13 H2 + H2(g) -13.16 -16.29 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.49 -0.91 1.59 NaCl - O2(g) -49.99 -53.00 -3.01 O2 + O2(g) -50.76 -53.77 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26820,7 +26482,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.665 Charge balance - pe = 0.128 Adjusted to redox equilibrium + pe = -0.318 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 82269 Density (g/cm³) = 1.01541 Volume (L) = 1.02256 @@ -26828,12 +26490,12 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.556e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.804e-18 + Total alkalinity (eq/kg) = 3.099e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -2.810e-11 + Electrical balance (eq) = -1.152e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26848,22 +26510,21 @@ Reaction 1. Cl 6.556e-01 Cl- 6.556e-01 4.082e-01 -0.183 -0.389 -0.206 19.09 HCl 1.414e-08 2.688e-08 -7.850 -7.571 0.279 (0) -H(0) 2.623e-17 - H2 1.311e-17 1.525e-17 -16.882 -16.817 0.066 28.59 +H(0) 2.048e-16 + H2 1.024e-16 1.191e-16 -15.990 -15.924 0.066 28.59 Na 6.556e-01 Na+ 6.556e-01 4.634e-01 -0.183 -0.334 -0.151 0.18 - NaOH 7.261e-18 8.445e-18 -17.139 -17.073 0.066 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.783 -52.717 0.066 31.67 + O2 0.000e+00 0.000e+00 -54.568 -54.503 0.066 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.68 -16.82 -3.13 H2 + H2(g) -12.79 -15.92 -3.13 H2 H2O(g) -1.03 -0.01 1.03 H2O Halite -2.31 -0.72 1.59 NaCl - O2(g) -49.71 -52.72 -3.01 O2 + O2(g) -51.49 -54.50 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26899,7 +26560,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.664 Charge balance - pe = -0.407 Adjusted to redox equilibrium + pe = 0.032 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 85901 Density (g/cm³) = 1.01666 Volume (L) = 1.02324 @@ -26907,12 +26568,12 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.893e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.995e-17 + Total alkalinity (eq/kg) = 2.748e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -8.735e-15 + Electrical balance (eq) = -6.830e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26927,22 +26588,21 @@ Reaction 1. Cl 6.893e-01 Cl- 6.893e-01 4.270e-01 -0.162 -0.370 -0.208 19.11 HCl 1.433e-08 2.816e-08 -7.844 -7.550 0.293 (0) -H(0) 3.073e-16 - H2 1.536e-16 1.801e-16 -15.814 -15.745 0.069 28.59 +H(0) 4.067e-17 + H2 2.033e-17 2.383e-17 -16.692 -16.623 0.069 28.59 Na 6.893e-01 Na+ 6.893e-01 4.876e-01 -0.162 -0.312 -0.150 0.20 - NaOH 7.562e-18 8.862e-18 -17.121 -17.052 0.069 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.932 -54.863 0.069 31.67 + O2 0.000e+00 0.000e+00 -53.175 -53.106 0.069 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.61 -15.74 -3.13 H2 + H2(g) -13.49 -16.62 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.27 -0.68 1.59 NaCl - O2(g) -51.85 -54.86 -3.01 O2 + O2(g) -50.10 -53.11 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26978,7 +26638,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.663 Charge balance - pe = 0.667 Adjusted to redox equilibrium + pe = 9.288 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 95384 Density (g/cm³) = 1.01998 Volume (L) = 1.02505 @@ -26986,12 +26646,12 @@ Reaction 1. Activity of water = 0.974 Ionic strength (mol/kgw) = 7.790e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.667e-17 + Total alkalinity (eq/kg) = 5.987e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.324e-16 + Electrical balance (eq) = -3.900e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27006,22 +26666,21 @@ Reaction 1. Cl 7.790e-01 Cl- 7.790e-01 4.768e-01 -0.108 -0.322 -0.213 19.16 HCl 1.471e-08 3.156e-08 -7.832 -7.501 0.332 (0) -H(0) 2.153e-18 - H2 1.076e-18 1.288e-18 -17.968 -17.890 0.078 28.59 +H(0) 1.230e-35 + H2 6.152e-36 7.361e-36 -35.211 -35.133 0.078 28.59 Na 7.790e-01 Na+ 7.790e-01 5.528e-01 -0.108 -0.257 -0.149 0.24 - NaOH 8.342e-18 9.981e-18 -17.079 -17.001 0.078 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.652 -50.574 0.078 31.67 +O(0) 1.363e-16 + O2 6.817e-17 8.157e-17 -16.166 -16.088 0.078 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -14.76 -17.89 -3.13 H2 + H2(g) -32.00 -35.13 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.16 -0.58 1.59 NaCl - O2(g) -47.57 -50.57 -3.01 O2 + O2(g) -13.08 -16.09 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27057,7 +26716,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.663 Charge balance - pe = 9.483 Adjusted to redox equilibrium + pe = -0.621 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 95436 Density (g/cm³) = 1.02000 Volume (L) = 1.02506 @@ -27065,10 +26724,10 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.795e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.305e-17 + Total alkalinity (eq/kg) = 7.830e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.527e-10 + Electrical balance (eq) = -1.741e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.110124e+02 @@ -27085,22 +26744,21 @@ Reaction 1. Cl 7.795e-01 Cl- 7.795e-01 4.771e-01 -0.108 -0.321 -0.213 19.16 HCl 1.471e-08 3.158e-08 -7.832 -7.501 0.332 (0) -H(0) 5.030e-36 - H2 2.515e-36 3.010e-36 -35.599 -35.521 0.078 28.59 +H(0) 8.125e-16 + H2 4.063e-16 4.861e-16 -15.391 -15.313 0.078 28.59 Na 7.795e-01 Na+ 7.795e-01 5.532e-01 -0.108 -0.257 -0.149 0.24 - NaOH 8.347e-18 9.988e-18 -17.078 -17.001 0.078 (0) -O(0) 8.156e-16 - O2 4.078e-16 4.880e-16 -15.390 -15.312 0.078 31.67 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -55.806 -55.728 0.078 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -32.39 -35.52 -3.13 H2 + H2(g) -12.18 -15.31 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.16 -0.58 1.59 NaCl - O2(g) -12.30 -15.31 -3.01 O2 + O2(g) -52.72 -55.73 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27136,7 +26794,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.662 Charge balance - pe = -0.154 Adjusted to redox equilibrium + pe = -0.341 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 96264 Density (g/cm³) = 1.02029 Volume (L) = 1.02522 @@ -27144,12 +26802,12 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.875e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.304e-18 + Total alkalinity (eq/kg) = -4.729e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -4.129e-14 + Electrical balance (eq) = -6.961e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27164,22 +26822,21 @@ Reaction 1. Cl 7.875e-01 Cl- 7.875e-01 4.815e-01 -0.104 -0.317 -0.214 19.17 HCl 1.474e-08 3.188e-08 -7.832 -7.497 0.335 (0) -H(0) 9.445e-17 - H2 4.723e-17 5.662e-17 -16.326 -16.247 0.079 28.59 +H(0) 2.231e-16 + H2 1.115e-16 1.337e-16 -15.953 -15.874 0.079 28.59 Na 7.875e-01 Na+ 7.875e-01 5.590e-01 -0.104 -0.253 -0.149 0.25 - NaOH 8.415e-18 1.009e-17 -17.075 -16.996 0.079 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.939 -53.861 0.079 31.67 + O2 0.000e+00 0.000e+00 -54.686 -54.607 0.079 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.11 -16.25 -3.13 H2 + H2(g) -12.74 -15.87 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.16 -0.57 1.59 NaCl - O2(g) -50.85 -53.86 -3.01 O2 + O2(g) -51.60 -54.61 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27215,7 +26872,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.662 Charge balance - pe = -0.132 Adjusted to redox equilibrium + pe = 0.139 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 97409 Density (g/cm³) = 1.02070 Volume (L) = 1.02544 @@ -27223,12 +26880,12 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.985e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.472e-17 + Total alkalinity (eq/kg) = -2.291e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -7.790e-15 + Electrical balance (eq) = -1.348e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27243,22 +26900,21 @@ Reaction 1. Cl 7.985e-01 Cl- 7.985e-01 4.876e-01 -0.098 -0.312 -0.214 19.17 HCl 1.477e-08 3.230e-08 -7.831 -7.491 0.340 (0) -H(0) 8.502e-17 - H2 4.251e-17 5.109e-17 -16.372 -16.292 0.080 28.59 +H(0) 2.438e-17 + H2 1.219e-17 1.465e-17 -16.914 -16.834 0.080 28.59 Na 7.985e-01 Na+ 7.985e-01 5.672e-01 -0.098 -0.246 -0.149 0.25 - NaOH 8.509e-18 1.023e-17 -17.070 -16.990 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.852 -53.772 0.080 31.67 + O2 0.000e+00 0.000e+00 -52.767 -52.687 0.080 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.16 -16.29 -3.13 H2 + H2(g) -13.70 -16.83 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.14 -0.56 1.59 NaCl - O2(g) -50.76 -53.77 -3.01 O2 + O2(g) -49.68 -52.69 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27294,7 +26950,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.662 Charge balance - pe = -0.109 Adjusted to redox equilibrium + pe = 0.134 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 97564 Density (g/cm³) = 1.02075 Volume (L) = 1.02547 @@ -27302,12 +26958,12 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.295e-17 + Total alkalinity (eq/kg) = -8.748e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.722e-16 + Electrical balance (eq) = -3.302e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 56 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27322,22 +26978,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.884e-01 -0.097 -0.311 -0.214 19.17 HCl 1.477e-08 3.235e-08 -7.831 -7.490 0.340 (0) -H(0) 7.653e-17 - H2 3.827e-17 4.601e-17 -16.417 -16.337 0.080 28.59 +H(0) 2.495e-17 + H2 1.247e-17 1.500e-17 -16.904 -16.824 0.080 28.59 Na 8.000e-01 Na+ 8.000e-01 5.683e-01 -0.097 -0.245 -0.149 0.25 - NaOH 8.521e-18 1.025e-17 -17.069 -16.989 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.761 -53.681 0.080 31.67 + O2 0.000e+00 0.000e+00 -52.787 -52.707 0.080 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.20 -16.34 -3.13 H2 + H2(g) -13.69 -16.82 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.14 -0.56 1.59 NaCl - O2(g) -50.67 -53.68 -3.01 O2 + O2(g) -49.70 -52.71 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27373,7 +27028,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.662 Charge balance - pe = -0.060 Adjusted to redox equilibrium + pe = 0.102 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 101795 Density (g/cm³) = 1.02227 Volume (L) = 1.02631 @@ -27381,10 +27036,10 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.412e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.490e-17 + Total alkalinity (eq/kg) = -7.510e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.813e-10 + Electrical balance (eq) = -5.599e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -27401,22 +27056,21 @@ Reaction 1. Cl 8.412e-01 Cl- 8.411e-01 5.111e-01 -0.075 -0.291 -0.216 19.19 HCl 1.487e-08 3.391e-08 -7.828 -7.470 0.358 (0) -H(0) 6.063e-17 - H2 3.031e-17 3.679e-17 -16.518 -16.434 0.084 28.59 +H(0) 2.873e-17 + H2 1.437e-17 1.744e-17 -16.843 -16.759 0.084 28.59 Na 8.412e-01 Na+ 8.412e-01 5.988e-01 -0.075 -0.223 -0.148 0.27 - NaOH 8.869e-18 1.076e-17 -17.052 -16.968 0.084 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.572 -53.488 0.084 31.67 + O2 0.000e+00 0.000e+00 -52.924 -52.839 0.084 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.30 -16.43 -3.13 H2 + H2(g) -13.63 -16.76 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.10 -0.51 1.59 NaCl - O2(g) -50.48 -53.49 -3.01 O2 + O2(g) -49.83 -52.84 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27452,7 +27106,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.660 Charge balance - pe = -0.087 Adjusted to redox equilibrium + pe = -0.596 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 112442 Density (g/cm³) = 1.02614 Volume (L) = 1.02846 @@ -27460,12 +27114,12 @@ Reaction 1. Activity of water = 0.968 Ionic strength (mol/kgw) = 9.471e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.295e-17 + Total alkalinity (eq/kg) = 2.924e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -3.797e-10 + Electrical balance (eq) = -5.478e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 63 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27480,22 +27134,21 @@ Reaction 1. Cl 9.471e-01 Cl- 9.471e-01 5.693e-01 -0.024 -0.245 -0.221 19.25 HCl 1.498e-08 3.790e-08 -7.824 -7.421 0.403 (0) -H(0) 6.754e-17 - H2 3.377e-17 4.200e-17 -16.471 -16.377 0.095 28.59 +H(0) 7.026e-16 + H2 3.513e-16 4.369e-16 -15.454 -15.360 0.095 28.59 Na 9.471e-01 Na+ 9.471e-01 6.789e-01 -0.024 -0.168 -0.145 0.32 - NaOH 9.741e-18 1.211e-17 -17.011 -16.917 0.095 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.701 -53.606 0.095 31.67 + O2 0.000e+00 0.000e+00 -55.735 -55.640 0.095 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.24 -16.38 -3.13 H2 + H2(g) -12.23 -15.36 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -2.00 -0.41 1.59 NaCl - O2(g) -50.60 -53.61 -3.01 O2 + O2(g) -52.63 -55.64 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27531,7 +27184,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.660 Charge balance - pe = 0.107 Adjusted to redox equilibrium + pe = -0.011 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 114073 Density (g/cm³) = 1.02675 Volume (L) = 1.02880 @@ -27539,12 +27192,12 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.636e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.203e-17 + Total alkalinity (eq/kg) = 4.295e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.148e-10 + Electrical balance (eq) = -8.409e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27559,22 +27212,21 @@ Reaction 1. Cl 9.636e-01 Cl- 9.636e-01 5.784e-01 -0.016 -0.238 -0.222 19.25 HCl 1.498e-08 3.853e-08 -7.824 -7.414 0.410 (0) -H(0) 2.757e-17 - H2 1.379e-17 1.721e-17 -16.861 -16.764 0.096 28.59 +H(0) 4.740e-17 + H2 2.370e-17 2.959e-17 -16.625 -16.529 0.096 28.59 Na 9.636e-01 Na+ 9.636e-01 6.916e-01 -0.016 -0.160 -0.144 0.33 - NaOH 9.874e-18 1.233e-17 -17.005 -16.909 0.096 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.928 -52.832 0.096 31.67 + O2 0.000e+00 0.000e+00 -53.399 -53.302 0.096 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.63 -16.76 -3.13 H2 + H2(g) -13.40 -16.53 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -1.98 -0.40 1.59 NaCl - O2(g) -49.82 -52.83 -3.01 O2 + O2(g) -50.29 -53.30 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27610,7 +27262,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.660 Charge balance - pe = 0.427 Adjusted to redox equilibrium + pe = 0.061 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 114240 Density (g/cm³) = 1.02681 Volume (L) = 1.02884 @@ -27618,12 +27270,12 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.654e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.784e-17 + Total alkalinity (eq/kg) = 3.013e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.967e-11 + Electrical balance (eq) = -2.206e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27638,22 +27290,21 @@ Reaction 1. Cl 9.654e-01 Cl- 9.654e-01 5.793e-01 -0.015 -0.237 -0.222 19.26 HCl 1.498e-08 3.859e-08 -7.824 -7.414 0.411 (0) -H(0) 6.306e-18 - H2 3.153e-18 3.938e-18 -17.501 -17.405 0.097 28.59 +H(0) 3.403e-17 + H2 1.701e-17 2.125e-17 -16.769 -16.673 0.097 28.59 Na 9.654e-01 Na+ 9.654e-01 6.929e-01 -0.015 -0.159 -0.144 0.33 - NaOH 9.888e-18 1.235e-17 -17.005 -16.908 0.097 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.647 -51.551 0.097 31.67 + O2 0.000e+00 0.000e+00 -53.111 -53.015 0.097 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -14.27 -17.40 -3.13 H2 + H2(g) -13.54 -16.67 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -1.98 -0.40 1.59 NaCl - O2(g) -48.54 -51.55 -3.01 O2 + O2(g) -50.01 -53.01 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27689,7 +27340,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.659 Charge balance - pe = -0.153 Adjusted to redox equilibrium + pe = 0.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 117113 Density (g/cm³) = 1.02787 Volume (L) = 1.02944 @@ -27697,12 +27348,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.947e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.448e-17 + Total alkalinity (eq/kg) = -3.090e-18 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.933e-12 + Electrical balance (eq) = -4.995e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27717,22 +27368,21 @@ Reaction 1. Cl 9.947e-01 Cl- 9.947e-01 5.954e-01 -0.002 -0.225 -0.223 19.27 HCl 1.498e-08 3.970e-08 -7.825 -7.401 0.423 (0) -H(0) 9.077e-17 - H2 4.539e-17 5.707e-17 -16.343 -16.244 0.099 28.59 +H(0) 1.062e-17 + H2 5.312e-18 6.679e-18 -17.275 -17.175 0.099 28.59 Na 9.947e-01 Na+ 9.947e-01 7.156e-01 -0.002 -0.145 -0.143 0.34 - NaOH 1.012e-17 1.273e-17 -16.995 -16.895 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.973 -53.874 0.099 31.67 + O2 0.000e+00 0.000e+00 -52.110 -52.011 0.099 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.11 -16.24 -3.13 H2 + H2(g) -14.04 -17.18 -3.13 H2 H2O(g) -1.04 -0.01 1.03 H2O Halite -1.96 -0.37 1.59 NaCl - O2(g) -50.87 -53.87 -3.01 O2 + O2(g) -49.00 -52.01 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27768,7 +27418,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.659 Charge balance - pe = 0.212 Adjusted to redox equilibrium + pe = -0.331 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 117627 Density (g/cm³) = 1.02807 Volume (L) = 1.02955 @@ -27776,12 +27426,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.347e-17 + Total alkalinity (eq/kg) = 9.627e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -5.922e-14 + Electrical balance (eq) = -4.304e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27796,22 +27446,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 5.983e-01 -0.000 -0.223 -0.223 19.27 HCl 1.497e-08 3.990e-08 -7.825 -7.399 0.426 (0) -H(0) 1.690e-17 - H2 8.450e-18 1.064e-17 -17.073 -16.973 0.100 28.59 +H(0) 2.057e-16 + H2 1.029e-16 1.295e-16 -15.988 -15.888 0.100 28.59 Na 1.000e+00 Na+ 1.000e+00 7.197e-01 0.000 -0.143 -0.143 0.35 - NaOH 1.017e-17 1.280e-17 -16.993 -16.893 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.515 -52.415 0.100 31.67 + O2 0.000e+00 0.000e+00 -54.686 -54.586 0.100 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.84 -16.97 -3.13 H2 + H2(g) -12.75 -15.89 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.95 -0.37 1.59 NaCl - O2(g) -49.41 -52.42 -3.01 O2 + O2(g) -51.58 -54.59 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27847,7 +27496,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.659 Charge balance - pe = 0.212 Adjusted to redox equilibrium + pe = -0.331 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 117627 Density (g/cm³) = 1.02807 Volume (L) = 1.02955 @@ -27855,12 +27504,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.347e-17 + Total alkalinity (eq/kg) = 9.627e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -5.922e-14 + Electrical balance (eq) = -4.304e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27875,22 +27524,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 5.983e-01 -0.000 -0.223 -0.223 19.27 HCl 1.497e-08 3.990e-08 -7.825 -7.399 0.426 (0) -H(0) 1.690e-17 - H2 8.450e-18 1.064e-17 -17.073 -16.973 0.100 28.59 +H(0) 2.057e-16 + H2 1.029e-16 1.295e-16 -15.988 -15.888 0.100 28.59 Na 1.000e+00 Na+ 1.000e+00 7.197e-01 0.000 -0.143 -0.143 0.35 - NaOH 1.017e-17 1.280e-17 -16.993 -16.893 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.515 -52.415 0.100 31.67 + O2 0.000e+00 0.000e+00 -54.686 -54.586 0.100 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.84 -16.97 -3.13 H2 + H2(g) -12.75 -15.89 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.95 -0.37 1.59 NaCl - O2(g) -49.41 -52.42 -3.01 O2 + O2(g) -51.58 -54.59 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27926,7 +27574,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.659 Charge balance - pe = 0.212 Adjusted to redox equilibrium + pe = -0.331 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 117627 Density (g/cm³) = 1.02807 Volume (L) = 1.02955 @@ -27934,12 +27582,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.347e-17 + Total alkalinity (eq/kg) = 9.627e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -5.922e-14 + Electrical balance (eq) = -4.304e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27954,22 +27602,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 5.983e-01 -0.000 -0.223 -0.223 19.27 HCl 1.497e-08 3.990e-08 -7.825 -7.399 0.426 (0) -H(0) 1.690e-17 - H2 8.450e-18 1.064e-17 -17.073 -16.973 0.100 28.59 +H(0) 2.057e-16 + H2 1.029e-16 1.295e-16 -15.988 -15.888 0.100 28.59 Na 1.000e+00 Na+ 1.000e+00 7.197e-01 0.000 -0.143 -0.143 0.35 - NaOH 1.017e-17 1.280e-17 -16.993 -16.893 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.515 -52.415 0.100 31.67 + O2 0.000e+00 0.000e+00 -54.686 -54.586 0.100 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.84 -16.97 -3.13 H2 + H2(g) -12.75 -15.89 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.95 -0.37 1.59 NaCl - O2(g) -49.41 -52.42 -3.01 O2 + O2(g) -51.58 -54.59 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28005,7 +27652,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.659 Charge balance - pe = 0.212 Adjusted to redox equilibrium + pe = -0.331 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 117627 Density (g/cm³) = 1.02807 Volume (L) = 1.02955 @@ -28013,12 +27660,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.347e-17 + Total alkalinity (eq/kg) = 9.627e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -5.922e-14 + Electrical balance (eq) = -4.304e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28033,22 +27680,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 5.983e-01 -0.000 -0.223 -0.223 19.27 HCl 1.497e-08 3.990e-08 -7.825 -7.399 0.426 (0) -H(0) 1.690e-17 - H2 8.450e-18 1.064e-17 -17.073 -16.973 0.100 28.59 +H(0) 2.057e-16 + H2 1.029e-16 1.295e-16 -15.988 -15.888 0.100 28.59 Na 1.000e+00 Na+ 1.000e+00 7.197e-01 0.000 -0.143 -0.143 0.35 - NaOH 1.017e-17 1.280e-17 -16.993 -16.893 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.515 -52.415 0.100 31.67 + O2 0.000e+00 0.000e+00 -54.686 -54.586 0.100 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.84 -16.97 -3.13 H2 + H2(g) -12.75 -15.89 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.95 -0.37 1.59 NaCl - O2(g) -49.41 -52.42 -3.01 O2 + O2(g) -51.58 -54.59 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28084,7 +27730,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.659 Charge balance - pe = 9.795 Adjusted to redox equilibrium + pe = -0.140 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 122492 Density (g/cm³) = 1.02989 Volume (L) = 1.03058 @@ -28092,12 +27738,12 @@ Reaction 1. Activity of water = 0.964 Ionic strength (mol/kgw) = 1.050e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.371e-16 + Total alkalinity (eq/kg) = 5.544e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.225e-12 + Electrical balance (eq) = -8.360e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 20 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28112,22 +27758,21 @@ Reaction 1. Cl 1.050e+00 Cl- 1.050e+00 6.258e-01 0.021 -0.204 -0.225 19.29 HCl 1.493e-08 4.180e-08 -7.826 -7.379 0.447 (0) -H(0) 1.143e-36 - H2 5.715e-37 7.279e-37 -36.243 -36.138 0.105 28.59 +H(0) 8.471e-17 + H2 4.236e-17 5.395e-17 -16.373 -16.268 0.105 28.59 Na 1.050e+00 Na+ 1.050e+00 7.591e-01 0.021 -0.120 -0.141 0.37 - NaOH 1.056e-17 1.345e-17 -16.976 -16.871 0.105 (0) -O(0) 1.285e-14 - O2 6.426e-15 8.184e-15 -14.192 -14.087 0.105 31.67 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -53.932 -53.827 0.105 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -33.01 -36.14 -3.13 H2 + H2(g) -13.14 -16.27 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.91 -0.32 1.59 NaCl - O2(g) -11.08 -14.09 -3.01 O2 + O2(g) -50.82 -53.83 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28163,7 +27808,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.658 Charge balance - pe = -0.850 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 126192 Density (g/cm³) = 1.03130 Volume (L) = 1.03138 @@ -28171,12 +27816,12 @@ Reaction 1. Activity of water = 0.963 Ionic strength (mol/kgw) = 1.089e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.131e-16 + Total alkalinity (eq/kg) = 1.614e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -1.235e-12 + Electrical balance (eq) = -1.716e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28191,22 +27836,21 @@ Reaction 1. Cl 1.089e+00 Cl- 1.089e+00 6.470e-01 0.037 -0.189 -0.226 19.31 HCl 1.488e-08 4.326e-08 -7.827 -7.364 0.464 (0) -H(0) 2.212e-15 - H2 1.106e-15 1.421e-15 -14.956 -14.847 0.109 28.59 +H(0) 9.260e-17 + H2 4.630e-17 5.950e-17 -16.334 -16.225 0.109 28.59 Na 1.089e+00 Na+ 1.089e+00 7.899e-01 0.037 -0.102 -0.140 0.38 - NaOH 1.087e-17 1.396e-17 -16.964 -16.855 0.109 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.778 -56.669 0.109 31.67 + O2 0.000e+00 0.000e+00 -54.022 -53.913 0.109 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.71 -14.85 -3.13 H2 + H2(g) -13.09 -16.23 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.88 -0.29 1.59 NaCl - O2(g) -53.66 -56.67 -3.01 O2 + O2(g) -50.90 -53.91 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28242,7 +27886,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.657 Charge balance - pe = -0.148 Adjusted to redox equilibrium + pe = -0.295 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 136483 Density (g/cm³) = 1.03527 Volume (L) = 1.03367 @@ -28250,12 +27894,12 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.982e-17 + Total alkalinity (eq/kg) = -4.052e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -4.308e-10 + Electrical balance (eq) = -4.742e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 24 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28270,22 +27914,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.073e-01 0.079 -0.150 -0.230 19.36 HCl 1.464e-08 4.744e-08 -7.835 -7.324 0.511 (0) -H(0) 8.567e-17 - H2 4.283e-17 5.647e-17 -16.368 -16.248 0.120 28.59 +H(0) 1.681e-16 + H2 8.405e-17 1.108e-16 -16.075 -15.955 0.120 28.59 Na 1.200e+00 Na+ 1.200e+00 8.792e-01 0.079 -0.056 -0.135 0.43 - NaOH 1.171e-17 1.543e-17 -16.932 -16.812 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.991 -53.871 0.120 31.67 + O2 0.000e+00 0.000e+00 -54.576 -54.456 0.120 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.12 -16.25 -3.13 H2 + H2(g) -12.82 -15.96 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.79 -0.21 1.59 NaCl - O2(g) -50.86 -53.87 -3.01 O2 + O2(g) -51.45 -54.46 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28321,7 +27964,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.656 Charge balance - pe = 0.375 Adjusted to redox equilibrium + pe = 0.275 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 138797 Density (g/cm³) = 1.03618 Volume (L) = 1.03420 @@ -28329,12 +27972,12 @@ Reaction 1. Activity of water = 0.958 Ionic strength (mol/kgw) = 1.225e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.841e-19 + Total alkalinity (eq/kg) = -1.266e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -4.197e-14 + Electrical balance (eq) = -5.746e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28349,22 +27992,21 @@ Reaction 1. Cl 1.225e+00 Cl- 1.225e+00 7.211e-01 0.088 -0.142 -0.230 19.37 HCl 1.456e-08 4.840e-08 -7.837 -7.315 0.522 (0) -H(0) 7.653e-18 - H2 3.826e-18 5.074e-18 -17.417 -17.295 0.123 28.59 +H(0) 1.217e-17 + H2 6.087e-18 8.071e-18 -17.216 -17.093 0.123 28.59 Na 1.225e+00 Na+ 1.225e+00 9.001e-01 0.088 -0.046 -0.134 0.44 - NaOH 1.190e-17 1.578e-17 -16.925 -16.802 0.123 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.901 -51.779 0.123 31.67 + O2 0.000e+00 0.000e+00 -52.305 -52.182 0.123 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -14.16 -17.29 -3.13 H2 + H2(g) -13.96 -17.09 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.77 -0.19 1.59 NaCl - O2(g) -48.77 -51.78 -3.01 O2 + O2(g) -49.17 -52.18 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28400,7 +28042,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.656 Charge balance - pe = 1.740 Adjusted to redox equilibrium + pe = -0.047 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 142009 Density (g/cm³) = 1.03745 Volume (L) = 1.03494 @@ -28408,12 +28050,12 @@ Reaction 1. Activity of water = 0.957 Ionic strength (mol/kgw) = 1.261e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.740e-18 + Total alkalinity (eq/kg) = -1.073e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -6.641e-15 + Electrical balance (eq) = -3.793e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28428,22 +28070,21 @@ Reaction 1. Cl 1.261e+00 Cl- 1.261e+00 7.405e-01 0.101 -0.130 -0.231 19.38 HCl 1.446e-08 4.974e-08 -7.840 -7.303 0.537 (0) -H(0) 1.417e-20 - H2 7.086e-21 9.473e-21 -20.150 -20.024 0.126 28.59 +H(0) 5.319e-17 + H2 2.660e-17 3.556e-17 -16.575 -16.449 0.126 28.59 Na 1.261e+00 Na+ 1.261e+00 9.296e-01 0.101 -0.032 -0.132 0.45 - NaOH 1.216e-17 1.626e-17 -16.915 -16.789 0.126 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.448 -46.322 0.126 31.67 + O2 0.000e+00 0.000e+00 -53.597 -53.471 0.126 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -16.89 -20.02 -3.13 H2 + H2(g) -13.32 -16.45 -3.13 H2 H2O(g) -1.04 -0.02 1.03 H2O Halite -1.75 -0.16 1.59 NaCl - O2(g) -43.31 -46.32 -3.01 O2 + O2(g) -50.46 -53.47 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28479,7 +28120,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.654 Charge balance - pe = -0.253 Adjusted to redox equilibrium + pe = -0.073 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 156858 Density (g/cm³) = 1.04346 Volume (L) = 1.03849 @@ -28487,10 +28128,10 @@ Reaction 1. Activity of water = 0.951 Ionic strength (mol/kgw) = 1.431e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.464e-17 + Total alkalinity (eq/kg) = 1.383e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 1.844e-11 + Electrical balance (eq) = 3.433e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -28507,22 +28148,21 @@ Reaction 1. Cl 1.431e+00 Cl- 1.431e+00 8.328e-01 0.156 -0.079 -0.235 19.45 HCl 1.382e-08 5.617e-08 -7.859 -7.251 0.609 (0) -H(0) 1.333e-16 - H2 6.667e-17 9.269e-17 -16.176 -16.033 0.143 28.59 +H(0) 5.809e-17 + H2 2.905e-17 4.038e-17 -16.537 -16.394 0.143 28.59 Na 1.431e+00 Na+ 1.431e+00 1.075e+00 0.156 0.031 -0.124 0.51 - NaOH 1.338e-17 1.861e-17 -16.873 -16.730 0.143 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.452 -54.309 0.143 31.67 + O2 0.000e+00 0.000e+00 -53.730 -53.587 0.143 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.90 -16.03 -3.13 H2 + H2(g) -13.26 -16.39 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O Halite -1.63 -0.05 1.59 NaCl - O2(g) -51.30 -54.31 -3.01 O2 + O2(g) -50.58 -53.59 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28558,7 +28198,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.654 Charge balance - pe = 0.198 Adjusted to redox equilibrium + pe = 9.238 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 162827 Density (g/cm³) = 1.04595 Volume (L) = 1.03998 @@ -28566,12 +28206,12 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.502e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.517e-16 + Total alkalinity (eq/kg) = 8.586e-18 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 2.413e-10 + Electrical balance (eq) = 1.304e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28586,22 +28226,21 @@ Reaction 1. Cl 1.502e+00 Cl- 1.502e+00 8.713e-01 0.177 -0.060 -0.236 19.47 HCl 1.351e-08 5.886e-08 -7.869 -7.230 0.639 (0) -H(0) 1.644e-17 - H2 8.221e-18 1.162e-17 -17.085 -16.935 0.150 28.59 +H(0) 1.369e-35 + H2 6.843e-36 9.670e-36 -35.165 -35.015 0.150 28.59 Na 1.502e+00 Na+ 1.502e+00 1.137e+00 0.177 0.056 -0.121 0.54 - NaOH 1.388e-17 1.961e-17 -16.858 -16.708 0.150 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.657 -52.507 0.150 31.67 +O(0) 6.357e-17 + O2 3.178e-17 4.492e-17 -16.498 -16.348 0.150 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.80 -16.93 -3.13 H2 + H2(g) -31.88 -35.01 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O Halite -1.59 -0.00 1.59 NaCl - O2(g) -49.50 -52.51 -3.01 O2 + O2(g) -13.34 -16.35 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28637,7 +28276,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.653 Charge balance - pe = -0.130 Adjusted to redox equilibrium + pe = 0.162 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 166721 Density (g/cm³) = 1.04760 Volume (L) = 1.04098 @@ -28645,10 +28284,10 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.549e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.177e-16 + Total alkalinity (eq/kg) = 2.764e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -2.205e-09 + Electrical balance (eq) = -8.209e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -28665,22 +28304,21 @@ Reaction 1. Cl 1.549e+00 Cl- 1.549e+00 8.969e-01 0.190 -0.047 -0.237 19.49 HCl 1.329e-08 6.065e-08 -7.876 -7.217 0.659 (0) -H(0) 7.379e-17 - H2 3.690e-17 5.271e-17 -16.433 -16.278 0.155 28.59 +H(0) 1.927e-17 + H2 9.636e-18 1.377e-17 -17.016 -16.861 0.155 28.59 Na 1.549e+00 Na+ 1.549e+00 1.179e+00 0.190 0.072 -0.118 0.55 - NaOH 1.420e-17 2.029e-17 -16.848 -16.693 0.155 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.977 -53.822 0.155 31.67 + O2 0.000e+00 0.000e+00 -52.811 -52.656 0.155 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.15 -16.28 -3.13 H2 + H2(g) -13.73 -16.86 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O Halite -1.56 0.02 1.59 NaCl - O2(g) -50.81 -53.82 -3.01 O2 + O2(g) -49.65 -52.66 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28716,7 +28354,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.653 Charge balance - pe = 0.251 Adjusted to redox equilibrium + pe = 0.107 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 167331 Density (g/cm³) = 1.04786 Volume (L) = 1.04113 @@ -28724,12 +28362,12 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.556e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.210e-17 + Total alkalinity (eq/kg) = 4.413e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -8.258e-10 + Electrical balance (eq) = -2.453e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28744,22 +28382,21 @@ Reaction 1. Cl 1.556e+00 Cl- 1.556e+00 9.010e-01 0.192 -0.045 -0.237 19.49 HCl 1.326e-08 6.093e-08 -7.878 -7.215 0.662 (0) -H(0) 1.279e-17 - H2 6.393e-18 9.148e-18 -17.194 -17.039 0.156 28.59 +H(0) 2.477e-17 + H2 1.239e-17 1.773e-17 -16.907 -16.751 0.156 28.59 Na 1.556e+00 Na+ 1.556e+00 1.186e+00 0.192 0.074 -0.118 0.56 - NaOH 1.425e-17 2.039e-17 -16.846 -16.691 0.156 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.457 -52.301 0.156 31.67 + O2 0.000e+00 0.000e+00 -53.031 -52.876 0.156 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.91 -17.04 -3.13 H2 + H2(g) -13.62 -16.75 -3.13 H2 H2O(g) -1.05 -0.02 1.03 H2O Halite -1.56 0.03 1.59 NaCl - O2(g) -49.29 -52.30 -3.01 O2 + O2(g) -49.87 -52.88 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28795,7 +28432,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance - pe = -0.353 Adjusted to redox equilibrium + pe = -0.436 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 185204 Density (g/cm³) = 1.05568 Volume (L) = 1.04593 @@ -28803,12 +28440,12 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.782e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.961e-16 + Total alkalinity (eq/kg) = 9.360e-18 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = -5.104e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Electrical balance (eq) = 4.001e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28823,22 +28460,21 @@ Reaction 1. Cl 1.782e+00 Cl- 1.782e+00 1.024e+00 0.251 0.010 -0.241 19.57 HCl 1.212e-08 6.955e-08 -7.916 -7.158 0.759 (0) -H(0) 1.969e-16 - H2 9.844e-17 1.484e-16 -16.007 -15.829 0.178 28.59 +H(0) 2.890e-16 + H2 1.445e-16 2.178e-16 -15.840 -15.662 0.178 28.59 Na 1.782e+00 Na+ 1.782e+00 1.398e+00 0.251 0.145 -0.106 0.63 - NaOH 1.575e-17 2.374e-17 -16.803 -16.625 0.178 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.907 -54.728 0.178 31.67 + O2 0.000e+00 0.000e+00 -55.240 -55.062 0.178 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.70 -15.83 -3.13 H2 + H2(g) -12.53 -15.66 -3.13 H2 H2O(g) -1.05 -0.03 1.03 H2O Halite -1.43 0.16 1.59 NaCl - O2(g) -51.72 -54.73 -3.01 O2 + O2(g) -52.05 -55.06 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28874,7 +28510,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance - pe = 0.079 Adjusted to redox equilibrium + pe = -0.738 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 186548 Density (g/cm³) = 1.05629 Volume (L) = 1.04631 @@ -28882,12 +28518,12 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.682e-17 + Total alkalinity (eq/kg) = 1.693e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 2.847e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.349e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28902,22 +28538,21 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.034e+00 0.255 0.014 -0.241 19.57 HCl 1.203e-08 7.022e-08 -7.920 -7.154 0.766 (0) -H(0) 2.684e-17 - H2 1.342e-17 2.031e-17 -16.872 -16.692 0.180 28.59 +H(0) 1.157e-15 + H2 5.787e-16 8.758e-16 -15.238 -15.058 0.180 28.59 Na 1.800e+00 Na+ 1.800e+00 1.415e+00 0.255 0.151 -0.105 0.63 - NaOH 1.586e-17 2.401e-17 -16.800 -16.620 0.180 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.182 -53.002 0.180 31.67 + O2 0.000e+00 0.000e+00 -56.451 -56.271 0.180 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.56 -16.69 -3.13 H2 + H2(g) -11.92 -15.06 -3.13 H2 H2O(g) -1.05 -0.03 1.03 H2O Halite -1.42 0.17 1.59 NaCl - O2(g) -49.99 -53.00 -3.01 O2 + O2(g) -53.26 -56.27 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28953,7 +28588,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -0.306 Adjusted to redox equilibrium + pe = -0.153 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 198731 Density (g/cm³) = 1.06192 Volume (L) = 1.04984 @@ -28961,12 +28596,12 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.965e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.155e-17 + Total alkalinity (eq/kg) = 7.447e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 9.125e-15 + Electrical balance (eq) = 1.576e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28981,22 +28616,21 @@ Reaction 1. Cl 1.965e+00 Cl- 1.965e+00 1.124e+00 0.293 0.051 -0.243 19.63 HCl 1.116e-08 7.654e-08 -7.952 -7.116 0.836 (0) -H(0) 1.528e-16 - H2 7.642e-17 1.201e-16 -16.117 -15.920 0.197 28.59 +H(0) 7.585e-17 + H2 3.793e-17 5.963e-17 -16.421 -16.225 0.197 28.59 Na 1.965e+00 Na+ 1.965e+00 1.579e+00 0.293 0.198 -0.095 0.68 - NaOH 1.690e-17 2.657e-17 -16.772 -16.576 0.197 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.747 -54.551 0.197 31.67 + O2 0.000e+00 0.000e+00 -54.139 -53.942 0.197 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.79 -15.92 -3.13 H2 + H2(g) -13.09 -16.22 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.34 0.25 1.59 NaCl - O2(g) -51.54 -54.55 -3.01 O2 + O2(g) -50.93 -53.94 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29032,7 +28666,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = 8.748 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 201234 Density (g/cm³) = 1.06311 Volume (L) = 1.05059 @@ -29040,12 +28674,12 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.962e-17 + Total alkalinity (eq/kg) = 4.479e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 3.757e-14 + Electrical balance (eq) = 1.792e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29060,22 +28694,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.143e+00 0.301 0.058 -0.243 19.64 HCl 1.097e-08 7.789e-08 -7.960 -7.109 0.851 (0) -H(0) 9.035e-17 - H2 4.517e-17 7.160e-17 -16.345 -16.145 0.200 28.59 +H(0) 1.187e-34 + H2 5.937e-35 9.409e-35 -34.226 -34.026 0.200 28.59 Na 2.000e+00 Na+ 2.000e+00 1.615e+00 0.301 0.208 -0.093 0.69 - NaOH 1.711e-17 2.712e-17 -16.767 -16.567 0.200 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.302 -54.102 0.200 31.67 +O(0) 5.775e-19 + O2 2.887e-19 4.576e-19 -18.540 -18.340 0.200 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.01 -16.15 -3.13 H2 + H2(g) -30.89 -34.03 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.32 0.27 1.59 NaCl - O2(g) -51.09 -54.10 -3.01 O2 + O2(g) -15.33 -18.34 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29111,7 +28744,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = 8.748 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 201234 Density (g/cm³) = 1.06311 Volume (L) = 1.05059 @@ -29119,12 +28752,12 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.962e-17 + Total alkalinity (eq/kg) = 4.479e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 3.757e-14 + Electrical balance (eq) = 1.792e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29139,22 +28772,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.143e+00 0.301 0.058 -0.243 19.64 HCl 1.097e-08 7.789e-08 -7.960 -7.109 0.851 (0) -H(0) 9.035e-17 - H2 4.517e-17 7.160e-17 -16.345 -16.145 0.200 28.59 +H(0) 1.187e-34 + H2 5.937e-35 9.409e-35 -34.226 -34.026 0.200 28.59 Na 2.000e+00 Na+ 2.000e+00 1.615e+00 0.301 0.208 -0.093 0.69 - NaOH 1.711e-17 2.712e-17 -16.767 -16.567 0.200 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.302 -54.102 0.200 31.67 +O(0) 5.775e-19 + O2 2.887e-19 4.576e-19 -18.540 -18.340 0.200 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.01 -16.15 -3.13 H2 + H2(g) -30.89 -34.03 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.32 0.27 1.59 NaCl - O2(g) -51.09 -54.10 -3.01 O2 + O2(g) -15.33 -18.34 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29190,7 +28822,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = 8.748 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 201234 Density (g/cm³) = 1.06311 Volume (L) = 1.05059 @@ -29198,12 +28830,12 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.962e-17 + Total alkalinity (eq/kg) = 4.479e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 3.757e-14 + Electrical balance (eq) = 1.792e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29218,22 +28850,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.143e+00 0.301 0.058 -0.243 19.64 HCl 1.097e-08 7.789e-08 -7.960 -7.109 0.851 (0) -H(0) 9.035e-17 - H2 4.517e-17 7.160e-17 -16.345 -16.145 0.200 28.59 +H(0) 1.187e-34 + H2 5.937e-35 9.409e-35 -34.226 -34.026 0.200 28.59 Na 2.000e+00 Na+ 2.000e+00 1.615e+00 0.301 0.208 -0.093 0.69 - NaOH 1.711e-17 2.712e-17 -16.767 -16.567 0.200 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.302 -54.102 0.200 31.67 +O(0) 5.775e-19 + O2 2.887e-19 4.576e-19 -18.540 -18.340 0.200 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.01 -16.15 -3.13 H2 + H2(g) -30.89 -34.03 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.32 0.27 1.59 NaCl - O2(g) -51.09 -54.10 -3.01 O2 + O2(g) -15.33 -18.34 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29269,7 +28900,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.650 Charge balance - pe = -0.019 Adjusted to redox equilibrium + pe = -0.112 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 201475 Density (g/cm³) = 1.06322 Volume (L) = 1.05066 @@ -29277,12 +28908,12 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.029e-17 + Total alkalinity (eq/kg) = 6.222e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 4.470e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Electrical balance (eq) = -1.340e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29297,22 +28928,21 @@ Reaction 1. Cl 2.003e+00 Cl- 2.003e+00 1.145e+00 0.302 0.059 -0.243 19.64 HCl 1.095e-08 7.802e-08 -7.960 -7.108 0.853 (0) -H(0) 4.052e-17 - H2 2.026e-17 3.213e-17 -16.693 -16.493 0.200 28.59 +H(0) 6.230e-17 + H2 3.115e-17 4.941e-17 -16.507 -16.306 0.200 28.59 Na 2.003e+00 Na+ 2.003e+00 1.619e+00 0.302 0.209 -0.093 0.69 - NaOH 1.713e-17 2.718e-17 -16.766 -16.566 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.607 -53.406 0.200 31.67 + O2 0.000e+00 0.000e+00 -53.980 -53.780 0.200 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.36 -16.49 -3.13 H2 + H2(g) -13.17 -16.31 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.32 0.27 1.59 NaCl - O2(g) -50.40 -53.41 -3.01 O2 + O2(g) -50.77 -53.78 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29348,7 +28978,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.649 Charge balance - pe = -0.716 Adjusted to redox equilibrium + pe = -0.823 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 208444 Density (g/cm³) = 1.06658 Volume (L) = 1.05281 @@ -29356,12 +28986,12 @@ Reaction 1. Activity of water = 0.928 Ionic strength (mol/kgw) = 2.103e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.586e-17 + Total alkalinity (eq/kg) = 7.646e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 3.301e-13 + Electrical balance (eq) = 2.430e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 38 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29376,22 +29006,21 @@ Reaction 1. Cl 2.103e+00 Cl- 2.103e+00 1.200e+00 0.323 0.079 -0.244 19.67 HCl 1.042e-08 8.186e-08 -7.982 -7.087 0.895 (0) -H(0) 9.851e-16 - H2 4.926e-16 7.994e-16 -15.308 -15.097 0.210 28.59 +H(0) 1.609e-15 + H2 8.047e-16 1.306e-15 -15.094 -14.884 0.210 28.59 Na 2.103e+00 Na+ 2.103e+00 1.723e+00 0.323 0.236 -0.087 0.72 - NaOH 1.774e-17 2.879e-17 -16.751 -16.541 0.210 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.412 -56.201 0.210 31.67 + O2 0.000e+00 0.000e+00 -56.838 -56.628 0.210 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.96 -15.10 -3.13 H2 + H2(g) -11.75 -14.88 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.27 0.32 1.59 NaCl - O2(g) -53.19 -56.20 -3.01 O2 + O2(g) -53.62 -56.63 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29427,7 +29056,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.649 Charge balance - pe = 9.458 Adjusted to redox equilibrium + pe = -0.257 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 208855 Density (g/cm³) = 1.06679 Volume (L) = 1.05294 @@ -29435,12 +29064,12 @@ Reaction 1. Activity of water = 0.928 Ionic strength (mol/kgw) = 2.109e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.766e-16 + Total alkalinity (eq/kg) = -1.623e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 2.338e-13 + Electrical balance (eq) = 3.821e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29455,22 +29084,21 @@ Reaction 1. Cl 2.109e+00 Cl- 2.109e+00 1.203e+00 0.324 0.080 -0.244 19.67 HCl 1.039e-08 8.209e-08 -7.983 -7.086 0.898 (0) -H(0) 4.402e-36 - H2 2.201e-36 3.577e-36 -35.657 -35.446 0.211 28.59 +H(0) 1.188e-16 + H2 5.941e-17 9.655e-17 -16.226 -16.015 0.211 28.59 Na 2.109e+00 Na+ 2.109e+00 1.729e+00 0.324 0.238 -0.086 0.72 - NaOH 1.777e-17 2.888e-17 -16.750 -16.539 0.211 (0) -O(0) 3.865e-16 - O2 1.933e-16 3.141e-16 -15.714 -15.503 0.211 31.67 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -54.576 -54.365 0.211 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -32.31 -35.45 -3.13 H2 + H2(g) -12.88 -16.02 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.27 0.32 1.59 NaCl - O2(g) -12.49 -15.50 -3.01 O2 + O2(g) -51.36 -54.37 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29506,7 +29134,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.649 Charge balance - pe = -0.025 Adjusted to redox equilibrium + pe = -0.204 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 218425 Density (g/cm³) = 1.07156 Volume (L) = 1.05603 @@ -29514,12 +29142,12 @@ Reaction 1. Activity of water = 0.923 Ionic strength (mol/kgw) = 2.252e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.723e-17 + Total alkalinity (eq/kg) = 4.984e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 1.812e-15 + Electrical balance (eq) = 9.778e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29534,22 +29162,21 @@ Reaction 1. Cl 2.252e+00 Cl- 2.252e+00 1.282e+00 0.353 0.108 -0.245 19.71 HCl 9.642e-09 8.760e-08 -8.016 -7.057 0.958 (0) -H(0) 3.951e-17 - H2 1.976e-17 3.318e-17 -16.704 -16.479 0.225 28.59 +H(0) 9.046e-17 + H2 4.523e-17 7.597e-17 -16.345 -16.119 0.225 28.59 Na 2.252e+00 Na+ 2.252e+00 1.884e+00 0.353 0.275 -0.077 0.76 - NaOH 1.861e-17 3.126e-17 -16.730 -16.505 0.225 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.667 -53.442 0.225 31.67 + O2 0.000e+00 0.000e+00 -54.387 -54.162 0.225 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.35 -16.48 -3.13 H2 + H2(g) -12.99 -16.12 -3.13 H2 H2O(g) -1.06 -0.03 1.03 H2O Halite -1.20 0.38 1.59 NaCl - O2(g) -50.43 -53.44 -3.01 O2 + O2(g) -51.15 -54.16 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29585,7 +29212,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.648 Charge balance - pe = -0.081 Adjusted to redox equilibrium + pe = 9.607 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 232410 Density (g/cm³) = 1.07890 Volume (L) = 1.06085 @@ -29593,12 +29220,12 @@ Reaction 1. Activity of water = 0.916 Ionic strength (mol/kgw) = 2.473e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.087e-16 + Total alkalinity (eq/kg) = -2.472e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 5.104e-09 + Electrical balance (eq) = 1.167e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 33 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29613,22 +29240,21 @@ Reaction 1. Cl 2.473e+00 Cl- 2.473e+00 1.405e+00 0.393 0.148 -0.246 19.77 HCl 8.522e-09 9.621e-08 -8.069 -7.017 1.053 (0) -H(0) 4.893e-17 - H2 2.446e-17 4.324e-17 -16.611 -16.364 0.247 28.59 +H(0) 2.054e-36 + H2 1.027e-36 1.815e-36 -35.988 -35.741 0.247 28.59 Na 2.473e+00 Na+ 2.473e+00 2.138e+00 0.393 0.330 -0.063 0.82 - NaOH 1.987e-17 3.511e-17 -16.702 -16.455 0.247 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.927 -53.679 0.247 31.67 +O(0) 1.344e-15 + O2 6.719e-16 1.187e-15 -15.173 -14.925 0.247 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.23 -16.36 -3.13 H2 + H2(g) -32.61 -35.74 -3.13 H2 H2O(g) -1.06 -0.04 1.03 H2O Halite -1.11 0.48 1.59 NaCl - O2(g) -50.67 -53.68 -3.01 O2 + O2(g) -11.92 -14.93 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29664,7 +29290,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.648 Charge balance - pe = -0.434 Adjusted to redox equilibrium + pe = -0.462 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 234023 Density (g/cm³) = 1.07977 Volume (L) = 1.06143 @@ -29672,12 +29298,12 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.433e-16 + Total alkalinity (eq/kg) = 7.519e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 1.032e-09 + Electrical balance (eq) = 4.502e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29692,22 +29318,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.420e+00 0.398 0.152 -0.246 19.77 HCl 8.392e-09 9.724e-08 -8.076 -7.012 1.064 (0) -H(0) 2.468e-16 - H2 1.234e-16 2.194e-16 -15.909 -15.659 0.250 28.59 +H(0) 2.815e-16 + H2 1.407e-16 2.503e-16 -15.852 -15.602 0.250 28.59 Na 2.500e+00 Na+ 2.500e+00 2.170e+00 0.398 0.336 -0.061 0.83 - NaOH 2.002e-17 3.559e-17 -16.699 -16.449 0.250 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.341 -55.091 0.250 31.67 + O2 0.000e+00 0.000e+00 -55.455 -55.205 0.250 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.53 -15.66 -3.13 H2 + H2(g) -12.47 -15.60 -3.13 H2 H2O(g) -1.06 -0.04 1.03 H2O Halite -1.10 0.49 1.59 NaCl - O2(g) -52.08 -55.09 -3.01 O2 + O2(g) -52.20 -55.21 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29743,7 +29368,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.648 Charge balance - pe = -0.434 Adjusted to redox equilibrium + pe = -0.462 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 234023 Density (g/cm³) = 1.07977 Volume (L) = 1.06143 @@ -29751,12 +29376,12 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.433e-16 + Total alkalinity (eq/kg) = 7.519e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 1.032e-09 + Electrical balance (eq) = 4.502e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29771,22 +29396,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.420e+00 0.398 0.152 -0.246 19.77 HCl 8.392e-09 9.724e-08 -8.076 -7.012 1.064 (0) -H(0) 2.468e-16 - H2 1.234e-16 2.194e-16 -15.909 -15.659 0.250 28.59 +H(0) 2.815e-16 + H2 1.407e-16 2.503e-16 -15.852 -15.602 0.250 28.59 Na 2.500e+00 Na+ 2.500e+00 2.170e+00 0.398 0.336 -0.061 0.83 - NaOH 2.002e-17 3.559e-17 -16.699 -16.449 0.250 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.341 -55.091 0.250 31.67 + O2 0.000e+00 0.000e+00 -55.455 -55.205 0.250 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.53 -15.66 -3.13 H2 + H2(g) -12.47 -15.60 -3.13 H2 H2O(g) -1.06 -0.04 1.03 H2O Halite -1.10 0.49 1.59 NaCl - O2(g) -52.08 -55.09 -3.01 O2 + O2(g) -52.20 -55.21 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29822,7 +29446,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.648 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = 9.255 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 236017 Density (g/cm³) = 1.08086 Volume (L) = 1.06216 @@ -29830,12 +29454,12 @@ Reaction 1. Activity of water = 0.914 Ionic strength (mol/kgw) = 2.533e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.389e-17 + Total alkalinity (eq/kg) = -3.300e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 2.623e-10 + Electrical balance (eq) = 6.865e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 36 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29850,22 +29474,21 @@ Reaction 1. Cl 2.533e+00 Cl- 2.533e+00 1.439e+00 0.404 0.158 -0.246 19.78 HCl 8.231e-09 9.854e-08 -8.085 -7.006 1.078 (0) -H(0) 5.763e-17 - H2 2.881e-17 5.163e-17 -16.540 -16.287 0.253 28.59 +H(0) 1.028e-35 + H2 5.142e-36 9.214e-36 -35.289 -35.036 0.253 28.59 Na 2.533e+00 Na+ 2.533e+00 2.210e+00 0.404 0.344 -0.059 0.84 - NaOH 2.020e-17 3.619e-17 -16.695 -16.441 0.253 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.089 -53.835 0.253 31.67 +O(0) 5.121e-17 + O2 2.560e-17 4.588e-17 -16.592 -16.338 0.253 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.15 -16.29 -3.13 H2 + H2(g) -31.90 -35.04 -3.13 H2 H2O(g) -1.06 -0.04 1.03 H2O Halite -1.08 0.50 1.59 NaCl - O2(g) -50.83 -53.84 -3.01 O2 + O2(g) -13.33 -16.34 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29901,7 +29524,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = -0.035 Adjusted to redox equilibrium + pe = -0.265 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 243303 Density (g/cm³) = 1.08494 Volume (L) = 1.06491 @@ -29909,12 +29532,12 @@ Reaction 1. Activity of water = 0.910 Ionic strength (mol/kgw) = 2.658e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.921e-17 + Total alkalinity (eq/kg) = -2.992e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 2.232e-10 + Electrical balance (eq) = 5.733e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29929,22 +29552,21 @@ Reaction 1. Cl 2.658e+00 Cl- 2.658e+00 1.509e+00 0.425 0.179 -0.246 19.81 HCl 7.643e-09 1.034e-07 -8.117 -6.985 1.131 (0) -H(0) 3.799e-17 - H2 1.899e-17 3.503e-17 -16.721 -16.456 0.266 28.59 +H(0) 1.097e-16 + H2 5.487e-17 1.012e-16 -16.261 -15.995 0.266 28.59 Na 2.658e+00 Na+ 2.658e+00 2.363e+00 0.425 0.374 -0.051 0.87 - NaOH 2.087e-17 3.850e-17 -16.680 -16.415 0.266 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.768 -53.502 0.266 31.67 + O2 0.000e+00 0.000e+00 -54.690 -54.424 0.266 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.32 -16.46 -3.13 H2 + H2(g) -12.86 -15.99 -3.13 H2 H2O(g) -1.07 -0.04 1.03 H2O Halite -1.03 0.55 1.59 NaCl - O2(g) -50.49 -53.50 -3.01 O2 + O2(g) -51.42 -54.42 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29980,7 +29602,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = 9.477 Adjusted to redox equilibrium + pe = -0.656 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 249132 Density (g/cm³) = 1.08831 Volume (L) = 1.06720 @@ -29988,12 +29610,12 @@ Reaction 1. Activity of water = 0.906 Ionic strength (mol/kgw) = 2.762e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.012e-17 + Total alkalinity (eq/kg) = 1.236e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.09 - Electrical balance (eq) = 2.212e-08 + Electrical balance (eq) = 1.186e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 43 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30008,22 +29630,21 @@ Reaction 1. Cl 2.762e+00 Cl- 2.762e+00 1.568e+00 0.441 0.195 -0.246 19.84 HCl 7.173e-09 1.075e-07 -8.144 -6.969 1.176 (0) -H(0) 3.506e-36 - H2 1.753e-36 3.312e-36 -35.756 -35.480 0.276 28.59 +H(0) 6.467e-16 + H2 3.234e-16 6.109e-16 -15.490 -15.214 0.276 28.59 Na 2.762e+00 Na+ 2.762e+00 2.495e+00 0.441 0.397 -0.044 0.90 - NaOH 2.142e-17 4.047e-17 -16.669 -16.393 0.276 (0) -O(0) 3.696e-16 - O2 1.848e-16 3.491e-16 -15.733 -15.457 0.276 31.67 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -56.265 -55.989 0.276 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -32.35 -35.48 -3.13 H2 + H2(g) -12.08 -15.21 -3.13 H2 H2O(g) -1.07 -0.04 1.03 H2O Halite -0.99 0.59 1.59 NaCl - O2(g) -12.45 -15.46 -3.01 O2 + O2(g) -52.98 -55.99 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30059,7 +29680,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = -0.289 Adjusted to redox equilibrium + pe = -0.503 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 259175 Density (g/cm³) = 1.09438 Volume (L) = 1.07138 @@ -30067,12 +29688,12 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.951e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.808e-17 + Total alkalinity (eq/kg) = -1.034e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 2.289e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Electrical balance (eq) = -1.947e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30087,22 +29708,21 @@ Reaction 1. Cl 2.951e+00 Cl- 2.951e+00 1.675e+00 0.470 0.224 -0.246 19.88 HCl 6.373e-09 1.149e-07 -8.196 -6.940 1.256 (0) -H(0) 1.147e-16 - H2 5.734e-17 1.131e-16 -16.242 -15.946 0.295 28.59 +H(0) 3.078e-16 + H2 1.539e-16 3.036e-16 -15.813 -15.518 0.295 28.59 Na 2.951e+00 Na+ 2.951e+00 2.746e+00 0.470 0.439 -0.031 0.94 - NaOH 2.239e-17 4.418e-17 -16.650 -16.355 0.295 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.826 -54.530 0.295 31.67 + O2 0.000e+00 0.000e+00 -55.683 -55.388 0.295 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.81 -15.95 -3.13 H2 + H2(g) -12.38 -15.52 -3.13 H2 H2O(g) -1.07 -0.05 1.03 H2O Halite -0.92 0.66 1.59 NaCl - O2(g) -51.52 -54.53 -3.01 O2 + O2(g) -52.38 -55.39 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30138,7 +29758,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = 0.740 Adjusted to redox equilibrium + pe = 1.188 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 260815 Density (g/cm³) = 1.09540 Volume (L) = 1.07209 @@ -30146,12 +29766,12 @@ Reaction 1. Activity of water = 0.899 Ionic strength (mol/kgw) = 2.984e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.684e-16 + Total alkalinity (eq/kg) = -2.603e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 2.094e-15 + Electrical balance (eq) = 2.279e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30166,22 +29786,21 @@ Reaction 1. Cl 2.984e+00 Cl- 2.984e+00 1.693e+00 0.475 0.229 -0.246 19.89 HCl 6.243e-09 1.162e-07 -8.205 -6.935 1.270 (0) -H(0) 9.935e-19 - H2 4.968e-19 9.874e-19 -18.304 -18.006 0.298 28.59 +H(0) 1.265e-19 + H2 6.323e-20 1.257e-19 -19.199 -18.901 0.298 28.59 Na 2.984e+00 Na+ 2.984e+00 2.790e+00 0.475 0.446 -0.029 0.95 - NaOH 2.255e-17 4.483e-17 -16.647 -16.348 0.298 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.712 -50.413 0.298 31.67 + O2 0.000e+00 0.000e+00 -48.921 -48.623 0.298 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -14.87 -18.01 -3.13 H2 + H2(g) -15.77 -18.90 -3.13 H2 H2O(g) -1.07 -0.05 1.03 H2O Halite -0.91 0.67 1.59 NaCl - O2(g) -47.40 -50.41 -3.01 O2 + O2(g) -45.61 -48.62 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30217,7 +29836,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = 0.681 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 261647 Density (g/cm³) = 1.09592 Volume (L) = 1.07246 @@ -30225,12 +29844,12 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.233e-16 + Total alkalinity (eq/kg) = -2.123e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 1.566e-13 + Electrical balance (eq) = 4.780e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30245,22 +29864,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.702e+00 0.477 0.231 -0.246 19.89 HCl 6.178e-09 1.169e-07 -8.209 -6.932 1.277 (0) -H(0) 1.182e-16 - H2 5.912e-17 1.180e-16 -16.228 -15.928 0.300 28.59 +H(0) 1.301e-18 + H2 6.505e-19 1.298e-18 -18.187 -17.887 0.300 28.59 Na 3.000e+00 Na+ 3.000e+00 2.812e+00 0.477 0.449 -0.028 0.95 - NaOH 2.264e-17 4.516e-17 -16.645 -16.345 0.300 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.868 -54.568 0.300 31.67 + O2 0.000e+00 0.000e+00 -50.951 -50.651 0.300 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.80 -15.93 -3.13 H2 + H2(g) -14.75 -17.89 -3.13 H2 H2O(g) -1.07 -0.05 1.03 H2O Halite -0.90 0.68 1.59 NaCl - O2(g) -51.56 -54.57 -3.01 O2 + O2(g) -47.64 -50.65 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30296,7 +29914,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = 0.681 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 261647 Density (g/cm³) = 1.09592 Volume (L) = 1.07246 @@ -30304,12 +29922,12 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.233e-16 + Total alkalinity (eq/kg) = -2.123e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 1.566e-13 + Electrical balance (eq) = 4.780e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30324,22 +29942,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.702e+00 0.477 0.231 -0.246 19.89 HCl 6.178e-09 1.169e-07 -8.209 -6.932 1.277 (0) -H(0) 1.182e-16 - H2 5.912e-17 1.180e-16 -16.228 -15.928 0.300 28.59 +H(0) 1.301e-18 + H2 6.505e-19 1.298e-18 -18.187 -17.887 0.300 28.59 Na 3.000e+00 Na+ 3.000e+00 2.812e+00 0.477 0.449 -0.028 0.95 - NaOH 2.264e-17 4.516e-17 -16.645 -16.345 0.300 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.868 -54.568 0.300 31.67 + O2 0.000e+00 0.000e+00 -50.951 -50.651 0.300 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.80 -15.93 -3.13 H2 + H2(g) -14.75 -17.89 -3.13 H2 H2O(g) -1.07 -0.05 1.03 H2O Halite -0.90 0.68 1.59 NaCl - O2(g) -51.56 -54.57 -3.01 O2 + O2(g) -47.64 -50.65 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30375,7 +29992,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = -0.637 Adjusted to redox equilibrium + pe = -0.328 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 265986 Density (g/cm³) = 1.09869 Volume (L) = 1.07440 @@ -30383,12 +30000,12 @@ Reaction 1. Activity of water = 0.895 Ionic strength (mol/kgw) = 3.087e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.727e-16 + Total alkalinity (eq/kg) = 9.514e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 2.567e-14 + Electrical balance (eq) = 1.590e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30403,22 +30020,21 @@ Reaction 1. Cl 3.087e+00 Cl- 3.087e+00 1.752e+00 0.490 0.244 -0.246 19.91 HCl 5.838e-09 1.203e-07 -8.234 -6.920 1.314 (0) -H(0) 5.529e-16 - H2 2.765e-16 5.628e-16 -15.558 -15.250 0.309 28.59 +H(0) 1.331e-16 + H2 6.655e-17 1.355e-16 -16.177 -15.868 0.309 28.59 Na 3.087e+00 Na+ 3.087e+00 2.934e+00 0.490 0.468 -0.022 0.97 - NaOH 2.307e-17 4.696e-17 -16.637 -16.328 0.309 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.237 -55.928 0.309 31.67 + O2 0.000e+00 0.000e+00 -55.000 -54.691 0.309 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.12 -15.25 -3.13 H2 + H2(g) -12.74 -15.87 -3.13 H2 H2O(g) -1.07 -0.05 1.03 H2O Halite -0.87 0.71 1.59 NaCl - O2(g) -52.92 -55.93 -3.01 O2 + O2(g) -51.68 -54.69 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30454,7 +30070,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = -0.422 Adjusted to redox equilibrium + pe = 9.308 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 274304 Density (g/cm³) = 1.10423 Volume (L) = 1.07832 @@ -30462,12 +30078,12 @@ Reaction 1. Activity of water = 0.889 Ionic strength (mol/kgw) = 3.263e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.856e-17 + Total alkalinity (eq/kg) = -1.283e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 3.394e-15 + Electrical balance (eq) = 1.727e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 24 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30482,22 +30098,21 @@ Reaction 1. Cl 3.263e+00 Cl- 3.263e+00 1.854e+00 0.514 0.268 -0.246 19.95 HCl 5.198e-09 1.273e-07 -8.284 -6.895 1.389 (0) -H(0) 1.973e-16 - H2 9.864e-17 2.091e-16 -16.006 -15.680 0.326 28.59 +H(0) 6.828e-36 + H2 3.414e-36 7.238e-36 -35.467 -35.140 0.326 28.59 Na 3.263e+00 Na+ 3.263e+00 3.190e+00 0.514 0.504 -0.010 1.01 - NaOH 2.392e-17 5.071e-17 -16.621 -16.295 0.326 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.401 -55.074 0.326 31.67 +O(0) 6.638e-17 + O2 3.319e-17 7.036e-17 -16.479 -16.153 0.326 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.55 -15.68 -3.13 H2 + H2(g) -32.01 -35.14 -3.13 H2 H2O(g) -1.08 -0.05 1.03 H2O Halite -0.81 0.77 1.59 NaCl - O2(g) -52.07 -55.07 -3.01 O2 + O2(g) -13.14 -16.15 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30533,7 +30148,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = -0.236 Adjusted to redox equilibrium + pe = 9.611 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 284113 Density (g/cm³) = 1.11119 Volume (L) = 1.08334 @@ -30541,12 +30156,12 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.634e-16 + Total alkalinity (eq/kg) = -2.623e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 1.046e-11 + Electrical balance (eq) = 2.166e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 28 + Iterations = 42 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30561,22 +30176,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 1.984e+00 0.542 0.298 -0.245 19.99 HCl 4.467e-09 1.362e-07 -8.350 -6.866 1.484 (0) -H(0) 7.939e-17 - H2 3.969e-17 8.860e-17 -16.401 -16.053 0.349 28.59 +H(0) 1.610e-36 + H2 8.048e-37 1.796e-36 -36.094 -35.746 0.349 28.59 Na 3.487e+00 Na+ 3.487e+00 3.534e+00 0.542 0.548 0.006 1.06 - NaOH 2.496e-17 5.571e-17 -16.603 -16.254 0.349 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.684 -54.336 0.349 31.67 +O(0) 1.006e-15 + O2 5.031e-16 1.123e-15 -15.298 -14.950 0.349 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.92 -16.05 -3.13 H2 + H2(g) -32.61 -35.75 -3.13 H2 H2O(g) -1.08 -0.05 1.03 H2O Halite -0.74 0.85 1.59 NaCl - O2(g) -51.33 -54.34 -3.01 O2 + O2(g) -11.94 -14.95 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30612,7 +30226,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = 9.548 Adjusted to redox equilibrium + pe = 9.617 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 296121 Density (g/cm³) = 1.12049 Volume (L) = 1.09020 @@ -30620,12 +30234,12 @@ Reaction 1. Activity of water = 0.871 Ionic strength (mol/kgw) = 3.791e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.761e-17 + Total alkalinity (eq/kg) = -8.811e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 8.760e-10 + Electrical balance (eq) = 2.730e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 42 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30640,22 +30254,21 @@ Reaction 1. Cl 3.791e+00 Cl- 3.791e+00 2.163e+00 0.579 0.335 -0.244 20.05 HCl 3.612e-09 1.483e-07 -8.442 -6.829 1.613 (0) -H(0) 1.995e-36 - H2 9.976e-37 2.388e-36 -36.001 -35.622 0.379 28.59 +H(0) 1.456e-36 + H2 7.280e-37 1.743e-36 -36.138 -35.759 0.379 28.59 Na 3.791e+00 Na+ 3.791e+00 4.038e+00 0.579 0.606 0.027 1.12 - NaOH 2.631e-17 6.297e-17 -16.580 -16.201 0.379 (0) -O(0) 5.184e-16 - O2 2.592e-16 6.205e-16 -15.586 -15.207 0.379 31.67 +O(0) 9.735e-16 + O2 4.867e-16 1.165e-15 -15.313 -14.934 0.379 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -32.49 -35.62 -3.13 H2 + H2(g) -32.63 -35.76 -3.13 H2 H2O(g) -1.08 -0.06 1.03 H2O Halite -0.64 0.94 1.59 NaCl - O2(g) -12.20 -15.21 -3.01 O2 + O2(g) -11.92 -14.93 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30691,7 +30304,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.647 Charge balance - pe = 9.084 Adjusted to redox equilibrium + pe = 9.534 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 301645 Density (g/cm³) = 1.12513 Volume (L) = 1.09369 @@ -30699,12 +30312,12 @@ Reaction 1. Activity of water = 0.866 Ionic strength (mol/kgw) = 3.945e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.105e-16 + Total alkalinity (eq/kg) = 3.658e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 2.162e-09 + Electrical balance (eq) = 9.617e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 24 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30719,22 +30332,21 @@ Reaction 1. Cl 3.945e+00 Cl- 3.945e+00 2.255e+00 0.596 0.353 -0.243 20.08 HCl 3.237e-09 1.545e-07 -8.490 -6.811 1.679 (0) -H(0) 1.630e-35 - H2 8.149e-36 2.021e-35 -35.089 -34.694 0.394 28.59 +H(0) 2.052e-36 + H2 1.026e-36 2.545e-36 -35.989 -35.594 0.394 28.59 Na 3.945e+00 Na+ 3.945e+00 4.310e+00 0.596 0.635 0.038 1.16 - NaOH 2.696e-17 6.686e-17 -16.569 -16.175 0.394 (0) -O(0) 6.904e-18 - O2 3.452e-18 8.561e-18 -17.462 -17.067 0.394 31.67 +O(0) 4.354e-16 + O2 2.177e-16 5.399e-16 -15.662 -15.268 0.394 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -31.56 -34.69 -3.13 H2 + H2(g) -32.46 -35.59 -3.13 H2 H2O(g) -1.09 -0.06 1.03 H2O Halite -0.60 0.99 1.59 NaCl - O2(g) -14.06 -17.07 -3.01 O2 + O2(g) -12.26 -15.27 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30770,7 +30382,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.648 Charge balance - pe = -0.760 Adjusted to redox equilibrium + pe = 9.652 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 303548 Density (g/cm³) = 1.12678 Volume (L) = 1.09495 @@ -30778,12 +30390,12 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.397e-16 + Total alkalinity (eq/kg) = -5.007e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 1.609e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 59 + Electrical balance (eq) = -3.766e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30798,22 +30410,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.288e+00 0.602 0.360 -0.243 20.09 HCl 3.110e-09 1.568e-07 -8.507 -6.805 1.702 (0) -H(0) 7.838e-16 - H2 3.919e-16 9.844e-16 -15.407 -15.007 0.400 28.59 +H(0) 1.176e-36 + H2 5.881e-37 1.477e-36 -36.231 -35.831 0.400 28.59 Na 4.000e+00 Na+ 4.000e+00 4.411e+00 0.602 0.645 0.042 1.17 - NaOH 2.719e-17 6.830e-17 -16.566 -16.166 0.400 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.845 -56.445 0.400 31.67 +O(0) 1.270e-15 + O2 6.351e-16 1.595e-15 -15.197 -14.797 0.400 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.87 -15.01 -3.13 H2 + H2(g) -32.70 -35.83 -3.13 H2 H2O(g) -1.09 -0.06 1.03 H2O Halite -0.58 1.00 1.59 NaCl - O2(g) -53.44 -56.44 -3.01 O2 + O2(g) -11.79 -14.80 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30849,7 +30460,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.648 Charge balance - pe = -0.760 Adjusted to redox equilibrium + pe = 9.652 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 303548 Density (g/cm³) = 1.12678 Volume (L) = 1.09495 @@ -30857,12 +30468,12 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.397e-16 + Total alkalinity (eq/kg) = -5.007e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 1.609e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 59 + Electrical balance (eq) = -3.766e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30877,22 +30488,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.288e+00 0.602 0.360 -0.243 20.09 HCl 3.110e-09 1.568e-07 -8.507 -6.805 1.702 (0) -H(0) 7.838e-16 - H2 3.919e-16 9.844e-16 -15.407 -15.007 0.400 28.59 +H(0) 1.176e-36 + H2 5.881e-37 1.477e-36 -36.231 -35.831 0.400 28.59 Na 4.000e+00 Na+ 4.000e+00 4.411e+00 0.602 0.645 0.042 1.17 - NaOH 2.719e-17 6.830e-17 -16.566 -16.166 0.400 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.845 -56.445 0.400 31.67 +O(0) 1.270e-15 + O2 6.351e-16 1.595e-15 -15.197 -14.797 0.400 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.87 -15.01 -3.13 H2 + H2(g) -32.70 -35.83 -3.13 H2 H2O(g) -1.09 -0.06 1.03 H2O Halite -0.58 1.00 1.59 NaCl - O2(g) -53.44 -56.44 -3.01 O2 + O2(g) -11.79 -14.80 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30928,7 +30538,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.648 Charge balance - pe = -0.197 Adjusted to redox equilibrium + pe = 9.451 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 309942 Density (g/cm³) = 1.13262 Volume (L) = 1.09942 @@ -30936,12 +30546,12 @@ Reaction 1. Activity of water = 0.857 Ionic strength (mol/kgw) = 4.196e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.890e-17 + Total alkalinity (eq/kg) = -2.795e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 5.416e-09 + Electrical balance (eq) = 5.970e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 16 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30956,22 +30566,21 @@ Reaction 1. Cl 4.196e+00 Cl- 4.196e+00 2.407e+00 0.623 0.381 -0.241 20.12 HCl 2.696e-09 1.647e-07 -8.569 -6.783 1.786 (0) -H(0) 5.600e-17 - H2 2.800e-17 7.358e-17 -16.553 -16.133 0.420 28.59 +H(0) 2.827e-36 + H2 1.414e-36 3.715e-36 -35.850 -35.430 0.420 28.59 Na 4.196e+00 Na+ 4.196e+00 4.782e+00 0.623 0.680 0.057 1.21 - NaOH 2.799e-17 7.355e-17 -16.553 -16.133 0.420 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.618 -54.199 0.420 31.67 +O(0) 1.890e-16 + O2 9.452e-17 2.484e-16 -16.024 -15.605 0.420 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.00 -16.13 -3.13 H2 + H2(g) -32.30 -35.43 -3.13 H2 H2O(g) -1.09 -0.07 1.03 H2O Halite -0.52 1.06 1.59 NaCl - O2(g) -51.19 -54.20 -3.01 O2 + O2(g) -12.60 -15.60 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31007,7 +30616,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.649 Charge balance - pe = -0.858 Adjusted to redox equilibrium + pe = -0.568 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 315750 Density (g/cm³) = 1.13834 Volume (L) = 1.10387 @@ -31015,12 +30624,12 @@ Reaction 1. Activity of water = 0.851 Ionic strength (mol/kgw) = 4.390e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.571e-16 + Total alkalinity (eq/kg) = 2.758e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 1.446e-10 + Electrical balance (eq) = 1.784e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 53 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31035,22 +30644,21 @@ Reaction 1. Cl 4.390e+00 Cl- 4.390e+00 2.526e+00 0.643 0.402 -0.240 20.15 HCl 2.336e-09 1.726e-07 -8.632 -6.763 1.869 (0) -H(0) 1.120e-15 - H2 5.601e-16 1.539e-15 -15.252 -14.813 0.439 28.59 +H(0) 2.946e-16 + H2 1.473e-16 4.048e-16 -15.832 -15.393 0.439 28.59 Na 4.390e+00 Na+ 4.390e+00 5.170e+00 0.643 0.713 0.071 1.24 - NaOH 2.875e-17 7.902e-17 -16.541 -16.102 0.439 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.285 -56.846 0.439 31.67 + O2 0.000e+00 0.000e+00 -56.125 -55.686 0.439 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.68 -14.81 -3.13 H2 + H2(g) -12.26 -15.39 -3.13 H2 H2O(g) -1.10 -0.07 1.03 H2O Halite -0.47 1.12 1.59 NaCl - O2(g) -53.84 -56.85 -3.01 O2 + O2(g) -52.68 -55.69 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31086,7 +30694,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.649 Charge balance - pe = 10.355 Adjusted to redox equilibrium + pe = 9.272 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 317357 Density (g/cm³) = 1.14001 Volume (L) = 1.10518 @@ -31094,12 +30702,12 @@ Reaction 1. Activity of water = 0.849 Ionic strength (mol/kgw) = 4.447e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.215e-16 + Total alkalinity (eq/kg) = 4.894e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 9.885e-09 + Electrical balance (eq) = 4.897e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31114,22 +30722,21 @@ Reaction 1. Cl 4.447e+00 Cl- 4.447e+00 2.561e+00 0.648 0.408 -0.240 20.16 HCl 2.239e-09 1.749e-07 -8.650 -6.757 1.893 (0) -H(0) 4.148e-38 - H2 2.074e-38 5.775e-38 -37.683 -37.238 0.445 28.59 +H(0) 6.084e-36 + H2 3.042e-36 8.470e-36 -35.517 -35.072 0.445 28.59 Na 4.447e+00 Na+ 4.447e+00 5.287e+00 0.648 0.723 0.075 1.25 - NaOH 2.897e-17 8.067e-17 -16.538 -16.093 0.445 (0) -O(0) 7.236e-13 - O2 3.618e-13 1.007e-12 -12.442 -11.997 0.445 31.67 +O(0) 3.364e-17 + O2 1.682e-17 4.683e-17 -16.774 -16.329 0.445 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -34.11 -37.24 -3.13 H2 + H2(g) -31.94 -35.07 -3.13 H2 H2O(g) -1.10 -0.07 1.03 H2O Halite -0.45 1.13 1.59 NaCl - O2(g) -8.99 -12.00 -3.01 O2 + O2(g) -13.32 -16.33 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31165,7 +30772,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.649 Charge balance - pe = 0.236 Adjusted to redox equilibrium + pe = 0.089 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 318807 Density (g/cm³) = 1.14154 Volume (L) = 1.10639 @@ -31173,12 +30780,12 @@ Reaction 1. Activity of water = 0.847 Ionic strength (mol/kgw) = 4.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.328e-16 + Total alkalinity (eq/kg) = -5.114e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 1.314e-09 + Electrical balance (eq) = 4.984e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31193,22 +30800,21 @@ Reaction 1. Cl 4.500e+00 Cl- 4.500e+00 2.594e+00 0.653 0.414 -0.239 20.17 HCl 2.152e-09 1.770e-07 -8.667 -6.752 1.915 (0) -H(0) 7.072e-18 - H2 3.536e-18 9.965e-18 -17.452 -17.002 0.450 28.59 +H(0) 1.394e-17 + H2 6.971e-18 1.965e-17 -17.157 -16.707 0.450 28.59 Na 4.500e+00 Na+ 4.500e+00 5.398e+00 0.653 0.732 0.079 1.26 - NaOH 2.917e-17 8.222e-17 -16.535 -16.085 0.450 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.922 -52.472 0.450 31.67 + O2 0.000e+00 0.000e+00 -53.512 -53.062 0.450 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -13.87 -17.00 -3.13 H2 + H2(g) -13.57 -16.71 -3.13 H2 H2O(g) -1.10 -0.07 1.03 H2O Halite -0.44 1.15 1.59 NaCl - O2(g) -49.46 -52.47 -3.01 O2 + O2(g) -50.05 -53.06 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31244,7 +30850,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance - pe = -0.913 Adjusted to redox equilibrium + pe = 8.998 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 329364 Density (g/cm³) = 1.15390 Volume (L) = 1.11633 @@ -31252,12 +30858,12 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.451e-17 + Total alkalinity (eq/kg) = 4.346e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 2.448e-13 + Electrical balance (eq) = 1.877e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31272,22 +30878,21 @@ Reaction 1. Cl 4.930e+00 Cl- 4.930e+00 2.863e+00 0.693 0.457 -0.236 20.24 HCl 1.552e-09 1.947e-07 -8.809 -6.711 2.098 (0) -H(0) 1.260e-15 - H2 6.302e-16 1.961e-15 -15.201 -14.708 0.493 28.59 +H(0) 1.906e-35 + H2 9.529e-36 2.965e-35 -35.021 -34.528 0.493 28.59 Na 4.930e+00 Na+ 4.930e+00 6.365e+00 0.693 0.804 0.111 1.34 - NaOH 3.074e-17 9.565e-17 -16.512 -16.019 0.493 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.569 -57.076 0.493 31.67 +O(0) 2.362e-18 + O2 1.181e-18 3.675e-18 -17.928 -17.435 0.493 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.57 -14.71 -3.13 H2 + H2(g) -31.40 -34.53 -3.13 H2 H2O(g) -1.10 -0.08 1.03 H2O Halite -0.32 1.26 1.59 NaCl - O2(g) -54.07 -57.08 -3.01 O2 + O2(g) -14.43 -17.43 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31323,7 +30928,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance - pe = -0.978 Adjusted to redox equilibrium + pe = 9.228 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 330869 Density (g/cm³) = 1.15587 Volume (L) = 1.11795 @@ -31331,12 +30936,12 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.101e-16 + Total alkalinity (eq/kg) = 2.219e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = -5.037e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 47 + Electrical balance (eq) = 1.416e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 39 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31351,22 +30956,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.908e+00 0.699 0.464 -0.235 20.25 HCl 1.471e-09 1.975e-07 -8.832 -6.704 2.128 (0) -H(0) 1.672e-15 - H2 8.360e-16 2.644e-15 -15.078 -14.578 0.500 28.59 +H(0) 6.494e-36 + H2 3.247e-36 1.027e-35 -35.489 -34.989 0.500 28.59 Na 5.000e+00 Na+ 5.000e+00 6.533e+00 0.699 0.815 0.116 1.36 - NaOH 3.098e-17 9.796e-17 -16.509 -16.009 0.500 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.838 -57.338 0.500 31.67 +O(0) 1.927e-17 + O2 9.636e-18 3.047e-17 -17.016 -16.516 0.500 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.44 -14.58 -3.13 H2 + H2(g) -31.86 -34.99 -3.13 H2 H2O(g) -1.11 -0.08 1.03 H2O Halite -0.31 1.28 1.59 NaCl - O2(g) -54.33 -57.34 -3.01 O2 + O2(g) -13.51 -16.52 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31402,7 +31006,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance - pe = -0.978 Adjusted to redox equilibrium + pe = 9.228 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 330869 Density (g/cm³) = 1.15587 Volume (L) = 1.11795 @@ -31410,12 +31014,12 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.101e-16 + Total alkalinity (eq/kg) = 2.219e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = -5.037e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 47 + Electrical balance (eq) = 1.416e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 39 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31430,22 +31034,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.908e+00 0.699 0.464 -0.235 20.25 HCl 1.471e-09 1.975e-07 -8.832 -6.704 2.128 (0) -H(0) 1.672e-15 - H2 8.360e-16 2.644e-15 -15.078 -14.578 0.500 28.59 +H(0) 6.494e-36 + H2 3.247e-36 1.027e-35 -35.489 -34.989 0.500 28.59 Na 5.000e+00 Na+ 5.000e+00 6.533e+00 0.699 0.815 0.116 1.36 - NaOH 3.098e-17 9.796e-17 -16.509 -16.009 0.500 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.838 -57.338 0.500 31.67 +O(0) 1.927e-17 + O2 9.636e-18 3.047e-17 -17.016 -16.516 0.500 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.44 -14.58 -3.13 H2 + H2(g) -31.86 -34.99 -3.13 H2 H2O(g) -1.11 -0.08 1.03 H2O Halite -0.31 1.28 1.59 NaCl - O2(g) -54.33 -57.34 -3.01 O2 + O2(g) -13.51 -16.52 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31481,7 +31084,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance - pe = 9.547 Adjusted to redox equilibrium + pe = 9.337 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 331417 Density (g/cm³) = 1.15661 Volume (L) = 1.11856 @@ -31489,12 +31092,12 @@ Reaction 1. Activity of water = 0.829 Ionic strength (mol/kgw) = 5.026e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.505e-16 + Total alkalinity (eq/kg) = 7.197e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 3.944e-08 + Electrical balance (eq) = 8.258e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 37 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31509,22 +31112,21 @@ Reaction 1. Cl 5.026e+00 Cl- 5.026e+00 2.924e+00 0.701 0.466 -0.235 20.25 HCl 1.442e-09 1.986e-07 -8.841 -6.702 2.139 (0) -H(0) 1.485e-36 - H2 7.425e-37 2.362e-36 -36.129 -35.627 0.503 28.59 +H(0) 3.893e-36 + H2 1.947e-36 6.193e-36 -35.711 -35.208 0.503 28.59 Na 5.026e+00 Na+ 5.026e+00 6.596e+00 0.701 0.819 0.118 1.36 - NaOH 3.107e-17 9.884e-17 -16.508 -16.005 0.503 (0) -O(0) 3.613e-16 - O2 1.806e-16 5.746e-16 -15.743 -15.241 0.503 31.67 +O(0) 5.255e-17 + O2 2.628e-17 8.359e-17 -16.580 -16.078 0.503 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -32.49 -35.63 -3.13 H2 + H2(g) -32.08 -35.21 -3.13 H2 H2O(g) -1.11 -0.08 1.03 H2O Halite -0.30 1.29 1.59 NaCl - O2(g) -12.23 -15.24 -3.01 O2 + O2(g) -13.07 -16.08 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31560,7 +31162,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.653 Charge balance - pe = 10.233 Adjusted to redox equilibrium + pe = -0.404 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 338246 Density (g/cm³) = 1.16666 Volume (L) = 1.12695 @@ -31568,12 +31170,12 @@ Reaction 1. Activity of water = 0.817 Ionic strength (mol/kgw) = 5.386e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.708e-16 + Total alkalinity (eq/kg) = -5.116e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 3.440e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 26 + Electrical balance (eq) = -3.563e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31588,22 +31190,21 @@ Reaction 1. Cl 5.386e+00 Cl- 5.386e+00 3.156e+00 0.731 0.499 -0.232 20.30 HCl 1.089e-09 2.135e-07 -8.963 -6.671 2.292 (0) -H(0) 5.744e-38 - H2 2.872e-38 9.925e-38 -37.542 -37.003 0.539 28.59 +H(0) 1.078e-16 + H2 5.392e-17 1.864e-16 -16.268 -15.730 0.539 28.59 Na 5.386e+00 Na+ 5.386e+00 7.522e+00 0.731 0.876 0.145 1.42 - NaOH 3.226e-17 1.115e-16 -16.491 -15.953 0.539 (0) -O(0) 1.828e-13 - O2 9.141e-14 3.159e-13 -13.039 -12.500 0.539 31.67 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -55.586 -55.048 0.539 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -33.87 -37.00 -3.13 H2 + H2(g) -12.60 -15.73 -3.13 H2 H2O(g) -1.11 -0.09 1.03 H2O Halite -0.21 1.38 1.59 NaCl - O2(g) -9.49 -12.50 -3.01 O2 + O2(g) -52.04 -55.05 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31639,7 +31240,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.654 Charge balance - pe = -0.834 Adjusted to redox equilibrium + pe = 9.829 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 342399 Density (g/cm³) = 1.17386 Volume (L) = 1.13311 @@ -31647,12 +31248,12 @@ Reaction 1. Activity of water = 0.808 Ionic strength (mol/kgw) = 5.648e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.419e-16 + Total alkalinity (eq/kg) = 3.888e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 6.563e-14 + Electrical balance (eq) = 9.694e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 61 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31667,22 +31268,21 @@ Reaction 1. Cl 5.648e+00 Cl- 5.648e+00 3.329e+00 0.752 0.522 -0.230 20.34 HCl 8.854e-10 2.245e-07 -9.053 -6.649 2.404 (0) -H(0) 7.302e-16 - H2 3.651e-16 1.340e-15 -15.438 -14.873 0.565 28.59 +H(0) 3.450e-37 + H2 1.725e-37 6.334e-37 -36.763 -36.198 0.565 28.59 Na 5.648e+00 Na+ 5.648e+00 8.257e+00 0.752 0.917 0.165 1.47 - NaOH 3.308e-17 1.215e-16 -16.480 -15.916 0.565 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.336 -56.771 0.565 31.67 +O(0) 4.134e-15 + O2 2.067e-15 7.589e-15 -14.685 -14.120 0.565 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.74 -14.87 -3.13 H2 + H2(g) -33.07 -36.20 -3.13 H2 H2O(g) -1.12 -0.09 1.03 H2O Halite -0.15 1.44 1.59 NaCl - O2(g) -53.76 -56.77 -3.01 O2 + O2(g) -11.11 -14.12 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31718,7 +31318,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.655 Charge balance - pe = 10.006 Adjusted to redox equilibrium + pe = 9.855 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 344502 Density (g/cm³) = 1.17797 Volume (L) = 1.13667 @@ -31726,12 +31326,12 @@ Reaction 1. Activity of water = 0.803 Ionic strength (mol/kgw) = 5.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.019e-16 + Total alkalinity (eq/kg) = 3.380e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 2.137e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 33 + Electrical balance (eq) = -3.542e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31746,22 +31346,21 @@ Reaction 1. Cl 5.800e+00 Cl- 5.800e+00 3.430e+00 0.763 0.535 -0.228 20.36 HCl 7.848e-10 2.308e-07 -9.105 -6.637 2.468 (0) -H(0) 1.473e-37 - H2 7.364e-38 2.800e-37 -37.133 -36.553 0.580 28.59 +H(0) 2.941e-37 + H2 1.470e-37 5.590e-37 -36.833 -36.253 0.580 28.59 Na 5.800e+00 Na+ 5.800e+00 8.706e+00 0.763 0.940 0.176 1.49 - NaOH 3.353e-17 1.275e-16 -16.475 -15.895 0.580 (0) -O(0) 2.017e-14 - O2 1.009e-14 3.835e-14 -13.996 -13.416 0.580 31.67 +O(0) 5.060e-15 + O2 2.530e-15 9.619e-15 -14.597 -14.017 0.580 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -33.42 -36.55 -3.13 H2 + H2(g) -33.12 -36.25 -3.13 H2 H2O(g) -1.12 -0.10 1.03 H2O Halite -0.11 1.48 1.59 NaCl - O2(g) -10.41 -13.42 -3.01 O2 + O2(g) -11.01 -14.02 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31797,7 +31396,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.656 Charge balance - pe = -0.782 Adjusted to redox equilibrium + pe = -0.577 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 346402 Density (g/cm³) = 1.18205 Volume (L) = 1.14025 @@ -31805,12 +31404,12 @@ Reaction 1. Activity of water = 0.798 Ionic strength (mol/kgw) = 5.952e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.898e-16 + Total alkalinity (eq/kg) = 2.053e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = 2.955e-10 + Electrical balance (eq) = 6.491e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31825,22 +31424,21 @@ Reaction 1. Cl 5.952e+00 Cl- 5.952e+00 3.532e+00 0.775 0.548 -0.227 20.38 HCl 6.950e-10 2.372e-07 -9.158 -6.625 2.533 (0) -H(0) 5.334e-16 - H2 2.667e-16 1.050e-15 -15.574 -14.979 0.595 28.59 +H(0) 2.074e-16 + H2 1.037e-16 4.083e-16 -15.984 -15.389 0.595 28.59 Na 5.952e+00 Na+ 5.952e+00 9.175e+00 0.775 0.963 0.188 1.52 - NaOH 3.398e-17 1.338e-16 -16.469 -15.874 0.595 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.165 -56.570 0.595 31.67 + O2 0.000e+00 0.000e+00 -56.345 -55.750 0.595 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.85 -14.98 -3.13 H2 + H2(g) -12.26 -15.39 -3.13 H2 H2O(g) -1.12 -0.10 1.03 H2O Halite -0.07 1.51 1.59 NaCl - O2(g) -53.56 -56.57 -3.01 O2 + O2(g) -52.74 -55.75 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31876,7 +31474,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.656 Charge balance - pe = -0.521 Adjusted to redox equilibrium + pe = -0.252 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 346964 Density (g/cm³) = 1.18334 Volume (L) = 1.14139 @@ -31884,12 +31482,12 @@ Reaction 1. Activity of water = 0.796 Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.524e-16 + Total alkalinity (eq/kg) = -5.520e-16 Temperature (°C) = 45.00 Pressure (atm) = 0.08 - Electrical balance (eq) = -6.970e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Electrical balance (eq) = 1.641e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31904,22 +31502,21 @@ Reaction 1. Cl 6.000e+00 Cl- 6.000e+00 3.564e+00 0.778 0.552 -0.226 20.38 HCl 6.686e-10 2.392e-07 -9.175 -6.621 2.554 (0) -H(0) 1.583e-16 - H2 7.913e-17 3.150e-16 -16.102 -15.502 0.600 28.59 +H(0) 4.583e-17 + H2 2.291e-17 9.122e-17 -16.640 -16.040 0.600 28.59 Na 6.000e+00 Na+ 6.000e+00 9.328e+00 0.778 0.970 0.192 1.53 - NaOH 3.411e-17 1.358e-16 -16.467 -15.867 0.600 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.126 -55.526 0.600 31.67 + O2 0.000e+00 0.000e+00 -55.050 -54.450 0.600 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -12.37 -15.50 -3.13 H2 + H2(g) -12.91 -16.04 -3.13 H2 H2O(g) -1.12 -0.10 1.03 H2O Halite -0.06 1.52 1.59 NaCl - O2(g) -52.52 -55.53 -3.01 O2 + O2(g) -51.44 -54.45 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -31955,7 +31552,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.657 Charge balance - pe = -0.877 Adjusted to redox equilibrium + pe = -1.175 Adjusted to redox equilibrium Specific Conductance (µS/cm, 45°C) = 348068 Density (g/cm³) = 1.18600 Volume (L) = 1.14376 @@ -31963,12 +31560,12 @@ Reaction 1. Activity of water = 0.793 Ionic strength (mol/kgw) = 6.100e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.557e-16 + Total alkalinity (eq/kg) = 4.385e-17 Temperature (°C) = 45.00 Pressure (atm) = 0.07 - Electrical balance (eq) = 1.876e-13 + Electrical balance (eq) = 1.053e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -31983,22 +31580,21 @@ Reaction 1. Cl 6.100e+00 Cl- 6.100e+00 3.632e+00 0.785 0.560 -0.225 20.40 HCl 6.168e-10 2.434e-07 -9.210 -6.614 2.596 (0) -H(0) 7.932e-16 - H2 3.966e-16 1.616e-15 -15.402 -14.792 0.610 28.59 +H(0) 3.129e-15 + H2 1.565e-15 6.374e-15 -14.806 -14.196 0.610 28.59 Na 6.100e+00 Na+ 6.100e+00 9.651e+00 0.785 0.985 0.199 1.54 - NaOH 3.439e-17 1.401e-16 -16.464 -15.854 0.610 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.560 -56.950 0.610 31.67 + O2 0.000e+00 0.000e+00 -58.752 -58.142 0.610 31.67 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(318 K, 0 atm) - H2(g) -11.66 -14.79 -3.13 H2 + H2(g) -11.06 -14.20 -3.13 H2 H2O(g) -1.13 -0.10 1.03 H2O Halite -0.04 1.54 1.59 NaCl - O2(g) -53.94 -56.95 -3.01 O2 + O2(g) -55.13 -58.14 -3.01 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32138,7 +31734,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.435 Charge balance - pe = 0.213 Adjusted to redox equilibrium + pe = 0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 19513 Density (g/cm³) = 0.98446 Volume (L) = 1.02172 @@ -32146,10 +31742,10 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.629e-17 + Total alkalinity (eq/kg) = 2.608e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.25 - Electrical balance (eq) = 2.148e-15 + Electrical balance (eq) = 2.166e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -32166,22 +31762,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.511e-02 -1.000 -1.124 -0.124 18.30 HCl 6.717e-09 7.409e-09 -8.173 -8.130 0.043 (0) -H(0) 4.910e-17 - H2 2.455e-17 2.512e-17 -16.610 -16.600 0.010 28.58 +H(0) 3.088e-17 + H2 1.544e-17 1.580e-17 -16.811 -16.801 0.010 28.58 Na 1.000e-01 Na+ 1.000e-01 7.698e-02 -1.000 -1.114 -0.114 0.19 - NaOH 2.567e-18 2.627e-18 -17.591 -17.581 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -47.811 -47.801 0.010 32.59 + O2 0.000e+00 0.000e+00 -47.408 -47.398 0.010 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.46 -16.60 -3.14 H2 + H2(g) -13.66 -16.80 -3.14 H2 H2O(g) -0.61 -0.00 0.61 H2O Halite -3.84 -2.24 1.60 NaCl - O2(g) -44.72 -47.80 -3.08 O2 + O2(g) -44.32 -47.40 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32217,7 +31812,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.428 Charge balance - pe = -0.033 Adjusted to redox equilibrium + pe = 0.332 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 39748 Density (g/cm³) = 0.98897 Volume (L) = 1.02396 @@ -32225,12 +31820,12 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.167e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.849e-17 + Total alkalinity (eq/kg) = 2.233e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.25 - Electrical balance (eq) = -1.958e-13 + Electrical balance (eq) = -1.684e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32245,22 +31840,21 @@ Reaction 1. Cl 2.167e-01 Cl- 2.167e-01 1.498e-01 -0.664 -0.824 -0.160 18.49 HCl 1.216e-08 1.504e-08 -7.915 -7.823 0.092 (0) -H(0) 1.542e-16 - H2 7.708e-17 8.102e-17 -16.113 -16.091 0.022 28.58 +H(0) 2.861e-17 + H2 1.430e-17 1.503e-17 -16.845 -16.823 0.022 28.58 Na 2.167e-01 Na+ 2.167e-01 1.573e-01 -0.664 -0.803 -0.139 0.34 - NaOH 4.998e-18 5.254e-18 -17.301 -17.280 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.843 -48.822 0.022 32.59 + O2 0.000e+00 0.000e+00 -47.380 -47.359 0.022 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.95 -16.09 -3.14 H2 + H2(g) -13.68 -16.82 -3.14 H2 H2O(g) -0.61 -0.00 0.61 H2O Halite -3.23 -1.63 1.60 NaCl - O2(g) -45.74 -48.82 -3.08 O2 + O2(g) -44.28 -47.36 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32296,7 +31890,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.426 Charge balance - pe = 0.280 Adjusted to redox equilibrium + pe = 0.575 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 46269 Density (g/cm³) = 0.99049 Volume (L) = 1.02472 @@ -32304,12 +31898,12 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.562e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.942e-16 + Total alkalinity (eq/kg) = -1.017e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -1.058e-09 + Electrical balance (eq) = -4.207e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32324,22 +31918,21 @@ Reaction 1. Cl 2.562e-01 Cl- 2.562e-01 1.738e-01 -0.591 -0.760 -0.168 18.54 HCl 1.363e-08 1.752e-08 -7.866 -7.756 0.109 (0) -H(0) 3.633e-17 - H2 1.817e-17 1.927e-17 -16.741 -16.715 0.026 28.58 +H(0) 9.363e-18 + H2 4.682e-18 4.966e-18 -17.330 -17.304 0.026 28.58 Na 2.562e-01 Na+ 2.562e-01 1.839e-01 -0.591 -0.736 -0.144 0.37 - NaOH 5.758e-18 6.108e-18 -17.240 -17.214 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -47.601 -47.575 0.026 32.59 + O2 0.000e+00 0.000e+00 -46.423 -46.398 0.026 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.58 -16.72 -3.14 H2 + H2(g) -14.17 -17.30 -3.14 H2 H2O(g) -0.61 -0.00 0.61 H2O Halite -3.09 -1.50 1.60 NaCl - O2(g) -44.50 -47.58 -3.08 O2 + O2(g) -43.32 -46.40 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32375,7 +31968,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.422 Charge balance - pe = 0.373 Adjusted to redox equilibrium + pe = 0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 61162 Density (g/cm³) = 0.99403 Volume (L) = 1.02655 @@ -32383,12 +31976,12 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.494e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.776e-17 + Total alkalinity (eq/kg) = 4.962e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -8.504e-13 + Electrical balance (eq) = -2.439e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32403,22 +31996,21 @@ Reaction 1. Cl 3.494e-01 Cl- 3.494e-01 2.288e-01 -0.457 -0.640 -0.184 18.64 HCl 1.651e-08 2.326e-08 -7.782 -7.633 0.149 (0) -H(0) 2.363e-17 - H2 1.181e-17 1.280e-17 -16.928 -16.893 0.035 28.58 +H(0) 5.890e-17 + H2 2.945e-17 3.192e-17 -16.531 -16.496 0.035 28.58 Na 3.494e-01 Na+ 3.494e-01 2.464e-01 -0.457 -0.608 -0.152 0.45 - NaOH 7.466e-18 8.091e-18 -17.127 -17.092 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -47.258 -47.223 0.035 32.59 + O2 0.000e+00 0.000e+00 -48.051 -48.016 0.035 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.75 -16.89 -3.14 H2 + H2(g) -13.36 -16.50 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.85 -1.25 1.60 NaCl - O2(g) -44.15 -47.22 -3.08 O2 + O2(g) -44.94 -48.02 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32454,7 +32046,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.418 Charge balance - pe = 7.999 Adjusted to redox equilibrium + pe = 0.068 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 86795 Density (g/cm³) = 1.00040 Volume (L) = 1.02992 @@ -32462,12 +32054,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.190e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.206e-16 + Total alkalinity (eq/kg) = -2.677e-18 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -1.986e-11 + Electrical balance (eq) = -1.813e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32482,22 +32074,21 @@ Reaction 1. Cl 5.190e-01 Cl- 5.190e-01 3.252e-01 -0.285 -0.488 -0.203 18.80 HCl 2.010e-08 3.342e-08 -7.697 -7.476 0.221 (0) -H(0) 1.300e-32 - H2 6.501e-33 7.326e-33 -32.187 -32.135 0.052 28.58 +H(0) 9.466e-17 + H2 4.733e-17 5.334e-17 -16.325 -16.273 0.052 28.58 Na 5.190e-01 Na+ 5.190e-01 3.610e-01 -0.285 -0.443 -0.158 0.56 - NaOH 1.034e-17 1.166e-17 -16.985 -16.933 0.052 (0) -O(0) 3.205e-17 - O2 1.603e-17 1.806e-17 -16.795 -16.743 0.052 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -48.519 -48.468 0.052 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -29.00 -32.14 -3.14 H2 + H2(g) -13.13 -16.27 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.53 -0.93 1.60 NaCl - O2(g) -13.67 -16.74 -3.08 O2 + O2(g) -45.39 -48.47 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32533,7 +32124,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.417 Charge balance - pe = 8.307 Adjusted to redox equilibrium + pe = 0.120 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 88040 Density (g/cm³) = 1.00072 Volume (L) = 1.03009 @@ -32541,12 +32132,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.275e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.160e-17 + Total alkalinity (eq/kg) = 7.254e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -6.137e-12 + Electrical balance (eq) = -9.406e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 56 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32561,22 +32152,21 @@ Reaction 1. Cl 5.275e-01 Cl- 5.275e-01 3.300e-01 -0.278 -0.482 -0.204 18.81 HCl 2.023e-08 3.393e-08 -7.694 -7.469 0.225 (0) -H(0) 3.140e-33 - H2 1.570e-33 1.773e-33 -32.804 -32.751 0.053 28.58 +H(0) 7.422e-17 + H2 3.711e-17 4.190e-17 -16.430 -16.378 0.053 28.58 Na 5.275e-01 Na+ 5.275e-01 3.668e-01 -0.278 -0.436 -0.158 0.56 - NaOH 1.048e-17 1.183e-17 -16.980 -16.927 0.053 (0) -O(0) 5.459e-16 - O2 2.729e-16 3.082e-16 -15.564 -15.511 0.053 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -48.311 -48.258 0.053 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -29.61 -32.75 -3.14 H2 + H2(g) -13.24 -16.38 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.52 -0.92 1.60 NaCl - O2(g) -12.43 -15.51 -3.08 O2 + O2(g) -45.18 -48.26 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32612,7 +32202,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.415 Charge balance - pe = 0.616 Adjusted to redox equilibrium + pe = 8.033 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 102123 Density (g/cm³) = 1.00436 Volume (L) = 1.03207 @@ -32620,12 +32210,12 @@ Reaction 1. Activity of water = 0.979 Ionic strength (mol/kgw) = 6.258e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.889e-19 + Total alkalinity (eq/kg) = 2.534e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -4.429e-11 + Electrical balance (eq) = -4.336e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 7 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32640,22 +32230,21 @@ Reaction 1. Cl 6.258e-01 Cl- 6.258e-01 3.843e-01 -0.204 -0.415 -0.212 18.88 HCl 2.151e-08 3.971e-08 -7.667 -7.401 0.266 (0) -H(0) 7.466e-18 - H2 3.733e-18 4.312e-18 -17.428 -17.365 0.063 28.58 +H(0) 1.096e-32 + H2 5.478e-33 6.328e-33 -32.261 -32.199 0.063 28.58 Na 6.258e-01 Na+ 6.258e-01 4.346e-01 -0.204 -0.362 -0.158 0.61 - NaOH 1.204e-17 1.390e-17 -16.919 -16.857 0.063 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.349 -46.286 0.063 32.59 +O(0) 4.161e-17 + O2 2.081e-17 2.403e-17 -16.682 -16.619 0.063 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -14.23 -17.37 -3.14 H2 + H2(g) -29.06 -32.20 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.38 -0.78 1.60 NaCl - O2(g) -43.21 -46.29 -3.08 O2 + O2(g) -13.54 -16.62 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32691,7 +32280,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.412 Charge balance - pe = 0.173 Adjusted to redox equilibrium + pe = 0.270 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 123131 Density (g/cm³) = 1.00998 Volume (L) = 1.03520 @@ -32699,12 +32288,12 @@ Reaction 1. Activity of water = 0.974 Ionic strength (mol/kgw) = 7.790e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.836e-17 + Total alkalinity (eq/kg) = 1.820e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -4.459e-09 + Electrical balance (eq) = -2.223e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32719,22 +32308,21 @@ Reaction 1. Cl 7.790e-01 Cl- 7.790e-01 4.677e-01 -0.108 -0.330 -0.222 18.98 HCl 2.268e-08 4.866e-08 -7.644 -7.313 0.332 (0) -H(0) 5.614e-17 - H2 2.807e-17 3.359e-17 -16.552 -16.474 0.078 28.58 +H(0) 3.591e-17 + H2 1.796e-17 2.148e-17 -16.746 -16.668 0.078 28.58 Na 7.790e-01 Na+ 7.790e-01 5.430e-01 -0.108 -0.265 -0.157 0.68 - NaOH 1.434e-17 1.716e-17 -16.843 -16.765 0.078 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.152 -48.074 0.078 32.59 + O2 0.000e+00 0.000e+00 -47.763 -47.686 0.078 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.34 -16.47 -3.14 H2 + H2(g) -13.53 -16.67 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.19 -0.60 1.60 NaCl - O2(g) -45.00 -48.07 -3.08 O2 + O2(g) -44.61 -47.69 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32770,7 +32358,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.411 Charge balance - pe = 0.057 Adjusted to redox equilibrium + pe = 0.400 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 135795 Density (g/cm³) = 1.01348 Volume (L) = 1.03717 @@ -32778,12 +32366,12 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 8.753e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.619e-17 + Total alkalinity (eq/kg) = -5.082e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -3.137e-10 + Electrical balance (eq) = -3.928e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32798,22 +32386,21 @@ Reaction 1. Cl 8.753e-01 Cl- 8.752e-01 5.195e-01 -0.058 -0.284 -0.227 19.04 HCl 2.301e-08 5.425e-08 -7.638 -7.266 0.373 (0) -H(0) 9.452e-17 - H2 4.726e-17 5.781e-17 -16.326 -16.238 0.088 28.58 +H(0) 1.948e-17 + H2 9.742e-18 1.192e-17 -17.011 -16.924 0.088 28.58 Na 8.753e-01 Na+ 8.753e-01 6.130e-01 -0.058 -0.213 -0.155 0.72 - NaOH 1.573e-17 1.924e-17 -16.803 -16.716 0.088 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.636 -48.548 0.088 32.59 + O2 0.000e+00 0.000e+00 -47.264 -47.177 0.088 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.10 -16.24 -3.14 H2 + H2(g) -13.79 -16.92 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.10 -0.50 1.60 NaCl - O2(g) -45.47 -48.55 -3.08 O2 + O2(g) -44.10 -47.18 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32849,7 +32436,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.409 Charge balance - pe = 0.154 Adjusted to redox equilibrium + pe = -0.074 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 151635 Density (g/cm³) = 1.01797 Volume (L) = 1.03976 @@ -32857,12 +32444,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.710e-18 + Total alkalinity (eq/kg) = -1.774e-18 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -3.229e-11 + Electrical balance (eq) = -2.092e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32877,22 +32464,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 5.863e-01 -0.000 -0.232 -0.232 19.11 HCl 2.307e-08 6.148e-08 -7.637 -7.211 0.426 (0) -H(0) 5.938e-17 - H2 2.969e-17 3.738e-17 -16.527 -16.427 0.100 28.58 +H(0) 1.691e-16 + H2 8.455e-17 1.064e-16 -16.073 -15.973 0.100 28.58 Na 1.000e+00 Na+ 1.000e+00 7.063e-01 0.000 -0.151 -0.151 0.77 - NaOH 1.746e-17 2.198e-17 -16.758 -16.658 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.273 -48.173 0.100 32.59 + O2 0.000e+00 0.000e+00 -49.182 -49.082 0.100 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.29 -16.43 -3.14 H2 + H2(g) -12.83 -15.97 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.98 -0.38 1.60 NaCl - O2(g) -45.10 -48.17 -3.08 O2 + O2(g) -46.00 -49.08 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -32928,7 +32514,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.407 Charge balance - pe = -0.013 Adjusted to redox equilibrium + pe = 2.024 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 164330 Density (g/cm³) = 1.02168 Volume (L) = 1.04192 @@ -32936,12 +32522,12 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.104e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.163e-16 + Total alkalinity (eq/kg) = -8.821e-18 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -2.755e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Electrical balance (eq) = 2.119e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -32956,22 +32542,21 @@ Reaction 1. Cl 1.104e+00 Cl- 1.104e+00 6.415e-01 0.043 -0.193 -0.236 19.17 HCl 2.288e-08 6.748e-08 -7.641 -7.171 0.470 (0) -H(0) 1.255e-16 - H2 6.273e-17 8.088e-17 -16.203 -16.092 0.110 28.58 +H(0) 1.059e-20 + H2 5.293e-21 6.825e-21 -20.276 -20.166 0.110 28.58 Na 1.104e+00 Na+ 1.104e+00 7.861e-01 0.043 -0.105 -0.147 0.80 - NaOH 1.884e-17 2.429e-17 -16.725 -16.614 0.110 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.957 -48.847 0.110 32.59 + O2 0.000e+00 0.000e+00 -40.810 -40.699 0.110 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.95 -16.09 -3.14 H2 + H2(g) -17.03 -20.17 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.90 -0.30 1.60 NaCl - O2(g) -45.77 -48.85 -3.08 O2 + O2(g) -37.62 -40.70 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33007,7 +32592,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.406 Charge balance - pe = 0.075 Adjusted to redox equilibrium + pe = -0.312 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 178718 Density (g/cm³) = 1.02599 Volume (L) = 1.04447 @@ -33015,12 +32600,12 @@ Reaction 1. Activity of water = 0.958 Ionic strength (mol/kgw) = 1.225e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.516e-17 + Total alkalinity (eq/kg) = 5.607e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -3.997e-15 + Electrical balance (eq) = -4.745e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33035,22 +32620,21 @@ Reaction 1. Cl 1.225e+00 Cl- 1.225e+00 7.061e-01 0.088 -0.151 -0.239 19.23 HCl 2.243e-08 7.453e-08 -7.649 -7.128 0.522 (0) -H(0) 8.223e-17 - H2 4.112e-17 5.452e-17 -16.386 -16.263 0.123 28.58 +H(0) 4.887e-16 + H2 2.444e-16 3.240e-16 -15.612 -15.489 0.123 28.58 Na 1.225e+00 Na+ 1.225e+00 8.827e-01 0.088 -0.054 -0.142 0.84 - NaOH 2.042e-17 2.707e-17 -16.690 -16.568 0.123 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.631 -48.508 0.123 32.59 + O2 0.000e+00 0.000e+00 -50.179 -50.056 0.123 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.13 -16.26 -3.14 H2 + H2(g) -12.35 -15.49 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.80 -0.21 1.60 NaCl - O2(g) -45.43 -48.51 -3.08 O2 + O2(g) -46.98 -50.06 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33086,7 +32670,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.403 Charge balance - pe = 0.182 Adjusted to redox equilibrium + pe = -0.358 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 215170 Density (g/cm³) = 1.03754 Volume (L) = 1.05149 @@ -33094,12 +32678,12 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.556e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.814e-12 + Total alkalinity (eq/kg) = 1.253e-11 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = -6.224e-10 + Electrical balance (eq) = -2.002e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 7 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33114,22 +32698,21 @@ Reaction 1. Cl 1.556e+00 Cl- 1.556e+00 8.815e-01 0.192 -0.055 -0.247 19.37 HCl 2.040e-08 9.376e-08 -7.690 -7.028 0.662 (0) -H(0) 4.727e-17 - H2 2.363e-17 3.382e-17 -16.626 -16.471 0.156 28.58 +H(0) 5.675e-16 + H2 2.837e-16 4.060e-16 -15.547 -15.391 0.156 28.58 Na 1.556e+00 Na+ 1.556e+00 1.162e+00 0.192 0.065 -0.127 0.94 - NaOH 2.443e-17 3.496e-17 -16.612 -16.456 0.156 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.259 -48.104 0.156 32.59 + O2 0.000e+00 0.000e+00 -50.418 -50.262 0.156 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.33 -16.47 -3.14 H2 + H2(g) -12.25 -15.39 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.59 0.01 1.60 NaCl - O2(g) -45.03 -48.10 -3.08 O2 + O2(g) -47.18 -50.26 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33165,7 +32748,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.402 Charge balance - pe = -0.446 Adjusted to redox equilibrium + pe = 7.922 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 220649 Density (g/cm³) = 1.03936 Volume (L) = 1.05262 @@ -33173,12 +32756,12 @@ Reaction 1. Activity of water = 0.945 Ionic strength (mol/kgw) = 1.609e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.431e-14 + Total alkalinity (eq/kg) = 1.231e-11 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = -6.194e-10 + Electrical balance (eq) = -1.464e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33192,23 +32775,22 @@ Reaction 1. H2O 5.551e+01 9.453e-01 1.744 -0.024 0.000 18.37 Cl 1.609e+00 Cl- 1.609e+00 9.095e-01 0.207 -0.041 -0.248 19.40 - HCl 2.001e-08 9.684e-08 -7.699 -7.014 0.685 (0) -H(0) 8.416e-16 - H2 4.208e-16 6.095e-16 -15.376 -15.215 0.161 28.58 + HCl 2.001e-08 9.683e-08 -7.699 -7.014 0.685 (0) +H(0) 1.548e-32 + H2 7.740e-33 1.121e-32 -32.111 -31.950 0.161 28.58 Na 1.609e+00 Na+ 1.609e+00 1.210e+00 0.207 0.083 -0.124 0.95 - NaOH 2.504e-17 3.628e-17 -16.601 -16.440 0.161 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.778 -50.617 0.161 32.59 +O(0) 9.861e-18 + O2 4.931e-18 7.142e-18 -17.307 -17.146 0.161 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.08 -15.21 -3.14 H2 + H2(g) -28.81 -31.95 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.56 0.04 1.60 NaCl - O2(g) -47.54 -50.62 -3.08 O2 + O2(g) -14.07 -17.15 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33244,7 +32826,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.399 Charge balance - pe = -0.309 Adjusted to redox equilibrium + pe = 0.048 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 258450 Density (g/cm³) = 1.05263 Volume (L) = 1.06105 @@ -33252,12 +32834,12 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.082e-16 + Total alkalinity (eq/kg) = 4.686e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 2.552e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.148e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33272,22 +32854,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.118e+00 0.301 0.048 -0.253 19.54 HCl 1.687e-08 1.197e-07 -7.773 -6.922 0.851 (0) -H(0) 4.147e-16 - H2 2.074e-16 3.286e-16 -15.683 -15.483 0.200 28.58 +H(0) 8.016e-17 + H2 4.008e-17 6.352e-17 -16.397 -16.197 0.200 28.58 Na 2.000e+00 Na+ 2.000e+00 1.582e+00 0.301 0.199 -0.102 1.04 - NaOH 2.932e-17 4.648e-17 -16.533 -16.333 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.293 -50.093 0.200 32.59 + O2 0.000e+00 0.000e+00 -48.865 -48.665 0.200 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.35 -15.48 -3.14 H2 + H2(g) -13.06 -16.20 -3.14 H2 H2O(g) -0.64 -0.03 0.61 H2O Halite -1.35 0.25 1.60 NaCl - O2(g) -47.01 -50.09 -3.08 O2 + O2(g) -45.59 -48.67 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33323,7 +32904,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.398 Charge balance - pe = 8.978 Adjusted to redox equilibrium + pe = -0.628 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 278794 Density (g/cm³) = 1.06037 Volume (L) = 1.06612 @@ -33331,12 +32912,12 @@ Reaction 1. Activity of water = 0.924 Ionic strength (mol/kgw) = 2.233e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.672e-18 + Total alkalinity (eq/kg) = 2.229e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 1.437e-12 + Electrical balance (eq) = 4.118e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 28 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33351,22 +32932,21 @@ Reaction 1. Cl 2.233e+00 Cl- 2.233e+00 1.242e+00 0.349 0.094 -0.255 19.62 HCl 1.497e-08 1.334e-07 -7.825 -6.875 0.950 (0) -H(0) 1.051e-34 - H2 5.257e-35 8.790e-35 -34.279 -34.056 0.223 28.58 +H(0) 1.719e-15 + H2 8.594e-16 1.437e-15 -15.066 -14.843 0.223 28.58 Na 2.233e+00 Na+ 2.233e+00 1.824e+00 0.349 0.261 -0.088 1.10 - NaOH 3.170e-17 5.300e-17 -16.499 -16.276 0.223 (0) -O(0) 1.328e-13 - O2 6.640e-14 1.110e-13 -13.178 -12.955 0.223 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -51.605 -51.381 0.223 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -30.92 -34.06 -3.14 H2 + H2(g) -11.70 -14.84 -3.14 H2 H2O(g) -0.64 -0.03 0.61 H2O Halite -1.24 0.36 1.60 NaCl - O2(g) -9.88 -12.95 -3.08 O2 + O2(g) -48.30 -51.38 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33402,7 +32982,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.397 Charge balance - pe = 0.591 Adjusted to redox equilibrium + pe = -0.247 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 300351 Density (g/cm³) = 1.06913 Volume (L) = 1.07200 @@ -33410,12 +32990,12 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.362e-16 + Total alkalinity (eq/kg) = -3.665e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 2.291e-10 + Electrical balance (eq) = 6.737e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 43 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33430,22 +33010,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.387e+00 0.398 0.142 -0.256 19.70 HCl 1.289e-08 1.493e-07 -7.890 -6.826 1.064 (0) -H(0) 5.925e-18 - H2 2.963e-18 5.268e-18 -17.528 -17.278 0.250 28.58 +H(0) 2.803e-16 + H2 1.401e-16 2.492e-16 -15.853 -15.603 0.250 28.58 Na 2.500e+00 Na+ 2.500e+00 2.124e+00 0.398 0.327 -0.071 1.15 - NaOH 3.429e-17 6.097e-17 -16.465 -16.215 0.250 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.769 -46.519 0.250 32.59 + O2 0.000e+00 0.000e+00 -50.118 -49.868 0.250 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -14.14 -17.28 -3.14 H2 + H2(g) -12.47 -15.60 -3.14 H2 H2O(g) -0.65 -0.04 0.61 H2O Halite -1.13 0.47 1.60 NaCl - O2(g) -43.44 -46.52 -3.08 O2 + O2(g) -46.79 -49.87 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33481,7 +33060,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.397 Charge balance - pe = -0.420 Adjusted to redox equilibrium + pe = -0.505 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 303945 Density (g/cm³) = 1.07066 Volume (L) = 1.07303 @@ -33489,12 +33068,12 @@ Reaction 1. Activity of water = 0.913 Ionic strength (mol/kgw) = 2.547e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.996e-17 + Total alkalinity (eq/kg) = -8.016e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 3.489e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -2.128e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33509,22 +33088,21 @@ Reaction 1. Cl 2.547e+00 Cl- 2.547e+00 1.413e+00 0.406 0.150 -0.256 19.71 HCl 1.254e-08 1.521e-07 -7.902 -6.818 1.084 (0) -H(0) 6.167e-16 - H2 3.083e-16 5.543e-16 -15.511 -15.256 0.255 28.58 +H(0) 9.128e-16 + H2 4.564e-16 8.204e-16 -15.341 -15.086 0.255 28.58 Na 2.547e+00 Na+ 2.547e+00 2.179e+00 0.406 0.338 -0.068 1.16 - NaOH 3.473e-17 6.242e-17 -16.459 -16.205 0.255 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.819 -50.564 0.255 32.59 + O2 0.000e+00 0.000e+00 -51.159 -50.905 0.255 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.12 -15.26 -3.14 H2 + H2(g) -11.95 -15.09 -3.14 H2 H2O(g) -0.65 -0.04 0.61 H2O Halite -1.11 0.49 1.60 NaCl - O2(g) -47.49 -50.56 -3.08 O2 + O2(g) -47.83 -50.90 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33560,7 +33138,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.396 Charge balance - pe = -0.594 Adjusted to redox equilibrium + pe = -0.121 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 338067 Density (g/cm³) = 1.08627 Volume (L) = 1.08390 @@ -33568,12 +33146,12 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.036e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.887e-16 + Total alkalinity (eq/kg) = 1.374e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.22 - Electrical balance (eq) = 1.379e-09 + Electrical balance (eq) = 1.955e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33588,22 +33166,21 @@ Reaction 1. Cl 3.036e+00 Cl- 3.036e+00 1.682e+00 0.482 0.226 -0.256 19.84 HCl 9.263e-09 1.814e-07 -8.033 -6.741 1.292 (0) -H(0) 1.233e-15 - H2 6.163e-16 1.240e-15 -15.210 -14.907 0.304 28.58 +H(0) 1.397e-16 + H2 6.983e-17 1.405e-16 -16.156 -15.852 0.304 28.58 Na 3.036e+00 Na+ 3.036e+00 2.799e+00 0.482 0.447 -0.035 1.25 - NaOH 3.907e-17 7.860e-17 -16.408 -16.105 0.304 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.583 -51.279 0.304 32.59 + O2 0.000e+00 0.000e+00 -49.691 -49.388 0.304 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -11.77 -14.91 -3.14 H2 + H2(g) -12.71 -15.85 -3.14 H2 H2O(g) -0.66 -0.05 0.61 H2O Halite -0.93 0.67 1.60 NaCl - O2(g) -48.20 -51.28 -3.08 O2 + O2(g) -46.31 -49.39 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33639,7 +33216,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.397 Charge balance - pe = -0.376 Adjusted to redox equilibrium + pe = 8.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 389549 Density (g/cm³) = 1.11548 Volume (L) = 1.10548 @@ -33647,12 +33224,12 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 3.989e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.775e-17 + Total alkalinity (eq/kg) = 2.678e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.21 - Electrical balance (eq) = -5.956e-11 + Electrical balance (eq) = -5.513e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33667,22 +33244,21 @@ Reaction 1. Cl 3.989e+00 Cl- 3.989e+00 2.226e+00 0.601 0.347 -0.253 20.05 HCl 4.804e-09 2.396e-07 -8.318 -6.621 1.698 (0) -H(0) 3.600e-16 - H2 1.800e-16 4.510e-16 -15.745 -15.346 0.399 28.58 +H(0) 5.247e-34 + H2 2.624e-34 6.574e-34 -33.581 -33.182 0.399 28.58 Na 3.989e+00 Na+ 3.989e+00 4.292e+00 0.601 0.633 0.032 1.41 - NaOH 4.647e-17 1.164e-16 -16.333 -15.934 0.399 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.832 -50.433 0.399 32.59 +O(0) 1.386e-15 + O2 6.931e-16 1.737e-15 -15.159 -14.760 0.399 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.21 -15.35 -3.14 H2 + H2(g) -30.04 -33.18 -3.14 H2 H2O(g) -0.67 -0.06 0.61 H2O Halite -0.62 0.98 1.60 NaCl - O2(g) -47.36 -50.43 -3.08 O2 + O2(g) -11.68 -14.76 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33718,7 +33294,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.398 Charge balance - pe = -0.147 Adjusted to redox equilibrium + pe = -0.264 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 401278 Density (g/cm³) = 1.12368 Volume (L) = 1.11184 @@ -33726,12 +33302,12 @@ Reaction 1. Activity of water = 0.855 Ionic strength (mol/kgw) = 4.267e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.012e-16 + Total alkalinity (eq/kg) = -3.939e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.21 - Electrical balance (eq) = 3.422e-12 + Electrical balance (eq) = 1.347e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33746,22 +33322,21 @@ Reaction 1. Cl 4.267e+00 Cl- 4.267e+00 2.389e+00 0.630 0.378 -0.252 20.11 HCl 3.922e-09 2.567e-07 -8.406 -6.591 1.816 (0) -H(0) 1.171e-16 - H2 5.853e-17 1.563e-16 -16.233 -15.806 0.427 28.58 +H(0) 2.009e-16 + H2 1.005e-16 2.683e-16 -15.998 -15.571 0.427 28.58 Na 4.267e+00 Na+ 4.267e+00 4.809e+00 0.630 0.682 0.052 1.45 - NaOH 4.839e-17 1.293e-16 -16.315 -15.889 0.427 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.949 -49.522 0.427 32.59 + O2 0.000e+00 0.000e+00 -50.418 -49.992 0.427 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.67 -15.81 -3.14 H2 + H2(g) -12.43 -15.57 -3.14 H2 H2O(g) -0.68 -0.07 0.61 H2O Halite -0.54 1.06 1.60 NaCl - O2(g) -46.44 -49.52 -3.08 O2 + O2(g) -46.91 -49.99 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33797,7 +33372,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.399 Charge balance - pe = -0.727 Adjusted to redox equilibrium + pe = -0.406 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 412470 Density (g/cm³) = 1.13239 Volume (L) = 1.11873 @@ -33805,12 +33380,12 @@ Reaction 1. Activity of water = 0.845 Ionic strength (mol/kgw) = 4.566e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.312e-16 + Total alkalinity (eq/kg) = -6.433e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.21 - Electrical balance (eq) = 4.731e-11 + Electrical balance (eq) = 8.061e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33825,22 +33400,21 @@ Reaction 1. Cl 4.566e+00 Cl- 4.566e+00 2.568e+00 0.660 0.410 -0.250 20.16 HCl 3.138e-09 2.753e-07 -8.503 -6.560 1.943 (0) -H(0) 1.575e-15 - H2 7.873e-16 2.253e-15 -15.104 -14.647 0.457 28.58 +H(0) 3.595e-16 + H2 1.797e-16 5.143e-16 -15.745 -15.289 0.457 28.58 Na 4.566e+00 Na+ 4.566e+00 5.412e+00 0.660 0.733 0.074 1.49 - NaOH 5.035e-17 1.441e-16 -16.298 -15.841 0.457 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.307 -51.850 0.457 32.59 + O2 0.000e+00 0.000e+00 -51.024 -50.567 0.457 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -11.51 -14.65 -3.14 H2 + H2(g) -12.15 -15.29 -3.14 H2 H2O(g) -0.68 -0.07 0.61 H2O Halite -0.46 1.14 1.60 NaCl - O2(g) -48.77 -51.85 -3.08 O2 + O2(g) -47.49 -50.57 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33876,7 +33450,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.404 Charge balance - pe = 8.447 Adjusted to redox equilibrium + pe = -0.157 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 440238 Density (g/cm³) = 1.16025 Volume (L) = 1.14182 @@ -33884,12 +33458,12 @@ Reaction 1. Activity of water = 0.811 Ionic strength (mol/kgw) = 5.557e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.810e-16 + Total alkalinity (eq/kg) = 8.503e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.20 - Electrical balance (eq) = 7.951e-10 + Electrical balance (eq) = 4.451e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33904,22 +33478,21 @@ Reaction 1. Cl 5.557e+00 Cl- 5.557e+00 3.185e+00 0.745 0.503 -0.242 20.32 HCl 1.457e-09 3.378e-07 -8.837 -6.471 2.365 (0) -H(0) 5.501e-34 - H2 2.750e-34 9.888e-34 -33.561 -33.005 0.556 28.58 +H(0) 8.884e-17 + H2 4.442e-17 1.597e-16 -16.352 -15.797 0.556 28.58 Na 5.557e+00 Na+ 5.557e+00 7.811e+00 0.745 0.893 0.148 1.62 - NaOH 5.612e-17 2.018e-16 -16.251 -15.695 0.556 (0) -O(0) 3.759e-16 - O2 1.880e-16 6.758e-16 -15.726 -15.170 0.556 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -50.142 -49.587 0.556 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -29.87 -33.00 -3.14 H2 + H2(g) -12.66 -15.80 -3.14 H2 H2O(g) -0.70 -0.09 0.61 H2O Halite -0.20 1.40 1.60 NaCl - O2(g) -12.09 -15.17 -3.08 O2 + O2(g) -46.51 -49.59 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -33955,7 +33528,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.405 Charge balance - pe = -0.664 Adjusted to redox equilibrium + pe = 8.326 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 443504 Density (g/cm³) = 1.16456 Volume (L) = 1.14553 @@ -33963,12 +33536,12 @@ Reaction 1. Activity of water = 0.806 Ionic strength (mol/kgw) = 5.716e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.054e-17 + Total alkalinity (eq/kg) = 2.045e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.20 - Electrical balance (eq) = 5.986e-09 + Electrical balance (eq) = 2.155e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -33983,22 +33556,21 @@ Reaction 1. Cl 5.716e+00 Cl- 5.716e+00 3.287e+00 0.757 0.517 -0.240 20.34 HCl 1.285e-09 3.479e-07 -8.891 -6.459 2.433 (0) -H(0) 8.836e-16 - H2 4.418e-16 1.647e-15 -15.355 -14.783 0.572 28.58 +H(0) 9.227e-34 + H2 4.613e-34 1.720e-33 -33.336 -32.764 0.572 28.58 Na 5.716e+00 Na+ 5.716e+00 8.258e+00 0.757 0.917 0.160 1.64 - NaOH 5.694e-17 2.123e-16 -16.245 -15.673 0.572 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.191 -51.619 0.572 32.59 +O(0) 1.182e-16 + O2 5.909e-17 2.203e-16 -16.228 -15.657 0.572 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -11.65 -14.78 -3.14 H2 + H2(g) -29.63 -32.76 -3.14 H2 H2O(g) -0.70 -0.09 0.61 H2O Halite -0.16 1.43 1.60 NaCl - O2(g) -48.54 -51.62 -3.08 O2 + O2(g) -12.58 -15.66 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34034,7 +33606,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.406 Charge balance - pe = -0.263 Adjusted to redox equilibrium + pe = 8.291 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 447192 Density (g/cm³) = 1.16991 Volume (L) = 1.15020 @@ -34042,12 +33614,12 @@ Reaction 1. Activity of water = 0.799 Ionic strength (mol/kgw) = 5.914e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.263e-16 + Total alkalinity (eq/kg) = 5.767e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.20 - Electrical balance (eq) = -1.535e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Electrical balance (eq) = 4.428e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 34 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34062,22 +33634,21 @@ Reaction 1. Cl 5.914e+00 Cl- 5.914e+00 3.416e+00 0.772 0.534 -0.238 20.37 HCl 1.097e-09 3.606e-07 -8.960 -6.443 2.517 (0) -H(0) 1.321e-16 - H2 6.607e-17 2.578e-16 -16.180 -15.589 0.591 28.58 +H(0) 1.033e-33 + H2 5.163e-34 2.015e-33 -33.287 -32.696 0.591 28.58 Na 5.914e+00 Na+ 5.914e+00 8.844e+00 0.772 0.947 0.175 1.67 - NaOH 5.793e-17 2.261e-16 -16.237 -15.646 0.591 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.607 -50.016 0.591 32.59 +O(0) 8.092e-17 + O2 4.046e-17 1.579e-16 -16.393 -15.802 0.591 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.45 -15.59 -3.14 H2 + H2(g) -29.56 -32.70 -3.14 H2 H2O(g) -0.71 -0.10 0.61 H2O Halite -0.12 1.48 1.60 NaCl - O2(g) -46.94 -50.02 -3.08 O2 + O2(g) -12.72 -15.80 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34217,7 +33788,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.143 Charge balance - pe = 0.514 Adjusted to redox equilibrium + pe = 0.344 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 26080 Density (g/cm³) = 0.96585 Volume (L) = 1.04140 @@ -34225,12 +33796,12 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.372e-15 + Total alkalinity (eq/kg) = 4.296e-14 Temperature (°C) = 95.00 Pressure (atm) = 0.83 - Electrical balance (eq) = 1.427e-13 + Electrical balance (eq) = 8.303e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34245,22 +33816,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.363e-02 -1.000 -1.133 -0.133 17.04 HCl 1.073e-08 1.183e-08 -7.969 -7.927 0.043 (0) -H(0) 3.828e-17 - H2 1.914e-17 1.959e-17 -16.718 -16.708 0.010 28.57 +H(0) 8.387e-17 + H2 4.193e-17 4.291e-17 -16.377 -16.367 0.010 28.57 Na 1.000e-01 Na+ 1.000e-01 7.553e-02 -1.000 -1.122 -0.122 0.66 - NaOH 4.895e-18 5.009e-18 -17.310 -17.300 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.682 -40.672 0.010 33.72 + O2 0.000e+00 0.000e+00 -41.363 -41.353 0.010 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -13.60 -16.71 -3.11 H2 + H2(g) -13.26 -16.37 -3.11 H2 H2O(g) -0.08 -0.00 0.08 H2O Halite -3.87 -2.25 1.62 NaCl - O2(g) -37.56 -40.67 -3.11 O2 + O2(g) -38.24 -41.35 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34296,7 +33866,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.135 Charge balance - pe = 0.277 Adjusted to redox equilibrium + pe = 0.438 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 49276 Density (g/cm³) = 0.96975 Volume (L) = 1.04325 @@ -34304,12 +33874,12 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.887e-16 + Total alkalinity (eq/kg) = 5.000e-14 Temperature (°C) = 95.00 Pressure (atm) = 0.83 - Electrical balance (eq) = 2.221e-13 + Electrical balance (eq) = 3.001e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34324,22 +33894,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.361e-01 -0.699 -0.866 -0.167 17.27 HCl 1.831e-08 2.227e-08 -7.737 -7.652 0.085 (0) -H(0) 1.155e-16 - H2 5.774e-17 6.046e-17 -16.239 -16.219 0.020 28.57 +H(0) 5.488e-17 + H2 2.744e-17 2.873e-17 -16.562 -16.542 0.020 28.57 Na 2.000e-01 Na+ 2.000e-01 1.426e-01 -0.699 -0.846 -0.147 0.80 - NaOH 8.841e-18 9.258e-18 -17.053 -17.033 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -41.674 -41.654 0.020 33.72 + O2 0.000e+00 0.000e+00 -41.027 -41.007 0.020 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -13.11 -16.22 -3.11 H2 + H2(g) -13.43 -16.54 -3.11 H2 H2O(g) -0.09 -0.00 0.08 H2O Halite -3.33 -1.71 1.62 NaCl - O2(g) -38.54 -41.65 -3.11 O2 + O2(g) -37.89 -41.01 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34375,7 +33944,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.132 Charge balance - pe = 0.474 Adjusted to redox equilibrium + pe = 0.427 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 61653 Density (g/cm³) = 0.97191 Volume (L) = 1.04430 @@ -34383,12 +33952,12 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.562e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.475e-14 + Total alkalinity (eq/kg) = 4.813e-14 Temperature (°C) = 95.00 Pressure (atm) = 0.83 - Electrical balance (eq) = 4.229e-12 + Electrical balance (eq) = 3.899e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34403,22 +33972,21 @@ Reaction 1. Cl 2.562e-01 Cl- 2.562e-01 1.693e-01 -0.591 -0.771 -0.180 17.37 HCl 2.170e-08 2.789e-08 -7.664 -7.555 0.109 (0) -H(0) 4.658e-17 - H2 2.329e-17 2.470e-17 -16.633 -16.607 0.026 28.57 +H(0) 5.794e-17 + H2 2.897e-17 3.073e-17 -16.538 -16.512 0.026 28.57 Na 2.562e-01 Na+ 2.562e-01 1.793e-01 -0.591 -0.746 -0.155 0.85 - NaOH 1.087e-17 1.154e-17 -16.964 -16.938 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.903 -40.878 0.026 33.72 + O2 0.000e+00 0.000e+00 -41.093 -41.067 0.026 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -13.50 -16.61 -3.11 H2 + H2(g) -13.40 -16.51 -3.11 H2 H2O(g) -0.09 -0.00 0.08 H2O Halite -3.13 -1.52 1.62 NaCl - O2(g) -37.76 -40.88 -3.11 O2 + O2(g) -37.95 -41.07 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34454,7 +34022,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.131 Charge balance - pe = 0.460 Adjusted to redox equilibrium + pe = 0.319 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 63711 Density (g/cm³) = 0.97228 Volume (L) = 1.04448 @@ -34462,12 +34030,12 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.657e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.842e-15 + Total alkalinity (eq/kg) = 2.438e-16 Temperature (°C) = 95.00 Pressure (atm) = 0.83 - Electrical balance (eq) = 2.671e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -3.899e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34482,22 +34050,21 @@ Reaction 1. Cl 2.657e-01 Cl- 2.657e-01 1.748e-01 -0.576 -0.758 -0.182 17.38 HCl 2.222e-08 2.883e-08 -7.653 -7.540 0.113 (0) -H(0) 4.973e-17 - H2 2.486e-17 2.643e-17 -16.604 -16.578 0.027 28.57 +H(0) 9.524e-17 + H2 4.762e-17 5.062e-17 -16.322 -16.296 0.027 28.57 Na 2.657e-01 Na+ 2.657e-01 1.855e-01 -0.576 -0.732 -0.156 0.86 - NaOH 1.121e-17 1.192e-17 -16.950 -16.924 0.027 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.963 -40.937 0.027 33.72 + O2 0.000e+00 0.000e+00 -41.528 -41.501 0.027 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -13.47 -16.58 -3.11 H2 + H2(g) -13.19 -16.30 -3.11 H2 H2O(g) -0.09 -0.00 0.08 H2O Halite -3.10 -1.49 1.62 NaCl - O2(g) -37.82 -40.94 -3.11 O2 + O2(g) -38.39 -41.50 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34533,7 +34100,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.129 Charge balance - pe = 6.529 Adjusted to redox equilibrium + pe = 0.357 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 75280 Density (g/cm³) = 0.97436 Volume (L) = 1.04551 @@ -34541,12 +34108,12 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.200e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.624e-15 + Total alkalinity (eq/kg) = 6.078e-12 Temperature (°C) = 95.00 Pressure (atm) = 0.83 - Electrical balance (eq) = 1.894e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.034e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34561,22 +34128,21 @@ Reaction 1. Cl 3.200e-01 Cl- 3.200e-01 2.058e-01 -0.495 -0.686 -0.192 17.47 HCl 2.496e-08 3.415e-08 -7.603 -7.467 0.136 (0) -H(0) 3.623e-29 - H2 1.812e-29 1.950e-29 -28.742 -28.710 0.032 28.57 +H(0) 7.997e-17 + H2 3.998e-17 4.304e-17 -16.398 -16.366 0.032 28.57 Na 3.200e-01 Na+ 3.200e-01 2.207e-01 -0.495 -0.656 -0.161 0.90 - NaOH 1.307e-17 1.407e-17 -16.884 -16.852 0.032 (0) -O(0) 3.933e-17 - O2 1.966e-17 2.117e-17 -16.706 -16.674 0.032 33.72 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -41.394 -41.362 0.032 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -25.60 -28.71 -3.11 H2 + H2(g) -13.26 -16.37 -3.11 H2 H2O(g) -0.09 -0.00 0.08 H2O Halite -2.96 -1.34 1.62 NaCl - O2(g) -13.56 -16.67 -3.11 O2 + O2(g) -38.25 -41.36 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34612,7 +34178,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.123 Charge balance - pe = 0.108 Adjusted to redox equilibrium + pe = 0.523 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 111686 Density (g/cm³) = 0.98115 Volume (L) = 1.04899 @@ -34620,12 +34186,12 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.193e-13 + Total alkalinity (eq/kg) = 2.241e-13 Temperature (°C) = 95.00 Pressure (atm) = 0.82 - Electrical balance (eq) = -1.163e-09 + Electrical balance (eq) = -2.409e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 36 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34640,22 +34206,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.049e-01 -0.301 -0.516 -0.215 17.71 HCl 3.144e-08 5.132e-08 -7.503 -7.290 0.213 (0) -H(0) 2.486e-16 - H2 1.243e-16 1.395e-16 -15.906 -15.856 0.050 28.57 +H(0) 3.677e-17 + H2 1.838e-17 2.063e-17 -16.736 -16.686 0.050 28.57 Na 5.000e-01 Na+ 5.000e-01 3.379e-01 -0.301 -0.471 -0.170 1.01 - NaOH 1.881e-17 2.111e-17 -16.726 -16.676 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -42.438 -42.388 0.050 33.72 + O2 0.000e+00 0.000e+00 -40.778 -40.728 0.050 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -12.75 -15.86 -3.11 H2 + H2(g) -13.58 -16.69 -3.11 H2 H2O(g) -0.09 -0.01 0.08 H2O Halite -2.60 -0.99 1.62 NaCl - O2(g) -39.27 -42.39 -3.11 O2 + O2(g) -37.61 -40.73 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34691,7 +34256,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.121 Charge balance - pe = 0.238 Adjusted to redox equilibrium + pe = 0.586 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 119389 Density (g/cm³) = 0.98264 Volume (L) = 1.04977 @@ -34699,12 +34264,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.398e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.387e-17 + Total alkalinity (eq/kg) = -1.079e-17 Temperature (°C) = 95.00 Pressure (atm) = 0.82 - Electrical balance (eq) = 6.467e-14 + Electrical balance (eq) = 1.262e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34719,22 +34284,21 @@ Reaction 1. Cl 5.398e-01 Cl- 5.398e-01 3.262e-01 -0.268 -0.487 -0.219 17.75 HCl 3.243e-08 5.505e-08 -7.489 -7.259 0.230 (0) -H(0) 1.360e-16 - H2 6.800e-17 7.700e-17 -16.168 -16.114 0.054 28.57 +H(0) 2.736e-17 + H2 1.368e-17 1.549e-17 -16.864 -16.810 0.054 28.57 Na 5.398e-01 Na+ 5.398e-01 3.642e-01 -0.268 -0.439 -0.171 1.03 - NaOH 2.001e-17 2.266e-17 -16.699 -16.645 0.054 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -41.928 -41.874 0.054 33.72 + O2 0.000e+00 0.000e+00 -40.535 -40.481 0.054 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -13.00 -16.11 -3.11 H2 + H2(g) -13.70 -16.81 -3.11 H2 H2O(g) -0.09 -0.01 0.08 H2O Halite -2.54 -0.93 1.62 NaCl - O2(g) -38.76 -41.87 -3.11 O2 + O2(g) -37.37 -40.48 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34770,7 +34334,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.116 Charge balance - pe = 0.180 Adjusted to redox equilibrium + pe = 0.073 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 166785 Density (g/cm³) = 0.99216 Volume (L) = 1.05490 @@ -34778,12 +34342,12 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.980e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.583e-15 + Total alkalinity (eq/kg) = 4.341e-17 Temperature (°C) = 95.00 Pressure (atm) = 0.81 - Electrical balance (eq) = -2.657e-09 + Electrical balance (eq) = -5.258e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 19 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34798,22 +34362,21 @@ Reaction 1. Cl 7.980e-01 Cl- 7.980e-01 4.616e-01 -0.098 -0.336 -0.238 18.00 HCl 3.611e-08 7.894e-08 -7.442 -7.103 0.340 (0) -H(0) 1.721e-16 - H2 8.605e-17 1.034e-16 -16.065 -15.985 0.080 28.57 +H(0) 2.806e-16 + H2 1.403e-16 1.686e-16 -15.853 -15.773 0.080 28.57 Na 7.980e-01 Na+ 7.980e-01 5.389e-01 -0.098 -0.268 -0.170 1.13 - NaOH 2.729e-17 3.279e-17 -16.564 -16.484 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -42.217 -42.138 0.080 33.72 + O2 0.000e+00 0.000e+00 -42.642 -42.562 0.080 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -12.88 -15.99 -3.11 H2 + H2(g) -12.66 -15.77 -3.11 H2 H2O(g) -0.10 -0.01 0.08 H2O Halite -2.22 -0.60 1.62 NaCl - O2(g) -39.02 -42.14 -3.11 O2 + O2(g) -39.45 -42.56 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34849,7 +34412,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.116 Charge balance - pe = 0.363 Adjusted to redox equilibrium + pe = 0.168 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 167135 Density (g/cm³) = 0.99224 Volume (L) = 1.05494 @@ -34857,12 +34420,12 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.695e-17 + Total alkalinity (eq/kg) = 1.093e-16 Temperature (°C) = 95.00 Pressure (atm) = 0.81 - Electrical balance (eq) = 3.960e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Electrical balance (eq) = -3.525e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34877,22 +34440,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.627e-01 -0.097 -0.335 -0.238 18.01 HCl 3.613e-08 7.913e-08 -7.442 -7.102 0.340 (0) -H(0) 7.378e-17 - H2 3.689e-17 4.435e-17 -16.433 -16.353 0.080 28.57 +H(0) 1.813e-16 + H2 9.066e-17 1.090e-16 -16.043 -15.963 0.080 28.57 Na 8.000e-01 Na+ 8.000e-01 5.403e-01 -0.097 -0.267 -0.170 1.13 - NaOH 2.734e-17 3.287e-17 -16.563 -16.483 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -41.482 -41.402 0.080 33.72 + O2 0.000e+00 0.000e+00 -42.263 -42.183 0.080 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -13.24 -16.35 -3.11 H2 + H2(g) -12.85 -15.96 -3.11 H2 H2O(g) -0.10 -0.01 0.08 H2O Halite -2.22 -0.60 1.62 NaCl - O2(g) -38.29 -41.40 -3.11 O2 + O2(g) -39.07 -42.18 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -34928,7 +34490,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.111 Charge balance - pe = 7.202 Adjusted to redox equilibrium + pe = 7.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 213368 Density (g/cm³) = 1.00218 Volume (L) = 1.06054 @@ -34936,12 +34498,12 @@ Reaction 1. Activity of water = 0.963 Ionic strength (mol/kgw) = 1.076e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.808e-15 + Total alkalinity (eq/kg) = 4.738e-13 Temperature (°C) = 95.00 Pressure (atm) = 0.80 - Electrical balance (eq) = -8.433e-12 + Electrical balance (eq) = -8.143e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -34956,22 +34518,21 @@ Reaction 1. Cl 1.076e+00 Cl- 1.076e+00 6.038e-01 0.032 -0.219 -0.251 18.23 HCl 3.637e-08 1.043e-07 -7.439 -6.982 0.458 (0) -H(0) 1.484e-30 - H2 7.420e-31 9.505e-31 -30.130 -30.022 0.108 28.57 +H(0) 1.955e-30 + H2 9.773e-31 1.252e-30 -30.010 -29.902 0.108 28.57 Na 1.076e+00 Na+ 1.076e+00 7.385e-01 0.032 -0.132 -0.163 1.22 - NaOH 3.438e-17 4.404e-17 -16.464 -16.356 0.108 (0) -O(0) 1.320e-14 - O2 6.599e-15 8.454e-15 -14.180 -14.073 0.108 33.72 +O(0) 7.608e-15 + O2 3.804e-15 4.873e-15 -14.420 -14.312 0.108 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.91 -30.02 -3.11 H2 + H2(g) -26.79 -29.90 -3.11 H2 H2O(g) -0.10 -0.02 0.08 H2O Halite -1.97 -0.35 1.62 NaCl - O2(g) -10.96 -14.07 -3.11 O2 + O2(g) -11.20 -14.31 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35007,7 +34568,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.111 Charge balance - pe = -0.122 Adjusted to redox equilibrium + pe = 0.423 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 214010 Density (g/cm³) = 1.00232 Volume (L) = 1.06063 @@ -35015,12 +34576,12 @@ Reaction 1. Activity of water = 0.963 Ionic strength (mol/kgw) = 1.080e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.281e-14 + Total alkalinity (eq/kg) = 1.598e-15 Temperature (°C) = 95.00 Pressure (atm) = 0.80 - Electrical balance (eq) = -1.626e-11 + Electrical balance (eq) = -2.683e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35035,22 +34596,21 @@ Reaction 1. Cl 1.080e+00 Cl- 1.080e+00 6.059e-01 0.033 -0.218 -0.251 18.23 HCl 3.635e-08 1.047e-07 -7.440 -6.980 0.459 (0) -H(0) 6.593e-16 - H2 3.296e-16 4.227e-16 -15.482 -15.374 0.108 28.57 +H(0) 5.378e-17 + H2 2.689e-17 3.448e-17 -16.570 -16.462 0.108 28.57 Na 1.080e+00 Na+ 1.080e+00 7.415e-01 0.033 -0.130 -0.163 1.22 - NaOH 3.448e-17 4.421e-17 -16.462 -16.355 0.108 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.477 -43.369 0.108 33.72 + O2 0.000e+00 0.000e+00 -41.300 -41.192 0.108 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -12.26 -15.37 -3.11 H2 + H2(g) -13.35 -16.46 -3.11 H2 H2O(g) -0.10 -0.02 0.08 H2O Halite -1.96 -0.35 1.62 NaCl - O2(g) -40.25 -43.37 -3.11 O2 + O2(g) -38.08 -41.19 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35086,20 +34646,20 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.110 Charge balance - pe = 6.936 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 232964 + pe = 6.823 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 95°C) = 232963 Density (g/cm³) = 1.00661 Volume (L) = 1.06311 Viscosity (mPa s) = 0.34304 Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.936e-13 + Total alkalinity (eq/kg) = 6.121e-14 Temperature (°C) = 95.00 Pressure (atm) = 0.80 - Electrical balance (eq) = 4.255e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Electrical balance (eq) = -3.351e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35114,22 +34674,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 6.671e-01 0.079 -0.176 -0.255 18.31 HCl 3.569e-08 1.157e-07 -7.447 -6.937 0.511 (0) -H(0) 4.961e-30 - H2 2.480e-30 3.270e-30 -29.605 -29.485 0.120 28.57 +H(0) 8.332e-30 + H2 4.166e-30 5.492e-30 -29.380 -29.260 0.120 28.57 Na 1.200e+00 Na+ 1.200e+00 8.328e-01 0.079 -0.079 -0.159 1.25 - NaOH 3.737e-17 4.926e-17 -16.428 -16.308 0.120 (0) -O(0) 1.074e-15 - O2 5.371e-16 7.081e-16 -15.270 -15.150 0.120 33.72 +O(0) 3.808e-16 + O2 1.904e-16 2.510e-16 -15.720 -15.600 0.120 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.38 -29.49 -3.11 H2 + H2(g) -26.15 -29.26 -3.11 H2 H2O(g) -0.10 -0.02 0.08 H2O Halite -1.87 -0.26 1.62 NaCl - O2(g) -12.04 -15.15 -3.11 O2 + O2(g) -12.49 -15.60 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35165,7 +34724,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.105 Charge balance - pe = 0.161 Adjusted to redox equilibrium + pe = 0.356 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 300808 Density (g/cm³) = 1.02307 Volume (L) = 1.07301 @@ -35173,12 +34732,12 @@ Reaction 1. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.673e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.230e-10 + Total alkalinity (eq/kg) = 4.080e-10 Temperature (°C) = 95.00 Pressure (atm) = 0.79 - Electrical balance (eq) = -5.740e-10 + Electrical balance (eq) = -8.774e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35187,28 +34746,27 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.151e-06 5.754e-07 -5.939 -6.240 -0.301 -1.31 + OH- 1.151e-06 5.755e-07 -5.939 -6.240 -0.301 -1.31 H+ 1.120e-06 7.854e-07 -5.951 -6.105 -0.154 0.00 H2O 5.551e+01 9.431e-01 1.744 -0.025 0.000 18.73 Cl 1.673e+00 Cl- 1.673e+00 9.064e-01 0.223 -0.043 -0.266 18.60 - HCl 3.085e-08 1.589e-07 -7.511 -6.799 0.712 (0) -H(0) 1.608e-16 - H2 8.040e-17 1.182e-16 -16.095 -15.927 0.167 28.57 + HCl 3.084e-08 1.589e-07 -7.511 -6.799 0.712 (0) +H(0) 6.557e-17 + H2 3.279e-17 4.819e-17 -16.484 -16.317 0.167 28.57 Na 1.673e+00 Na+ 1.673e+00 1.222e+00 0.223 0.087 -0.136 1.35 - NaOH 4.783e-17 7.030e-17 -16.320 -16.153 0.167 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -42.448 -42.281 0.167 33.72 + O2 0.000e+00 0.000e+00 -41.669 -41.501 0.167 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -12.82 -15.93 -3.11 H2 + H2(g) -13.21 -16.32 -3.11 H2 H2O(g) -0.11 -0.03 0.08 H2O Halite -1.57 0.04 1.62 NaCl - O2(g) -39.17 -42.28 -3.11 O2 + O2(g) -38.39 -41.50 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35244,7 +34802,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.103 Charge balance - pe = 6.816 Adjusted to redox equilibrium + pe = 6.652 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 336217 Density (g/cm³) = 1.03248 Volume (L) = 1.07892 @@ -35252,12 +34810,12 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.950e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.045e-14 + Total alkalinity (eq/kg) = 1.054e-13 Temperature (°C) = 95.00 Pressure (atm) = 0.78 - Electrical balance (eq) = 1.001e-12 + Electrical balance (eq) = 9.915e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35272,22 +34830,21 @@ Reaction 1. Cl 1.950e+00 Cl- 1.950e+00 1.047e+00 0.290 0.020 -0.270 18.75 HCl 2.728e-08 1.844e-07 -7.564 -6.734 0.830 (0) -H(0) 7.466e-30 - H2 3.733e-30 5.849e-30 -29.428 -29.233 0.195 28.57 +H(0) 1.586e-29 + H2 7.932e-30 1.243e-29 -29.101 -28.906 0.195 28.57 Na 1.950e+00 Na+ 1.950e+00 1.475e+00 0.290 0.169 -0.121 1.40 - NaOH 5.341e-17 8.367e-17 -16.272 -16.077 0.195 (0) -O(0) 2.677e-16 - O2 1.339e-16 2.097e-16 -15.873 -15.678 0.195 33.72 +O(0) 5.930e-17 + O2 2.965e-17 4.645e-17 -16.528 -16.333 0.195 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.12 -29.23 -3.11 H2 + H2(g) -25.80 -28.91 -3.11 H2 H2O(g) -0.11 -0.03 0.08 H2O Halite -1.43 0.19 1.62 NaCl - O2(g) -12.56 -15.68 -3.11 O2 + O2(g) -13.22 -16.33 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35323,7 +34880,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.101 Charge balance - pe = -0.048 Adjusted to redox equilibrium + pe = 6.653 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 372390 Density (g/cm³) = 1.04284 Volume (L) = 1.08561 @@ -35331,12 +34888,12 @@ Reaction 1. Activity of water = 0.923 Ionic strength (mol/kgw) = 2.261e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.093e-16 + Total alkalinity (eq/kg) = 1.013e-15 Temperature (°C) = 95.00 Pressure (atm) = 0.77 - Electrical balance (eq) = 4.511e-15 + Electrical balance (eq) = 2.184e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35351,22 +34908,21 @@ Reaction 1. Cl 2.261e+00 Cl- 2.261e+00 1.206e+00 0.354 0.081 -0.273 18.89 HCl 2.325e-08 2.131e-07 -7.634 -6.671 0.962 (0) -H(0) 3.744e-16 - H2 1.872e-16 3.150e-16 -15.728 -15.502 0.226 28.57 +H(0) 1.483e-29 + H2 7.416e-30 1.248e-29 -29.130 -28.904 0.226 28.57 Na 2.261e+00 Na+ 2.261e+00 1.785e+00 0.354 0.252 -0.103 1.45 - NaOH 5.926e-17 9.973e-17 -16.227 -16.001 0.226 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -43.377 -43.151 0.226 33.72 +O(0) 5.350e-17 + O2 2.675e-17 4.501e-17 -16.573 -16.347 0.226 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -12.39 -15.50 -3.11 H2 + H2(g) -25.79 -28.90 -3.11 H2 H2O(g) -0.12 -0.03 0.08 H2O Halite -1.28 0.33 1.62 NaCl - O2(g) -40.04 -43.15 -3.11 O2 + O2(g) -13.23 -16.35 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35402,7 +34958,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.100 Charge balance - pe = 6.427 Adjusted to redox equilibrium + pe = -0.090 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 434537 Density (g/cm³) = 1.06286 Volume (L) = 1.09915 @@ -35410,12 +34966,12 @@ Reaction 1. Activity of water = 0.902 Ionic strength (mol/kgw) = 2.879e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.721e-14 + Total alkalinity (eq/kg) = 4.144e-16 Temperature (°C) = 95.00 Pressure (atm) = 0.75 - Electrical balance (eq) = 2.327e-08 + Electrical balance (eq) = 1.242e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35430,22 +34986,21 @@ Reaction 1. Cl 2.879e+00 Cl- 2.879e+00 1.528e+00 0.459 0.184 -0.275 19.14 HCl 1.612e-08 2.708e-07 -7.793 -6.567 1.225 (0) -H(0) 3.660e-29 - H2 1.830e-29 3.551e-29 -28.738 -28.450 0.288 28.57 +H(0) 3.965e-16 + H2 1.982e-16 3.846e-16 -15.703 -15.415 0.288 28.57 Na 2.879e+00 Na+ 2.879e+00 2.490e+00 0.459 0.396 -0.063 1.53 - NaOH 6.984e-17 1.355e-16 -16.156 -15.868 0.288 (0) -O(0) 5.473e-18 - O2 2.737e-18 5.310e-18 -17.563 -17.275 0.288 33.72 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -43.632 -43.344 0.288 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -25.34 -28.45 -3.11 H2 + H2(g) -12.31 -15.41 -3.11 H2 H2O(g) -0.13 -0.04 0.08 H2O Halite -1.04 0.58 1.62 NaCl - O2(g) -14.16 -17.27 -3.11 O2 + O2(g) -40.23 -43.34 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35481,7 +35036,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.100 Charge balance - pe = -0.289 Adjusted to redox equilibrium + pe = 0.217 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 487646 Density (g/cm³) = 1.08321 Volume (L) = 1.11370 @@ -35489,12 +35044,12 @@ Reaction 1. Activity of water = 0.880 Ionic strength (mol/kgw) = 3.531e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.570e-16 + Total alkalinity (eq/kg) = -6.249e-17 Temperature (°C) = 95.00 Pressure (atm) = 0.73 - Electrical balance (eq) = 1.384e-15 + Electrical balance (eq) = 6.589e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35509,22 +35064,21 @@ Reaction 1. Cl 3.531e+00 Cl- 3.531e+00 1.876e+00 0.548 0.273 -0.275 19.37 HCl 1.045e-08 3.326e-07 -7.981 -6.478 1.503 (0) -H(0) 8.531e-16 - H2 4.266e-16 9.618e-16 -15.370 -15.017 0.353 28.57 +H(0) 8.304e-17 + H2 4.152e-17 9.362e-17 -16.382 -16.029 0.353 28.57 Na 3.531e+00 Na+ 3.531e+00 3.385e+00 0.548 0.530 -0.018 1.61 - NaOH 7.971e-17 1.797e-16 -16.099 -15.745 0.353 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -44.515 -44.162 0.353 33.72 + O2 0.000e+00 0.000e+00 -42.492 -42.138 0.353 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -11.91 -15.02 -3.11 H2 + H2(g) -12.92 -16.03 -3.11 H2 H2O(g) -0.14 -0.06 0.08 H2O Halite -0.81 0.80 1.62 NaCl - O2(g) -41.05 -44.16 -3.11 O2 + O2(g) -39.02 -42.14 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35560,7 +35114,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.101 Charge balance - pe = 5.673 Adjusted to redox equilibrium + pe = 0.453 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 524578 Density (g/cm³) = 1.10012 Volume (L) = 1.12639 @@ -35568,12 +35122,12 @@ Reaction 1. Activity of water = 0.861 Ionic strength (mol/kgw) = 4.092e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.429e-16 + Total alkalinity (eq/kg) = -2.570e-16 Temperature (°C) = 95.00 Pressure (atm) = 0.72 - Electrical balance (eq) = 1.685e-09 + Electrical balance (eq) = 8.691e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35588,22 +35142,21 @@ Reaction 1. Cl 4.092e+00 Cl- 4.092e+00 2.186e+00 0.612 0.340 -0.272 19.54 HCl 7.005e-09 3.864e-07 -8.155 -6.413 1.742 (0) -H(0) 8.887e-28 - H2 4.444e-28 1.140e-27 -27.352 -26.943 0.409 28.57 +H(0) 2.439e-17 + H2 1.220e-17 3.130e-17 -16.914 -16.505 0.409 28.57 Na 4.092e+00 Na+ 4.092e+00 4.300e+00 0.612 0.633 0.021 1.66 - NaOH 8.728e-17 2.239e-16 -16.059 -15.650 0.409 (0) -O(0) 3.656e-21 - O2 1.828e-21 4.691e-21 -20.738 -20.329 0.409 33.72 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -41.615 -41.206 0.409 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -23.83 -26.94 -3.11 H2 + H2(g) -13.40 -16.50 -3.11 H2 H2O(g) -0.15 -0.07 0.08 H2O Halite -0.64 0.97 1.62 NaCl - O2(g) -17.21 -20.33 -3.11 O2 + O2(g) -38.09 -41.21 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35639,7 +35192,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.101 Charge balance - pe = 6.840 Adjusted to redox equilibrium + pe = -0.088 Adjusted to redox equilibrium Specific Conductance (µS/cm, 95°C) = 528607 Density (g/cm³) = 1.10216 Volume (L) = 1.12796 @@ -35647,12 +35200,12 @@ Reaction 1. Activity of water = 0.859 Ionic strength (mol/kgw) = 4.161e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.436e-16 + Total alkalinity (eq/kg) = 2.172e-16 Temperature (°C) = 95.00 Pressure (atm) = 0.72 - Electrical balance (eq) = 2.006e-14 + Electrical balance (eq) = 9.430e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35667,22 +35220,21 @@ Reaction 1. Cl 4.161e+00 Cl- 4.161e+00 2.224e+00 0.619 0.347 -0.272 19.56 HCl 6.660e-09 3.930e-07 -8.177 -6.406 1.771 (0) -H(0) 4.054e-30 - H2 2.027e-30 5.284e-30 -29.693 -29.277 0.416 28.57 +H(0) 2.905e-16 + H2 1.453e-16 3.786e-16 -15.838 -15.422 0.416 28.57 Na 4.161e+00 Na+ 4.161e+00 4.422e+00 0.619 0.646 0.026 1.67 - NaOH 8.815e-17 2.298e-16 -16.055 -15.639 0.416 (0) -O(0) 1.667e-16 - O2 8.333e-17 2.172e-16 -16.079 -15.663 0.416 33.72 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -43.790 -43.374 0.416 33.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(368 K, 1 atm) - H2(g) -26.17 -29.28 -3.11 H2 + H2(g) -12.31 -15.42 -3.11 H2 H2O(g) -0.15 -0.07 0.08 H2O Halite -0.62 0.99 1.62 NaCl - O2(g) -12.55 -15.66 -3.11 O2 + O2(g) -40.26 -43.37 -3.11 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35822,7 +35374,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 5.897 Charge balance - pe = 4.619 Adjusted to redox equilibrium + pe = 0.567 Adjusted to redox equilibrium Specific Conductance (µS/cm, 125°C) = 183745 Density (g/cm³) = 0.96664 Volume (L) = 1.07725 @@ -35830,12 +35382,12 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.069e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.112e-16 + Total alkalinity (eq/kg) = 1.067e-16 Temperature (°C) = 125.00 Pressure (atm) = 2.24 - Electrical balance (eq) = -4.049e-09 + Electrical balance (eq) = -9.575e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 5 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35850,22 +35402,21 @@ Reaction 1. Cl 7.069e-01 Cl- 7.069e-01 3.977e-01 -0.151 -0.400 -0.250 15.96 HCl 4.679e-08 9.354e-08 -7.330 -7.029 0.301 (0) -H(0) 5.308e-25 - H2 2.654e-25 3.123e-25 -24.576 -24.505 0.071 28.56 +H(0) 6.734e-17 + H2 3.367e-17 3.962e-17 -16.473 -16.402 0.071 28.56 Na 7.069e-01 Na+ 7.069e-01 4.584e-01 -0.151 -0.339 -0.188 1.45 - NaOH 3.863e-17 4.545e-17 -16.413 -16.342 0.071 (0) -O(0) 1.014e-19 - O2 5.069e-20 5.965e-20 -19.295 -19.224 0.071 34.83 +O(0) 6.299e-36 + O2 3.150e-36 3.706e-36 -35.502 -35.431 0.071 34.83 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(398 K, 2 atm) - H2(g) -21.46 -24.51 -3.05 H2 + H2(g) -13.35 -16.40 -3.05 H2 H2O(g) 0.34 -0.01 -0.35 H2O Halite -2.37 -0.74 1.63 NaCl - O2(g) -16.13 -19.22 -3.09 O2 + O2(g) -32.34 -35.43 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35901,7 +35452,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 5.891 Charge balance - pe = 5.202 Adjusted to redox equilibrium + pe = 0.133 Adjusted to redox equilibrium Specific Conductance (µS/cm, 125°C) = 245529 Density (g/cm³) = 0.97750 Volume (L) = 1.08281 @@ -35909,12 +35460,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.512e-16 + Total alkalinity (eq/kg) = 1.954e-16 Temperature (°C) = 125.00 Pressure (atm) = 2.21 - Electrical balance (eq) = -1.182e-09 + Electrical balance (eq) = -3.051e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -35929,22 +35480,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 5.411e-01 -0.000 -0.267 -0.267 16.33 HCl 4.840e-08 1.290e-07 -7.315 -6.890 0.426 (0) -H(0) 3.478e-26 - H2 1.739e-26 2.189e-26 -25.760 -25.660 0.100 28.56 +H(0) 4.768e-16 + H2 2.384e-16 3.002e-16 -15.623 -15.523 0.100 28.56 Na 1.000e+00 Na+ 1.000e+00 6.556e-01 0.000 -0.183 -0.183 1.54 - NaOH 5.044e-17 6.350e-17 -16.297 -16.197 0.100 (0) -O(0) 1.890e-17 - O2 9.448e-18 1.189e-17 -17.025 -16.925 0.100 34.83 +O(0) 1.005e-37 + O2 5.026e-38 6.328e-38 -37.299 -37.199 0.100 34.83 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(398 K, 2 atm) - H2(g) -22.61 -25.66 -3.05 H2 + H2(g) -12.47 -15.52 -3.05 H2 H2O(g) 0.34 -0.02 -0.35 H2O Halite -2.08 -0.45 1.63 NaCl - O2(g) -13.83 -16.92 -3.09 O2 + O2(g) -34.11 -37.20 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -35980,7 +35530,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 5.881 Charge balance - pe = 4.742 Adjusted to redox equilibrium + pe = 5.214 Adjusted to redox equilibrium Specific Conductance (µS/cm, 125°C) = 418814 Density (g/cm³) = 1.01272 Volume (L) = 1.10286 @@ -35988,10 +35538,10 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.961e-16 + Total alkalinity (eq/kg) = 3.175e-16 Temperature (°C) = 125.00 Pressure (atm) = 2.13 - Electrical balance (eq) = -7.062e-14 + Electrical balance (eq) = -7.018e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -36008,22 +35558,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.021e+00 0.301 0.009 -0.292 17.24 HCl 3.508e-08 2.491e-07 -7.455 -6.604 0.851 (0) -H(0) 2.408e-25 - H2 1.204e-25 1.908e-25 -24.919 -24.719 0.200 28.56 +H(0) 2.731e-26 + H2 1.366e-26 2.164e-26 -25.865 -25.665 0.200 28.56 Na 2.000e+00 Na+ 2.000e+00 1.456e+00 0.301 0.163 -0.138 1.72 - NaOH 8.388e-17 1.329e-16 -16.076 -15.876 0.200 (0) -O(0) 1.839e-19 - O2 9.195e-20 1.457e-19 -19.036 -18.836 0.200 34.83 +O(0) 1.430e-17 + O2 7.149e-18 1.133e-17 -17.146 -16.946 0.200 34.83 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(398 K, 2 atm) - H2(g) -21.67 -24.72 -3.05 H2 + H2(g) -22.62 -25.66 -3.05 H2 H2O(g) 0.32 -0.03 -0.35 H2O Halite -1.46 0.17 1.63 NaCl - O2(g) -15.74 -18.84 -3.09 O2 + O2(g) -13.85 -16.95 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -36059,7 +35608,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 5.879 Charge balance - pe = 5.741 Adjusted to redox equilibrium + pe = 5.350 Adjusted to redox equilibrium Specific Conductance (µS/cm, 125°C) = 487684 Density (g/cm³) = 1.02943 Volume (L) = 1.11334 @@ -36067,12 +35616,12 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.128e-13 + Total alkalinity (eq/kg) = 1.673e-16 Temperature (°C) = 125.00 Pressure (atm) = 2.10 - Electrical balance (eq) = -6.906e-11 + Electrical balance (eq) = -1.182e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 5 + Iterations = 6 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -36087,22 +35636,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.264e+00 0.398 0.102 -0.296 17.59 HCl 2.672e-08 3.097e-07 -7.573 -6.509 1.064 (0) -H(0) 2.169e-27 - H2 1.085e-27 1.929e-27 -26.965 -26.715 0.250 28.56 +H(0) 1.313e-26 + H2 6.566e-27 1.168e-26 -26.183 -25.933 0.250 28.56 Na 2.500e+00 Na+ 2.500e+00 1.950e+00 0.398 0.290 -0.108 1.78 - NaOH 9.785e-17 1.740e-16 -16.009 -15.759 0.250 (0) -O(0) 1.547e-15 - O2 7.733e-16 1.375e-15 -15.112 -14.862 0.250 34.83 +O(0) 4.220e-17 + O2 2.110e-17 3.752e-17 -16.676 -16.426 0.250 34.83 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(398 K, 2 atm) - H2(g) -23.67 -26.71 -3.05 H2 + H2(g) -22.88 -25.93 -3.05 H2 H2O(g) 0.31 -0.04 -0.35 H2O Halite -1.24 0.39 1.63 NaCl - O2(g) -11.77 -14.86 -3.09 O2 + O2(g) -13.33 -16.43 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -36138,20 +35686,20 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 5.878 Charge balance - pe = -0.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 600354 + pe = 5.798 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 125°C) = 600353 Density (g/cm³) = 1.06235 Volume (L) = 1.13576 Viscosity (mPa s) = 0.33798 Activity of water = 0.880 Ionic strength (mol/kgw) = 3.535e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.239e-16 + Total alkalinity (eq/kg) = 1.306e-12 Temperature (°C) = 125.00 Pressure (atm) = 2.02 - Electrical balance (eq) = -3.406e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 2.983e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 5 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -36166,22 +35714,21 @@ Reaction 1. Cl 3.535e+00 Cl- 3.535e+00 1.781e+00 0.548 0.251 -0.298 18.18 HCl 1.368e-08 4.369e-07 -7.864 -6.360 1.504 (0) -H(0) 1.316e-15 - H2 6.580e-16 1.485e-15 -15.182 -14.828 0.353 28.56 +H(0) 1.320e-27 + H2 6.602e-28 1.490e-27 -27.180 -26.827 0.353 28.56 Na 3.535e+00 Na+ 3.535e+00 3.229e+00 0.548 0.509 -0.039 1.86 - NaOH 1.226e-16 2.767e-16 -15.911 -15.558 0.353 (0) -O(0) 1.902e-39 - O2 9.509e-40 2.146e-39 -39.022 -38.668 0.353 34.83 +O(0) 1.889e-15 + O2 9.444e-16 2.131e-15 -15.025 -14.671 0.353 34.83 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(398 K, 2 atm) - H2(g) -11.78 -14.83 -3.05 H2 + H2(g) -23.78 -26.83 -3.05 H2 H2O(g) 0.30 -0.06 -0.35 H2O Halite -0.87 0.76 1.63 NaCl - O2(g) -35.58 -38.67 -3.09 O2 + O2(g) -11.58 -14.67 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/Vm_NaCl_sol_101.sel b/mytest/Vm_NaCl_sol_101.sel index 321e90ebe..62c4753d5 100644 --- a/mytest/Vm_NaCl_sol_101.sel +++ b/mytest/Vm_NaCl_sol_101.sel @@ -1,461 +1,461 @@ Mu SC 0.000000100644 0.0547821292 0.000000043183 0.0164557980 - 0.068450052120 4588.1163438521 - 0.093400053106 6150.6290943616 - 0.094850053156 6240.3679376910 - 0.100000053328 6558.2346029414 - 0.124260054049 8038.9141451467 - 0.161465054939 10263.5497473461 - 0.166300055040 10549.0561326382 - 0.198490055651 12431.1812779237 - 0.200000055677 12518.7144828335 - 0.257240056553 15792.2210617139 - 0.320000057316 19292.7834371842 - 0.333120057456 20014.1240927371 - 0.356409057693 21286.2564234188 - 0.475759058701 27652.5304204248 - 0.483190058755 28041.0174252785 - 0.500000058875 28916.6103133174 - 0.501200058883 28978.9461210604 - 0.501900058888 29015.2983206282 - 0.507860058929 29324.5030945897 - 0.655630059823 36822.0841117250 - 0.684443059974 38247.9016712091 - 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344502.3342494660 + 5.951800339135 346402.7293362232 + 6.000000339147 346964.6083841264 + 6.100000339163 348068.3203468670 + 0.000000354775 0.2906196947 + 0.100000451422 19513.2634463778 + 0.216680479090 39748.3959721948 + 0.256170485518 46269.5761971884 + 0.349370497801 61162.6079209969 + 0.518980514180 86795.4264066388 + 0.527510514873 88040.8340162271 + 0.625830522241 102123.0962793813 + 0.779010531969 123131.5724004874 + 0.875250537290 135795.0326555312 + 1.000000543511 151635.6439794888 + 1.103670548210 164330.2405290414 + 1.225410553279 178718.5941389596 + 1.556330564855 215170.4898863538 + 1.609170566540 220649.2173157646 + 2.000000577822 258450.9003759035 + 2.232540583342 278794.3841070997 + 2.500000588913 300351.1934115614 + 2.547010589815 303945.3249262843 + 3.035630598000 338067.3997362888 + 3.989210609037 389549.8429079261 + 4.266790611311 401278.1215051785 + 4.565810613384 412470.5457318811 + 5.557430617962 440238.5483605151 + 5.715770618417 443504.8788902134 + 5.913880618896 447192.3318101284 + 0.000000693037 0.6737088739 + 0.100000897780 26080.1497128499 + 0.200000951125 49276.6103631097 + 0.256170971713 61653.5154074399 + 0.265680974815 63711.5686830684 + 0.320000990632 75280.7010180693 + 0.500001030887 111686.5241200871 + 0.539801038019 119389.3233049538 + 0.798011075452 166785.8772406356 + 0.800001075697 167135.1393702910 + 1.075511105391 213368.7218819510 + 1.079511105812 214010.3645700611 + 1.200001116734 232963.9924624563 + 1.672671148063 300808.1360506181 + 1.950001168235 336217.4210085783 + 2.260601183928 372390.7002162086 + 2.878851208656 434537.0210356901 + 3.531011227796 487646.7570300095 + 4.092221240076 524578.5779080339 + 4.161051241364 528607.1775347610 + 0.000001137128 1.2246303646 + 0.706901807875 183745.2711772186 + 1.000001870288 245529.5415279972 + 2.000002000481 418814.0431425553 + 2.500002041944 487684.3756863159 + 3.534502101362 600353.9886615787 diff --git a/mytest/Vm_NaHCO3_sol.out b/mytest/Vm_NaHCO3_sol.out index 3fc0b9637..81869fffa 100644 --- a/mytest/Vm_NaHCO3_sol.out +++ b/mytest/Vm_NaHCO3_sol.out @@ -231,7 +231,7 @@ Reaction 1. Specific Conductance (µS/cm, 0°C) = 194 Density (g/cm³) = 1.00013 Volume (L) = 1.00024 - Viscosity (mPa s) = 1.79587 + Viscosity (mPa s) = 1.79592 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.384e-03 Mass of water (kg) = 1.000e+00 @@ -313,7 +313,7 @@ Reaction 1. Specific Conductance (µS/cm, 0°C) = 717 Density (g/cm³) = 1.00094 Volume (L) = 1.00046 - Viscosity (mPa s) = 1.80577 + Viscosity (mPa s) = 1.80600 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.690e-02 Mass of water (kg) = 1.000e+00 @@ -395,7 +395,7 @@ Reaction 1. Specific Conductance (µS/cm, 0°C) = 1447 Density (g/cm³) = 1.00214 Volume (L) = 1.00079 - Viscosity (mPa s) = 1.81967 + Viscosity (mPa s) = 1.82020 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.537e-02 Mass of water (kg) = 1.000e+00 @@ -474,10 +474,10 @@ Reaction 1. pH = 8.373 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 2412 + Specific Conductance (µS/cm, 0°C) = 2411 Density (g/cm³) = 1.00379 Volume (L) = 1.00127 - Viscosity (mPa s) = 1.83839 + Viscosity (mPa s) = 1.83941 Activity of water = 0.998 Ionic strength (mol/kgw) = 6.114e-02 Mass of water (kg) = 1.000e+00 @@ -556,10 +556,10 @@ Reaction 1. pH = 8.321 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 3820 + Specific Conductance (µS/cm, 0°C) = 3817 Density (g/cm³) = 1.00632 Volume (L) = 1.00202 - Viscosity (mPa s) = 1.86645 + Viscosity (mPa s) = 1.86828 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.010e-01 Mass of water (kg) = 1.000e+00 @@ -638,10 +638,10 @@ Reaction 1. pH = 8.288 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 4969 + Specific Conductance (µS/cm, 0°C) = 4963 Density (g/cm³) = 1.00849 Volume (L) = 1.00269 - Viscosity (mPa s) = 1.88999 + Viscosity (mPa s) = 1.89254 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.354e-01 Mass of water (kg) = 1.000e+00 @@ -720,10 +720,10 @@ Reaction 1. pH = 8.247 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 6679 + Specific Conductance (µS/cm, 0°C) = 6666 Density (g/cm³) = 1.01186 Volume (L) = 1.00376 - Viscosity (mPa s) = 1.92601 + Viscosity (mPa s) = 1.92975 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.896e-01 Mass of water (kg) = 1.000e+00 @@ -802,10 +802,10 @@ Reaction 1. pH = 8.202 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 8937 + Specific Conductance (µS/cm, 0°C) = 8912 Density (g/cm³) = 1.01660 Volume (L) = 1.00533 - Viscosity (mPa s) = 1.97540 + Viscosity (mPa s) = 1.98088 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.665e-01 Mass of water (kg) = 1.000e+00 @@ -884,10 +884,10 @@ Reaction 1. pH = 8.155 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 11692 + Specific Conductance (µS/cm, 0°C) = 11646 Density (g/cm³) = 1.02279 Volume (L) = 1.00749 - Viscosity (mPa s) = 2.03832 + Viscosity (mPa s) = 2.04618 Activity of water = 0.989 Ionic strength (mol/kgw) = 3.688e-01 Mass of water (kg) = 1.000e+00 @@ -966,10 +966,10 @@ Reaction 1. pH = 8.112 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 14538 + Specific Conductance (µS/cm, 0°C) = 14464 Density (g/cm³) = 1.02968 Volume (L) = 1.01004 - Viscosity (mPa s) = 2.10634 + Viscosity (mPa s) = 2.11699 Activity of water = 0.986 Ionic strength (mol/kgw) = 4.847e-01 Mass of water (kg) = 1.000e+00 @@ -1048,10 +1048,10 @@ Reaction 1. pH = 8.072 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 17270 + Specific Conductance (µS/cm, 0°C) = 17160 Density (g/cm³) = 1.03678 Volume (L) = 1.01280 - Viscosity (mPa s) = 2.17436 + Viscosity (mPa s) = 2.18802 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.064e-01 Mass of water (kg) = 1.000e+00 @@ -1130,10 +1130,10 @@ Reaction 1. pH = 8.028 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 20391 + Specific Conductance (µS/cm, 0°C) = 20231 Density (g/cm³) = 1.04550 Volume (L) = 1.01639 - Viscosity (mPa s) = 2.25523 + Viscosity (mPa s) = 2.27278 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.589e-01 Mass of water (kg) = 1.000e+00 @@ -1319,10 +1319,10 @@ Reaction 1. pH = 8.319 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 2480 + Specific Conductance (µS/cm, 5°C) = 2479 Density (g/cm³) = 1.00329 Volume (L) = 1.00106 - Viscosity (mPa s) = 1.55087 + Viscosity (mPa s) = 1.55159 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.259e-02 Mass of water (kg) = 1.000e+00 @@ -1401,10 +1401,10 @@ Reaction 1. pH = 8.176 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 8011 + Specific Conductance (µS/cm, 5°C) = 7994 Density (g/cm³) = 1.01188 Volume (L) = 1.00397 - Viscosity (mPa s) = 1.62859 + Viscosity (mPa s) = 1.63178 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.925e-01 Mass of water (kg) = 1.000e+00 @@ -1483,10 +1483,10 @@ Reaction 1. pH = 8.118 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 11644 + Specific Conductance (µS/cm, 5°C) = 11607 Density (g/cm³) = 1.01825 Volume (L) = 1.00630 - Viscosity (mPa s) = 1.68389 + Viscosity (mPa s) = 1.68908 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.986e-01 Mass of water (kg) = 1.000e+00 @@ -1565,10 +1565,10 @@ Reaction 1. pH = 8.073 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 14897 + Specific Conductance (µS/cm, 5°C) = 14834 Density (g/cm³) = 1.02442 Volume (L) = 1.00868 - Viscosity (mPa s) = 1.73621 + Viscosity (mPa s) = 1.74344 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.035e-01 Mass of water (kg) = 1.000e+00 @@ -1647,10 +1647,10 @@ Reaction 1. pH = 8.004 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 20468 + Specific Conductance (µS/cm, 5°C) = 20339 Density (g/cm³) = 1.03609 Volume (L) = 1.01348 - Viscosity (mPa s) = 1.83192 + Viscosity (mPa s) = 1.84324 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.064e-01 Mass of water (kg) = 1.000e+00 @@ -1729,10 +1729,10 @@ Reaction 1. pH = 7.972 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 23150 + Specific Conductance (µS/cm, 5°C) = 22980 Density (g/cm³) = 1.04222 Volume (L) = 1.01616 - Viscosity (mPa s) = 1.88075 + Viscosity (mPa s) = 1.89433 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.155e-01 Mass of water (kg) = 1.000e+00 @@ -1811,10 +1811,10 @@ Reaction 1. pH = 7.945 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 25377 + Specific Conductance (µS/cm, 5°C) = 25169 Density (g/cm³) = 1.04758 Volume (L) = 1.01859 - Viscosity (mPa s) = 1.92266 + Viscosity (mPa s) = 1.93830 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.124e-01 Mass of water (kg) = 1.000e+00 @@ -1893,10 +1893,10 @@ Reaction 1. pH = 7.919 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 27569 + Specific Conductance (µS/cm, 5°C) = 27317 Density (g/cm³) = 1.05310 Volume (L) = 1.02118 - Viscosity (mPa s) = 1.96506 + Viscosity (mPa s) = 1.98288 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.136e-01 Mass of water (kg) = 1.000e+00 @@ -1975,10 +1975,10 @@ Reaction 1. pH = 7.893 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 29705 + Specific Conductance (µS/cm, 5°C) = 29406 Density (g/cm³) = 1.05873 Volume (L) = 1.02390 - Viscosity (mPa s) = 2.00749 + Viscosity (mPa s) = 2.02761 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.018e+00 Mass of water (kg) = 1.000e+00 @@ -2057,10 +2057,10 @@ Reaction 1. pH = 7.893 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 5°C) = 29706 + Specific Conductance (µS/cm, 5°C) = 29407 Density (g/cm³) = 1.05873 Volume (L) = 1.02390 - Viscosity (mPa s) = 2.00750 + Viscosity (mPa s) = 2.02762 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.018e+00 Mass of water (kg) = 1.000e+00 @@ -2246,10 +2246,10 @@ Reaction 1. pH = 8.201 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 3515 + Specific Conductance (µS/cm, 15°C) = 3513 Density (g/cm³) = 1.00251 Volume (L) = 1.00213 - Viscosity (mPa s) = 1.16151 + Viscosity (mPa s) = 1.16208 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.609e-02 Mass of water (kg) = 1.000e+00 @@ -2328,10 +2328,10 @@ Reaction 1. pH = 8.119 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 7167 + Specific Conductance (µS/cm, 15°C) = 7159 Density (g/cm³) = 1.00646 Volume (L) = 1.00362 - Viscosity (mPa s) = 1.18741 + Viscosity (mPa s) = 1.18881 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.222e-01 Mass of water (kg) = 1.000e+00 @@ -2410,10 +2410,10 @@ Reaction 1. pH = 8.034 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 13128 + Specific Conductance (µS/cm, 15°C) = 13095 Density (g/cm³) = 1.01356 Volume (L) = 1.00645 - Viscosity (mPa s) = 1.23278 + Viscosity (mPa s) = 1.23579 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.434e-01 Mass of water (kg) = 1.000e+00 @@ -2492,10 +2492,10 @@ Reaction 1. pH = 7.995 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 16668 + Specific Conductance (µS/cm, 15°C) = 16612 Density (g/cm³) = 1.01815 Volume (L) = 1.00838 - Viscosity (mPa s) = 1.26152 + Viscosity (mPa s) = 1.26562 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.231e-01 Mass of water (kg) = 1.000e+00 @@ -2574,10 +2574,10 @@ Reaction 1. pH = 7.939 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 22381 + Specific Conductance (µS/cm, 15°C) = 22274 Density (g/cm³) = 1.02616 Volume (L) = 1.01189 - Viscosity (mPa s) = 1.31080 + Viscosity (mPa s) = 1.31688 Activity of water = 0.986 Ionic strength (mol/kgw) = 4.647e-01 Mass of water (kg) = 1.000e+00 @@ -2656,10 +2656,10 @@ Reaction 1. pH = 7.890 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 27786 + Specific Conductance (µS/cm, 15°C) = 27613 Density (g/cm³) = 1.03447 Volume (L) = 1.01573 - Viscosity (mPa s) = 1.36084 + Viscosity (mPa s) = 1.36908 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.147e-01 Mass of water (kg) = 1.000e+00 @@ -2738,10 +2738,10 @@ Reaction 1. pH = 7.855 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 31797 + Specific Conductance (µS/cm, 15°C) = 31564 Density (g/cm³) = 1.04112 Volume (L) = 1.01894 - Viscosity (mPa s) = 1.40024 + Viscosity (mPa s) = 1.41028 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.373e-01 Mass of water (kg) = 1.000e+00 @@ -2820,10 +2820,10 @@ Reaction 1. pH = 7.811 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 36692 + Specific Conductance (µS/cm, 15°C) = 36371 Density (g/cm³) = 1.04986 Volume (L) = 1.02335 - Viscosity (mPa s) = 1.45104 + Viscosity (mPa s) = 1.46354 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.012e-01 Mass of water (kg) = 1.000e+00 @@ -2902,10 +2902,10 @@ Reaction 1. pH = 7.781 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 40123 + Specific Conductance (µS/cm, 15°C) = 39730 Density (g/cm³) = 1.05641 Volume (L) = 1.02680 - Viscosity (mPa s) = 1.48851 + Viscosity (mPa s) = 1.50291 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.026e+00 Mass of water (kg) = 1.000e+00 @@ -3091,10 +3091,10 @@ Reaction 1. pH = 8.005 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 13362 + Specific Conductance (µS/cm, 20°C) = 13333 Density (g/cm³) = 1.01078 Volume (L) = 1.00682 - Viscosity (mPa s) = 1.07328 + Viscosity (mPa s) = 1.07554 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.141e-01 Mass of water (kg) = 1.000e+00 @@ -3173,10 +3173,10 @@ Reaction 1. pH = 8.005 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 13362 + Specific Conductance (µS/cm, 20°C) = 13333 Density (g/cm³) = 1.01078 Volume (L) = 1.00682 - Viscosity (mPa s) = 1.07328 + Viscosity (mPa s) = 1.07554 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.141e-01 Mass of water (kg) = 1.000e+00 @@ -3255,10 +3255,10 @@ Reaction 1. pH = 7.951 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 18780 + Specific Conductance (µS/cm, 20°C) = 18719 Density (g/cm³) = 1.01679 Volume (L) = 1.00943 - Viscosity (mPa s) = 1.10587 + Viscosity (mPa s) = 1.10938 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.195e-01 Mass of water (kg) = 1.000e+00 @@ -3337,10 +3337,10 @@ Reaction 1. pH = 7.907 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 23837 + Specific Conductance (µS/cm, 20°C) = 23733 Density (g/cm³) = 1.02285 Volume (L) = 1.01217 - Viscosity (mPa s) = 1.13823 + Viscosity (mPa s) = 1.14304 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.277e-01 Mass of water (kg) = 1.000e+00 @@ -3419,10 +3419,10 @@ Reaction 1. pH = 7.837 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 32709 + Specific Conductance (µS/cm, 20°C) = 32501 Density (g/cm³) = 1.03461 Volume (L) = 1.01780 - Viscosity (mPa s) = 1.19984 + Viscosity (mPa s) = 1.20730 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.425e-01 Mass of water (kg) = 1.000e+00 @@ -3501,10 +3501,10 @@ Reaction 1. pH = 7.778 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 40375 + Specific Conductance (µS/cm, 20°C) = 40042 Density (g/cm³) = 1.04605 Volume (L) = 1.02365 - Viscosity (mPa s) = 1.25840 + Viscosity (mPa s) = 1.26859 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.577e-01 Mass of water (kg) = 1.000e+00 @@ -3583,10 +3583,10 @@ Reaction 1. pH = 7.778 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 40375 + Specific Conductance (µS/cm, 20°C) = 40042 Density (g/cm³) = 1.04605 Volume (L) = 1.02365 - Viscosity (mPa s) = 1.25840 + Viscosity (mPa s) = 1.26859 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.577e-01 Mass of water (kg) = 1.000e+00 @@ -3665,10 +3665,10 @@ Reaction 1. pH = 7.722 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 47634 + Specific Conductance (µS/cm, 20°C) = 47149 Density (g/cm³) = 1.05811 Volume (L) = 1.03021 - Viscosity (mPa s) = 1.31882 + Viscosity (mPa s) = 1.33205 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.091e+00 Mass of water (kg) = 1.000e+00 @@ -3747,10 +3747,10 @@ Reaction 1. pH = 7.716 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 48373 + Specific Conductance (µS/cm, 20°C) = 47871 Density (g/cm³) = 1.05942 Volume (L) = 1.03094 - Viscosity (mPa s) = 1.32527 + Viscosity (mPa s) = 1.33883 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.117e+00 Mass of water (kg) = 1.000e+00 @@ -3939,7 +3939,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 0.99722 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89128 + Viscosity (mPa s) = 0.89129 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.011e-03 Mass of water (kg) = 1.000e+00 @@ -4021,7 +4021,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 420 Density (g/cm³) = 0.99733 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89186 + Viscosity (mPa s) = 0.89189 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.731e-03 Mass of water (kg) = 1.000e+00 @@ -4103,7 +4103,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 718 Density (g/cm³) = 0.99754 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89300 + Viscosity (mPa s) = 0.89305 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.204e-03 Mass of water (kg) = 1.000e+00 @@ -4185,7 +4185,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 1221 Density (g/cm³) = 0.99790 Volume (L) = 1.00329 - Viscosity (mPa s) = 0.89491 + Viscosity (mPa s) = 0.89500 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.422e-02 Mass of water (kg) = 1.000e+00 @@ -4267,7 +4267,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 1524 Density (g/cm³) = 0.99812 Volume (L) = 1.00338 - Viscosity (mPa s) = 0.89605 + Viscosity (mPa s) = 0.89617 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.791e-02 Mass of water (kg) = 1.000e+00 @@ -4349,7 +4349,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 1970 Density (g/cm³) = 0.99844 Volume (L) = 1.00351 - Viscosity (mPa s) = 0.89774 + Viscosity (mPa s) = 0.89790 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.344e-02 Mass of water (kg) = 1.000e+00 @@ -4428,10 +4428,10 @@ Reaction 1. pH = 8.157 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2915 + Specific Conductance (µS/cm, 25°C) = 2914 Density (g/cm³) = 0.99915 Volume (L) = 1.00379 - Viscosity (mPa s) = 0.90134 + Viscosity (mPa s) = 0.90160 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.544e-02 Mass of water (kg) = 1.000e+00 @@ -4510,10 +4510,10 @@ Reaction 1. pH = 8.152 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3067 + Specific Conductance (µS/cm, 25°C) = 3066 Density (g/cm³) = 0.99927 Volume (L) = 1.00383 - Viscosity (mPa s) = 0.90192 + Viscosity (mPa s) = 0.90220 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.740e-02 Mass of water (kg) = 1.000e+00 @@ -4592,10 +4592,10 @@ Reaction 1. pH = 8.144 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3367 + Specific Conductance (µS/cm, 25°C) = 3366 Density (g/cm³) = 0.99950 Volume (L) = 1.00392 - Viscosity (mPa s) = 0.90308 + Viscosity (mPa s) = 0.90339 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.130e-02 Mass of water (kg) = 1.000e+00 @@ -4674,10 +4674,10 @@ Reaction 1. pH = 8.120 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 4288 + Specific Conductance (µS/cm, 25°C) = 4286 Density (g/cm³) = 1.00022 Volume (L) = 1.00421 - Viscosity (mPa s) = 0.90665 + Viscosity (mPa s) = 0.90707 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.348e-02 Mass of water (kg) = 1.000e+00 @@ -4756,10 +4756,10 @@ Reaction 1. pH = 8.101 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 5165 + Specific Conductance (µS/cm, 25°C) = 5162 Density (g/cm³) = 1.00091 Volume (L) = 1.00449 - Viscosity (mPa s) = 0.91009 + Viscosity (mPa s) = 0.91062 Activity of water = 0.998 Ionic strength (mol/kgw) = 6.533e-02 Mass of water (kg) = 1.000e+00 @@ -4838,10 +4838,10 @@ Reaction 1. pH = 8.072 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6725 + Specific Conductance (µS/cm, 25°C) = 6719 Density (g/cm³) = 1.00217 Volume (L) = 1.00501 - Viscosity (mPa s) = 0.91631 + Viscosity (mPa s) = 0.91704 Activity of water = 0.997 Ionic strength (mol/kgw) = 8.701e-02 Mass of water (kg) = 1.000e+00 @@ -4920,10 +4920,10 @@ Reaction 1. pH = 8.055 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7768 + Specific Conductance (µS/cm, 25°C) = 7761 Density (g/cm³) = 1.00304 Volume (L) = 1.00537 - Viscosity (mPa s) = 0.92054 + Viscosity (mPa s) = 0.92141 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.019e-01 Mass of water (kg) = 1.000e+00 @@ -5002,10 +5002,10 @@ Reaction 1. pH = 8.055 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7768 + Specific Conductance (µS/cm, 25°C) = 7761 Density (g/cm³) = 1.00304 Volume (L) = 1.00537 - Viscosity (mPa s) = 0.92054 + Viscosity (mPa s) = 0.92141 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.019e-01 Mass of water (kg) = 1.000e+00 @@ -5084,10 +5084,10 @@ Reaction 1. pH = 8.028 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9636 + Specific Conductance (µS/cm, 25°C) = 9623 Density (g/cm³) = 1.00463 Volume (L) = 1.00603 - Viscosity (mPa s) = 0.92824 + Viscosity (mPa s) = 0.92938 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.294e-01 Mass of water (kg) = 1.000e+00 @@ -5166,10 +5166,10 @@ Reaction 1. pH = 7.988 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 12926 + Specific Conductance (µS/cm, 25°C) = 12902 Density (g/cm³) = 1.00753 Volume (L) = 1.00728 - Viscosity (mPa s) = 0.94223 + Viscosity (mPa s) = 0.94387 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.800e-01 Mass of water (kg) = 1.000e+00 @@ -5248,10 +5248,10 @@ Reaction 1. pH = 7.981 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13631 + Specific Conductance (µS/cm, 25°C) = 13604 Density (g/cm³) = 1.00818 Volume (L) = 1.00756 - Viscosity (mPa s) = 0.94530 + Viscosity (mPa s) = 0.94705 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.913e-01 Mass of water (kg) = 1.000e+00 @@ -5330,10 +5330,10 @@ Reaction 1. pH = 7.974 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 14296 + Specific Conductance (µS/cm, 25°C) = 14267 Density (g/cm³) = 1.00879 Volume (L) = 1.00782 - Viscosity (mPa s) = 0.94821 + Viscosity (mPa s) = 0.95008 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.020e-01 Mass of water (kg) = 1.000e+00 @@ -5412,10 +5412,10 @@ Reaction 1. pH = 7.974 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 14296 + Specific Conductance (µS/cm, 25°C) = 14267 Density (g/cm³) = 1.00879 Volume (L) = 1.00782 - Viscosity (mPa s) = 0.94821 + Viscosity (mPa s) = 0.95008 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.020e-01 Mass of water (kg) = 1.000e+00 @@ -5494,10 +5494,10 @@ Reaction 1. pH = 7.944 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 17430 + Specific Conductance (µS/cm, 25°C) = 17385 Density (g/cm³) = 1.01174 Volume (L) = 1.00913 - Viscosity (mPa s) = 0.96224 + Viscosity (mPa s) = 0.96464 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.541e-01 Mass of water (kg) = 1.000e+00 @@ -5576,10 +5576,10 @@ Reaction 1. pH = 7.936 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18318 + Specific Conductance (µS/cm, 25°C) = 18268 Density (g/cm³) = 1.01260 Volume (L) = 1.00952 - Viscosity (mPa s) = 0.96630 + Viscosity (mPa s) = 0.96886 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.694e-01 Mass of water (kg) = 1.000e+00 @@ -5658,10 +5658,10 @@ Reaction 1. pH = 7.933 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18633 + Specific Conductance (µS/cm, 25°C) = 18581 Density (g/cm³) = 1.01291 Volume (L) = 1.00965 - Viscosity (mPa s) = 0.96776 + Viscosity (mPa s) = 0.97037 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.749e-01 Mass of water (kg) = 1.000e+00 @@ -5740,10 +5740,10 @@ Reaction 1. pH = 7.919 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20310 + Specific Conductance (µS/cm, 25°C) = 20247 Density (g/cm³) = 1.01457 Volume (L) = 1.01041 - Viscosity (mPa s) = 0.97556 + Viscosity (mPa s) = 0.97848 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.044e-01 Mass of water (kg) = 1.000e+00 @@ -5822,10 +5822,10 @@ Reaction 1. pH = 7.919 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20310 + Specific Conductance (µS/cm, 25°C) = 20247 Density (g/cm³) = 1.01457 Volume (L) = 1.01041 - Viscosity (mPa s) = 0.97556 + Viscosity (mPa s) = 0.97848 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.044e-01 Mass of water (kg) = 1.000e+00 @@ -5904,10 +5904,10 @@ Reaction 1. pH = 7.910 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 21429 + Specific Conductance (µS/cm, 25°C) = 21358 Density (g/cm³) = 1.01570 Volume (L) = 1.01092 - Viscosity (mPa s) = 0.98085 + Viscosity (mPa s) = 0.98398 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.246e-01 Mass of water (kg) = 1.000e+00 @@ -5986,10 +5986,10 @@ Reaction 1. pH = 7.904 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 22109 + Specific Conductance (µS/cm, 25°C) = 22033 Density (g/cm³) = 1.01639 Volume (L) = 1.01124 - Viscosity (mPa s) = 0.98410 + Viscosity (mPa s) = 0.98735 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.370e-01 Mass of water (kg) = 1.000e+00 @@ -6068,10 +6068,10 @@ Reaction 1. pH = 7.886 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 24463 + Specific Conductance (µS/cm, 25°C) = 24369 Density (g/cm³) = 1.01884 Volume (L) = 1.01238 - Viscosity (mPa s) = 0.99551 + Viscosity (mPa s) = 0.99923 Activity of water = 0.989 Ionic strength (mol/kgw) = 3.811e-01 Mass of water (kg) = 1.000e+00 @@ -6150,10 +6150,10 @@ Reaction 1. pH = 7.876 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 25774 + Specific Conductance (µS/cm, 25°C) = 25668 Density (g/cm³) = 1.02023 Volume (L) = 1.01304 - Viscosity (mPa s) = 1.00199 + Viscosity (mPa s) = 1.00597 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.063e-01 Mass of water (kg) = 1.000e+00 @@ -6232,10 +6232,10 @@ Reaction 1. pH = 7.876 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 25774 + Specific Conductance (µS/cm, 25°C) = 25668 Density (g/cm³) = 1.02023 Volume (L) = 1.01304 - Viscosity (mPa s) = 1.00199 + Viscosity (mPa s) = 1.00597 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.063e-01 Mass of water (kg) = 1.000e+00 @@ -6314,10 +6314,10 @@ Reaction 1. pH = 7.860 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 28013 + Specific Conductance (µS/cm, 25°C) = 27886 Density (g/cm³) = 1.02267 Volume (L) = 1.01420 - Viscosity (mPa s) = 1.01328 + Viscosity (mPa s) = 1.01772 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.507e-01 Mass of water (kg) = 1.000e+00 @@ -6396,10 +6396,10 @@ Reaction 1. pH = 7.844 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30310 + Specific Conductance (µS/cm, 25°C) = 30159 Density (g/cm³) = 1.02524 Volume (L) = 1.01545 - Viscosity (mPa s) = 1.02513 + Viscosity (mPa s) = 1.03008 Activity of water = 0.985 Ionic strength (mol/kgw) = 4.978e-01 Mass of water (kg) = 1.000e+00 @@ -6478,10 +6478,10 @@ Reaction 1. pH = 7.830 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 32209 + Specific Conductance (µS/cm, 25°C) = 32037 Density (g/cm³) = 1.02743 Volume (L) = 1.01652 - Viscosity (mPa s) = 1.03515 + Viscosity (mPa s) = 1.04053 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.381e-01 Mass of water (kg) = 1.000e+00 @@ -6560,10 +6560,10 @@ Reaction 1. pH = 7.829 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 32426 + Specific Conductance (µS/cm, 25°C) = 32251 Density (g/cm³) = 1.02768 Volume (L) = 1.01665 - Viscosity (mPa s) = 1.03631 + Viscosity (mPa s) = 1.04174 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.428e-01 Mass of water (kg) = 1.000e+00 @@ -6642,10 +6642,10 @@ Reaction 1. pH = 7.807 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 35531 + Specific Conductance (µS/cm, 25°C) = 35317 Density (g/cm³) = 1.03138 Volume (L) = 1.01849 - Viscosity (mPa s) = 1.05317 + Viscosity (mPa s) = 1.05934 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.114e-01 Mass of water (kg) = 1.000e+00 @@ -6724,10 +6724,10 @@ Reaction 1. pH = 7.807 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 35531 + Specific Conductance (µS/cm, 25°C) = 35317 Density (g/cm³) = 1.03138 Volume (L) = 1.01849 - Viscosity (mPa s) = 1.05317 + Viscosity (mPa s) = 1.05934 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.114e-01 Mass of water (kg) = 1.000e+00 @@ -6806,10 +6806,10 @@ Reaction 1. pH = 7.796 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 37216 + Specific Conductance (µS/cm, 25°C) = 36979 Density (g/cm³) = 1.03344 Volume (L) = 1.01954 - Viscosity (mPa s) = 1.06256 + Viscosity (mPa s) = 1.06914 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.501e-01 Mass of water (kg) = 1.000e+00 @@ -6888,10 +6888,10 @@ Reaction 1. pH = 7.787 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 38497 + Specific Conductance (µS/cm, 25°C) = 38241 Density (g/cm³) = 1.03505 Volume (L) = 1.02037 - Viscosity (mPa s) = 1.06981 + Viscosity (mPa s) = 1.07671 Activity of water = 0.980 Ionic strength (mol/kgw) = 6.802e-01 Mass of water (kg) = 1.000e+00 @@ -6970,10 +6970,10 @@ Reaction 1. pH = 7.780 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 39609 + Specific Conductance (µS/cm, 25°C) = 39337 Density (g/cm³) = 1.03646 Volume (L) = 1.02110 - Viscosity (mPa s) = 1.07618 + Viscosity (mPa s) = 1.08338 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.068e-01 Mass of water (kg) = 1.000e+00 @@ -7052,10 +7052,10 @@ Reaction 1. pH = 7.780 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 39609 + Specific Conductance (µS/cm, 25°C) = 39337 Density (g/cm³) = 1.03646 Volume (L) = 1.02110 - Viscosity (mPa s) = 1.07618 + Viscosity (mPa s) = 1.08338 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.068e-01 Mass of water (kg) = 1.000e+00 @@ -7134,10 +7134,10 @@ Reaction 1. pH = 7.758 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 42881 + Specific Conductance (µS/cm, 25°C) = 42556 Density (g/cm³) = 1.04073 Volume (L) = 1.02334 - Viscosity (mPa s) = 1.09537 + Viscosity (mPa s) = 1.10346 Activity of water = 0.977 Ionic strength (mol/kgw) = 7.880e-01 Mass of water (kg) = 1.000e+00 @@ -7216,10 +7216,10 @@ Reaction 1. pH = 7.751 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 43906 + Specific Conductance (µS/cm, 25°C) = 43563 Density (g/cm³) = 1.04211 Volume (L) = 1.02407 - Viscosity (mPa s) = 1.10152 + Viscosity (mPa s) = 1.10990 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.143e-01 Mass of water (kg) = 1.000e+00 @@ -7298,10 +7298,10 @@ Reaction 1. pH = 7.751 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 43906 + Specific Conductance (µS/cm, 25°C) = 43563 Density (g/cm³) = 1.04211 Volume (L) = 1.02407 - Viscosity (mPa s) = 1.10152 + Viscosity (mPa s) = 1.10990 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.143e-01 Mass of water (kg) = 1.000e+00 @@ -7380,10 +7380,10 @@ Reaction 1. pH = 7.750 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 44127 + Specific Conductance (µS/cm, 25°C) = 43781 Density (g/cm³) = 1.04241 Volume (L) = 1.02423 - Viscosity (mPa s) = 1.10286 + Viscosity (mPa s) = 1.11130 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.201e-01 Mass of water (kg) = 1.000e+00 @@ -7462,10 +7462,10 @@ Reaction 1. pH = 7.749 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 44202 + Specific Conductance (µS/cm, 25°C) = 43854 Density (g/cm³) = 1.04251 Volume (L) = 1.02429 - Viscosity (mPa s) = 1.10331 + Viscosity (mPa s) = 1.11177 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.220e-01 Mass of water (kg) = 1.000e+00 @@ -7544,10 +7544,10 @@ Reaction 1. pH = 7.739 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 45636 + Specific Conductance (µS/cm, 25°C) = 45263 Density (g/cm³) = 1.04447 Volume (L) = 1.02534 - Viscosity (mPa s) = 1.11206 + Viscosity (mPa s) = 1.12094 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.597e-01 Mass of water (kg) = 1.000e+00 @@ -7626,10 +7626,10 @@ Reaction 1. pH = 7.726 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 47585 + Specific Conductance (µS/cm, 25°C) = 47176 Density (g/cm³) = 1.04720 Volume (L) = 1.02683 - Viscosity (mPa s) = 1.12417 + Viscosity (mPa s) = 1.13363 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.125e-01 Mass of water (kg) = 1.000e+00 @@ -7708,10 +7708,10 @@ Reaction 1. pH = 7.706 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 50575 + Specific Conductance (µS/cm, 25°C) = 50106 Density (g/cm³) = 1.05152 Volume (L) = 1.02923 - Viscosity (mPa s) = 1.14324 + Viscosity (mPa s) = 1.15364 Activity of water = 0.972 Ionic strength (mol/kgw) = 9.967e-01 Mass of water (kg) = 1.000e+00 @@ -7790,10 +7790,10 @@ Reaction 1. pH = 7.683 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 53851 + Specific Conductance (µS/cm, 25°C) = 53310 Density (g/cm³) = 1.05645 Volume (L) = 1.03202 - Viscosity (mPa s) = 1.16484 + Viscosity (mPa s) = 1.17634 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.094e+00 Mass of water (kg) = 1.000e+00 @@ -7872,10 +7872,10 @@ Reaction 1. pH = 7.681 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 54108 + Specific Conductance (µS/cm, 25°C) = 53561 Density (g/cm³) = 1.05685 Volume (L) = 1.03225 - Viscosity (mPa s) = 1.16657 + Viscosity (mPa s) = 1.17816 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.102e+00 Mass of water (kg) = 1.000e+00 @@ -7954,10 +7954,10 @@ Reaction 1. pH = 7.701 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 51238 + Specific Conductance (µS/cm, 25°C) = 50754 Density (g/cm³) = 1.05250 Volume (L) = 1.02978 - Viscosity (mPa s) = 1.14755 + Viscosity (mPa s) = 1.15816 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.016e+00 Mass of water (kg) = 1.000e+00 @@ -8036,10 +8036,10 @@ Reaction 1. pH = 8.055 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7741 + Specific Conductance (µS/cm, 25°C) = 7733 Density (g/cm³) = 1.00302 Volume (L) = 1.00536 - Viscosity (mPa s) = 0.92043 + Viscosity (mPa s) = 0.92129 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.015e-01 Mass of water (kg) = 1.000e+00 @@ -8118,10 +8118,10 @@ Reaction 1. pH = 7.973 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 14363 + Specific Conductance (µS/cm, 25°C) = 14334 Density (g/cm³) = 1.00885 Volume (L) = 1.00785 - Viscosity (mPa s) = 0.94851 + Viscosity (mPa s) = 0.95038 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.031e-01 Mass of water (kg) = 1.000e+00 @@ -8200,10 +8200,10 @@ Reaction 1. pH = 7.840 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30841 + Specific Conductance (µS/cm, 25°C) = 30684 Density (g/cm³) = 1.02585 Volume (L) = 1.01574 - Viscosity (mPa s) = 1.02791 + Viscosity (mPa s) = 1.03298 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.089e-01 Mass of water (kg) = 1.000e+00 @@ -8389,10 +8389,10 @@ Reaction 1. pH = 8.050 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 5797 + Specific Conductance (µS/cm, 35°C) = 5794 Density (g/cm³) = 0.99746 Volume (L) = 1.00744 - Viscosity (mPa s) = 0.73288 + Viscosity (mPa s) = 0.73325 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.907e-02 Mass of water (kg) = 1.000e+00 @@ -8471,10 +8471,10 @@ Reaction 1. pH = 7.976 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 11094 + Specific Conductance (µS/cm, 35°C) = 11081 Density (g/cm³) = 1.00093 Volume (L) = 1.00896 - Viscosity (mPa s) = 0.74588 + Viscosity (mPa s) = 0.74671 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.198e-01 Mass of water (kg) = 1.000e+00 @@ -8553,10 +8553,10 @@ Reaction 1. pH = 7.891 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 20498 + Specific Conductance (µS/cm, 35°C) = 20449 Density (g/cm³) = 1.00766 Volume (L) = 1.01204 - Viscosity (mPa s) = 0.77067 + Viscosity (mPa s) = 0.77243 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.398e-01 Mass of water (kg) = 1.000e+00 @@ -8635,10 +8635,10 @@ Reaction 1. pH = 7.853 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 25979 + Specific Conductance (µS/cm, 35°C) = 25897 Density (g/cm³) = 1.01190 Volume (L) = 1.01406 - Viscosity (mPa s) = 0.78611 + Viscosity (mPa s) = 0.78850 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.168e-01 Mass of water (kg) = 1.000e+00 @@ -8717,10 +8717,10 @@ Reaction 1. pH = 7.802 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 34408 + Specific Conductance (µS/cm, 35°C) = 34257 Density (g/cm³) = 1.01892 Volume (L) = 1.01752 - Viscosity (mPa s) = 0.81135 + Viscosity (mPa s) = 0.81479 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.457e-01 Mass of water (kg) = 1.000e+00 @@ -8799,10 +8799,10 @@ Reaction 1. pH = 7.747 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 44194 + Specific Conductance (µS/cm, 35°C) = 43932 Density (g/cm³) = 1.02784 Volume (L) = 1.02212 - Viscosity (mPa s) = 0.84308 + Viscosity (mPa s) = 0.84790 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.131e-01 Mass of water (kg) = 1.000e+00 @@ -8881,10 +8881,10 @@ Reaction 1. pH = 7.714 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 50483 + Specific Conductance (µS/cm, 35°C) = 50132 Density (g/cm³) = 1.03405 Volume (L) = 1.02545 - Viscosity (mPa s) = 0.86496 + Viscosity (mPa s) = 0.87077 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.319e-01 Mass of water (kg) = 1.000e+00 @@ -8963,10 +8963,10 @@ Reaction 1. pH = 7.671 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 58477 + Specific Conductance (µS/cm, 35°C) = 57993 Density (g/cm³) = 1.04255 Volume (L) = 1.03018 - Viscosity (mPa s) = 0.89460 + Viscosity (mPa s) = 0.90180 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.972e-01 Mass of water (kg) = 1.000e+00 @@ -9045,10 +9045,10 @@ Reaction 1. pH = 7.642 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 63988 + Specific Conductance (µS/cm, 35°C) = 63396 Density (g/cm³) = 1.04883 Volume (L) = 1.03380 - Viscosity (mPa s) = 0.91631 + Viscosity (mPa s) = 0.92457 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 @@ -9234,10 +9234,10 @@ Reaction 1. pH = 8.009 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 6981 + Specific Conductance (µS/cm, 45°C) = 6977 Density (g/cm³) = 0.99360 Volume (L) = 1.01137 - Viscosity (mPa s) = 0.60645 + Viscosity (mPa s) = 0.60675 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.930e-02 Mass of water (kg) = 1.000e+00 @@ -9316,10 +9316,10 @@ Reaction 1. pH = 7.937 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 13142 + Specific Conductance (µS/cm, 45°C) = 13127 Density (g/cm³) = 0.99691 Volume (L) = 1.01288 - Viscosity (mPa s) = 0.61615 + Viscosity (mPa s) = 0.61681 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.180e-01 Mass of water (kg) = 1.000e+00 @@ -9398,10 +9398,10 @@ Reaction 1. pH = 7.850 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 24747 + Specific Conductance (µS/cm, 45°C) = 24689 Density (g/cm³) = 1.00370 Volume (L) = 1.01610 - Viscosity (mPa s) = 0.63576 + Viscosity (mPa s) = 0.63719 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.407e-01 Mass of water (kg) = 1.000e+00 @@ -9480,10 +9480,10 @@ Reaction 1. pH = 7.849 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 24915 + Specific Conductance (µS/cm, 45°C) = 24856 Density (g/cm³) = 1.00380 Volume (L) = 1.01615 - Viscosity (mPa s) = 0.63605 + Viscosity (mPa s) = 0.63750 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.426e-01 Mass of water (kg) = 1.000e+00 @@ -9562,10 +9562,10 @@ Reaction 1. pH = 7.809 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 31963 + Specific Conductance (µS/cm, 45°C) = 31861 Density (g/cm³) = 1.00827 Volume (L) = 1.01836 - Viscosity (mPa s) = 0.64882 + Viscosity (mPa s) = 0.65080 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.248e-01 Mass of water (kg) = 1.000e+00 @@ -9644,10 +9644,10 @@ Reaction 1. pH = 7.762 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 41357 + Specific Conductance (µS/cm, 45°C) = 41179 Density (g/cm³) = 1.01465 Volume (L) = 1.02162 - Viscosity (mPa s) = 0.66689 + Viscosity (mPa s) = 0.66964 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.437e-01 Mass of water (kg) = 1.000e+00 @@ -9726,10 +9726,10 @@ Reaction 1. pH = 7.761 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 41496 + Specific Conductance (µS/cm, 45°C) = 41317 Density (g/cm³) = 1.01475 Volume (L) = 1.02167 - Viscosity (mPa s) = 0.66716 + Viscosity (mPa s) = 0.66992 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.455e-01 Mass of water (kg) = 1.000e+00 @@ -9808,10 +9808,10 @@ Reaction 1. pH = 7.708 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 53363 + Specific Conductance (µS/cm, 45°C) = 53054 Density (g/cm³) = 1.02353 Volume (L) = 1.02634 - Viscosity (mPa s) = 0.69183 + Viscosity (mPa s) = 0.69568 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.124e-01 Mass of water (kg) = 1.000e+00 @@ -9890,10 +9890,10 @@ Reaction 1. pH = 7.674 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 61107 + Specific Conductance (µS/cm, 45°C) = 60691 Density (g/cm³) = 1.02974 Volume (L) = 1.02977 - Viscosity (mPa s) = 0.70911 + Viscosity (mPa s) = 0.71375 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.323e-01 Mass of water (kg) = 1.000e+00 @@ -9972,10 +9972,10 @@ Reaction 1. pH = 7.633 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 70679 + Specific Conductance (µS/cm, 45°C) = 70107 Density (g/cm³) = 1.03797 Volume (L) = 1.03448 - Viscosity (mPa s) = 0.73188 + Viscosity (mPa s) = 0.73761 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.943e-01 Mass of water (kg) = 1.000e+00 @@ -10054,10 +10054,10 @@ Reaction 1. pH = 7.632 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 70923 + Specific Conductance (µS/cm, 45°C) = 70346 Density (g/cm³) = 1.03819 Volume (L) = 1.03461 - Viscosity (mPa s) = 0.73248 + Viscosity (mPa s) = 0.73824 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.986e-01 Mass of water (kg) = 1.000e+00 @@ -10136,10 +10136,10 @@ Reaction 1. pH = 7.604 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 77465 + Specific Conductance (µS/cm, 45°C) = 76765 Density (g/cm³) = 1.04422 Volume (L) = 1.03817 - Viscosity (mPa s) = 0.74906 + Viscosity (mPa s) = 0.75562 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.019e+00 Mass of water (kg) = 1.000e+00 @@ -10218,10 +10218,10 @@ Reaction 1. pH = 7.603 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 77518 + Specific Conductance (µS/cm, 45°C) = 76817 Density (g/cm³) = 1.04427 Volume (L) = 1.03820 - Viscosity (mPa s) = 0.74920 + Viscosity (mPa s) = 0.75576 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.020e+00 Mass of water (kg) = 1.000e+00 @@ -10408,10 +10408,10 @@ Reaction 1. pH = 7.916 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 17713 + Specific Conductance (µS/cm, 75°C) = 17697 Density (g/cm³) = 0.98135 Volume (L) = 1.02756 - Viscosity (mPa s) = 0.38694 + Viscosity (mPa s) = 0.38728 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.018e-01 Mass of water (kg) = 1.000e+00 @@ -10491,10 +10491,10 @@ Reaction 1. pH = 7.834 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 33160 + Specific Conductance (µS/cm, 75°C) = 33098 Density (g/cm³) = 0.98689 Volume (L) = 1.03031 - Viscosity (mPa s) = 0.39523 + Viscosity (mPa s) = 0.39593 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.039e-01 Mass of water (kg) = 1.000e+00 @@ -10574,10 +10574,10 @@ Reaction 1. pH = 7.738 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 60356 + Specific Conductance (µS/cm, 75°C) = 60129 Density (g/cm³) = 0.99771 Volume (L) = 1.03598 - Viscosity (mPa s) = 0.41125 + Viscosity (mPa s) = 0.41272 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.080e-01 Mass of water (kg) = 1.000e+00 @@ -10657,10 +10657,10 @@ Reaction 1. pH = 7.644 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 94728 + Specific Conductance (µS/cm, 75°C) = 94130 Density (g/cm³) = 1.01341 Volume (L) = 1.04479 - Viscosity (mPa s) = 0.43433 + Viscosity (mPa s) = 0.43693 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.138e-01 Mass of water (kg) = 1.000e+00 @@ -10848,10 +10848,10 @@ Reaction 1. pH = 7.967 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 23083 + Specific Conductance (µS/cm, 100°C) = 23063 Density (g/cm³) = 0.96491 Volume (L) = 1.04507 - Viscosity (mPa s) = 0.28751 + Viscosity (mPa s) = 0.28775 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.019e-01 Mass of water (kg) = 1.000e+00 @@ -10931,10 +10931,10 @@ Reaction 1. pH = 7.886 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 43396 + Specific Conductance (µS/cm, 100°C) = 43318 Density (g/cm³) = 0.97044 Volume (L) = 1.04778 - Viscosity (mPa s) = 0.29241 + Viscosity (mPa s) = 0.29291 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.041e-01 Mass of water (kg) = 1.000e+00 @@ -11014,10 +11014,10 @@ Reaction 1. pH = 7.790 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 79629 + Specific Conductance (µS/cm, 100°C) = 79342 Density (g/cm³) = 0.98123 Volume (L) = 1.05338 - Viscosity (mPa s) = 0.30196 + Viscosity (mPa s) = 0.30298 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.084e-01 Mass of water (kg) = 1.000e+00 @@ -11097,10 +11097,10 @@ Reaction 1. pH = 7.696 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 126288 + Specific Conductance (µS/cm, 100°C) = 125525 Density (g/cm³) = 0.99689 Volume (L) = 1.06211 - Viscosity (mPa s) = 0.31584 + Viscosity (mPa s) = 0.31764 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.144e-01 Mass of water (kg) = 1.000e+00 @@ -11288,10 +11288,10 @@ Reaction 1. pH = 8.061 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 28295 + Specific Conductance (µS/cm, 125°C) = 28271 Density (g/cm³) = 0.94566 Volume (L) = 1.06635 - Viscosity (mPa s) = 0.22562 + Viscosity (mPa s) = 0.22579 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.020e-01 Mass of water (kg) = 1.000e+00 @@ -11371,10 +11371,10 @@ Reaction 1. pH = 7.985 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 53465 + Specific Conductance (µS/cm, 125°C) = 53373 Density (g/cm³) = 0.95123 Volume (L) = 1.06894 - Viscosity (mPa s) = 0.22832 + Viscosity (mPa s) = 0.22868 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.042e-01 Mass of water (kg) = 1.000e+00 @@ -11454,10 +11454,10 @@ Reaction 1. pH = 7.889 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 99068 + Specific Conductance (µS/cm, 125°C) = 98728 Density (g/cm³) = 0.96209 Volume (L) = 1.07433 - Viscosity (mPa s) = 0.23370 + Viscosity (mPa s) = 0.23445 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.087e-01 Mass of water (kg) = 1.000e+00 @@ -11537,10 +11537,10 @@ Reaction 1. pH = 7.795 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 159127 + Specific Conductance (µS/cm, 125°C) = 158209 Density (g/cm³) = 0.97785 Volume (L) = 1.08279 - Viscosity (mPa s) = 0.24175 + Viscosity (mPa s) = 0.24305 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.149e-01 Mass of water (kg) = 1.000e+00 @@ -11728,10 +11728,10 @@ Reaction 1. pH = 8.177 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 33168 + Specific Conductance (µS/cm, 150°C) = 33140 Density (g/cm³) = 0.92372 Volume (L) = 1.09168 - Viscosity (mPa s) = 0.18395 + Viscosity (mPa s) = 0.18410 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.019e-01 Mass of water (kg) = 1.000e+00 @@ -11811,10 +11811,10 @@ Reaction 1. pH = 8.113 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 63149 + Specific Conductance (µS/cm, 150°C) = 63046 Density (g/cm³) = 0.92939 Volume (L) = 1.09405 - Viscosity (mPa s) = 0.18480 + Viscosity (mPa s) = 0.18508 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.043e-01 Mass of water (kg) = 1.000e+00 @@ -11894,10 +11894,10 @@ Reaction 1. pH = 8.020 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 118673 + Specific Conductance (µS/cm, 150°C) = 118287 Density (g/cm³) = 0.94044 Volume (L) = 1.09907 - Viscosity (mPa s) = 0.18684 + Viscosity (mPa s) = 0.18740 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.089e-01 Mass of water (kg) = 1.000e+00 @@ -11977,10 +11977,10 @@ Reaction 1. pH = 7.927 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 194021 + Specific Conductance (µS/cm, 150°C) = 192949 Density (g/cm³) = 0.95642 Volume (L) = 1.10705 - Viscosity (mPa s) = 0.19040 + Viscosity (mPa s) = 0.19136 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.153e-01 Mass of water (kg) = 1.000e+00 @@ -12168,10 +12168,10 @@ Reaction 1. pH = 8.300 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 37986 + Specific Conductance (µS/cm, 175°C) = 37955 Density (g/cm³) = 0.89904 Volume (L) = 1.12165 - Viscosity (mPa s) = 0.15259 + Viscosity (mPa s) = 0.15271 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.017e-01 Mass of water (kg) = 1.000e+00 @@ -12251,10 +12251,10 @@ Reaction 1. pH = 8.257 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 73608 + Specific Conductance (µS/cm, 175°C) = 73496 Density (g/cm³) = 0.90489 Volume (L) = 1.12368 - Viscosity (mPa s) = 0.15082 + Viscosity (mPa s) = 0.15103 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.041e-01 Mass of water (kg) = 1.000e+00 @@ -12334,10 +12334,10 @@ Reaction 1. pH = 8.173 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 142337 + Specific Conductance (µS/cm, 175°C) = 141905 Density (g/cm³) = 0.91624 Volume (L) = 1.12809 - Viscosity (mPa s) = 0.14873 + Viscosity (mPa s) = 0.14914 Activity of water = 0.989 Ionic strength (mol/kgw) = 4.090e-01 Mass of water (kg) = 1.000e+00 @@ -12417,10 +12417,10 @@ Reaction 1. pH = 8.081 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 240288 + Specific Conductance (µS/cm, 175°C) = 239012 Density (g/cm³) = 0.93262 Volume (L) = 1.13531 - Viscosity (mPa s) = 0.14756 + Viscosity (mPa s) = 0.14827 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.156e-01 Mass of water (kg) = 1.000e+00 @@ -12608,10 +12608,10 @@ Reaction 1. pH = 8.422 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 15126 + Specific Conductance (µS/cm, 200°C) = 15077 Density (g/cm³) = 0.87136 Volume (L) = 1.15727 - Viscosity (mPa s) = 0.36231 + Viscosity (mPa s) = 0.36359 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.015e-01 Mass of water (kg) = 1.000e+00 @@ -12691,10 +12691,10 @@ Reaction 1. pH = 8.405 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1029350 + Specific Conductance (µS/cm, 200°C) = 1067648 Density (g/cm³) = 0.87749 Volume (L) = 1.15876 - Viscosity (mPa s) = 0.01690 + Viscosity (mPa s) = 0.01645 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.039e-01 Mass of water (kg) = 1.000e+00 @@ -12774,10 +12774,10 @@ Reaction 1. pH = 8.335 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 382230 + Specific Conductance (µS/cm, 200°C) = 382643 Density (g/cm³) = 0.88934 Volume (L) = 1.16222 - Viscosity (mPa s) = 0.05954 + Viscosity (mPa s) = 0.05948 Activity of water = 0.989 Ionic strength (mol/kgw) = 4.088e-01 Mass of water (kg) = 1.000e+00 @@ -12857,10 +12857,10 @@ Reaction 1. pH = 8.248 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 555849 + Specific Conductance (µS/cm, 200°C) = 553520 Density (g/cm³) = 0.90634 Volume (L) = 1.16823 - Viscosity (mPa s) = 0.06729 + Viscosity (mPa s) = 0.06752 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.157e-01 Mass of water (kg) = 1.000e+00 @@ -13048,10 +13048,10 @@ Reaction 1. pH = 7.934 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 23076 + Specific Conductance (µS/cm, 100°C) = 23056 Density (g/cm³) = 0.96859 Volume (L) = 1.04109 - Viscosity (mPa s) = 0.28961 + Viscosity (mPa s) = 0.28985 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.018e-01 Mass of water (kg) = 1.000e+00 @@ -13131,10 +13131,10 @@ Reaction 1. pH = 7.855 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 43360 + Specific Conductance (µS/cm, 100°C) = 43281 Density (g/cm³) = 0.97406 Volume (L) = 1.04384 - Viscosity (mPa s) = 0.29441 + Viscosity (mPa s) = 0.29491 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.037e-01 Mass of water (kg) = 1.000e+00 @@ -13214,10 +13214,10 @@ Reaction 1. pH = 7.724 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 96239 + Specific Conductance (µS/cm, 100°C) = 95806 Density (g/cm³) = 0.99004 Volume (L) = 1.05247 - Viscosity (mPa s) = 0.30840 + Viscosity (mPa s) = 0.30970 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.103e-01 Mass of water (kg) = 1.000e+00 @@ -13297,10 +13297,10 @@ Reaction 1. pH = 7.597 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 166370 + Specific Conductance (µS/cm, 100°C) = 164992 Density (g/cm³) = 1.01526 Volume (L) = 1.06755 - Viscosity (mPa s) = 0.33047 + Viscosity (mPa s) = 0.33304 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.018e+00 Mass of water (kg) = 1.000e+00 @@ -13488,10 +13488,10 @@ Reaction 1. pH = 8.260 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 37733 + Specific Conductance (µS/cm, 175°C) = 37700 Density (g/cm³) = 0.90397 Volume (L) = 1.11551 - Viscosity (mPa s) = 0.15516 + Viscosity (mPa s) = 0.15529 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.016e-01 Mass of water (kg) = 1.000e+00 @@ -13571,10 +13571,10 @@ Reaction 1. pH = 8.217 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 72837 + Specific Conductance (µS/cm, 175°C) = 72721 Density (g/cm³) = 0.90974 Volume (L) = 1.11764 - Viscosity (mPa s) = 0.15375 + Viscosity (mPa s) = 0.15398 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.037e-01 Mass of water (kg) = 1.000e+00 @@ -13654,10 +13654,10 @@ Reaction 1. pH = 8.101 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 173216 + Specific Conductance (µS/cm, 175°C) = 172534 Density (g/cm³) = 0.92648 Volume (L) = 1.12468 - Viscosity (mPa s) = 0.15165 + Viscosity (mPa s) = 0.15219 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.110e-01 Mass of water (kg) = 1.000e+00 @@ -13737,10 +13737,10 @@ Reaction 1. pH = 7.978 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 325584 + Specific Conductance (µS/cm, 175°C) = 323117 Density (g/cm³) = 0.95270 Volume (L) = 1.13765 - Viscosity (mPa s) = 0.15152 + Viscosity (mPa s) = 0.15255 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.019e+00 Mass of water (kg) = 1.000e+00 @@ -13928,10 +13928,10 @@ Reaction 1. pH = 7.930 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7967 + Specific Conductance (µS/cm, 25°C) = 7959 Density (g/cm³) = 1.01514 Volume (L) = 0.99335 - Viscosity (mPa s) = 0.91662 + Viscosity (mPa s) = 0.91750 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.015e-01 Mass of water (kg) = 1.000e+00 @@ -14011,10 +14011,10 @@ Reaction 1. pH = 7.850 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 14796 + Specific Conductance (µS/cm, 25°C) = 14765 Density (g/cm³) = 1.02086 Volume (L) = 0.99599 - Viscosity (mPa s) = 0.94352 + Viscosity (mPa s) = 0.94542 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.030e-01 Mass of water (kg) = 1.000e+00 @@ -14094,10 +14094,10 @@ Reaction 1. pH = 7.722 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 31844 + Specific Conductance (µS/cm, 25°C) = 31679 Density (g/cm³) = 1.03753 Volume (L) = 1.00431 - Viscosity (mPa s) = 1.01935 + Viscosity (mPa s) = 1.02447 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.089e-01 Mass of water (kg) = 1.000e+00 @@ -14177,10 +14177,10 @@ Reaction 1. pH = 7.588 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 53061 + Specific Conductance (µS/cm, 25°C) = 52548 Density (g/cm³) = 1.06360 Volume (L) = 1.01903 - Viscosity (mPa s) = 1.13292 + Viscosity (mPa s) = 1.14364 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.016e+00 Mass of water (kg) = 1.000e+00 @@ -14368,10 +14368,10 @@ Reaction 1. pH = 7.864 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 23099 + Specific Conductance (µS/cm, 100°C) = 23078 Density (g/cm³) = 0.97659 Volume (L) = 1.03257 - Viscosity (mPa s) = 0.29427 + Viscosity (mPa s) = 0.29452 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.018e-01 Mass of water (kg) = 1.000e+00 @@ -14451,10 +14451,10 @@ Reaction 1. pH = 7.787 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 43432 + Specific Conductance (µS/cm, 100°C) = 43351 Density (g/cm³) = 0.98197 Volume (L) = 1.03543 - Viscosity (mPa s) = 0.29892 + Viscosity (mPa s) = 0.29944 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.036e-01 Mass of water (kg) = 1.000e+00 @@ -14534,10 +14534,10 @@ Reaction 1. pH = 7.660 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 96579 + Specific Conductance (µS/cm, 100°C) = 96134 Density (g/cm³) = 0.99772 Volume (L) = 1.04438 - Viscosity (mPa s) = 0.31238 + Viscosity (mPa s) = 0.31373 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.102e-01 Mass of water (kg) = 1.000e+00 @@ -14617,10 +14617,10 @@ Reaction 1. pH = 7.536 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 167457 + Specific Conductance (µS/cm, 100°C) = 166037 Density (g/cm³) = 1.02253 Volume (L) = 1.05996 - Viscosity (mPa s) = 0.33345 + Viscosity (mPa s) = 0.33610 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.017e+00 Mass of water (kg) = 1.000e+00 @@ -14808,10 +14808,10 @@ Reaction 1. pH = 8.177 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 37371 + Specific Conductance (µS/cm, 175°C) = 37336 Density (g/cm³) = 0.91458 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.16040 + Viscosity (mPa s) = 0.16054 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.016e-01 Mass of water (kg) = 1.000e+00 @@ -14891,10 +14891,10 @@ Reaction 1. pH = 8.138 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 71807 + Specific Conductance (µS/cm, 175°C) = 71683 Density (g/cm³) = 0.92023 Volume (L) = 1.10491 - Viscosity (mPa s) = 0.15957 + Viscosity (mPa s) = 0.15983 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.036e-01 Mass of water (kg) = 1.000e+00 @@ -14974,10 +14974,10 @@ Reaction 1. pH = 8.026 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 169249 + Specific Conductance (µS/cm, 175°C) = 168551 Density (g/cm³) = 0.93662 Volume (L) = 1.11251 - Viscosity (mPa s) = 0.15850 + Viscosity (mPa s) = 0.15909 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.108e-01 Mass of water (kg) = 1.000e+00 @@ -15057,10 +15057,10 @@ Reaction 1. pH = 7.908 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 316020 + Specific Conductance (µS/cm, 175°C) = 313560 Density (g/cm³) = 0.96231 Volume (L) = 1.12629 - Viscosity (mPa s) = 0.15902 + Viscosity (mPa s) = 0.16014 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.018e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/Vm_NaHCO3_sol_101.sel b/mytest/Vm_NaHCO3_sol_101.sel index 022e569aa..fc8da4cd8 100644 --- a/mytest/Vm_NaHCO3_sol_101.sel +++ b/mytest/Vm_NaHCO3_sol_101.sel @@ -1,179 +1,179 @@ Mu SC 0.000000100644 0.0547821166 0.000000033952 0.0114689826 - 0.004384232917 194.5418339601 - 0.016897027281 717.6612724667 - 0.035370648211 1447.6991014198 - 0.061138051064 2412.9454029817 - 0.101032297031 3820.9487675582 - 0.135443342553 4969.9396239216 - 0.189594004635 6679.3424505192 - 0.266519390798 8937.9456205473 - 0.368791165752 11692.2439960314 - 0.484745969286 14538.9766767136 - 0.606419667514 17270.0102164496 - 0.758929665501 20391.3347845759 + 0.004384232917 194.5360482444 + 0.016897027281 717.5672868168 + 0.035370648211 1447.2583561937 + 0.061138051064 2411.5691402766 + 0.101032297031 3817.1064991133 + 0.135443342553 4963.0372019091 + 0.189594004635 6666.0331869414 + 0.266519390798 8912.5712900478 + 0.368791165752 11646.2324330143 + 0.484745969286 14464.2671632376 + 0.606419667514 17160.1503134129 + 0.758929665501 20231.3525464683 0.000000043183 0.0164343314 - 0.052594830782 2480.2635730454 - 0.192499396514 8011.0299783466 - 0.298620942547 11644.0122873354 - 0.403479016651 14897.6861116311 - 0.606368025384 20468.4922902735 - 0.715536949605 23150.0944370129 - 0.812433174395 25377.7279124951 - 0.913610493465 27569.2781258380 - 1.018152049632 29705.4969857380 - 1.018192765814 29706.3055016914 + 0.052594830782 2479.0750680403 + 0.192499396514 7994.9193843037 + 0.298620942547 11607.2227472851 + 0.403479016651 14834.2771779195 + 0.606368025384 20339.9859665352 + 0.715536949605 22980.6501078813 + 0.812433174395 25169.1158610798 + 0.913610493465 27317.2812145839 + 1.018152049632 29406.3060397095 + 1.018192765814 29407.0957409291 0.000000067373 0.0312733044 - 0.056087183760 3515.3486847868 - 0.122151134037 7167.8801820785 - 0.243354061958 13128.7387142864 - 0.323095163478 16668.6012253106 - 0.464721775207 22381.5350638086 - 0.614737171887 27786.0423274621 - 0.737255265306 31797.0410680933 - 0.901162307596 36692.0859918010 - 1.026463490037 40123.4401980910 + 0.056087183760 3513.5549233512 + 0.122151134037 7159.1687671055 + 0.243354061958 13095.6746144368 + 0.323095163478 16612.7552358795 + 0.464721775207 22274.7840816458 + 0.614737171887 27613.8337412847 + 0.737255265306 31564.4920852309 + 0.901162307596 36371.2126370339 + 1.026463490037 39730.3122803904 0.000000082766 0.0417744594 - 0.214058622014 13362.4186199038 - 0.214058622014 13362.4186199038 - 0.319515244164 18780.9970912665 - 0.427664893852 23837.8038677386 - 0.642518324187 32709.8394060722 - 0.857728286729 40375.6246388935 - 0.857728286729 40375.6246388935 - 1.091439683098 47634.0149719570 - 1.117100115147 48373.7883516059 + 0.214058622014 13333.2041129528 + 0.214058622014 13333.2041129528 + 0.319515244164 18719.3924516704 + 0.427664893852 23733.9150183451 + 0.642518324187 32501.2592350733 + 0.857728286729 40042.2061805490 + 0.857728286729 40042.2061805490 + 1.091439683098 47149.5532676962 + 1.117100115147 47871.9919427657 0.000000100644 0.0547821166 - 0.003011232021 270.6479161164 - 0.004731103660 420.7771632198 - 0.008203566196 718.3610484555 - 0.014222864740 1221.6466692737 - 0.017914301120 1524.2531303858 - 0.023444534510 1970.6422438617 - 0.035438622657 2915.3385310375 - 0.037399770532 3067.1742741093 - 0.041302477475 3367.3609247865 - 0.053483396682 4288.8699998552 - 0.065334737225 5165.5057868604 - 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Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.039e-08 Temperature (°C) = 5.00 - Electrical balance (eq) = 3.813e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.085e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.110124e+02 Total O = 5.555149e+01 @@ -277,7 +277,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.332e-02 -1.821 -1.876 -0.054 26.86 Na 1.509e-02 Na+ 1.509e-02 1.342e-02 -1.821 -1.872 -0.051 -2.82 - NaOH 6.363e-20 6.385e-20 -19.196 -19.195 0.002 (0) O(0) 2.599e-08 O2 1.299e-08 1.304e-08 -7.886 -7.885 0.002 28.29 @@ -336,7 +335,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.473e-08 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.405e-16 + Electrical balance (eq) = -2.114e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 26 Total H = 1.110124e+02 @@ -363,7 +362,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.548e-02 -1.520 -1.594 -0.073 26.90 Na 3.017e-02 Na+ 3.017e-02 2.584e-02 -1.520 -1.588 -0.067 -2.74 - NaOH 1.261e-19 1.269e-19 -18.899 -18.896 0.003 (0) O(0) 3.683e-08 O2 1.841e-08 1.854e-08 -7.735 -7.732 0.003 28.29 @@ -422,7 +420,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.060e-08 Temperature (°C) = 5.00 - Electrical balance (eq) = -3.697e-16 + Electrical balance (eq) = -2.343e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 26 Total H = 1.110124e+02 @@ -449,7 +447,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.820e-02 -1.219 -1.317 -0.098 26.97 Na 6.039e-02 Na+ 6.039e-02 4.947e-02 -1.219 -1.306 -0.087 -2.62 - NaOH 2.489e-19 2.524e-19 -18.604 -18.598 0.006 (0) O(0) 5.150e-08 O2 2.575e-08 2.611e-08 -7.589 -7.583 0.006 28.29 @@ -508,7 +505,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.829e-08 Temperature (°C) = 5.00 - Electrical balance (eq) = -1.621e-15 + Electrical balance (eq) = -1.610e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 27 Total H = 1.110124e+02 @@ -535,7 +532,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.990e-02 -0.918 -1.046 -0.128 27.07 Na 1.208e-01 Na+ 1.208e-01 9.427e-02 -0.918 -1.026 -0.108 -2.47 - NaOH 4.883e-19 5.020e-19 -18.311 -18.299 0.012 (0) O(0) 7.074e-08 O2 3.537e-08 3.637e-08 -7.451 -7.439 0.012 28.29 @@ -594,8 +590,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.859e-08 Temperature (°C) = 5.00 - Electrical balance (eq) = 5.164e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.134e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 27 Total H = 1.110124e+02 Total O = 5.626042e+01 @@ -621,7 +617,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.714e-01 -0.600 -0.766 -0.166 27.23 Na 2.514e-01 Na+ 2.514e-01 1.872e-01 -0.600 -0.728 -0.128 -2.24 - NaOH 9.862e-19 1.045e-18 -18.006 -17.981 0.025 (0) O(0) 9.647e-08 O2 4.823e-08 5.111e-08 -7.317 -7.292 0.025 28.29 @@ -680,8 +675,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.992e-08 Temperature (°C) = 5.00 - Electrical balance (eq) = 2.661e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.367e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 Total O = 5.700922e+01 @@ -707,7 +702,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 3.111e-01 -0.300 -0.507 -0.207 27.47 Na 5.010e-01 Na+ 5.010e-01 3.635e-01 -0.300 -0.439 -0.139 -1.93 - NaOH 1.884e-18 2.115e-18 -17.725 -17.675 0.050 (0) O(0) 1.248e-07 O2 6.240e-08 7.003e-08 -7.205 -7.155 0.050 28.29 @@ -873,7 +867,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.057e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = 6.346e-16 + Electrical balance (eq) = 1.395e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 21 Total H = 1.110124e+02 @@ -900,7 +894,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.329e-02 -1.821 -1.876 -0.055 28.45 Na 1.509e-02 Na+ 1.509e-02 1.340e-02 -1.821 -1.873 -0.052 -1.96 - NaOH 1.019e-19 1.023e-19 -18.992 -18.990 0.002 (0) O(0) 5.143e-08 O2 2.571e-08 2.580e-08 -7.590 -7.588 0.002 29.51 @@ -959,7 +952,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.899e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = -3.296e-16 + Electrical balance (eq) = -3.251e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 @@ -986,7 +979,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.542e-02 -1.520 -1.595 -0.074 28.50 Na 3.017e-02 Na+ 3.017e-02 2.578e-02 -1.520 -1.589 -0.068 -1.88 - NaOH 2.037e-19 2.051e-19 -18.691 -18.688 0.003 (0) O(0) 7.249e-08 O2 3.624e-08 3.650e-08 -7.441 -7.438 0.003 29.51 @@ -1045,8 +1037,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.690e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.557e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.718e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 Total O = 5.565622e+01 @@ -1072,7 +1064,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 4.045e-02 -1.301 -1.393 -0.092 28.55 Na 5.000e-02 Na+ 5.000e-02 4.137e-02 -1.301 -1.383 -0.082 -1.81 - NaOH 3.368e-19 3.407e-19 -18.473 -18.468 0.005 (0) O(0) 9.224e-08 O2 4.612e-08 4.666e-08 -7.336 -7.331 0.005 29.51 @@ -1131,7 +1122,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.029e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.900e-15 + Electrical balance (eq) = 1.899e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 25 Total H = 1.110124e+02 @@ -1158,7 +1149,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.804e-02 -1.219 -1.318 -0.099 28.57 Na 6.039e-02 Na+ 6.039e-02 4.932e-02 -1.219 -1.307 -0.088 -1.78 - NaOH 4.062e-19 4.119e-19 -18.391 -18.385 0.006 (0) O(0) 1.007e-07 O2 5.036e-08 5.106e-08 -7.298 -7.292 0.006 29.51 @@ -1217,7 +1207,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.059e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = -3.205e-15 + Electrical balance (eq) = -3.206e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 @@ -1244,7 +1234,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.567e-02 -1.000 -1.121 -0.121 28.64 Na 1.000e-01 Na+ 1.000e-01 7.882e-02 -1.000 -1.103 -0.103 -1.68 - NaOH 6.686e-19 6.842e-19 -18.175 -18.165 0.010 (0) O(0) 1.265e-07 O2 6.324e-08 6.472e-08 -7.199 -7.189 0.010 29.51 @@ -1303,7 +1292,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.495e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = 7.723e-16 + Electrical balance (eq) = 7.745e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 25 Total H = 1.110124e+02 @@ -1330,7 +1319,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.953e-02 -0.918 -1.048 -0.130 28.67 Na 1.208e-01 Na+ 1.208e-01 9.393e-02 -0.918 -1.027 -0.109 -1.64 - NaOH 8.051e-19 8.278e-19 -18.094 -18.082 0.012 (0) O(0) 1.374e-07 O2 6.868e-08 7.062e-08 -7.163 -7.151 0.012 29.51 @@ -1389,7 +1377,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.438e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = -8.588e-15 + Electrical balance (eq) = -8.483e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 @@ -1416,7 +1404,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.705e-01 -0.600 -0.768 -0.169 28.83 Na 2.514e-01 Na+ 2.514e-01 1.863e-01 -0.600 -0.730 -0.130 -1.44 - NaOH 1.645e-18 1.743e-18 -17.784 -17.759 0.025 (0) O(0) 1.859e-07 O2 9.297e-08 9.851e-08 -7.032 -7.007 0.025 29.51 @@ -1475,7 +1462,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.553e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = 2.036e-14 + Electrical balance (eq) = 4.066e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 26 Total H = 1.110124e+02 @@ -1502,7 +1489,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.087e-01 -0.301 -0.511 -0.209 29.06 Na 5.000e-01 Na+ 5.000e-01 3.609e-01 -0.301 -0.443 -0.142 -1.17 - NaOH 3.166e-18 3.552e-18 -17.499 -17.449 0.050 (0) O(0) 2.388e-07 O2 1.194e-07 1.340e-07 -6.923 -6.873 0.050 29.51 @@ -1588,7 +1574,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 3.092e-01 -0.300 -0.510 -0.210 29.06 Na 5.010e-01 Na+ 5.010e-01 3.616e-01 -0.300 -0.442 -0.142 -1.17 - NaOH 3.172e-18 3.560e-18 -17.499 -17.449 0.050 (0) O(0) 2.390e-07 O2 1.195e-07 1.341e-07 -6.923 -6.873 0.050 29.51 @@ -1647,7 +1632,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.166e-07 Temperature (°C) = 15.00 - Electrical balance (eq) = 4.894e-14 + Electrical balance (eq) = 1.621e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 26 Total H = 1.110124e+02 @@ -1674,7 +1659,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.581e-01 -0.000 -0.253 -0.253 29.41 Na 1.000e+00 Na+ 1.000e+00 7.363e-01 0.000 -0.133 -0.133 -0.80 - NaOH 5.950e-18 7.490e-18 -17.226 -17.126 0.100 (0) O(0) 2.915e-07 O2 1.458e-07 1.835e-07 -6.836 -6.736 0.100 29.51 @@ -1733,7 +1717,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.296e-07 Temperature (°C) = 15.00 - Electrical balance (eq) = 6.356e-14 + Electrical balance (eq) = 6.362e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 27 Total H = 1.110124e+02 @@ -1760,7 +1744,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 1.009e+00 0.301 0.004 -0.297 29.98 Na 2.000e+00 Na+ 2.000e+00 1.657e+00 0.301 0.219 -0.082 -0.28 - NaOH 1.049e-17 1.663e-17 -16.979 -16.779 0.200 (0) O(0) 3.239e-07 O2 1.620e-07 2.567e-07 -6.791 -6.591 0.200 29.51 @@ -1819,7 +1802,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.278e-07 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.066e-13 + Electrical balance (eq) = 1.072e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 27 Total H = 1.110124e+02 @@ -1846,7 +1829,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.429e+00 0.477 0.155 -0.322 30.46 Na 3.000e+00 Na+ 3.000e+00 2.888e+00 0.477 0.461 -0.017 0.11 - NaOH 1.384e-17 2.761e-17 -16.859 -16.559 0.300 (0) O(0) 3.195e-07 O2 1.598e-07 3.188e-07 -6.797 -6.497 0.300 29.51 @@ -1905,8 +1887,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.204e-07 Temperature (°C) = 15.00 - Electrical balance (eq) = 1.110e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.449e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 27 Total H = 1.110124e+02 Total O = 6.738322e+01 @@ -1932,7 +1914,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.817e+00 0.598 0.259 -0.338 30.88 Na 3.959e+00 Na+ 3.959e+00 4.457e+00 0.598 0.649 0.051 0.44 - NaOH 1.611e-17 4.010e-17 -16.793 -16.397 0.396 (0) O(0) 3.010e-07 O2 1.505e-07 3.745e-07 -6.822 -6.427 0.396 29.51 @@ -1991,7 +1972,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.824e-08 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.303e-13 + Electrical balance (eq) = -1.312e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 27 Total H = 1.110124e+02 @@ -2018,7 +1999,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.612e+00 0.778 0.417 -0.361 31.70 Na 6.000e+00 Na+ 6.000e+00 9.598e+00 0.778 0.982 0.204 1.02 - NaOH 1.876e-17 7.468e-17 -16.727 -16.127 0.600 (0) O(0) 2.456e-07 O2 1.228e-07 4.889e-07 -6.911 -6.311 0.600 29.51 @@ -2184,8 +2164,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.050e-08 Temperature (°C) = 20.00 - Electrical balance (eq) = -2.299e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 9.693e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 18 Total H = 1.110124e+02 Total O = 5.565622e+01 @@ -2211,7 +2191,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 4.039e-02 -1.301 -1.394 -0.093 29.16 Na 5.000e-02 Na+ 5.000e-02 4.131e-02 -1.301 -1.384 -0.083 -1.49 - NaOH 4.235e-19 4.284e-19 -18.373 -18.368 0.005 (0) O(0) 1.263e-07 O2 6.313e-08 6.386e-08 -7.200 -7.195 0.005 29.98 @@ -2270,7 +2249,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.900e-08 Temperature (°C) = 20.00 - Electrical balance (eq) = 2.427e-15 + Electrical balance (eq) = 2.433e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 25 Total H = 1.110124e+02 @@ -2297,7 +2276,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.551e-02 -1.000 -1.122 -0.122 29.25 Na 1.000e-01 Na+ 1.000e-01 7.867e-02 -1.000 -1.104 -0.104 -1.37 - NaOH 8.453e-19 8.650e-19 -18.073 -18.063 0.010 (0) O(0) 1.725e-07 O2 8.625e-08 8.826e-08 -7.064 -7.054 0.010 29.98 @@ -2356,7 +2334,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.900e-08 Temperature (°C) = 20.00 - Electrical balance (eq) = 2.427e-15 + Electrical balance (eq) = 2.433e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 25 Total H = 1.110124e+02 @@ -2383,7 +2361,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.551e-02 -1.000 -1.122 -0.122 29.25 Na 1.000e-01 Na+ 1.000e-01 7.867e-02 -1.000 -1.104 -0.104 -1.37 - NaOH 8.453e-19 8.650e-19 -18.073 -18.063 0.010 (0) O(0) 1.725e-07 O2 8.625e-08 8.826e-08 -7.064 -7.054 0.010 29.98 @@ -2442,7 +2419,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.084e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = -1.072e-14 + Electrical balance (eq) = -1.063e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 @@ -2469,7 +2446,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.999e-01 -0.519 -0.699 -0.181 29.49 Na 3.030e-01 Na+ 3.030e-01 2.218e-01 -0.519 -0.654 -0.136 -1.07 - NaOH 2.509e-18 2.690e-18 -17.601 -17.570 0.030 (0) O(0) 2.709e-07 O2 1.355e-07 1.453e-07 -6.868 -6.838 0.030 29.98 @@ -2528,7 +2504,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.293e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = -1.122e-14 + Electrical balance (eq) = -1.132e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 @@ -2555,7 +2531,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.076e-01 -0.301 -0.512 -0.211 29.66 Na 5.000e-01 Na+ 5.000e-01 3.599e-01 -0.301 -0.444 -0.143 -0.88 - NaOH 4.048e-18 4.542e-18 -17.393 -17.343 0.050 (0) O(0) 3.232e-07 O2 1.616e-07 1.813e-07 -6.792 -6.742 0.050 29.98 @@ -2614,7 +2589,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.356e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = -3.166e-15 + Electrical balance (eq) = -3.252e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 26 Total H = 1.110124e+02 @@ -2641,7 +2616,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.493e-01 -0.237 -0.457 -0.220 29.72 Na 5.800e-01 Na+ 5.800e-01 4.170e-01 -0.237 -0.380 -0.143 -0.82 - NaOH 4.653e-18 5.318e-18 -17.332 -17.274 0.058 (0) O(0) 3.389e-07 O2 1.695e-07 1.937e-07 -6.771 -6.713 0.058 29.98 @@ -2700,7 +2674,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.531e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = -1.323e-14 + Electrical balance (eq) = -4.248e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 @@ -2727,7 +2701,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 5.043e-01 -0.050 -0.297 -0.248 29.93 Na 8.920e-01 Na+ 8.920e-01 6.492e-01 -0.050 -0.188 -0.138 -0.60 - NaOH 6.897e-18 8.470e-18 -17.161 -17.072 0.089 (0) O(0) 3.829e-07 O2 1.914e-07 2.351e-07 -6.718 -6.629 0.089 29.98 @@ -2786,7 +2759,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.574e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = 2.944e-14 + Electrical balance (eq) = 2.921e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 17 Total H = 1.110124e+02 @@ -2813,7 +2786,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.559e-01 -0.000 -0.255 -0.255 30.00 Na 1.000e+00 Na+ 1.000e+00 7.338e-01 0.000 -0.134 -0.134 -0.54 - NaOH 7.633e-18 9.609e-18 -17.117 -17.017 0.100 (0) O(0) 3.936e-07 O2 1.968e-07 2.477e-07 -6.706 -6.606 0.100 29.98 @@ -2872,7 +2844,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.747e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = -1.075e-13 + Electrical balance (eq) = -1.076e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.110124e+02 @@ -2899,7 +2871,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 1.004e+00 0.301 0.002 -0.299 30.52 Na 2.000e+00 Na+ 2.000e+00 1.650e+00 0.301 0.218 -0.083 -0.06 - NaOH 1.348e-17 2.136e-17 -16.870 -16.670 0.200 (0) O(0) 4.368e-07 O2 2.184e-07 3.461e-07 -6.661 -6.461 0.200 29.98 @@ -2958,7 +2929,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.724e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = -1.065e-13 + Electrical balance (eq) = -1.061e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.110124e+02 @@ -2985,7 +2956,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.422e+00 0.477 0.153 -0.324 30.95 Na 3.000e+00 Na+ 3.000e+00 2.877e+00 0.477 0.459 -0.018 0.31 - NaOH 1.775e-17 3.541e-17 -16.751 -16.451 0.300 (0) O(0) 4.310e-07 O2 2.155e-07 4.299e-07 -6.667 -6.367 0.300 29.98 @@ -3044,7 +3014,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.625e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = 1.155e-13 + Electrical balance (eq) = 1.146e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 19 Total H = 1.110124e+02 @@ -3071,7 +3041,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.808e+00 0.598 0.257 -0.340 31.33 Na 3.959e+00 Na+ 3.959e+00 4.439e+00 0.598 0.647 0.050 0.61 - NaOH 2.063e-17 5.134e-17 -16.685 -16.290 0.396 (0) O(0) 4.064e-07 O2 2.032e-07 5.056e-07 -6.692 -6.296 0.396 29.98 @@ -3130,9 +3099,9 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.330e-07 Temperature (°C) = 20.00 - Electrical balance (eq) = -6.950e-14 + Electrical balance (eq) = -4.358e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 21 Total H = 1.110124e+02 Total O = 7.350622e+01 @@ -3157,7 +3126,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.598e+00 0.778 0.415 -0.364 32.04 Na 6.000e+00 Na+ 6.000e+00 9.558e+00 0.778 0.980 0.202 1.15 - NaOH 2.389e-17 9.512e-17 -16.622 -16.022 0.600 (0) O(0) 3.325e-07 O2 1.662e-07 6.618e-07 -6.779 -6.179 0.600 29.98 @@ -3323,8 +3291,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.843e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.352e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -9.903e-18 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.555149e+01 @@ -3350,7 +3318,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.327e-02 -1.821 -1.877 -0.056 29.58 Na 1.509e-02 Na+ 1.509e-02 1.337e-02 -1.821 -1.874 -0.053 -1.35 - NaOH 1.571e-19 1.576e-19 -18.804 -18.802 0.002 (0) O(0) 9.607e-08 O2 4.803e-08 4.820e-08 -7.318 -7.317 0.002 30.40 @@ -3409,7 +3376,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.383e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.236e-16 + Electrical balance (eq) = 1.313e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3436,7 +3403,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.535e-02 -1.520 -1.596 -0.076 29.63 Na 3.017e-02 Na+ 3.017e-02 2.572e-02 -1.520 -1.590 -0.069 -1.28 - NaOH 3.169e-19 3.191e-19 -18.499 -18.496 0.003 (0) O(0) 1.346e-07 O2 6.729e-08 6.776e-08 -7.172 -7.169 0.003 30.40 @@ -3495,8 +3461,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.817e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.734e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.457e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.565622e+01 @@ -3522,7 +3488,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 4.032e-02 -1.301 -1.394 -0.093 29.67 Na 5.000e-02 Na+ 5.000e-02 4.124e-02 -1.301 -1.385 -0.084 -1.21 - NaOH 5.279e-19 5.340e-19 -18.277 -18.272 0.005 (0) O(0) 1.704e-07 O2 8.521e-08 8.620e-08 -7.069 -7.064 0.005 30.40 @@ -3581,7 +3546,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.926e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.041e-15 + Electrical balance (eq) = 3.418e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3608,7 +3573,6 @@ N(5) 5.176e-02 NO3- 5.176e-02 4.161e-02 -1.286 -1.381 -0.095 29.68 Na 5.176e-02 Na+ 5.176e-02 4.259e-02 -1.286 -1.371 -0.085 -1.21 - NaOH 5.466e-19 5.532e-19 -18.262 -18.257 0.005 (0) O(0) 1.731e-07 O2 8.657e-08 8.761e-08 -7.063 -7.057 0.005 30.40 @@ -3667,8 +3631,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.429e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.733e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.990e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.568739e+01 @@ -3694,7 +3658,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.787e-02 -1.219 -1.320 -0.101 29.70 Na 6.039e-02 Na+ 6.039e-02 4.916e-02 -1.219 -1.308 -0.089 -1.18 - NaOH 6.385e-19 6.475e-19 -18.195 -18.189 0.006 (0) O(0) 1.857e-07 O2 9.286e-08 9.416e-08 -7.032 -7.026 0.006 30.40 @@ -3753,7 +3716,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 8.042e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.232e-15 + Electrical balance (eq) = 5.180e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -3780,7 +3743,6 @@ N(5) 7.209e-02 NO3- 7.209e-02 5.618e-02 -1.142 -1.250 -0.108 29.72 Na 7.209e-02 Na+ 7.209e-02 5.795e-02 -1.142 -1.237 -0.095 -1.15 - NaOH 7.630e-19 7.758e-19 -18.117 -18.110 0.007 (0) O(0) 2.011e-07 O2 1.005e-07 1.022e-07 -6.998 -6.991 0.007 30.40 @@ -3839,8 +3801,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.148e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.451e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.302e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.579638e+01 @@ -3866,7 +3828,6 @@ N(5) 9.672e-02 NO3- 9.672e-02 7.313e-02 -1.014 -1.136 -0.121 29.76 Na 9.672e-02 Na+ 9.672e-02 7.612e-02 -1.014 -1.119 -0.104 -1.10 - NaOH 1.025e-18 1.048e-18 -17.989 -17.980 0.010 (0) O(0) 2.287e-07 O2 1.144e-07 1.169e-07 -6.942 -6.932 0.010 30.40 @@ -3925,8 +3886,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.281e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.040e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.257e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.580622e+01 @@ -3952,7 +3913,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.059e-18 1.084e-18 -17.975 -17.965 0.010 (0) O(0) 2.320e-07 O2 1.160e-07 1.187e-07 -6.936 -6.926 0.010 30.40 @@ -4011,8 +3971,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.281e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.040e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.257e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.580622e+01 @@ -4038,7 +3998,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.059e-18 1.084e-18 -17.975 -17.965 0.010 (0) O(0) 2.320e-07 O2 1.160e-07 1.187e-07 -6.936 -6.926 0.010 30.40 @@ -4097,7 +4056,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.325e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.806e-15 + Electrical balance (eq) = -5.147e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -4124,7 +4083,6 @@ N(5) 1.011e-01 NO3- 1.011e-01 7.609e-02 -0.995 -1.119 -0.123 29.77 Na 1.011e-01 Na+ 1.011e-01 7.932e-02 -0.995 -1.101 -0.105 -1.09 - NaOH 1.071e-18 1.096e-18 -17.970 -17.960 0.010 (0) O(0) 2.331e-07 O2 1.166e-07 1.193e-07 -6.933 -6.923 0.010 30.40 @@ -4183,8 +4141,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.006e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.298e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.640e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.586859e+01 @@ -4210,7 +4168,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.912e-02 -0.918 -1.050 -0.132 29.80 Na 1.208e-01 Na+ 1.208e-01 9.354e-02 -0.918 -1.029 -0.111 -1.05 - NaOH 1.279e-18 1.316e-18 -17.893 -17.881 0.012 (0) O(0) 2.515e-07 O2 1.257e-07 1.293e-07 -6.901 -6.888 0.012 30.40 @@ -4269,7 +4226,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.237e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.731e-15 + Electrical balance (eq) = -5.036e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -4296,7 +4253,6 @@ N(5) 2.003e-01 NO3- 2.003e-01 1.391e-01 -0.698 -0.857 -0.158 29.90 Na 2.003e-01 Na+ 2.003e-01 1.498e-01 -0.698 -0.825 -0.126 -0.93 - NaOH 2.113e-18 2.213e-18 -17.675 -17.655 0.020 (0) O(0) 3.093e-07 O2 1.547e-07 1.620e-07 -6.811 -6.791 0.020 30.40 @@ -4355,7 +4311,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.252e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.700e-15 + Electrical balance (eq) = -3.643e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -4382,7 +4338,6 @@ N(5) 2.066e-01 NO3- 2.066e-01 1.429e-01 -0.685 -0.845 -0.160 29.91 Na 2.066e-01 Na+ 2.066e-01 1.541e-01 -0.685 -0.812 -0.127 -0.92 - NaOH 2.178e-18 2.284e-18 -17.662 -17.641 0.021 (0) O(0) 3.131e-07 O2 1.566e-07 1.642e-07 -6.805 -6.785 0.021 30.40 @@ -4441,8 +4396,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.352e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.454e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.768e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.626042e+01 @@ -4468,7 +4423,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.695e-01 -0.600 -0.771 -0.171 29.95 Na 2.514e-01 Na+ 2.514e-01 1.854e-01 -0.600 -0.732 -0.132 -0.87 - NaOH 2.642e-18 2.799e-18 -17.578 -17.553 0.025 (0) O(0) 3.379e-07 O2 1.689e-07 1.790e-07 -6.772 -6.747 0.025 30.40 @@ -4527,7 +4481,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.442e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.032e-14 + Electrical balance (eq) = 6.498e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -4554,7 +4508,6 @@ N(5) 2.988e-01 NO3- 2.988e-01 1.969e-01 -0.525 -0.706 -0.181 30.00 Na 2.988e-01 Na+ 2.988e-01 2.183e-01 -0.525 -0.661 -0.136 -0.81 - NaOH 3.127e-18 3.350e-18 -17.505 -17.475 0.030 (0) O(0) 3.605e-07 O2 1.803e-07 1.931e-07 -6.744 -6.714 0.030 30.40 @@ -4613,7 +4566,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.450e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.413e-15 + Electrical balance (eq) = -5.460e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -4640,7 +4593,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.993e-01 -0.519 -0.701 -0.182 30.01 Na 3.030e-01 Na+ 3.030e-01 2.212e-01 -0.519 -0.655 -0.137 -0.81 - NaOH 3.170e-18 3.399e-18 -17.499 -17.469 0.030 (0) O(0) 3.624e-07 O2 1.812e-07 1.943e-07 -6.742 -6.712 0.030 30.40 @@ -4699,7 +4651,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.505e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.213e-15 + Electrical balance (eq) = 1.753e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -4726,7 +4678,6 @@ N(5) 3.358e-01 NO3- 3.358e-01 2.177e-01 -0.474 -0.662 -0.188 30.04 Na 3.358e-01 Na+ 3.358e-01 2.439e-01 -0.474 -0.613 -0.139 -0.78 - NaOH 3.502e-18 3.784e-18 -17.456 -17.422 0.034 (0) O(0) 3.762e-07 O2 1.881e-07 2.032e-07 -6.726 -6.692 0.034 30.40 @@ -4785,7 +4736,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.602e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.553e-15 + Electrical balance (eq) = 2.969e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -4812,7 +4763,6 @@ N(5) 4.009e-01 NO3- 4.009e-01 2.536e-01 -0.397 -0.596 -0.199 30.09 Na 4.009e-01 Na+ 4.009e-01 2.892e-01 -0.397 -0.539 -0.142 -0.71 - NaOH 4.155e-18 4.557e-18 -17.381 -17.341 0.040 (0) O(0) 4.005e-07 O2 2.003e-07 2.196e-07 -6.698 -6.658 0.040 30.40 @@ -4871,7 +4821,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.688e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.672e-15 + Electrical balance (eq) = -2.675e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -4898,7 +4848,6 @@ N(5) 4.677e-01 NO3- 4.677e-01 2.895e-01 -0.330 -0.538 -0.208 30.15 Na 4.677e-01 Na+ 4.677e-01 3.360e-01 -0.330 -0.474 -0.144 -0.66 - NaOH 4.815e-18 5.362e-18 -17.317 -17.271 0.047 (0) O(0) 4.220e-07 O2 2.110e-07 2.350e-07 -6.676 -6.629 0.047 30.40 @@ -4957,8 +4906,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.723e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.837e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.268e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.700136e+01 @@ -4984,7 +4933,6 @@ N(5) 4.984e-01 NO3- 4.984e-01 3.057e-01 -0.302 -0.515 -0.212 30.17 Na 4.984e-01 Na+ 4.984e-01 3.576e-01 -0.302 -0.447 -0.144 -0.63 - NaOH 5.114e-18 5.736e-18 -17.291 -17.241 0.050 (0) O(0) 4.309e-07 O2 2.154e-07 2.416e-07 -6.667 -6.617 0.050 30.40 @@ -5043,7 +4991,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.725e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.711e-14 + Electrical balance (eq) = -1.714e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5070,7 +5018,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.065e-01 -0.301 -0.514 -0.213 30.17 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 5.130e-18 5.756e-18 -17.290 -17.240 0.050 (0) O(0) 4.313e-07 O2 2.157e-07 2.420e-07 -6.666 -6.616 0.050 30.40 @@ -5129,7 +5076,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.725e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.711e-14 + Electrical balance (eq) = -1.714e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5156,7 +5103,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.065e-01 -0.301 -0.514 -0.213 30.17 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 5.130e-18 5.756e-18 -17.290 -17.240 0.050 (0) O(0) 4.313e-07 O2 2.157e-07 2.420e-07 -6.666 -6.616 0.050 30.40 @@ -5215,7 +5161,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.726e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.934e-15 + Electrical balance (eq) = 2.924e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5242,7 +5188,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 3.070e-01 -0.300 -0.513 -0.213 30.17 Na 5.010e-01 Na+ 5.010e-01 3.595e-01 -0.300 -0.444 -0.144 -0.63 - NaOH 5.140e-18 5.768e-18 -17.289 -17.239 0.050 (0) O(0) 4.316e-07 O2 2.158e-07 2.422e-07 -6.666 -6.616 0.050 30.40 @@ -5301,7 +5246,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.808e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.190e-14 + Electrical balance (eq) = -2.498e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5328,7 +5273,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.480e-01 -0.237 -0.458 -0.222 30.23 Na 5.800e-01 Na+ 5.800e-01 4.157e-01 -0.237 -0.381 -0.145 -0.57 - NaOH 5.901e-18 6.744e-18 -17.229 -17.171 0.058 (0) O(0) 4.521e-07 O2 2.260e-07 2.583e-07 -6.646 -6.588 0.058 30.40 @@ -5387,7 +5331,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.826e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.157e-15 + Electrical balance (eq) = -9.190e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5414,7 +5358,6 @@ N(5) 5.990e-01 NO3- 5.990e-01 3.577e-01 -0.223 -0.447 -0.224 30.24 Na 5.990e-01 Na+ 5.990e-01 4.293e-01 -0.223 -0.367 -0.145 -0.56 - NaOH 6.081e-18 6.980e-18 -17.216 -17.156 0.060 (0) O(0) 4.565e-07 O2 2.283e-07 2.620e-07 -6.642 -6.582 0.060 30.40 @@ -5473,7 +5416,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.904e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.820e-14 + Electrical balance (eq) = 1.703e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5500,7 +5443,6 @@ N(5) 6.898e-01 NO3- 6.898e-01 4.034e-01 -0.161 -0.394 -0.233 30.30 Na 6.898e-01 Na+ 6.898e-01 4.952e-01 -0.161 -0.305 -0.144 -0.49 - NaOH 6.933e-18 8.127e-18 -17.159 -17.090 0.069 (0) O(0) 4.760e-07 O2 2.380e-07 2.790e-07 -6.623 -6.554 0.069 30.40 @@ -5559,8 +5501,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.912e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.193e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.093e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.760544e+01 @@ -5586,7 +5528,6 @@ N(5) 6.997e-01 NO3- 6.997e-01 4.084e-01 -0.155 -0.389 -0.234 30.31 Na 6.997e-01 Na+ 6.997e-01 5.025e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 7.026e-18 8.254e-18 -17.153 -17.083 0.070 (0) O(0) 4.780e-07 O2 2.390e-07 2.808e-07 -6.622 -6.552 0.070 30.40 @@ -5645,7 +5586,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.983e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.384e-16 + Electrical balance (eq) = -2.638e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5672,7 +5613,6 @@ N(5) 7.989e-01 NO3- 7.989e-01 4.572e-01 -0.097 -0.340 -0.242 30.37 Na 7.989e-01 Na+ 7.989e-01 5.763e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 7.933e-18 9.535e-18 -17.101 -17.021 0.080 (0) O(0) 4.957e-07 O2 2.479e-07 2.979e-07 -6.606 -6.526 0.080 30.40 @@ -5731,7 +5671,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.040e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.289e-15 + Electrical balance (eq) = -5.438e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5758,7 +5698,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 5.022e-01 -0.050 -0.299 -0.249 30.43 Na 8.920e-01 Na+ 8.920e-01 6.470e-01 -0.050 -0.189 -0.139 -0.37 - NaOH 8.763e-18 1.076e-17 -17.057 -16.968 0.089 (0) O(0) 5.100e-07 O2 2.550e-07 3.131e-07 -6.593 -6.504 0.089 30.40 @@ -5817,7 +5756,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.043e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.791e-14 + Electrical balance (eq) = 2.778e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5844,7 +5783,6 @@ N(5) 8.970e-01 NO3- 8.970e-01 5.046e-01 -0.047 -0.297 -0.250 30.43 Na 8.970e-01 Na+ 8.970e-01 6.508e-01 -0.047 -0.187 -0.139 -0.36 - NaOH 8.806e-18 1.083e-17 -17.055 -16.966 0.090 (0) O(0) 5.107e-07 O2 2.553e-07 3.139e-07 -6.593 -6.503 0.090 30.40 @@ -5903,7 +5841,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.066e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.286e-14 + Electrical balance (eq) = 1.308e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -5930,7 +5868,6 @@ N(5) 9.406e-01 NO3- 9.406e-01 5.254e-01 -0.027 -0.279 -0.253 30.46 Na 9.407e-01 Na+ 9.407e-01 6.847e-01 -0.027 -0.165 -0.138 -0.34 - NaOH 9.189e-18 1.141e-17 -17.037 -16.943 0.094 (0) O(0) 5.166e-07 O2 2.583e-07 3.208e-07 -6.588 -6.494 0.094 30.40 @@ -5989,7 +5926,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.096e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.348e-15 + Electrical balance (eq) = -7.349e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6016,7 +5953,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.535e-01 -0.000 -0.257 -0.257 30.49 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 9.701e-18 1.221e-17 -17.013 -16.913 0.100 (0) O(0) 5.240e-07 O2 2.620e-07 3.299e-07 -6.582 -6.482 0.100 30.40 @@ -6075,7 +6011,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.096e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.348e-15 + Electrical balance (eq) = -7.349e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6102,7 +6038,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.535e-01 -0.000 -0.257 -0.257 30.49 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 9.701e-18 1.221e-17 -17.013 -16.913 0.100 (0) O(0) 5.240e-07 O2 2.620e-07 3.299e-07 -6.582 -6.482 0.100 30.40 @@ -6161,7 +6096,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.096e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.801e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6188,7 +6123,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.535e-01 0.000 -0.257 -0.257 30.49 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 9.701e-18 1.221e-17 -17.013 -16.913 0.100 (0) O(0) 5.241e-07 O2 2.620e-07 3.299e-07 -6.582 -6.482 0.100 30.40 @@ -6247,7 +6181,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.101e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.443e-14 + Electrical balance (eq) = 1.437e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6274,7 +6208,6 @@ N(5) 1.011e+00 NO3- 1.011e+00 5.586e-01 0.005 -0.253 -0.258 30.50 Na 1.011e+00 Na+ 1.011e+00 7.399e-01 0.005 -0.131 -0.136 -0.30 - NaOH 9.794e-18 1.236e-17 -17.009 -16.908 0.101 (0) O(0) 5.253e-07 O2 2.627e-07 3.315e-07 -6.581 -6.480 0.101 30.40 @@ -6333,7 +6266,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.177e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.535e-14 + Electrical balance (eq) = 1.584e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6360,7 +6293,6 @@ N(5) 1.196e+00 NO3- 1.196e+00 6.447e-01 0.078 -0.191 -0.268 30.60 Na 1.196e+00 Na+ 1.196e+00 8.907e-01 0.078 -0.050 -0.128 -0.20 - NaOH 1.134e-17 1.493e-17 -16.946 -16.826 0.120 (0) O(0) 5.442e-07 O2 2.721e-07 3.584e-07 -6.565 -6.446 0.120 30.40 @@ -6419,8 +6351,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.255e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.838e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 6.060e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.992618e+01 @@ -6446,7 +6378,6 @@ N(5) 1.473e+00 NO3- 1.473e+00 7.699e-01 0.168 -0.114 -0.282 30.73 Na 1.473e+00 Na+ 1.473e+00 1.131e+00 0.168 0.053 -0.115 -0.08 - NaOH 1.350e-17 1.895e-17 -16.870 -16.722 0.147 (0) O(0) 5.637e-07 O2 2.818e-07 3.957e-07 -6.550 -6.403 0.147 30.40 @@ -6505,7 +6436,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.260e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.639e-15 + Electrical balance (eq) = -6.178e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6532,7 +6463,6 @@ N(5) 1.500e+00 NO3- 1.500e+00 7.817e-01 0.176 -0.107 -0.283 30.75 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 1.370e-17 1.935e-17 -16.863 -16.713 0.150 (0) O(0) 5.651e-07 O2 2.826e-07 3.991e-07 -6.549 -6.399 0.150 30.40 @@ -6591,7 +6521,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.307e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.769e-15 + Electrical balance (eq) = 4.776e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6618,7 +6548,6 @@ N(5) 1.796e+00 NO3- 1.796e+00 9.116e-01 0.254 -0.040 -0.295 30.88 Na 1.796e+00 Na+ 1.796e+00 1.436e+00 0.254 0.157 -0.097 0.06 - NaOH 1.580e-17 2.390e-17 -16.801 -16.622 0.180 (0) O(0) 5.767e-07 O2 2.884e-07 4.361e-07 -6.540 -6.360 0.180 30.40 @@ -6677,7 +6606,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.324e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.549e-14 + Electrical balance (eq) = -2.592e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6704,7 +6633,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.993e-01 0.301 -0.000 -0.301 30.97 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 1.714e-17 2.717e-17 -16.766 -16.566 0.200 (0) O(0) 5.810e-07 O2 2.905e-07 4.604e-07 -6.537 -6.337 0.200 30.40 @@ -6763,7 +6691,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.324e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.549e-14 + Electrical balance (eq) = -2.592e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -6790,7 +6718,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.993e-01 0.301 -0.000 -0.301 30.97 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 1.714e-17 2.717e-17 -16.766 -16.566 0.200 (0) O(0) 5.810e-07 O2 2.905e-07 4.604e-07 -6.537 -6.337 0.200 30.40 @@ -6849,8 +6776,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.328e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.160e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.953e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.175597e+01 @@ -6876,7 +6803,6 @@ N(5) 2.083e+00 NO3- 2.083e+00 1.035e+00 0.319 0.015 -0.304 31.01 Na 2.083e+00 Na+ 2.083e+00 1.733e+00 0.319 0.239 -0.080 0.17 - NaOH 1.767e-17 2.854e-17 -16.753 -16.545 0.208 (0) O(0) 5.820e-07 O2 2.910e-07 4.701e-07 -6.536 -6.328 0.208 30.40 @@ -6935,8 +6861,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.329e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.804e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -4.148e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.189010e+01 @@ -6962,7 +6888,6 @@ N(5) 2.128e+00 NO3- 2.128e+00 1.054e+00 0.328 0.023 -0.305 31.02 Na 2.128e+00 Na+ 2.128e+00 1.781e+00 0.328 0.251 -0.077 0.19 - NaOH 1.794e-17 2.928e-17 -16.746 -16.533 0.213 (0) O(0) 5.824e-07 O2 2.912e-07 4.753e-07 -6.536 -6.323 0.213 30.40 @@ -7021,7 +6946,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.329e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.347e-14 + Electrical balance (eq) = -5.423e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -7048,7 +6973,6 @@ N(5) 2.462e+00 NO3- 2.462e+00 1.194e+00 0.391 0.077 -0.314 31.16 Na 2.462e+00 Na+ 2.462e+00 2.164e+00 0.391 0.335 -0.056 0.31 - NaOH 1.987e-17 3.503e-17 -16.702 -16.456 0.246 (0) O(0) 5.823e-07 O2 2.911e-07 5.132e-07 -6.536 -6.290 0.246 30.40 @@ -7107,8 +7031,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.328e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.902e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 9.311e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.300622e+01 @@ -7134,7 +7058,6 @@ N(5) 2.500e+00 NO3- 2.500e+00 1.210e+00 0.398 0.083 -0.315 31.17 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 2.008e-17 3.571e-17 -16.697 -16.447 0.250 (0) O(0) 5.820e-07 O2 2.910e-07 5.174e-07 -6.536 -6.286 0.250 30.40 @@ -7193,7 +7116,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.311e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.004e-13 + Electrical balance (eq) = -7.866e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -7220,7 +7143,6 @@ N(5) 2.799e+00 NO3- 2.799e+00 1.333e+00 0.447 0.125 -0.322 31.28 Na 2.799e+00 Na+ 2.799e+00 2.590e+00 0.447 0.413 -0.034 0.42 - NaOH 2.161e-17 4.118e-17 -16.665 -16.385 0.280 (0) O(0) 5.778e-07 O2 2.889e-07 5.503e-07 -6.539 -6.259 0.280 30.40 @@ -7279,7 +7201,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.294e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.327e-13 + Electrical balance (eq) = -8.111e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -7306,7 +7228,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.415e+00 0.477 0.151 -0.326 31.36 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 2.256e-17 4.500e-17 -16.647 -16.347 0.300 (0) O(0) 5.734e-07 O2 2.867e-07 5.721e-07 -6.543 -6.243 0.300 30.40 @@ -7365,7 +7286,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.294e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.327e-13 + Electrical balance (eq) = -8.111e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -7392,7 +7313,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.415e+00 0.477 0.151 -0.326 31.36 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 2.256e-17 4.500e-17 -16.647 -16.347 0.300 (0) O(0) 5.734e-07 O2 2.867e-07 5.721e-07 -6.543 -6.243 0.300 30.40 @@ -7451,7 +7371,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.282e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.573e-13 + Electrical balance (eq) = -1.570e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -7478,7 +7398,6 @@ N(5) 3.113e+00 NO3- 3.113e+00 1.461e+00 0.493 0.165 -0.329 31.40 Na 3.113e+00 Na+ 3.113e+00 3.026e+00 0.493 0.481 -0.012 0.52 - NaOH 2.305e-17 4.721e-17 -16.637 -16.326 0.311 (0) O(0) 5.705e-07 O2 2.853e-07 5.841e-07 -6.545 -6.233 0.311 30.40 @@ -7537,7 +7456,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.279e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.126e-13 + Electrical balance (eq) = -1.640e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -7564,7 +7483,6 @@ N(5) 3.144e+00 NO3- 3.144e+00 1.474e+00 0.498 0.168 -0.329 31.41 Na 3.144e+00 Na+ 3.144e+00 3.073e+00 0.498 0.488 -0.010 0.52 - NaOH 2.319e-17 4.783e-17 -16.635 -16.320 0.314 (0) O(0) 5.697e-07 O2 2.848e-07 5.875e-07 -6.545 -6.231 0.314 30.40 @@ -7650,7 +7568,6 @@ N(5) 3.486e+00 NO3- 3.486e+00 1.611e+00 0.542 0.207 -0.335 31.53 Na 3.486e+00 Na+ 3.486e+00 3.600e+00 0.542 0.556 0.014 0.63 - NaOH 2.456e-17 5.481e-17 -16.610 -16.261 0.349 (0) O(0) 5.590e-07 O2 2.795e-07 6.237e-07 -6.554 -6.205 0.349 30.40 @@ -7709,7 +7626,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.234e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.362e-13 + Electrical balance (eq) = -1.936e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -7736,7 +7653,6 @@ N(5) 3.500e+00 NO3- 3.500e+00 1.616e+00 0.544 0.209 -0.336 31.53 Na 3.500e+00 Na+ 3.500e+00 3.623e+00 0.544 0.559 0.015 0.63 - NaOH 2.461e-17 5.510e-17 -16.609 -16.259 0.350 (0) O(0) 5.586e-07 O2 2.793e-07 6.252e-07 -6.554 -6.204 0.350 30.40 @@ -7795,8 +7711,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.190e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.557e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 4.913e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 6.690706e+01 @@ -7822,7 +7738,6 @@ N(5) 3.800e+00 NO3- 3.800e+00 1.736e+00 0.580 0.239 -0.340 31.63 Na 3.800e+00 Na+ 3.800e+00 4.133e+00 0.580 0.616 0.036 0.71 - NaOH 2.567e-17 6.158e-17 -16.591 -16.211 0.380 (0) O(0) 5.475e-07 O2 2.737e-07 6.567e-07 -6.563 -6.183 0.380 30.40 @@ -7881,7 +7796,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.165e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.772e-14 + Electrical balance (eq) = 3.912e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7908,7 +7823,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.798e+00 0.598 0.255 -0.343 31.69 Na 3.959e+00 Na+ 3.959e+00 4.420e+00 0.598 0.645 0.048 0.76 - NaOH 2.618e-17 6.513e-17 -16.582 -16.186 0.396 (0) O(0) 5.411e-07 O2 2.706e-07 6.733e-07 -6.568 -6.172 0.396 30.40 @@ -7967,7 +7881,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.158e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.995e-14 + Electrical balance (eq) = -1.987e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -7994,7 +7908,6 @@ N(5) 4.000e+00 NO3- 4.000e+00 1.814e+00 0.602 0.259 -0.343 31.70 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 2.630e-17 6.607e-17 -16.580 -16.180 0.400 (0) O(0) 5.395e-07 O2 2.697e-07 6.775e-07 -6.569 -6.169 0.400 30.40 @@ -8053,8 +7966,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.137e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.312e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 6.622e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 6.788347e+01 @@ -8080,7 +7993,6 @@ N(5) 4.126e+00 NO3- 4.126e+00 1.864e+00 0.616 0.270 -0.345 31.74 Na 4.126e+00 Na+ 4.126e+00 4.737e+00 0.616 0.676 0.060 0.80 - NaOH 2.667e-17 6.897e-17 -16.574 -16.161 0.413 (0) O(0) 5.342e-07 O2 2.671e-07 6.906e-07 -6.573 -6.161 0.413 30.40 @@ -8139,7 +8051,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.109e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.482e-15 + Electrical balance (eq) = 7.387e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8166,7 +8078,6 @@ N(5) 4.285e+00 NO3- 4.285e+00 1.926e+00 0.632 0.285 -0.347 31.79 Na 4.285e+00 Na+ 4.285e+00 5.054e+00 0.632 0.704 0.072 0.84 - NaOH 2.711e-17 7.273e-17 -16.567 -16.138 0.429 (0) O(0) 5.272e-07 O2 2.636e-07 7.071e-07 -6.579 -6.151 0.429 30.40 @@ -8225,7 +8136,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.070e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.022e-13 + Electrical balance (eq) = 1.248e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8252,7 +8163,6 @@ N(5) 4.500e+00 NO3- 4.500e+00 2.010e+00 0.653 0.303 -0.350 31.86 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 2.766e-17 7.796e-17 -16.558 -16.108 0.450 (0) O(0) 5.176e-07 O2 2.588e-07 7.293e-07 -6.587 -6.137 0.450 30.40 @@ -8311,7 +8221,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.068e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.622e-14 + Electrical balance (eq) = -4.734e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8338,7 +8248,6 @@ N(5) 4.510e+00 NO3- 4.510e+00 2.014e+00 0.654 0.304 -0.350 31.86 Na 4.510e+00 Na+ 4.510e+00 5.527e+00 0.654 0.742 0.088 0.90 - NaOH 2.769e-17 7.822e-17 -16.558 -16.107 0.451 (0) O(0) 5.171e-07 O2 2.585e-07 7.304e-07 -6.587 -6.136 0.451 30.40 @@ -8397,7 +8306,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.991e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.207e-13 + Electrical balance (eq) = 4.010e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8424,7 +8333,6 @@ N(5) 4.919e+00 NO3- 4.919e+00 2.172e+00 0.692 0.337 -0.355 31.99 Na 4.919e+00 Na+ 4.919e+00 6.464e+00 0.692 0.811 0.119 1.00 - NaOH 2.858e-17 8.870e-17 -16.544 -16.052 0.492 (0) O(0) 4.978e-07 O2 2.489e-07 7.726e-07 -6.604 -6.112 0.492 30.40 @@ -8483,7 +8391,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.975e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.059e-14 + Electrical balance (eq) = -3.751e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8510,7 +8418,6 @@ N(5) 5.000e+00 NO3- 5.000e+00 2.203e+00 0.699 0.343 -0.356 32.01 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 2.873e-17 9.086e-17 -16.542 -16.042 0.500 (0) O(0) 4.939e-07 O2 2.469e-07 7.809e-07 -6.607 -6.107 0.500 30.40 @@ -8569,7 +8476,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.924e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.614e-15 + Electrical balance (eq) = 9.525e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8596,7 +8503,6 @@ N(5) 5.261e+00 NO3- 5.261e+00 2.303e+00 0.721 0.362 -0.359 32.09 Na 5.261e+00 Na+ 5.261e+00 7.334e+00 0.721 0.865 0.144 1.08 - NaOH 2.919e-17 9.803e-17 -16.535 -16.009 0.526 (0) O(0) 4.810e-07 O2 2.405e-07 8.077e-07 -6.619 -6.093 0.526 30.40 @@ -8655,7 +8561,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.860e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.411e-12 + Electrical balance (eq) = 2.412e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8682,7 +8588,6 @@ N(5) 5.584e+00 NO3- 5.584e+00 2.426e+00 0.747 0.385 -0.362 32.18 Na 5.584e+00 Na+ 5.584e+00 8.233e+00 0.747 0.916 0.169 1.16 - NaOH 2.967e-17 1.073e-16 -16.528 -15.969 0.558 (0) O(0) 4.649e-07 O2 2.325e-07 8.409e-07 -6.634 -6.075 0.558 30.40 @@ -8741,8 +8646,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.777e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.976e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.154e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 7.348018e+01 @@ -8768,7 +8673,6 @@ N(5) 5.991e+00 NO3- 5.991e+00 2.580e+00 0.778 0.412 -0.366 32.30 Na 5.991e+00 Na+ 5.991e+00 9.488e+00 0.778 0.977 0.200 1.25 - NaOH 3.015e-17 1.198e-16 -16.521 -15.922 0.599 (0) O(0) 4.444e-07 O2 2.222e-07 8.827e-07 -6.653 -6.054 0.599 30.40 @@ -8827,7 +8731,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.776e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.271e-13 + Electrical balance (eq) = -2.795e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -8854,7 +8758,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.583e+00 0.778 0.412 -0.366 32.30 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 3.016e-17 1.201e-16 -16.521 -15.921 0.600 (0) O(0) 4.439e-07 O2 2.220e-07 8.836e-07 -6.654 -6.054 0.600 30.40 @@ -8913,7 +8816,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.734e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.487e-16 + Electrical balance (eq) = -1.016e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -8940,7 +8843,6 @@ N(5) 6.207e+00 NO3- 6.207e+00 2.661e+00 0.793 0.425 -0.368 32.36 Na 6.207e+00 Na+ 6.207e+00 1.021e+01 0.793 1.009 0.216 1.30 - NaOH 3.035e-17 1.267e-16 -16.518 -15.897 0.621 (0) O(0) 4.334e-07 O2 2.167e-07 9.049e-07 -6.664 -6.043 0.621 30.40 @@ -8999,8 +8901,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.684e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.908e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -7.395e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 7.486210e+01 @@ -9026,7 +8928,6 @@ N(5) 6.452e+00 NO3- 6.452e+00 2.753e+00 0.810 0.440 -0.370 32.43 Na 6.452e+00 Na+ 6.452e+00 1.108e+01 0.810 1.045 0.235 1.35 - NaOH 3.054e-17 1.349e-16 -16.515 -15.870 0.645 (0) O(0) 4.211e-07 O2 2.105e-07 9.300e-07 -6.677 -6.031 0.645 30.40 @@ -9085,7 +8986,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.615e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.205e-13 + Electrical balance (eq) = 2.313e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -9112,7 +9013,6 @@ N(5) 6.794e+00 NO3- 6.794e+00 2.881e+00 0.832 0.460 -0.373 32.52 Na 6.794e+00 Na+ 6.794e+00 1.240e+01 0.832 1.093 0.261 1.42 - NaOH 3.074e-17 1.469e-16 -16.512 -15.833 0.679 (0) O(0) 4.039e-07 O2 2.019e-07 9.652e-07 -6.695 -6.015 0.679 30.40 @@ -9171,7 +9071,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.538e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.262e-13 + Electrical balance (eq) = 4.932e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -9198,7 +9098,6 @@ N(5) 7.186e+00 NO3- 7.186e+00 3.027e+00 0.856 0.481 -0.375 32.62 Na 7.186e+00 Na+ 7.186e+00 1.406e+01 0.856 1.148 0.292 1.50 - NaOH 3.089e-17 1.616e-16 -16.510 -15.792 0.719 (0) O(0) 3.844e-07 O2 1.922e-07 1.005e-06 -6.716 -5.998 0.719 30.40 @@ -9257,7 +9156,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.472e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-12 + Electrical balance (eq) = 1.132e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -9284,7 +9183,6 @@ N(5) 7.520e+00 NO3- 7.520e+00 3.151e+00 0.876 0.498 -0.378 32.71 Na 7.520e+00 Na+ 7.520e+00 1.562e+01 0.876 1.194 0.317 1.57 - NaOH 3.095e-17 1.748e-16 -16.509 -15.757 0.752 (0) O(0) 3.681e-07 O2 1.840e-07 1.040e-06 -6.735 -5.983 0.752 30.40 @@ -9343,7 +9241,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.453e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.430e-12 + Electrical balance (eq) = 3.304e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -9370,7 +9268,6 @@ N(5) 7.619e+00 NO3- 7.619e+00 3.188e+00 0.882 0.503 -0.378 32.74 Na 7.619e+00 Na+ 7.619e+00 1.611e+01 0.882 1.207 0.325 1.59 - NaOH 3.096e-17 1.789e-16 -16.509 -15.747 0.762 (0) O(0) 3.633e-07 O2 1.817e-07 1.050e-06 -6.741 -5.979 0.762 30.40 @@ -9429,7 +9326,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.396e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.035e-12 + Electrical balance (eq) = 1.904e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -9456,7 +9353,6 @@ N(5) 7.917e+00 NO3- 7.917e+00 3.297e+00 0.899 0.518 -0.380 32.81 Na 7.917e+00 Na+ 7.917e+00 1.766e+01 0.899 1.247 0.348 1.65 - NaOH 3.096e-17 1.916e-16 -16.509 -15.718 0.792 (0) O(0) 3.491e-07 O2 1.746e-07 1.080e-06 -6.758 -5.966 0.792 30.40 @@ -9515,7 +9411,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.324e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.852e-14 + Electrical balance (eq) = 1.972e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -9542,7 +9438,6 @@ N(5) 8.305e+00 NO3- 8.305e+00 3.440e+00 0.919 0.537 -0.383 32.91 Na 8.305e+00 Na+ 8.305e+00 1.986e+01 0.919 1.298 0.379 1.72 - NaOH 3.091e-17 2.092e-16 -16.510 -15.679 0.830 (0) O(0) 3.310e-07 O2 1.655e-07 1.120e-06 -6.781 -5.951 0.830 30.40 @@ -9601,9 +9496,9 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.236e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.498e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Electrical balance (eq) = 8.754e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 8.188009e+01 @@ -9628,7 +9523,6 @@ N(5) 8.791e+00 NO3- 8.791e+00 3.618e+00 0.944 0.558 -0.386 33.03 Na 8.791e+00 Na+ 8.791e+00 2.296e+01 0.944 1.361 0.417 1.81 - NaOH 3.077e-17 2.329e-16 -16.512 -15.633 0.879 (0) O(0) 3.091e-07 O2 1.545e-07 1.170e-06 -6.811 -5.932 0.879 30.40 @@ -9687,8 +9581,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.161e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.580e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.359e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 8.317822e+01 @@ -9714,7 +9608,6 @@ N(5) 9.224e+00 NO3- 9.224e+00 3.776e+00 0.965 0.577 -0.388 33.14 Na 9.224e+00 Na+ 9.224e+00 2.605e+01 0.965 1.416 0.451 1.89 - NaOH 3.058e-17 2.558e-16 -16.514 -15.592 0.922 (0) O(0) 2.903e-07 O2 1.452e-07 1.214e-06 -6.838 -5.916 0.922 30.40 @@ -9773,8 +9666,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.155e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.074e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 9.433e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 8.328559e+01 @@ -9800,7 +9693,6 @@ N(5) 9.260e+00 NO3- 9.260e+00 3.789e+00 0.967 0.578 -0.388 33.15 Na 9.260e+00 Na+ 9.260e+00 2.632e+01 0.967 1.420 0.454 1.90 - NaOH 3.057e-17 2.578e-16 -16.515 -15.589 0.926 (0) O(0) 2.888e-07 O2 1.444e-07 1.218e-06 -6.840 -5.914 0.926 30.40 @@ -9859,8 +9751,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.039e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.020e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 7.208e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 8.541520e+01 @@ -9886,7 +9778,6 @@ N(5) 9.970e+00 NO3- 9.970e+00 4.046e+00 0.999 0.607 -0.392 33.32 Na 9.970e+00 Na+ 9.970e+00 3.224e+01 0.999 1.508 0.510 2.02 - NaOH 3.017e-17 2.996e-16 -16.520 -15.524 0.997 (0) O(0) 2.597e-07 O2 1.299e-07 1.290e-06 -6.887 -5.890 0.997 30.40 @@ -9945,9 +9836,9 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.384e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.209e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Electrical balance (eq) = 1.470e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 13 Total H = 1.110124e+02 Total O = 8.739064e+01 @@ -9972,7 +9863,6 @@ N(5) 1.063e+01 NO3- 1.063e+01 4.283e+00 1.026 0.632 -0.395 33.47 Na 1.063e+01 Na+ 1.063e+01 3.875e+01 1.026 1.588 0.562 2.14 - NaOH 2.971e-17 3.433e-16 -16.527 -15.464 1.063 (0) O(0) 2.346e-07 O2 1.173e-07 1.356e-06 -6.931 -5.868 1.063 30.40 @@ -10031,9 +9921,9 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.198e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.047e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Electrical balance (eq) = -2.861e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 Total H = 1.110124e+02 Total O = 8.777224e+01 @@ -10058,7 +9948,6 @@ N(5) 1.076e+01 NO3- 1.076e+01 4.329e+00 1.032 0.636 -0.395 33.50 Na 1.076e+01 Na+ 1.076e+01 4.014e+01 1.032 1.604 0.572 2.16 - NaOH 2.961e-17 3.524e-16 -16.529 -15.453 1.076 (0) O(0) 2.300e-07 O2 1.150e-07 1.368e-06 -6.939 -5.864 1.076 30.40 @@ -10117,7 +10006,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 8.478e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.049e-14 + Electrical balance (eq) = 5.617e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10144,7 +10033,6 @@ N(5) 1.127e+01 NO3- 1.127e+01 4.513e+00 1.052 0.654 -0.397 33.62 Na 1.127e+01 Na+ 1.127e+01 4.618e+01 1.052 1.664 0.613 2.24 - NaOH 2.920e-17 3.910e-16 -16.535 -15.408 1.127 (0) O(0) 2.120e-07 O2 1.060e-07 1.419e-06 -6.975 -5.848 1.127 30.40 @@ -10337,7 +10225,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 4.025e-02 -1.301 -1.395 -0.094 30.12 Na 5.000e-02 Na+ 5.000e-02 4.117e-02 -1.301 -1.385 -0.084 -0.97 - NaOH 6.527e-19 6.603e-19 -18.185 -18.180 0.005 (0) O(0) 2.270e-07 O2 1.135e-07 1.148e-07 -6.945 -6.940 0.005 30.77 @@ -10396,7 +10283,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.232e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 1.794e-15 + Electrical balance (eq) = 1.815e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 21 Total H = 1.110124e+02 @@ -10423,7 +10310,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.517e-02 -1.000 -1.124 -0.124 30.21 Na 1.000e-01 Na+ 1.000e-01 7.835e-02 -1.000 -1.106 -0.106 -0.86 - NaOH 1.317e-18 1.348e-18 -17.880 -17.870 0.010 (0) O(0) 3.080e-07 O2 1.540e-07 1.576e-07 -6.813 -6.803 0.010 30.77 @@ -10482,7 +10368,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.232e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -1.919e-15 + Electrical balance (eq) = -3.607e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 23 Total H = 1.110124e+02 @@ -10509,7 +10395,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.517e-02 -1.000 -1.124 -0.124 30.21 Na 1.000e-01 Na+ 1.000e-01 7.835e-02 -1.000 -1.106 -0.106 -0.86 - NaOH 1.317e-18 1.348e-18 -17.880 -17.870 0.010 (0) O(0) 3.080e-07 O2 1.540e-07 1.576e-07 -6.813 -6.803 0.010 30.77 @@ -10568,8 +10453,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.633e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 1.111e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -5.471e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 23 Total H = 1.110124e+02 Total O = 5.610346e+01 @@ -10595,7 +10480,6 @@ N(5) 1.991e-01 NO3- 1.991e-01 1.379e-01 -0.701 -0.860 -0.159 30.34 Na 1.991e-01 Na+ 1.991e-01 1.485e-01 -0.701 -0.828 -0.127 -0.70 - NaOH 2.624e-18 2.747e-18 -17.581 -17.561 0.020 (0) O(0) 4.082e-07 O2 2.041e-07 2.137e-07 -6.690 -6.670 0.020 30.77 @@ -10654,7 +10538,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.731e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -5.818e-15 + Electrical balance (eq) = -2.020e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 @@ -10681,7 +10565,6 @@ N(5) 2.315e-01 NO3- 2.315e-01 1.573e-01 -0.635 -0.803 -0.168 30.38 Na 2.315e-01 Na+ 2.315e-01 1.711e-01 -0.635 -0.767 -0.131 -0.66 - NaOH 3.048e-18 3.215e-18 -17.516 -17.493 0.023 (0) O(0) 4.327e-07 O2 2.164e-07 2.282e-07 -6.665 -6.642 0.023 30.77 @@ -10740,7 +10623,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.914e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -6.479e-15 + Electrical balance (eq) = -1.535e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 @@ -10767,7 +10650,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.986e-01 -0.519 -0.702 -0.183 30.45 Na 3.030e-01 Na+ 3.030e-01 2.205e-01 -0.519 -0.657 -0.138 -0.59 - NaOH 3.971e-18 4.258e-18 -17.401 -17.371 0.030 (0) O(0) 4.784e-07 O2 2.392e-07 2.565e-07 -6.621 -6.591 0.030 30.77 @@ -10826,7 +10708,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.011e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 1.763e-16 + Electrical balance (eq) = 1.871e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 @@ -10853,7 +10735,6 @@ N(5) 3.481e-01 NO3- 3.481e-01 2.238e-01 -0.458 -0.650 -0.192 30.49 Na 3.481e-01 Na+ 3.481e-01 2.517e-01 -0.458 -0.599 -0.141 -0.54 - NaOH 4.547e-18 4.927e-18 -17.342 -17.307 0.035 (0) O(0) 5.028e-07 O2 2.514e-07 2.724e-07 -6.600 -6.565 0.035 30.77 @@ -10912,7 +10793,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.273e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -1.012e-14 + Electrical balance (eq) = -1.981e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 @@ -10939,7 +10820,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.053e-01 -0.301 -0.515 -0.214 30.61 Na 5.000e-01 Na+ 5.000e-01 3.576e-01 -0.301 -0.447 -0.146 -0.42 - NaOH 6.445e-18 7.231e-18 -17.191 -17.141 0.050 (0) O(0) 5.682e-07 O2 2.841e-07 3.188e-07 -6.547 -6.497 0.050 30.77 @@ -10998,8 +10878,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.381e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -9.444e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.126e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 Total O = 5.724622e+01 @@ -11025,7 +10905,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.466e-01 -0.237 -0.460 -0.224 30.67 Na 5.800e-01 Na+ 5.800e-01 4.143e-01 -0.237 -0.383 -0.146 -0.36 - NaOH 7.418e-18 8.478e-18 -17.130 -17.072 0.058 (0) O(0) 5.952e-07 O2 2.976e-07 3.401e-07 -6.526 -6.468 0.058 30.77 @@ -11084,8 +10963,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.396e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 6.695e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.862e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 Total O = 5.728228e+01 @@ -11111,7 +10990,6 @@ N(5) 5.920e-01 NO3- 5.920e-01 3.527e-01 -0.228 -0.453 -0.225 30.67 Na 5.920e-01 Na+ 5.920e-01 4.229e-01 -0.228 -0.374 -0.146 -0.35 - NaOH 7.563e-18 8.667e-18 -17.121 -17.062 0.059 (0) O(0) 5.990e-07 O2 2.995e-07 3.432e-07 -6.524 -6.464 0.059 30.77 @@ -11170,7 +11048,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.682e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -2.187e-14 + Electrical balance (eq) = -2.167e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 @@ -11197,7 +11075,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 5.000e-01 -0.050 -0.301 -0.251 30.86 Na 8.920e-01 Na+ 8.920e-01 6.447e-01 -0.050 -0.191 -0.141 -0.17 - NaOH 1.103e-17 1.355e-17 -16.957 -16.868 0.089 (0) O(0) 6.706e-07 O2 3.353e-07 4.117e-07 -6.475 -6.385 0.089 30.77 @@ -11256,7 +11133,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.712e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 1.539e-14 + Electrical balance (eq) = 1.209e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 @@ -11283,7 +11160,6 @@ N(5) 9.338e-01 NO3- 9.338e-01 5.199e-01 -0.030 -0.284 -0.254 30.88 Na 9.338e-01 Na+ 9.338e-01 6.769e-01 -0.030 -0.170 -0.140 -0.14 - NaOH 1.150e-17 1.425e-17 -16.939 -16.846 0.093 (0) O(0) 6.780e-07 O2 3.390e-07 4.203e-07 -6.470 -6.376 0.093 30.77 @@ -11342,8 +11218,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.756e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 6.659e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -9.856e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 Total O = 5.850622e+01 @@ -11369,7 +11245,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.510e-01 -0.000 -0.259 -0.259 30.91 Na 1.000e+00 Na+ 1.000e+00 7.285e-01 0.000 -0.138 -0.138 -0.11 - NaOH 1.222e-17 1.538e-17 -16.913 -16.813 0.100 (0) O(0) 6.889e-07 O2 3.444e-07 4.336e-07 -6.463 -6.363 0.100 30.77 @@ -11428,8 +11303,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.048e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 2.703e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -4.828e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 Total O = 6.135850e+01 @@ -11455,7 +11330,6 @@ N(5) 1.951e+00 NO3- 1.951e+00 9.733e-01 0.290 -0.012 -0.302 31.33 Na 1.951e+00 Na+ 1.951e+00 1.586e+00 0.290 0.200 -0.090 0.29 - NaOH 2.121e-17 3.324e-17 -16.673 -16.478 0.195 (0) O(0) 7.620e-07 O2 3.810e-07 5.970e-07 -6.419 -6.224 0.195 30.77 @@ -11514,7 +11388,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.052e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -2.938e-14 + Electrical balance (eq) = -6.160e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 @@ -11541,7 +11415,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.942e-01 0.301 -0.003 -0.304 31.35 Na 2.000e+00 Na+ 2.000e+00 1.637e+00 0.301 0.214 -0.087 0.31 - NaOH 2.161e-17 3.425e-17 -16.665 -16.465 0.200 (0) O(0) 7.630e-07 O2 3.815e-07 6.046e-07 -6.419 -6.219 0.200 30.77 @@ -11600,8 +11473,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.013e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -7.640e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.199e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 6.450622e+01 @@ -11627,7 +11500,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.407e+00 0.477 0.148 -0.329 31.69 Na 3.000e+00 Na+ 3.000e+00 2.853e+00 0.477 0.455 -0.022 0.62 - NaOH 2.840e-17 5.667e-17 -16.547 -16.247 0.300 (0) O(0) 7.533e-07 O2 3.766e-07 7.515e-07 -6.424 -6.124 0.300 30.77 @@ -11686,7 +11558,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.993e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -6.842e-14 + Electrical balance (eq) = -6.789e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -11713,7 +11585,6 @@ N(5) 3.145e+00 NO3- 3.145e+00 1.466e+00 0.498 0.166 -0.332 31.74 Na 3.145e+00 Na+ 3.145e+00 3.060e+00 0.498 0.486 -0.012 0.67 - NaOH 2.920e-17 6.023e-17 -16.535 -16.220 0.314 (0) O(0) 7.484e-07 O2 3.742e-07 7.719e-07 -6.427 -6.112 0.314 30.77 @@ -11772,8 +11643,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.846e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = -2.268e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 4.202e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.738322e+01 @@ -11799,7 +11670,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.788e+00 0.598 0.252 -0.345 31.97 Na 3.959e+00 Na+ 3.959e+00 4.401e+00 0.598 0.644 0.046 0.88 - NaOH 3.291e-17 8.188e-17 -16.483 -16.087 0.396 (0) O(0) 7.114e-07 O2 3.557e-07 8.851e-07 -6.449 -6.053 0.396 30.77 @@ -11858,8 +11728,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.340e-07 Temperature (°C) = 30.00 - Electrical balance (eq) = 5.377e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -4.442e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 7.350622e+01 @@ -11885,7 +11755,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.568e+00 0.778 0.410 -0.369 32.49 Na 6.000e+00 Na+ 6.000e+00 9.472e+00 0.778 0.976 0.198 1.34 - NaOH 3.773e-17 1.502e-16 -16.423 -15.823 0.600 (0) O(0) 5.851e-07 O2 2.925e-07 1.165e-06 -6.534 -5.934 0.600 30.77 @@ -12051,7 +11920,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.814e-08 Temperature (°C) = 35.00 - Electrical balance (eq) = -7.113e-17 + Electrical balance (eq) = -5.670e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -12078,7 +11947,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.324e-02 -1.821 -1.878 -0.057 30.40 Na 1.509e-02 Na+ 1.509e-02 1.334e-02 -1.821 -1.875 -0.053 -0.89 - NaOH 2.342e-19 2.350e-19 -18.630 -18.629 0.002 (0) O(0) 1.704e-07 O2 8.518e-08 8.548e-08 -7.070 -7.068 0.002 31.10 @@ -12137,7 +12005,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.484e-08 Temperature (°C) = 35.00 - Electrical balance (eq) = -4.156e-16 + Electrical balance (eq) = -9.093e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.110124e+02 @@ -12164,7 +12032,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.527e-02 -1.520 -1.597 -0.077 30.45 Na 3.017e-02 Na+ 3.017e-02 2.564e-02 -1.520 -1.591 -0.071 -0.83 - NaOH 4.771e-19 4.804e-19 -18.321 -18.318 0.003 (0) O(0) 2.371e-07 O2 1.185e-07 1.194e-07 -6.926 -6.923 0.003 31.10 @@ -12223,8 +12090,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.195e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = -1.141e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 4.772e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 22 Total H = 1.110124e+02 Total O = 5.565622e+01 @@ -12250,7 +12117,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 4.017e-02 -1.301 -1.396 -0.095 30.50 Na 5.000e-02 Na+ 5.000e-02 4.110e-02 -1.301 -1.386 -0.085 -0.76 - NaOH 8.010e-19 8.103e-19 -18.096 -18.091 0.005 (0) O(0) 2.987e-07 O2 1.493e-07 1.511e-07 -6.826 -6.821 0.005 31.10 @@ -12309,7 +12175,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.299e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.862e-16 + Electrical balance (eq) = 1.276e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -12336,7 +12202,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.768e-02 -1.219 -1.322 -0.103 30.53 Na 6.039e-02 Na+ 6.039e-02 4.898e-02 -1.219 -1.310 -0.091 -0.73 - NaOH 9.717e-19 9.853e-19 -18.012 -18.006 0.006 (0) O(0) 3.248e-07 O2 1.624e-07 1.647e-07 -6.789 -6.783 0.006 31.10 @@ -12395,7 +12260,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.615e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = -1.904e-15 + Electrical balance (eq) = -1.913e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 23 Total H = 1.110124e+02 @@ -12422,7 +12287,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.498e-02 -1.000 -1.125 -0.125 30.60 Na 1.000e-01 Na+ 1.000e-01 7.817e-02 -1.000 -1.107 -0.107 -0.65 - NaOH 1.625e-18 1.663e-18 -17.789 -17.779 0.010 (0) O(0) 4.037e-07 O2 2.019e-07 2.066e-07 -6.695 -6.685 0.010 31.10 @@ -12481,7 +12345,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.747e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = 1.494e-15 + Electrical balance (eq) = 3.472e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -12508,7 +12372,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.867e-02 -0.918 -1.052 -0.134 30.63 Na 1.208e-01 Na+ 1.208e-01 9.312e-02 -0.918 -1.031 -0.113 -0.61 - NaOH 1.968e-18 2.023e-18 -17.706 -17.694 0.012 (0) O(0) 4.367e-07 O2 2.184e-07 2.245e-07 -6.661 -6.649 0.012 31.10 @@ -12567,7 +12430,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.330e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = -5.031e-15 + Electrical balance (eq) = -9.424e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 23 Total H = 1.110124e+02 @@ -12594,7 +12457,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.684e-01 -0.600 -0.774 -0.174 30.78 Na 2.514e-01 Na+ 2.514e-01 1.843e-01 -0.600 -0.734 -0.135 -0.44 - NaOH 4.104e-18 4.349e-18 -17.387 -17.362 0.025 (0) O(0) 5.826e-07 O2 2.913e-07 3.087e-07 -6.536 -6.511 0.025 31.10 @@ -12653,7 +12515,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.958e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = -4.856e-15 + Electrical balance (eq) = -4.670e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 @@ -12680,7 +12542,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.041e-01 -0.301 -0.517 -0.216 30.99 Na 5.000e-01 Na+ 5.000e-01 3.564e-01 -0.301 -0.448 -0.147 -0.23 - NaOH 8.030e-18 9.010e-18 -17.095 -17.045 0.050 (0) O(0) 7.395e-07 O2 3.698e-07 4.149e-07 -6.432 -6.382 0.050 31.10 @@ -12739,8 +12600,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.960e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.571e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -5.531e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 Total O = 5.700922e+01 @@ -12766,7 +12627,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 3.046e-01 -0.300 -0.516 -0.216 30.99 Na 5.010e-01 Na+ 5.010e-01 3.571e-01 -0.300 -0.447 -0.147 -0.23 - NaOH 8.046e-18 9.029e-18 -17.094 -17.044 0.050 (0) O(0) 7.400e-07 O2 3.700e-07 4.152e-07 -6.432 -6.382 0.050 31.10 @@ -12825,7 +12685,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.579e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = -1.080e-14 + Electrical balance (eq) = -1.061e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110124e+02 @@ -12852,7 +12712,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.485e-01 -0.000 -0.261 -0.261 31.28 Na 1.000e+00 Na+ 1.000e+00 7.257e-01 0.000 -0.139 -0.139 0.06 - NaOH 1.526e-17 1.921e-17 -16.816 -16.716 0.100 (0) O(0) 8.947e-07 O2 4.474e-07 5.632e-07 -6.349 -6.249 0.100 31.10 @@ -12911,8 +12770,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.960e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = 2.494e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -7.578e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 Total O = 6.150622e+01 @@ -12938,7 +12797,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.889e-01 0.301 -0.005 -0.306 31.67 Na 2.000e+00 Na+ 2.000e+00 1.630e+00 0.301 0.212 -0.089 0.45 - NaOH 2.700e-17 4.279e-17 -16.569 -16.369 0.200 (0) O(0) 9.900e-07 O2 4.950e-07 7.845e-07 -6.305 -6.105 0.200 31.10 @@ -12997,7 +12855,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.910e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = -7.620e-14 + Electrical balance (eq) = -2.694e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 @@ -13024,7 +12882,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.399e+00 0.477 0.146 -0.331 31.97 Na 3.000e+00 Na+ 3.000e+00 2.840e+00 0.477 0.453 -0.024 0.75 - NaOH 3.546e-17 7.074e-17 -16.450 -16.150 0.300 (0) O(0) 9.777e-07 O2 4.888e-07 9.753e-07 -6.311 -6.011 0.300 31.10 @@ -13083,7 +12940,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.696e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = -2.189e-13 + Electrical balance (eq) = -2.459e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110124e+02 @@ -13110,7 +12967,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.778e+00 0.598 0.250 -0.348 32.21 Na 3.959e+00 Na+ 3.959e+00 4.380e+00 0.598 0.641 0.044 0.99 - NaOH 4.101e-17 1.020e-16 -16.387 -15.991 0.396 (0) O(0) 9.240e-07 O2 4.620e-07 1.150e-06 -6.335 -5.939 0.396 31.10 @@ -13169,7 +13025,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.046e-07 Temperature (°C) = 35.00 - Electrical balance (eq) = 7.014e-14 + Electrical balance (eq) = 6.648e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 25 Total H = 1.110124e+02 @@ -13196,7 +13052,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.552e+00 0.778 0.407 -0.371 32.62 Na 6.000e+00 Na+ 6.000e+00 9.426e+00 0.778 0.974 0.196 1.41 - NaOH 4.680e-17 1.863e-16 -16.330 -15.730 0.600 (0) O(0) 7.617e-07 O2 3.808e-07 1.516e-06 -6.419 -5.819 0.600 31.10 @@ -13362,7 +13217,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.092e-07 Temperature (°C) = 40.00 - Electrical balance (eq) = -4.544e-15 + Electrical balance (eq) = -1.268e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.110124e+02 @@ -13389,7 +13244,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.479e-02 -1.000 -1.126 -0.126 30.93 Na 1.000e-01 Na+ 1.000e-01 7.799e-02 -1.000 -1.108 -0.108 -0.47 - NaOH 1.990e-18 2.036e-18 -17.701 -17.691 0.010 (0) O(0) 5.230e-07 O2 2.615e-07 2.676e-07 -6.583 -6.573 0.010 31.40 @@ -13448,7 +13302,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.216e-07 Temperature (°C) = 40.00 - Electrical balance (eq) = -4.306e-15 + Electrical balance (eq) = -9.403e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -13475,7 +13329,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.972e-01 -0.519 -0.705 -0.187 31.17 Na 3.030e-01 Na+ 3.030e-01 2.192e-01 -0.519 -0.659 -0.141 -0.22 - NaOH 6.087e-18 6.527e-18 -17.216 -17.185 0.030 (0) O(0) 8.040e-07 O2 4.020e-07 4.311e-07 -6.396 -6.365 0.030 31.40 @@ -13534,7 +13387,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.982e-07 Temperature (°C) = 40.00 - Electrical balance (eq) = -3.850e-15 + Electrical balance (eq) = -3.841e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -13561,7 +13414,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.437e-01 -0.237 -0.464 -0.227 31.37 Na 5.800e-01 Na+ 5.800e-01 4.113e-01 -0.237 -0.386 -0.149 -0.01 - NaOH 1.144e-17 1.307e-17 -16.942 -16.884 0.058 (0) O(0) 9.956e-07 O2 4.978e-07 5.689e-07 -6.303 -6.245 0.058 31.40 @@ -13620,7 +13472,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.476e-07 Temperature (°C) = 40.00 - Electrical balance (eq) = 8.702e-15 + Electrical balance (eq) = 8.804e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -13647,7 +13499,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 4.953e-01 -0.050 -0.305 -0.255 31.54 Na 8.920e-01 Na+ 8.920e-01 6.397e-01 -0.050 -0.194 -0.144 0.16 - NaOH 1.706e-17 2.095e-17 -16.768 -16.679 0.089 (0) O(0) 1.119e-06 O2 5.595e-07 6.870e-07 -6.252 -6.163 0.089 31.40 @@ -13813,7 +13664,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.153e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -7.584e-17 + Electrical balance (eq) = -7.576e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -13840,7 +13691,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.321e-02 -1.821 -1.879 -0.058 31.02 Na 1.509e-02 Na+ 1.509e-02 1.331e-02 -1.821 -1.876 -0.055 -0.54 - NaOH 3.390e-19 3.401e-19 -18.470 -18.468 0.002 (0) O(0) 2.882e-07 O2 1.441e-07 1.446e-07 -6.841 -6.840 0.002 31.67 @@ -13899,7 +13749,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.593e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -3.868e-17 + Electrical balance (eq) = -3.885e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -13926,7 +13776,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.519e-02 -1.520 -1.599 -0.078 31.07 Na 3.017e-02 Na+ 3.017e-02 2.556e-02 -1.520 -1.592 -0.072 -0.48 - NaOH 6.979e-19 7.028e-19 -18.156 -18.153 0.003 (0) O(0) 3.983e-07 O2 1.992e-07 2.006e-07 -6.701 -6.698 0.003 31.67 @@ -13985,7 +13834,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.997e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.404e-15 + Electrical balance (eq) = 5.866e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 19 Total H = 1.110124e+02 @@ -14012,7 +13861,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 4.001e-02 -1.301 -1.398 -0.097 31.13 Na 5.000e-02 Na+ 5.000e-02 4.095e-02 -1.301 -1.388 -0.087 -0.41 - NaOH 1.181e-18 1.195e-18 -17.928 -17.923 0.005 (0) O(0) 4.992e-07 O2 2.496e-07 2.525e-07 -6.603 -6.598 0.005 31.67 @@ -14071,7 +13919,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.167e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = 4.991e-16 + Electrical balance (eq) = 5.234e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -14098,7 +13946,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.748e-02 -1.219 -1.324 -0.104 31.15 Na 6.039e-02 Na+ 6.039e-02 4.879e-02 -1.219 -1.312 -0.093 -0.39 - NaOH 1.437e-18 1.457e-18 -17.843 -17.837 0.006 (0) O(0) 5.418e-07 O2 2.709e-07 2.747e-07 -6.567 -6.561 0.006 31.67 @@ -14157,7 +14004,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.680e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = 3.320e-15 + Electrical balance (eq) = 1.677e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -14184,7 +14031,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.459e-02 -1.000 -1.127 -0.127 31.23 Na 1.000e-01 Na+ 1.000e-01 7.781e-02 -1.000 -1.109 -0.109 -0.31 - NaOH 2.420e-18 2.477e-18 -17.616 -17.606 0.010 (0) O(0) 6.699e-07 O2 3.350e-07 3.428e-07 -6.475 -6.465 0.010 31.67 @@ -14243,7 +14089,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.893e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = 1.669e-15 + Electrical balance (eq) = 3.642e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -14270,7 +14116,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.818e-02 -0.918 -1.055 -0.137 31.26 Na 1.208e-01 Na+ 1.208e-01 9.265e-02 -0.918 -1.033 -0.115 -0.27 - NaOH 2.939e-18 3.022e-18 -17.532 -17.520 0.012 (0) O(0) 7.234e-07 O2 3.617e-07 3.719e-07 -6.442 -6.430 0.012 31.67 @@ -14329,7 +14174,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.835e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -5.474e-15 + Electrical balance (eq) = -1.401e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -14356,7 +14201,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.672e-01 -0.600 -0.777 -0.177 31.41 Na 2.514e-01 Na+ 2.514e-01 1.832e-01 -0.600 -0.737 -0.137 -0.11 - NaOH 6.184e-18 6.553e-18 -17.209 -17.184 0.025 (0) O(0) 9.587e-07 O2 4.793e-07 5.079e-07 -6.319 -6.294 0.025 31.67 @@ -14415,7 +14259,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.843e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -2.514e-13 + Electrical balance (eq) = -2.595e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -14442,7 +14286,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.015e-01 -0.301 -0.521 -0.220 31.61 Na 5.000e-01 Na+ 5.000e-01 3.538e-01 -0.301 -0.451 -0.150 0.09 - NaOH 1.218e-17 1.366e-17 -16.915 -16.865 0.050 (0) O(0) 1.211e-06 O2 6.054e-07 6.792e-07 -6.218 -6.168 0.050 31.67 @@ -14501,7 +14344,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.846e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -2.438e-13 + Electrical balance (eq) = -2.519e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -14528,7 +14371,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 3.020e-01 -0.300 -0.520 -0.220 31.61 Na 5.010e-01 Na+ 5.010e-01 3.545e-01 -0.300 -0.450 -0.150 0.09 - NaOH 1.220e-17 1.369e-17 -16.914 -16.864 0.050 (0) O(0) 1.211e-06 O2 6.057e-07 6.798e-07 -6.218 -6.168 0.050 31.67 @@ -14587,7 +14429,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.838e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -1.084e-13 + Electrical balance (eq) = -7.577e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -14614,7 +14456,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.430e-01 -0.000 -0.265 -0.265 31.87 Na 1.000e+00 Na+ 1.000e+00 7.197e-01 0.000 -0.143 -0.143 0.35 - NaOH 2.323e-17 2.924e-17 -16.634 -16.534 0.100 (0) O(0) 1.460e-06 O2 7.298e-07 9.187e-07 -6.137 -6.037 0.100 31.67 @@ -14673,7 +14514,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.449e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -2.462e-14 + Electrical balance (eq) = -5.623e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -14700,7 +14541,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.776e-01 0.301 -0.010 -0.311 32.19 Na 2.000e+00 Na+ 2.000e+00 1.615e+00 0.301 0.208 -0.093 0.70 - NaOH 4.112e-17 6.516e-17 -16.386 -16.186 0.200 (0) O(0) 1.612e-06 O2 8.062e-07 1.278e-06 -6.094 -5.894 0.200 31.67 @@ -14759,7 +14599,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.371e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = 2.298e-14 + Electrical balance (eq) = 2.278e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -14786,7 +14626,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.382e+00 0.477 0.141 -0.337 32.40 Na 3.000e+00 Na+ 3.000e+00 2.812e+00 0.477 0.449 -0.028 0.95 - NaOH 5.388e-17 1.075e-16 -16.269 -15.969 0.300 (0) O(0) 1.593e-06 O2 7.964e-07 1.589e-06 -6.099 -5.799 0.300 31.67 @@ -14845,8 +14684,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.029e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = -1.039e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.584e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 Total O = 6.738322e+01 @@ -14872,7 +14711,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.755e+00 0.598 0.244 -0.353 32.54 Na 3.959e+00 Na+ 3.959e+00 4.336e+00 0.598 0.637 0.040 1.16 - NaOH 6.214e-17 1.546e-16 -16.207 -15.811 0.396 (0) O(0) 1.507e-06 O2 7.536e-07 1.875e-06 -6.123 -5.727 0.396 31.67 @@ -14931,7 +14769,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.991e-07 Temperature (°C) = 45.00 - Electrical balance (eq) = 9.863e-14 + Electrical balance (eq) = 9.491e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -14958,7 +14796,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.518e+00 0.778 0.401 -0.377 32.76 Na 6.000e+00 Na+ 6.000e+00 9.328e+00 0.778 0.970 0.192 1.53 - NaOH 7.031e-17 2.799e-16 -16.153 -15.553 0.600 (0) O(0) 1.248e-06 O2 6.239e-07 2.484e-06 -6.205 -5.605 0.600 31.67 @@ -15124,7 +14961,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.396e-07 Temperature (°C) = 50.00 - Electrical balance (eq) = -1.644e-15 + Electrical balance (eq) = -1.494e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -15151,7 +14988,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.439e-02 -1.000 -1.128 -0.128 31.48 Na 1.000e-01 Na+ 1.000e-01 7.761e-02 -1.000 -1.110 -0.110 -0.16 - NaOH 2.924e-18 2.992e-18 -17.534 -17.524 0.010 (0) O(0) 8.491e-07 O2 4.245e-07 4.344e-07 -6.372 -6.362 0.010 31.92 @@ -15210,7 +15046,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.172e-07 Temperature (°C) = 50.00 - Electrical balance (eq) = 5.611e-15 + Electrical balance (eq) = 5.595e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 22 Total H = 1.110124e+02 @@ -15237,7 +15073,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.957e-01 -0.519 -0.708 -0.190 31.72 Na 3.030e-01 Na+ 3.030e-01 2.177e-01 -0.519 -0.662 -0.144 0.08 - NaOH 9.056e-18 9.711e-18 -17.043 -17.013 0.030 (0) O(0) 1.293e-06 O2 6.465e-07 6.933e-07 -6.189 -6.159 0.030 31.92 @@ -15296,7 +15131,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.378e-07 Temperature (°C) = 50.00 - Electrical balance (eq) = 1.276e-14 + Electrical balance (eq) = 3.205e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 22 Total H = 1.110124e+02 @@ -15323,7 +15158,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.405e-01 -0.237 -0.468 -0.231 31.91 Na 5.800e-01 Na+ 5.800e-01 4.081e-01 -0.237 -0.389 -0.153 0.27 - NaOH 1.710e-17 1.954e-17 -16.767 -16.709 0.058 (0) O(0) 1.595e-06 O2 7.973e-07 9.112e-07 -6.098 -6.040 0.058 31.92 @@ -15382,7 +15216,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.153e-07 Temperature (°C) = 50.00 - Electrical balance (eq) = -3.818e-14 + Electrical balance (eq) = -2.328e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.110124e+02 @@ -15409,7 +15243,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 4.903e-01 -0.050 -0.310 -0.260 32.07 Na 8.920e-01 Na+ 8.920e-01 6.342e-01 -0.050 -0.198 -0.148 0.42 - NaOH 2.555e-17 3.138e-17 -16.593 -16.503 0.089 (0) O(0) 1.788e-06 O2 8.942e-07 1.098e-06 -6.049 -5.959 0.089 31.92 @@ -15575,7 +15408,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.868e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = 1.827e-16 + Electrical balance (eq) = 4.303e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 16 Total H = 1.110124e+02 @@ -15602,7 +15435,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.317e-02 -1.821 -1.880 -0.059 31.49 Na 1.509e-02 Na+ 1.509e-02 1.328e-02 -1.821 -1.877 -0.056 -0.27 - NaOH 4.782e-19 4.799e-19 -18.320 -18.319 0.002 (0) O(0) 4.671e-07 O2 2.336e-07 2.344e-07 -6.632 -6.630 0.002 32.16 @@ -15661,8 +15493,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.564e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -9.074e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 6.792e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 Total O = 5.559673e+01 @@ -15688,7 +15520,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.510e-02 -1.520 -1.600 -0.080 31.55 Na 3.017e-02 Na+ 3.017e-02 2.548e-02 -1.520 -1.594 -0.073 -0.20 - NaOH 9.952e-19 1.002e-18 -18.002 -17.999 0.003 (0) O(0) 6.411e-07 O2 3.205e-07 3.228e-07 -6.494 -6.491 0.003 32.16 @@ -15747,7 +15578,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.197e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = 9.785e-17 + Electrical balance (eq) = 9.279e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 21 Total H = 1.110124e+02 @@ -15774,7 +15605,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 3.984e-02 -1.301 -1.400 -0.099 31.61 Na 5.000e-02 Na+ 5.000e-02 4.078e-02 -1.301 -1.390 -0.088 -0.14 - NaOH 1.697e-18 1.716e-18 -17.770 -17.765 0.005 (0) O(0) 7.992e-07 O2 3.996e-07 4.043e-07 -6.398 -6.393 0.005 32.16 @@ -15833,7 +15663,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.463e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -2.549e-17 + Electrical balance (eq) = -2.740e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 21 Total H = 1.110124e+02 @@ -15860,7 +15690,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.725e-02 -1.219 -1.326 -0.107 31.63 Na 6.039e-02 Na+ 6.039e-02 4.858e-02 -1.219 -1.314 -0.095 -0.11 - NaOH 2.070e-18 2.099e-18 -17.684 -17.678 0.006 (0) O(0) 8.659e-07 O2 4.329e-07 4.390e-07 -6.364 -6.358 0.006 32.16 @@ -15919,8 +15748,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.261e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -9.418e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 6.589e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 21 Total H = 1.110124e+02 Total O = 5.580622e+01 @@ -15946,7 +15775,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.417e-02 -1.000 -1.130 -0.130 31.71 Na 1.000e-01 Na+ 1.000e-01 7.741e-02 -1.000 -1.111 -0.111 -0.03 - NaOH 3.510e-18 3.592e-18 -17.455 -17.445 0.010 (0) O(0) 1.065e-06 O2 5.327e-07 5.451e-07 -6.274 -6.264 0.010 32.16 @@ -16005,8 +15833,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.594e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = 5.479e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.418e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 21 Total H = 1.110124e+02 Total O = 5.586859e+01 @@ -16032,7 +15860,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.765e-02 -0.918 -1.057 -0.139 31.74 Na 1.208e-01 Na+ 1.208e-01 9.215e-02 -0.918 -1.036 -0.118 0.00 - NaOH 4.272e-18 4.393e-18 -17.369 -17.357 0.012 (0) O(0) 1.148e-06 O2 5.742e-07 5.904e-07 -6.241 -6.229 0.012 32.16 @@ -16091,7 +15918,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.052e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -8.760e-15 + Electrical balance (eq) = -4.769e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 21 Total H = 1.110124e+02 @@ -16118,7 +15945,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.660e-01 -0.600 -0.780 -0.180 31.90 Na 2.514e-01 Na+ 2.514e-01 1.820e-01 -0.600 -0.740 -0.140 0.15 - NaOH 9.058e-18 9.598e-18 -17.043 -17.018 0.025 (0) O(0) 1.513e-06 O2 7.565e-07 8.016e-07 -6.121 -6.096 0.025 32.16 @@ -16177,7 +16003,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.609e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = 2.335e-14 + Electrical balance (eq) = 1.536e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 22 Total H = 1.110124e+02 @@ -16204,7 +16030,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 2.987e-01 -0.301 -0.525 -0.224 32.09 Na 5.000e-01 Na+ 5.000e-01 3.510e-01 -0.301 -0.455 -0.154 0.34 - NaOH 1.792e-17 2.011e-17 -16.747 -16.697 0.050 (0) O(0) 1.902e-06 O2 9.512e-07 1.067e-06 -6.022 -5.972 0.050 32.16 @@ -16263,7 +16088,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.614e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -2.278e-15 + Electrical balance (eq) = -1.041e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.110124e+02 @@ -16290,7 +16115,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 2.993e-01 -0.300 -0.524 -0.224 32.09 Na 5.010e-01 Na+ 5.010e-01 3.517e-01 -0.300 -0.454 -0.154 0.34 - NaOH 1.796e-17 2.015e-17 -16.746 -16.696 0.050 (0) O(0) 1.903e-06 O2 9.517e-07 1.068e-06 -6.021 -5.971 0.050 32.16 @@ -16349,8 +16173,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.144e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -5.749e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.068e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 22 Total H = 1.110124e+02 Total O = 5.850622e+01 @@ -16376,7 +16200,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.371e-01 -0.000 -0.270 -0.270 32.32 Na 1.000e+00 Na+ 1.000e+00 7.132e-01 0.000 -0.147 -0.147 0.58 - NaOH 3.428e-17 4.315e-17 -16.465 -16.365 0.100 (0) O(0) 2.286e-06 O2 1.143e-06 1.439e-06 -5.942 -5.842 0.100 32.16 @@ -16435,7 +16258,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.009e-06 Temperature (°C) = 55.00 - Electrical balance (eq) = 2.463e-14 + Electrical balance (eq) = 5.676e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -16462,7 +16285,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.655e-01 0.301 -0.015 -0.316 32.57 Na 2.000e+00 Na+ 2.000e+00 1.599e+00 0.301 0.204 -0.097 0.89 - NaOH 6.066e-17 9.615e-17 -16.217 -16.017 0.200 (0) O(0) 2.522e-06 O2 1.261e-06 1.999e-06 -5.899 -5.699 0.200 32.16 @@ -16521,8 +16343,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.969e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = 3.589e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.389e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 23 Total H = 1.110124e+02 Total O = 6.450622e+01 @@ -16548,7 +16370,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.364e+00 0.477 0.135 -0.342 32.70 Na 3.000e+00 Na+ 3.000e+00 2.783e+00 0.477 0.444 -0.033 1.12 - NaOH 7.934e-17 1.583e-16 -16.100 -15.800 0.300 (0) O(0) 2.493e-06 O2 1.246e-06 2.487e-06 -5.904 -5.604 0.300 32.16 @@ -16607,8 +16428,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.443e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -1.366e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 4.961e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 Total O = 6.738322e+01 @@ -16634,7 +16455,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.731e+00 0.598 0.238 -0.359 32.76 Na 3.959e+00 Na+ 3.959e+00 4.289e+00 0.598 0.632 0.035 1.30 - NaOH 9.126e-17 2.271e-16 -16.040 -15.644 0.396 (0) O(0) 2.361e-06 O2 1.181e-06 2.938e-06 -5.928 -5.532 0.396 32.16 @@ -16693,7 +16513,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.845e-07 Temperature (°C) = 55.00 - Electrical balance (eq) = -3.936e-14 + Electrical balance (eq) = -4.214e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 23 Total H = 1.110124e+02 @@ -16720,7 +16540,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.482e+00 0.778 0.395 -0.383 32.78 Na 6.000e+00 Na+ 6.000e+00 9.222e+00 0.778 0.965 0.187 1.61 - NaOH 1.025e-16 4.080e-16 -15.989 -15.389 0.600 (0) O(0) 1.962e-06 O2 9.809e-07 3.905e-06 -6.008 -5.408 0.600 32.16 @@ -16886,7 +16705,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.296e-07 Temperature (°C) = 60.00 - Electrical balance (eq) = 9.550e-16 + Electrical balance (eq) = 2.589e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -16913,7 +16732,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.395e-02 -1.000 -1.131 -0.131 31.91 Na 1.000e-01 Na+ 1.000e-01 7.720e-02 -1.000 -1.112 -0.112 0.08 - NaOH 4.189e-18 4.286e-18 -17.378 -17.368 0.010 (0) O(0) 1.324e-06 O2 6.620e-07 6.775e-07 -6.179 -6.169 0.010 32.38 @@ -16972,7 +16790,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.998e-07 Temperature (°C) = 60.00 - Electrical balance (eq) = -1.679e-14 + Electrical balance (eq) = -1.167e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -16999,7 +16817,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.940e-01 -0.519 -0.712 -0.194 32.15 Na 3.030e-01 Na+ 3.030e-01 2.161e-01 -0.519 -0.665 -0.147 0.31 - NaOH 1.311e-17 1.405e-17 -16.883 -16.852 0.030 (0) O(0) 1.999e-06 O2 9.997e-07 1.072e-06 -6.000 -5.970 0.030 32.38 @@ -17058,8 +16875,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.827e-07 Temperature (°C) = 60.00 - Electrical balance (eq) = -5.638e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.817e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 Total O = 5.724622e+01 @@ -17085,7 +16902,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.371e-01 -0.237 -0.472 -0.236 32.34 Na 5.800e-01 Na+ 5.800e-01 4.047e-01 -0.237 -0.393 -0.156 0.49 - NaOH 2.483e-17 2.838e-17 -16.605 -16.547 0.058 (0) O(0) 2.457e-06 O2 1.228e-06 1.404e-06 -5.911 -5.853 0.058 32.38 @@ -17144,8 +16960,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.100e-06 Temperature (°C) = 60.00 - Electrical balance (eq) = -1.800e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.115e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 Total O = 5.818222e+01 @@ -17171,7 +16987,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 4.849e-01 -0.050 -0.314 -0.265 32.48 Na 8.920e-01 Na+ 8.920e-01 6.284e-01 -0.050 -0.202 -0.152 0.64 - NaOH 3.715e-17 4.562e-17 -16.430 -16.341 0.089 (0) O(0) 2.751e-06 O2 1.375e-06 1.689e-06 -5.862 -5.772 0.089 32.38 @@ -17337,8 +17152,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.913e-07 Temperature (°C) = 65.00 - Electrical balance (eq) = 1.704e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -3.230e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.110124e+02 Total O = 5.555149e+01 @@ -17364,7 +17179,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.313e-02 -1.821 -1.882 -0.060 31.85 Na 1.509e-02 Na+ 1.509e-02 1.324e-02 -1.821 -1.878 -0.057 -0.05 - NaOH 6.595e-19 6.618e-19 -18.181 -18.179 0.002 (0) O(0) 7.282e-07 O2 3.641e-07 3.653e-07 -6.439 -6.437 0.002 32.59 @@ -17423,7 +17237,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.969e-07 Temperature (°C) = 65.00 - Electrical balance (eq) = -3.188e-16 + Electrical balance (eq) = -8.158e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -17450,7 +17264,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.500e-02 -1.520 -1.602 -0.082 31.92 Na 3.017e-02 Na+ 3.017e-02 2.539e-02 -1.520 -1.595 -0.075 0.02 - NaOH 1.387e-18 1.396e-18 -17.858 -17.855 0.003 (0) O(0) 9.924e-07 O2 4.962e-07 4.996e-07 -6.304 -6.301 0.003 32.59 @@ -17509,7 +17322,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.325e-07 Temperature (°C) = 65.00 - Electrical balance (eq) = -4.426e-14 + Electrical balance (eq) = -4.424e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -17536,7 +17349,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.701e-02 -1.219 -1.328 -0.109 32.01 Na 6.039e-02 Na+ 6.039e-02 4.835e-02 -1.219 -1.316 -0.097 0.11 - NaOH 2.912e-18 2.953e-18 -17.536 -17.530 0.006 (0) O(0) 1.331e-06 O2 6.657e-07 6.750e-07 -6.177 -6.171 0.006 32.59 @@ -17595,7 +17407,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.021e-07 Temperature (°C) = 65.00 - Electrical balance (eq) = 1.569e-15 + Electrical balance (eq) = 1.623e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -17622,7 +17434,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.708e-02 -0.918 -1.060 -0.142 32.12 Na 1.208e-01 Na+ 1.208e-01 9.161e-02 -0.918 -1.038 -0.120 0.22 - NaOH 6.058e-18 6.229e-18 -17.218 -17.206 0.012 (0) O(0) 1.755e-06 O2 8.776e-07 9.023e-07 -6.057 -6.045 0.012 32.59 @@ -17681,8 +17492,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.200e-07 Temperature (°C) = 65.00 - Electrical balance (eq) = -1.510e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.605e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 Total O = 5.626042e+01 @@ -17708,7 +17519,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.646e-01 -0.600 -0.784 -0.184 32.29 Na 2.514e-01 Na+ 2.514e-01 1.807e-01 -0.600 -0.743 -0.144 0.37 - NaOH 1.292e-17 1.369e-17 -16.889 -16.864 0.025 (0) O(0) 2.300e-06 O2 1.150e-06 1.219e-06 -5.939 -5.914 0.025 32.59 @@ -17767,8 +17577,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.153e-06 Temperature (°C) = 65.00 - Electrical balance (eq) = 4.348e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.997e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 Total O = 5.700922e+01 @@ -17794,7 +17604,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 2.963e-01 -0.300 -0.528 -0.228 32.47 Na 5.010e-01 Na+ 5.010e-01 3.487e-01 -0.300 -0.458 -0.157 0.55 - NaOH 2.571e-17 2.885e-17 -16.590 -16.540 0.050 (0) O(0) 2.883e-06 O2 1.442e-06 1.618e-06 -5.841 -5.791 0.050 32.59 @@ -17960,7 +17769,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.965e-07 Temperature (°C) = 70.00 - Electrical balance (eq) = -1.764e-16 + Electrical balance (eq) = -1.757e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -17987,7 +17796,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.349e-02 -1.000 -1.134 -0.134 32.25 Na 1.000e-01 Na+ 1.000e-01 7.676e-02 -1.000 -1.115 -0.115 0.28 - NaOH 5.859e-18 5.995e-18 -17.232 -17.222 0.010 (0) O(0) 1.991e-06 O2 9.957e-07 1.019e-06 -6.002 -5.992 0.010 32.79 @@ -18046,7 +17854,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.194e-06 Temperature (°C) = 70.00 - Electrical balance (eq) = 9.565e-15 + Electrical balance (eq) = 9.567e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -18073,7 +17881,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.923e-01 -0.519 -0.716 -0.198 32.50 Na 3.030e-01 Na+ 3.030e-01 2.144e-01 -0.519 -0.669 -0.150 0.51 - NaOH 1.848e-17 1.982e-17 -16.733 -16.703 0.030 (0) O(0) 2.985e-06 O2 1.492e-06 1.600e-06 -5.826 -5.796 0.030 32.79 @@ -18132,7 +17939,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.463e-06 Temperature (°C) = 70.00 - Electrical balance (eq) = -3.739e-14 + Electrical balance (eq) = -2.780e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.110124e+02 @@ -18159,7 +17966,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.335e-01 -0.237 -0.477 -0.240 32.68 Na 5.800e-01 Na+ 5.800e-01 4.010e-01 -0.237 -0.397 -0.160 0.68 - NaOH 3.509e-17 4.010e-17 -16.455 -16.397 0.058 (0) O(0) 3.657e-06 O2 1.828e-06 2.090e-06 -5.738 -5.680 0.058 32.79 @@ -18218,8 +18024,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.635e-06 Temperature (°C) = 70.00 - Electrical balance (eq) = -9.824e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 4.558e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 21 Total H = 1.110124e+02 Total O = 5.818222e+01 @@ -18245,7 +18051,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 4.791e-01 -0.050 -0.320 -0.270 32.80 Na 8.920e-01 Na+ 8.920e-01 6.222e-01 -0.050 -0.206 -0.156 0.81 - NaOH 5.253e-17 6.451e-17 -16.280 -16.190 0.089 (0) O(0) 4.088e-06 O2 2.044e-06 2.510e-06 -5.689 -5.600 0.089 32.79 @@ -18411,7 +18216,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.382e-07 Temperature (°C) = 75.00 - Electrical balance (eq) = -6.858e-16 + Electrical balance (eq) = -1.962e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 @@ -18438,7 +18243,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.309e-02 -1.821 -1.883 -0.062 32.13 Na 1.509e-02 Na+ 1.509e-02 1.320e-02 -1.821 -1.879 -0.058 0.14 - NaOH 8.908e-19 8.939e-19 -18.050 -18.049 0.002 (0) O(0) 1.095e-06 O2 5.477e-07 5.496e-07 -6.261 -6.260 0.002 32.99 @@ -18497,7 +18301,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.931e-07 Temperature (°C) = 75.00 - Electrical balance (eq) = -3.832e-16 + Electrical balance (eq) = -1.373e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.110124e+02 @@ -18524,7 +18328,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.490e-02 -1.520 -1.604 -0.083 32.20 Na 3.017e-02 Na+ 3.017e-02 2.529e-02 -1.520 -1.597 -0.077 0.20 - NaOH 1.892e-18 1.905e-18 -17.723 -17.720 0.003 (0) O(0) 1.483e-06 O2 7.414e-07 7.466e-07 -6.130 -6.127 0.003 32.99 @@ -18583,8 +18386,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.907e-07 Temperature (°C) = 75.00 - Electrical balance (eq) = -1.653e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.764e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 19 Total H = 1.110124e+02 Total O = 5.568739e+01 @@ -18610,7 +18413,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.676e-02 -1.219 -1.330 -0.111 32.30 Na 6.039e-02 Na+ 6.039e-02 4.811e-02 -1.219 -1.318 -0.099 0.29 - NaOH 4.007e-18 4.063e-18 -17.397 -17.391 0.006 (0) O(0) 1.977e-06 O2 9.884e-07 1.002e-06 -6.005 -5.999 0.006 32.99 @@ -18669,7 +18471,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.037e-06 Temperature (°C) = 75.00 - Electrical balance (eq) = 8.393e-16 + Electrical balance (eq) = 8.382e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 19 Total H = 1.110124e+02 @@ -18696,7 +18498,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.647e-02 -0.918 -1.063 -0.145 32.42 Na 1.208e-01 Na+ 1.208e-01 9.104e-02 -0.918 -1.041 -0.123 0.41 - NaOH 8.391e-18 8.627e-18 -17.076 -17.064 0.012 (0) O(0) 2.592e-06 O2 1.296e-06 1.333e-06 -5.887 -5.875 0.012 32.99 @@ -18755,7 +18556,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.353e-06 Temperature (°C) = 75.00 - Electrical balance (eq) = 8.537e-15 + Electrical balance (eq) = 2.879e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -18782,7 +18583,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.631e-01 -0.600 -0.787 -0.188 32.59 Na 2.514e-01 Na+ 2.514e-01 1.793e-01 -0.600 -0.747 -0.147 0.55 - NaOH 1.798e-17 1.905e-17 -16.745 -16.720 0.025 (0) O(0) 3.382e-06 O2 1.691e-06 1.792e-06 -5.772 -5.747 0.025 32.99 @@ -18841,8 +18641,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.690e-06 Temperature (°C) = 75.00 - Electrical balance (eq) = -3.950e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.257e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 Total O = 5.700922e+01 @@ -18868,7 +18668,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 2.931e-01 -0.300 -0.533 -0.233 32.78 Na 5.010e-01 Na+ 5.010e-01 3.455e-01 -0.300 -0.462 -0.161 0.72 - NaOH 3.585e-17 4.023e-17 -16.446 -16.395 0.050 (0) O(0) 4.225e-06 O2 2.113e-06 2.371e-06 -5.675 -5.625 0.050 32.99 @@ -19034,7 +18833,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.159e-06 Temperature (°C) = 80.00 - Electrical balance (eq) = -3.466e-16 + Electrical balance (eq) = -1.969e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -19061,7 +18860,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.299e-02 -1.000 -1.137 -0.137 32.51 Na 1.000e-01 Na+ 1.000e-01 7.629e-02 -1.000 -1.118 -0.118 0.45 - NaOH 8.013e-18 8.200e-18 -17.096 -17.086 0.010 (0) O(0) 2.898e-06 O2 1.449e-06 1.483e-06 -5.839 -5.829 0.010 33.17 @@ -19120,7 +18918,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.727e-06 Temperature (°C) = 80.00 - Electrical balance (eq) = 7.647e-15 + Electrical balance (eq) = 7.649e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -19147,7 +18945,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.904e-01 -0.519 -0.720 -0.202 32.77 Na 3.030e-01 Na+ 3.030e-01 2.126e-01 -0.519 -0.672 -0.154 0.68 - NaOH 2.543e-17 2.726e-17 -16.595 -16.564 0.030 (0) O(0) 4.317e-06 O2 2.159e-06 2.315e-06 -5.666 -5.636 0.030 33.17 @@ -19206,7 +19003,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.110e-06 Temperature (°C) = 80.00 - Electrical balance (eq) = -1.777e-14 + Electrical balance (eq) = -1.779e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -19233,7 +19030,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.296e-01 -0.237 -0.482 -0.245 32.95 Na 5.800e-01 Na+ 5.800e-01 3.971e-01 -0.237 -0.401 -0.165 0.84 - NaOH 4.833e-17 5.524e-17 -16.316 -16.258 0.058 (0) O(0) 5.276e-06 O2 2.638e-06 3.015e-06 -5.579 -5.521 0.058 33.17 @@ -19292,7 +19088,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.356e-06 Temperature (°C) = 80.00 - Electrical balance (eq) = 7.689e-15 + Electrical balance (eq) = 2.216e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -19319,7 +19115,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 4.730e-01 -0.050 -0.325 -0.275 33.07 Na 8.920e-01 Na+ 8.920e-01 6.156e-01 -0.050 -0.211 -0.161 0.97 - NaOH 7.236e-17 8.886e-17 -16.140 -16.051 0.089 (0) O(0) 5.891e-06 O2 2.946e-06 3.617e-06 -5.531 -5.442 0.089 33.17 @@ -19485,7 +19280,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.382e-07 Temperature (°C) = 85.00 - Electrical balance (eq) = -4.993e-16 + Electrical balance (eq) = -2.533e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.110124e+02 @@ -19512,7 +19307,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.305e-02 -1.821 -1.884 -0.063 32.34 Na 1.509e-02 Na+ 1.509e-02 1.316e-02 -1.821 -1.881 -0.059 0.28 - NaOH 1.181e-18 1.185e-18 -17.928 -17.926 0.002 (0) O(0) 1.595e-06 O2 7.977e-07 8.005e-07 -6.098 -6.097 0.002 33.36 @@ -19571,7 +19365,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 8.582e-07 Temperature (°C) = 85.00 - Electrical balance (eq) = -8.868e-17 + Electrical balance (eq) = -5.870e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -19598,7 +19392,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.479e-02 -1.520 -1.606 -0.085 32.41 Na 3.017e-02 Na+ 3.017e-02 2.518e-02 -1.520 -1.599 -0.078 0.36 - NaOH 2.531e-18 2.549e-18 -17.597 -17.594 0.003 (0) O(0) 2.146e-06 O2 1.073e-06 1.080e-06 -5.969 -5.966 0.003 33.36 @@ -19657,8 +19450,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.138e-06 Temperature (°C) = 85.00 - Electrical balance (eq) = 8.876e-17 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.902e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 Total O = 5.568739e+01 @@ -19684,7 +19477,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.649e-02 -1.219 -1.333 -0.114 32.52 Na 6.039e-02 Na+ 6.039e-02 4.785e-02 -1.219 -1.320 -0.101 0.45 - NaOH 5.401e-18 5.477e-18 -17.268 -17.261 0.006 (0) O(0) 2.844e-06 O2 1.422e-06 1.442e-06 -5.847 -5.841 0.006 33.36 @@ -19743,7 +19535,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.485e-06 Temperature (°C) = 85.00 - Electrical balance (eq) = 1.610e-15 + Electrical balance (eq) = 1.587e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -19770,7 +19562,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.583e-02 -0.918 -1.066 -0.148 32.65 Na 1.208e-01 Na+ 1.208e-01 9.042e-02 -0.918 -1.044 -0.126 0.56 - NaOH 1.137e-17 1.169e-17 -16.944 -16.932 0.012 (0) O(0) 3.712e-06 O2 1.856e-06 1.908e-06 -5.731 -5.719 0.012 33.36 @@ -19829,8 +19620,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.929e-06 Temperature (°C) = 85.00 - Electrical balance (eq) = -6.943e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.282e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 Total O = 5.626042e+01 @@ -19856,7 +19647,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.616e-01 -0.600 -0.792 -0.192 32.83 Na 2.514e-01 Na+ 2.514e-01 1.778e-01 -0.600 -0.750 -0.150 0.71 - NaOH 2.444e-17 2.589e-17 -16.612 -16.587 0.025 (0) O(0) 4.824e-06 O2 2.412e-06 2.556e-06 -5.618 -5.592 0.025 33.36 @@ -19915,7 +19705,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.404e-06 Temperature (°C) = 85.00 - Electrical balance (eq) = -9.509e-15 + Electrical balance (eq) = -9.714e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -19942,7 +19732,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 2.897e-01 -0.300 -0.538 -0.238 33.03 Na 5.010e-01 Na+ 5.010e-01 3.422e-01 -0.300 -0.466 -0.166 0.87 - NaOH 4.878e-17 5.474e-17 -16.312 -16.262 0.050 (0) O(0) 6.011e-06 O2 3.006e-06 3.373e-06 -5.522 -5.472 0.050 33.36 @@ -20108,7 +19897,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.022e-07 Temperature (°C) = 95.00 - Electrical balance (eq) = -3.812e-16 + Electrical balance (eq) = -6.289e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.110124e+02 @@ -20135,7 +19924,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.300e-02 -1.821 -1.886 -0.065 32.48 Na 1.509e-02 Na+ 1.509e-02 1.312e-02 -1.821 -1.882 -0.061 0.41 - NaOH 1.538e-18 1.543e-18 -17.813 -17.812 0.002 (0) O(0) 2.256e-06 O2 1.128e-06 1.132e-06 -5.948 -5.946 0.002 33.72 @@ -20194,7 +19982,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.206e-06 Temperature (°C) = 95.00 - Electrical balance (eq) = 3.841e-16 + Electrical balance (eq) = 3.908e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 17 Total H = 1.110124e+02 @@ -20221,7 +20009,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.467e-02 -1.520 -1.608 -0.087 32.57 Na 3.017e-02 Na+ 3.017e-02 2.507e-02 -1.520 -1.601 -0.080 0.48 - NaOH 3.324e-18 3.347e-18 -17.478 -17.475 0.003 (0) O(0) 3.015e-06 O2 1.508e-06 1.518e-06 -5.822 -5.819 0.003 33.72 @@ -20280,8 +20067,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.590e-06 Temperature (°C) = 95.00 - Electrical balance (eq) = -2.770e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 7.033e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 17 Total H = 1.110124e+02 Total O = 5.568739e+01 @@ -20307,7 +20094,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.620e-02 -1.219 -1.335 -0.116 32.68 Na 6.039e-02 Na+ 6.039e-02 4.758e-02 -1.219 -1.323 -0.104 0.58 - NaOH 7.137e-18 7.237e-18 -17.146 -17.140 0.006 (0) O(0) 3.976e-06 O2 1.988e-06 2.016e-06 -5.702 -5.696 0.006 33.72 @@ -20366,7 +20152,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.067e-06 Temperature (°C) = 95.00 - Electrical balance (eq) = -3.395e-17 + Electrical balance (eq) = -2.207e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.110124e+02 @@ -20393,7 +20179,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.514e-02 -0.918 -1.070 -0.152 32.83 Na 1.208e-01 Na+ 1.208e-01 8.978e-02 -0.918 -1.047 -0.129 0.70 - NaOH 1.508e-17 1.551e-17 -16.822 -16.809 0.012 (0) O(0) 5.169e-06 O2 2.584e-06 2.657e-06 -5.588 -5.576 0.012 33.72 @@ -20452,7 +20237,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.678e-06 Temperature (°C) = 95.00 - Electrical balance (eq) = -8.340e-15 + Electrical balance (eq) = -1.242e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.110124e+02 @@ -20479,7 +20264,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.600e-01 -0.600 -0.796 -0.196 33.02 Na 2.514e-01 Na+ 2.514e-01 1.762e-01 -0.600 -0.754 -0.154 0.85 - NaOH 3.248e-17 3.442e-17 -16.488 -16.463 0.025 (0) O(0) 6.695e-06 O2 3.348e-06 3.547e-06 -5.475 -5.450 0.025 33.72 @@ -20538,7 +20322,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.329e-06 Temperature (°C) = 95.00 - Electrical balance (eq) = 4.757e-15 + Electrical balance (eq) = 4.703e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 19 Total H = 1.110124e+02 @@ -20565,7 +20349,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 2.862e-01 -0.300 -0.543 -0.243 33.23 Na 5.010e-01 Na+ 5.010e-01 3.386e-01 -0.300 -0.470 -0.170 1.01 - NaOH 6.484e-17 7.276e-17 -16.188 -16.138 0.050 (0) O(0) 8.325e-06 O2 4.163e-06 4.672e-06 -5.381 -5.331 0.050 33.72 diff --git a/mytest/Vm_NaNO3_sol_101.sel b/mytest/Vm_NaNO3_sol_101.sel index cffc25aeb..cbb9c2045 100644 --- a/mytest/Vm_NaNO3_sol_101.sel +++ b/mytest/Vm_NaNO3_sol_101.sel @@ -1,236 +1,236 @@ Mu SC 0.000000100644 0.0547821292 0.000000043183 0.0164557980 - 0.015090043380 1012.5733333489 - 0.030170043181 1964.3795544060 - 0.060390042838 3776.6200925471 - 0.120790042309 7162.2978696490 - 0.251400041523 13837.1470866995 - 0.501000040626 25125.5386681587 + 0.015090043380 1012.5733333112 + 0.030170043181 1964.3795541634 + 0.060390042838 3776.6200915990 + 0.120790042309 7162.2978664644 + 0.251400041523 13837.1470761128 + 0.501000040626 25125.5386372805 0.000000067373 0.0312920192 - 0.015090065897 1331.6944836497 - 0.030170065043 2581.8319267581 - 0.050000064246 4157.1644932413 - 0.060390063909 4959.0650250197 - 0.100000062905 7903.8314244232 - 0.120790062493 9391.5781933171 - 0.251400060754 18101.9170146748 - 0.500000059121 32701.0125880568 - 0.501000059116 32755.8408728230 - 1.000000058019 57293.9765768457 - 2.000000058588 94450.7740424877 - 3.000000060390 120502.7744169943 - 3.959000062492 137870.4714067001 - 6.000000067028 157748.9854105142 + 0.015090065897 1331.6944835132 + 0.030170065043 2581.8319261573 + 0.050000064246 4157.1644917135 + 0.060390063909 4959.0650228890 + 0.100000062905 7903.8314193851 + 0.120790062493 9391.5781864204 + 0.251400060754 18101.9169921371 + 0.500000059121 32701.0125231788 + 0.501000059116 32755.8408077512 + 1.000000058019 57293.9764042598 + 2.000000058588 94450.7736619686 + 3.000000060390 120502.7739074789 + 3.959000062492 137870.4708528630 + 6.000000067028 157748.9849153996 0.000000082766 0.0417864350 - 0.050000077092 4681.2672143720 - 0.100000075086 8895.0863884729 - 0.100000075086 8895.0863884729 - 0.303000071448 23946.0146899555 - 0.500000069922 36699.7248145778 - 0.580000069538 41511.9797164871 - 0.892000068746 58700.6469379914 - 1.000000068649 64149.2917373016 - 2.000000069761 105409.1940368251 - 3.000000072452 134212.5324366859 - 3.959000075507 153382.3194803958 - 6.000000082134 175368.5928605404 + 0.050000077092 4681.2672120948 + 0.100000075086 8895.0863811401 + 0.100000075086 8895.0863811401 + 0.303000071448 23946.0146466991 + 0.500000069922 36699.7247221027 + 0.580000069538 41511.9796015302 + 0.892000068746 58700.6467279151 + 1.000000068649 64149.2914929887 + 2.000000069761 105409.1935028486 + 3.000000072452 134212.5317254221 + 3.959000075507 153382.3187093862 + 6.000000082134 175368.5921722434 0.000000100644 0.0547821292 - 0.015090095377 1674.6504505696 - 0.030170093256 3244.7814130641 - 0.050000091421 5221.4850966028 - 0.051760091287 5393.1254194178 - 0.060390090678 6227.0088077670 - 0.072090089957 7338.7102676490 - 0.096720088712 9618.0233075915 - 0.100000088568 9916.0051198647 - 0.100000088568 9916.0051198647 - 0.101110088520 10016.5724038891 - 0.120790087741 11777.8085939672 - 0.200330085479 18546.0796838114 - 0.206560085343 19056.1634906296 - 0.251400084473 22654.8453055304 - 0.298820083727 26335.0506299932 - 0.303000083668 26653.7980961727 - 0.335760083239 29122.3074498192 - 0.400890082531 33884.9138171723 - 0.467690081961 38589.2024157838 - 0.498380081741 40694.6366363557 - 0.500000081730 40804.8451351906 - 0.500000081730 40804.8451351906 - 0.501000081723 40872.8293224747 - 0.580000081259 46137.1922725407 - 0.598960081166 47370.6764764930 - 0.689770080800 53129.2318531635 - 0.699740080767 53747.0501762324 - 0.798940080506 59748.8386186859 - 0.892000080355 65152.7990374547 - 0.896970080350 65435.5700752182 - 0.940650080307 67896.2253044430 - 1.000000080272 71170.8082471191 - 1.000000080272 71170.8082471191 - 1.000040080272 71172.9891109141 - 1.010890080268 71763.2707536912 - 1.196330080316 81474.2101125523 - 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pe = -0.158 Adjusted to redox equilibrium + pe = -0.167 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 494 Density (g/cm³) = 0.99721 Volume (L) = 1.00303 @@ -9080,9 +9080,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 4.107e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.966e-17 + Total alkalinity (eq/kg) = 3.103e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.776e-15 + Electrical balance (eq) = -1.770e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9099,22 +9099,21 @@ Reaction 1. Cl 4.107e-03 Cl- 4.107e-03 3.830e-03 -2.386 -2.417 -0.030 18.11 HCl 1.326e-10 1.331e-10 -9.878 -9.876 0.002 (0) -H(0) 2.977e-17 - H2 1.488e-17 1.490e-17 -16.827 -16.827 0.000 28.61 +H(0) 3.104e-17 + H2 1.552e-17 1.553e-17 -16.809 -16.809 0.000 28.61 Na 4.107e-03 Na+ 4.107e-03 3.835e-03 -2.386 -2.416 -0.030 -1.43 - NaOH 3.844e-20 3.847e-20 -19.415 -19.415 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.727 -58.726 0.000 30.40 + O2 0.000e+00 0.000e+00 -58.763 -58.763 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.40 -4.83 1.57 NaCl - O2(g) -55.83 -58.73 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9150,7 +9149,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = -0.161 Adjusted to redox equilibrium + pe = -0.162 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1168 Density (g/cm³) = 0.99746 Volume (L) = 1.00313 @@ -9158,9 +9157,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 9.920e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.029e-17 + Total alkalinity (eq/kg) = 3.046e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.511e-13 + Electrical balance (eq) = -1.509e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9177,22 +9176,21 @@ Reaction 1. Cl 9.920e-03 Cl- 9.920e-03 8.939e-03 -2.003 -2.049 -0.045 18.14 HCl 3.086e-10 3.116e-10 -9.511 -9.506 0.004 (0) -H(0) 3.035e-17 - H2 1.517e-17 1.521e-17 -16.819 -16.818 0.001 28.61 +H(0) 3.050e-17 + H2 1.525e-17 1.528e-17 -16.817 -16.816 0.001 28.61 Na 9.920e-03 Na+ 9.920e-03 8.964e-03 -2.003 -2.047 -0.044 -1.38 - NaOH 8.943e-20 8.964e-20 -19.048 -19.048 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.745 -58.744 0.001 30.40 + O2 0.000e+00 0.000e+00 -58.750 -58.749 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.71 -16.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -5.67 -4.10 1.57 NaCl - O2(g) -55.85 -58.74 -2.89 O2 + O2(g) -55.86 -58.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9228,7 +9226,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = -0.163 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1190 Density (g/cm³) = 0.99746 Volume (L) = 1.00314 @@ -9236,9 +9234,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.051e-17 + Total alkalinity (eq/kg) = 3.022e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.667e-13 + Electrical balance (eq) = -1.665e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9255,22 +9253,21 @@ Reaction 1. Cl 1.011e-02 Cl- 1.011e-02 9.102e-03 -1.995 -2.041 -0.046 18.14 HCl 3.142e-10 3.173e-10 -9.503 -9.499 0.004 (0) -H(0) 3.064e-17 - H2 1.532e-17 1.536e-17 -16.815 -16.814 0.001 28.61 +H(0) 3.037e-17 + H2 1.519e-17 1.522e-17 -16.819 -16.818 0.001 28.61 Na 1.011e-02 Na+ 1.011e-02 9.128e-03 -1.995 -2.040 -0.044 -1.38 - NaOH 9.106e-20 9.127e-20 -19.041 -19.040 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.754 -58.753 0.001 30.40 + O2 0.000e+00 0.000e+00 -58.746 -58.745 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.81 -3.10 H2 + H2(g) -13.72 -16.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -5.65 -4.08 1.57 NaCl - O2(g) -55.86 -58.75 -2.89 O2 + O2(g) -55.85 -58.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9306,7 +9303,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = -0.157 Adjusted to redox equilibrium + pe = -0.155 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1210 Density (g/cm³) = 0.99747 Volume (L) = 1.00314 @@ -9314,9 +9311,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.029e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.954e-17 + Total alkalinity (eq/kg) = 2.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.804e-13 + Electrical balance (eq) = -1.800e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9333,13 +9330,12 @@ Reaction 1. Cl 1.029e-02 Cl- 1.029e-02 9.256e-03 -1.988 -2.034 -0.046 18.14 HCl 3.195e-10 3.227e-10 -9.496 -9.491 0.004 (0) -H(0) 2.975e-17 - H2 1.487e-17 1.491e-17 -16.828 -16.827 0.001 28.61 +H(0) 2.955e-17 + H2 1.477e-17 1.481e-17 -16.831 -16.829 0.001 28.61 Na 1.029e-02 Na+ 1.029e-02 9.284e-03 -1.988 -2.032 -0.045 -1.38 - NaOH 9.260e-20 9.282e-20 -19.033 -19.032 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.728 -58.727 0.001 30.40 + O2 0.000e+00 0.000e+00 -58.722 -58.721 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -9348,7 +9344,7 @@ O(0) 0.000e+00 H2(g) -13.73 -16.83 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -5.64 -4.07 1.57 NaCl - O2(g) -55.83 -58.73 -2.89 O2 + O2(g) -55.83 -58.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9384,7 +9380,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.990 Charge balance - pe = -0.186 Adjusted to redox equilibrium + pe = -0.195 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 4595 Density (g/cm³) = 0.99875 Volume (L) = 1.00367 @@ -9392,9 +9388,9 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 4.120e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.438e-17 + Total alkalinity (eq/kg) = 2.538e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.315e-10 + Electrical balance (eq) = -1.322e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9411,22 +9407,21 @@ Reaction 1. Cl 4.120e-02 Cl- 4.120e-02 3.406e-02 -1.385 -1.468 -0.083 18.23 HCl 1.153e-09 1.200e-09 -8.938 -8.921 0.018 (0) -H(0) 3.455e-17 - H2 1.728e-17 1.744e-17 -16.763 -16.758 0.004 28.61 +H(0) 3.602e-17 + H2 1.801e-17 1.818e-17 -16.744 -16.740 0.004 28.61 Na 4.120e-02 Na+ 4.120e-02 3.443e-02 -1.385 -1.463 -0.078 -1.24 - NaOH 3.370e-19 3.402e-19 -18.472 -18.468 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.869 -58.864 0.004 30.40 + O2 0.000e+00 0.000e+00 -58.905 -58.901 0.004 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.64 -16.74 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.50 -2.93 1.57 NaCl - O2(g) -55.97 -58.86 -2.89 O2 + O2(g) -56.01 -58.90 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9462,7 +9457,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.157 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5525 Density (g/cm³) = 0.99911 Volume (L) = 1.00382 @@ -9470,9 +9465,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.002e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.018e-17 + Total alkalinity (eq/kg) = 3.222e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.171e-17 + Electrical balance (eq) = -2.211e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9489,22 +9484,21 @@ Reaction 1. Cl 5.002e-02 Cl- 5.002e-02 4.073e-02 -1.301 -1.390 -0.089 18.25 HCl 1.370e-09 1.439e-09 -8.863 -8.842 0.021 (0) -H(0) 3.030e-17 - H2 1.515e-17 1.533e-17 -16.820 -16.815 0.005 28.61 +H(0) 3.222e-17 + H2 1.611e-17 1.630e-17 -16.793 -16.788 0.005 28.61 Na 5.002e-02 Na+ 5.002e-02 4.126e-02 -1.301 -1.385 -0.084 -1.21 - NaOH 4.019e-19 4.066e-19 -18.396 -18.391 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.757 -58.752 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.811 -58.806 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.81 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.34 -2.77 1.57 NaCl - O2(g) -55.86 -58.75 -2.89 O2 + O2(g) -55.91 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9540,7 +9534,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.140 Adjusted to redox equilibrium + pe = -0.158 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5526 Density (g/cm³) = 0.99911 Volume (L) = 1.00382 @@ -9548,9 +9542,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.003e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.790e-17 + Total alkalinity (eq/kg) = 2.989e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.751e-17 + Electrical balance (eq) = -3.870e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9567,22 +9561,21 @@ Reaction 1. Cl 5.003e-02 Cl- 5.003e-02 4.074e-02 -1.301 -1.390 -0.089 18.25 HCl 1.370e-09 1.439e-09 -8.863 -8.842 0.021 (0) -H(0) 2.799e-17 - H2 1.399e-17 1.416e-17 -16.854 -16.849 0.005 28.61 +H(0) 3.044e-17 + H2 1.522e-17 1.540e-17 -16.818 -16.813 0.005 28.61 Na 5.003e-02 Na+ 5.003e-02 4.126e-02 -1.301 -1.384 -0.084 -1.21 - NaOH 4.020e-19 4.067e-19 -18.396 -18.391 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.688 -58.683 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.756 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.34 -2.77 1.57 NaCl - O2(g) -55.79 -58.68 -2.89 O2 + O2(g) -55.86 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9618,7 +9611,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.140 Adjusted to redox equilibrium + pe = -0.143 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5757 Density (g/cm³) = 0.99920 Volume (L) = 1.00386 @@ -9626,9 +9619,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.224e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.756e-17 + Total alkalinity (eq/kg) = 2.783e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.155e-17 + Electrical balance (eq) = -4.966e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9645,22 +9638,21 @@ Reaction 1. Cl 5.224e-02 Cl- 5.224e-02 4.239e-02 -1.282 -1.373 -0.091 18.26 HCl 1.423e-09 1.498e-09 -8.847 -8.824 0.022 (0) -H(0) 2.802e-17 - H2 1.401e-17 1.418e-17 -16.854 -16.848 0.005 28.61 +H(0) 2.847e-17 + H2 1.423e-17 1.441e-17 -16.847 -16.841 0.005 28.61 Na 5.224e-02 Na+ 5.224e-02 4.296e-02 -1.282 -1.367 -0.085 -1.20 - NaOH 4.181e-19 4.231e-19 -18.379 -18.374 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.690 -58.685 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.704 -58.699 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.31 -2.74 1.57 NaCl - O2(g) -55.79 -58.68 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9696,7 +9688,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.146 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5784 Density (g/cm³) = 0.99921 Volume (L) = 1.00386 @@ -9704,9 +9696,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.250e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.146e-17 + Total alkalinity (eq/kg) = 2.849e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.141e-17 + Electrical balance (eq) = -4.013e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9723,22 +9715,21 @@ Reaction 1. Cl 5.250e-02 Cl- 5.250e-02 4.259e-02 -1.280 -1.371 -0.091 18.26 HCl 1.429e-09 1.505e-09 -8.845 -8.822 0.022 (0) -H(0) 3.153e-17 - H2 1.576e-17 1.596e-17 -16.802 -16.797 0.005 28.61 +H(0) 2.878e-17 + H2 1.439e-17 1.457e-17 -16.842 -16.837 0.005 28.61 Na 5.250e-02 Na+ 5.250e-02 4.316e-02 -1.280 -1.365 -0.085 -1.20 - NaOH 4.199e-19 4.251e-19 -18.377 -18.372 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.793 -58.787 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.713 -58.708 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.31 -2.74 1.57 NaCl - O2(g) -55.89 -58.79 -2.89 O2 + O2(g) -55.82 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9774,7 +9765,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.144 Adjusted to redox equilibrium + pe = -0.127 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6315 Density (g/cm³) = 0.99942 Volume (L) = 1.00395 @@ -9782,9 +9773,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.760e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.812e-17 + Total alkalinity (eq/kg) = 2.641e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.998e-17 + Electrical balance (eq) = -2.935e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9801,22 +9792,21 @@ Reaction 1. Cl 5.760e-02 Cl- 5.760e-02 4.637e-02 -1.240 -1.334 -0.094 18.27 HCl 1.551e-09 1.641e-09 -8.810 -8.785 0.025 (0) -H(0) 2.856e-17 - H2 1.428e-17 1.447e-17 -16.845 -16.840 0.006 28.61 +H(0) 2.645e-17 + H2 1.323e-17 1.340e-17 -16.879 -16.873 0.006 28.61 Na 5.760e-02 Na+ 5.760e-02 4.705e-02 -1.240 -1.327 -0.088 -1.19 - NaOH 4.566e-19 4.627e-19 -18.340 -18.335 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.708 -58.703 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.642 -58.636 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.74 -16.84 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.23 -2.66 1.57 NaCl - O2(g) -55.81 -58.70 -2.89 O2 + O2(g) -55.74 -58.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9852,7 +9842,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.173 Adjusted to redox equilibrium + pe = -0.178 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6377 Density (g/cm³) = 0.99944 Volume (L) = 1.00396 @@ -9860,9 +9850,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.820e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.272e-17 + Total alkalinity (eq/kg) = 3.347e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.971e-17 + Electrical balance (eq) = -6.031e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9879,22 +9869,21 @@ Reaction 1. Cl 5.820e-02 Cl- 5.820e-02 4.681e-02 -1.235 -1.330 -0.095 18.27 HCl 1.565e-09 1.656e-09 -8.806 -8.781 0.025 (0) -H(0) 3.276e-17 - H2 1.638e-17 1.660e-17 -16.786 -16.780 0.006 28.61 +H(0) 3.353e-17 + H2 1.676e-17 1.699e-17 -16.776 -16.770 0.006 28.61 Na 5.820e-02 Na+ 5.820e-02 4.750e-02 -1.235 -1.323 -0.088 -1.19 - NaOH 4.609e-19 4.671e-19 -18.336 -18.331 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.828 -58.822 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.848 -58.842 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.68 -16.78 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.22 -2.65 1.57 NaCl - O2(g) -55.93 -58.82 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9930,7 +9919,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.155 Adjusted to redox equilibrium + pe = -0.162 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6746 Density (g/cm³) = 0.99959 Volume (L) = 1.00402 @@ -9938,9 +9927,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.177e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.017e-17 + Total alkalinity (eq/kg) = 3.103e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.132e-17 + Electrical balance (eq) = -5.199e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9957,22 +9946,21 @@ Reaction 1. Cl 6.177e-02 Cl- 6.177e-02 4.944e-02 -1.209 -1.306 -0.097 18.28 HCl 1.648e-09 1.751e-09 -8.783 -8.757 0.026 (0) -H(0) 3.019e-17 - H2 1.509e-17 1.531e-17 -16.821 -16.815 0.006 28.61 +H(0) 3.106e-17 + H2 1.553e-17 1.575e-17 -16.809 -16.803 0.006 28.61 Na 6.177e-02 Na+ 6.177e-02 5.021e-02 -1.209 -1.299 -0.090 -1.18 - NaOH 4.863e-19 4.933e-19 -18.313 -18.307 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.758 -58.752 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.783 -58.777 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.82 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.18 -2.61 1.57 NaCl - O2(g) -55.86 -58.75 -2.89 O2 + O2(g) -55.88 -58.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10008,7 +9996,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.169 Adjusted to redox equilibrium + pe = -0.196 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6893 Density (g/cm³) = 0.99965 Volume (L) = 1.00405 @@ -10016,9 +10004,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.320e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.218e-17 + Total alkalinity (eq/kg) = 3.629e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.300e-17 + Electrical balance (eq) = -3.530e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10035,22 +10023,21 @@ Reaction 1. Cl 6.320e-02 Cl- 6.320e-02 5.048e-02 -1.199 -1.297 -0.098 18.28 HCl 1.681e-09 1.788e-09 -8.774 -8.748 0.027 (0) -H(0) 3.220e-17 - H2 1.610e-17 1.633e-17 -16.793 -16.787 0.006 28.61 +H(0) 3.642e-17 + H2 1.821e-17 1.848e-17 -16.740 -16.733 0.006 28.61 Na 6.320e-02 Na+ 6.320e-02 5.129e-02 -1.199 -1.290 -0.091 -1.17 - NaOH 4.964e-19 5.037e-19 -18.304 -18.298 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.814 -58.808 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.921 -58.915 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.63 -16.73 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.16 -2.59 1.57 NaCl - O2(g) -55.92 -58.81 -2.89 O2 + O2(g) -56.02 -58.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10086,7 +10073,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.163 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7244 Density (g/cm³) = 0.99979 Volume (L) = 1.00411 @@ -10094,9 +10081,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.662e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.127e-17 + Total alkalinity (eq/kg) = 3.229e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.635e-17 + Electrical balance (eq) = -4.712e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10113,22 +10100,21 @@ Reaction 1. Cl 6.662e-02 Cl- 6.662e-02 5.298e-02 -1.176 -1.276 -0.100 18.29 HCl 1.759e-09 1.878e-09 -8.755 -8.726 0.028 (0) -H(0) 3.130e-17 - H2 1.565e-17 1.589e-17 -16.805 -16.799 0.007 28.61 +H(0) 3.231e-17 + H2 1.615e-17 1.640e-17 -16.792 -16.785 0.007 28.61 Na 6.662e-02 Na+ 6.662e-02 5.386e-02 -1.176 -1.269 -0.092 -1.17 - NaOH 5.205e-19 5.285e-19 -18.284 -18.277 0.007 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.791 -58.784 0.007 30.40 + O2 0.000e+00 0.000e+00 -58.818 -58.812 0.007 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.68 -16.79 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.11 -2.54 1.57 NaCl - O2(g) -55.89 -58.78 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10164,7 +10150,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.987 Charge balance - pe = -0.208 Adjusted to redox equilibrium + pe = -0.222 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8302 Density (g/cm³) = 1.00021 Volume (L) = 1.00429 @@ -10172,9 +10158,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 7.699e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.584e-17 + Total alkalinity (eq/kg) = 4.025e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.062e-17 + Electrical balance (eq) = -9.700e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10191,22 +10177,21 @@ Reaction 1. Cl 7.699e-02 Cl- 7.699e-02 6.045e-02 -1.114 -1.219 -0.105 18.30 HCl 1.991e-09 2.147e-09 -8.701 -8.668 0.033 (0) -H(0) 3.863e-17 - H2 1.931e-17 1.966e-17 -16.714 -16.706 0.008 28.61 +H(0) 4.106e-17 + H2 2.053e-17 2.090e-17 -16.688 -16.680 0.008 28.61 Na 7.699e-02 Na+ 7.699e-02 6.160e-02 -1.114 -1.210 -0.097 -1.14 - NaOH 5.925e-19 6.030e-19 -18.227 -18.220 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.977 -58.969 0.008 30.40 + O2 0.000e+00 0.000e+00 -59.030 -59.023 0.008 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.58 -16.68 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.00 -2.43 1.57 NaCl - O2(g) -56.08 -58.97 -2.89 O2 + O2(g) -56.13 -59.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10242,7 +10227,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.986 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8546 Density (g/cm³) = 1.00031 Volume (L) = 1.00433 @@ -10250,9 +10235,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 7.940e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.137e-17 + Total alkalinity (eq/kg) = 3.244e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.518e-16 + Electrical balance (eq) = -1.526e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10269,22 +10254,21 @@ Reaction 1. Cl 7.940e-02 Cl- 7.940e-02 6.217e-02 -1.100 -1.206 -0.106 18.31 HCl 2.044e-09 2.210e-09 -8.689 -8.656 0.034 (0) -H(0) 3.162e-17 - H2 1.581e-17 1.610e-17 -16.801 -16.793 0.008 28.61 +H(0) 3.244e-17 + H2 1.622e-17 1.652e-17 -16.790 -16.782 0.008 28.61 Na 7.940e-02 Na+ 7.940e-02 6.339e-02 -1.100 -1.198 -0.098 -1.14 - NaOH 6.090e-19 6.202e-19 -18.215 -18.207 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.804 -58.796 0.008 30.40 + O2 0.000e+00 0.000e+00 -58.826 -58.818 0.008 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.97 -2.40 1.57 NaCl - O2(g) -55.90 -58.80 -2.89 O2 + O2(g) -55.93 -58.82 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10320,7 +10304,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.986 Charge balance - pe = -0.131 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8610 Density (g/cm³) = 1.00034 Volume (L) = 1.00434 @@ -10328,9 +10312,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 8.004e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.686e-17 + Total alkalinity (eq/kg) = 2.688e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.334e-16 + Electrical balance (eq) = -1.754e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10347,13 +10331,12 @@ Reaction 1. Cl 8.004e-02 Cl- 8.004e-02 6.263e-02 -1.097 -1.203 -0.107 18.31 HCl 2.058e-09 2.226e-09 -8.687 -8.652 0.034 (0) -H(0) 2.700e-17 - H2 1.350e-17 1.375e-17 -16.870 -16.862 0.008 28.61 +H(0) 2.688e-17 + H2 1.344e-17 1.369e-17 -16.872 -16.864 0.008 28.61 Na 8.004e-02 Na+ 8.004e-02 6.386e-02 -1.097 -1.195 -0.098 -1.13 - NaOH 6.134e-19 6.248e-19 -18.212 -18.204 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.667 -58.659 0.008 30.40 + O2 0.000e+00 0.000e+00 -58.663 -58.655 0.008 30.40 ------------------------------Saturation indices------------------------------- @@ -10362,7 +10345,7 @@ O(0) 0.000e+00 H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.97 -2.40 1.57 NaCl - O2(g) -55.77 -58.66 -2.89 O2 + O2(g) -55.76 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10398,7 +10381,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.225 Adjusted to redox equilibrium + pe = -0.131 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9942 Density (g/cm³) = 1.00088 Volume (L) = 1.00457 @@ -10406,9 +10389,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.330e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.916e-17 + Total alkalinity (eq/kg) = 2.603e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.060e-16 + Electrical balance (eq) = -1.361e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10425,22 +10408,21 @@ Reaction 1. Cl 9.330e-02 Cl- 9.330e-02 7.199e-02 -1.030 -1.143 -0.113 18.33 HCl 2.341e-09 2.565e-09 -8.631 -8.591 0.040 (0) -H(0) 4.182e-17 - H2 2.091e-17 2.137e-17 -16.680 -16.670 0.009 28.61 +H(0) 2.704e-17 + H2 1.352e-17 1.381e-17 -16.869 -16.860 0.009 28.61 Na 9.330e-02 Na+ 9.330e-02 7.362e-02 -1.030 -1.133 -0.103 -1.11 - NaOH 7.029e-19 7.182e-19 -18.153 -18.144 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.052 -59.042 0.009 30.40 + O2 0.000e+00 0.000e+00 -58.673 -58.663 0.009 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.57 -16.67 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.85 -2.28 1.57 NaCl - O2(g) -56.15 -59.04 -2.89 O2 + O2(g) -55.77 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10476,7 +10458,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.218 Adjusted to redox equilibrium + pe = -0.143 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10096 Density (g/cm³) = 1.00094 Volume (L) = 1.00460 @@ -10484,9 +10466,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.485e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.031e-17 + Total alkalinity (eq/kg) = 2.837e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.380e-16 + Electrical balance (eq) = -3.740e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10503,22 +10485,21 @@ Reaction 1. Cl 9.485e-02 Cl- 9.485e-02 7.307e-02 -1.023 -1.136 -0.113 18.33 HCl 2.373e-09 2.604e-09 -8.625 -8.584 0.040 (0) -H(0) 4.052e-17 - H2 2.026e-17 2.071e-17 -16.693 -16.684 0.009 28.61 +H(0) 2.860e-17 + H2 1.430e-17 1.462e-17 -16.845 -16.835 0.009 28.61 Na 9.485e-02 Na+ 9.485e-02 7.475e-02 -1.023 -1.126 -0.103 -1.10 - NaOH 7.133e-19 7.290e-19 -18.147 -18.137 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.025 -59.015 0.009 30.40 + O2 0.000e+00 0.000e+00 -58.722 -58.712 0.009 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.73 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.83 -2.26 1.57 NaCl - O2(g) -56.12 -59.02 -2.89 O2 + O2(g) -55.82 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10554,7 +10535,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.145 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10470 Density (g/cm³) = 1.00109 Volume (L) = 1.00467 @@ -10562,9 +10543,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.860e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.764e-17 + Total alkalinity (eq/kg) = 2.680e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.178e-16 + Electrical balance (eq) = -4.623e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10581,22 +10562,21 @@ Reaction 1. Cl 9.860e-02 Cl- 9.860e-02 7.569e-02 -1.006 -1.121 -0.115 18.34 HCl 2.450e-09 2.699e-09 -8.611 -8.569 0.042 (0) -H(0) 2.897e-17 - H2 1.448e-17 1.482e-17 -16.839 -16.829 0.010 28.61 +H(0) 2.698e-17 + H2 1.349e-17 1.380e-17 -16.870 -16.860 0.010 28.61 Na 9.860e-02 Na+ 9.860e-02 7.749e-02 -1.006 -1.111 -0.105 -1.09 - NaOH 7.382e-19 7.552e-19 -18.132 -18.122 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.734 -58.724 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.672 -58.663 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.80 -2.23 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.77 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10632,7 +10612,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.145 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10554 Density (g/cm³) = 1.00113 Volume (L) = 1.00468 @@ -10640,9 +10620,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.945e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.437e-17 + Total alkalinity (eq/kg) = 3.073e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.607e-17 + Electrical balance (eq) = -5.576e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10659,22 +10639,21 @@ Reaction 1. Cl 9.945e-02 Cl- 9.945e-02 7.628e-02 -1.002 -1.118 -0.115 18.34 HCl 2.468e-09 2.720e-09 -8.608 -8.565 0.042 (0) -H(0) 2.893e-17 - H2 1.447e-17 1.480e-17 -16.840 -16.830 0.010 28.61 +H(0) 3.117e-17 + H2 1.559e-17 1.595e-17 -16.807 -16.797 0.010 28.61 Na 9.945e-02 Na+ 9.945e-02 7.811e-02 -1.002 -1.107 -0.105 -1.09 - NaOH 7.438e-19 7.611e-19 -18.129 -18.119 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.733 -58.724 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.798 -58.788 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.90 -58.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10710,7 +10689,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.137 Adjusted to redox equilibrium + pe = -0.114 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10579 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -10718,9 +10697,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.970e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.755e-17 + Total alkalinity (eq/kg) = 2.501e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.408e-16 + Electrical balance (eq) = -4.816e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10737,22 +10716,21 @@ Reaction 1. Cl 9.970e-02 Cl- 9.970e-02 7.645e-02 -1.001 -1.117 -0.115 18.34 HCl 2.473e-09 2.727e-09 -8.607 -8.564 0.042 (0) -H(0) 2.784e-17 - H2 1.392e-17 1.424e-17 -16.856 -16.846 0.010 28.61 +H(0) 2.512e-17 + H2 1.256e-17 1.285e-17 -16.901 -16.891 0.010 28.61 Na 9.970e-02 Na+ 9.970e-02 7.829e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.455e-19 7.628e-19 -18.128 -18.118 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.700 -58.690 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.611 -58.601 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.79 -16.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.80 -58.69 -2.89 O2 + O2(g) -55.71 -58.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10788,7 +10766,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.169 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10598 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -10796,9 +10774,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.989e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.198e-17 + Total alkalinity (eq/kg) = 3.082e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.699e-16 + Electrical balance (eq) = -5.697e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10815,22 +10793,21 @@ Reaction 1. Cl 9.989e-02 Cl- 9.989e-02 7.659e-02 -1.000 -1.116 -0.115 18.34 HCl 2.477e-09 2.732e-09 -8.606 -8.564 0.043 (0) -H(0) 3.234e-17 - H2 1.617e-17 1.655e-17 -16.791 -16.781 0.010 28.61 +H(0) 3.119e-17 + H2 1.559e-17 1.596e-17 -16.807 -16.797 0.010 28.61 Na 9.989e-02 Na+ 9.989e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09 - NaOH 7.467e-19 7.641e-19 -18.127 -18.117 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.830 -58.820 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.799 -58.789 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.68 -16.78 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.93 -58.82 -2.89 O2 + O2(g) -55.90 -58.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10866,7 +10843,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.221 Adjusted to redox equilibrium + pe = -0.181 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10599 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -10874,9 +10851,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.990e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.067e-17 + Total alkalinity (eq/kg) = 3.416e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.298e-16 + Electrical balance (eq) = -5.714e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10893,22 +10870,21 @@ Reaction 1. Cl 9.990e-02 Cl- 9.990e-02 7.659e-02 -1.000 -1.116 -0.115 18.34 HCl 2.477e-09 2.732e-09 -8.606 -8.564 0.043 (0) -H(0) 4.100e-17 - H2 2.050e-17 2.098e-17 -16.688 -16.678 0.010 28.61 +H(0) 3.417e-17 + H2 1.708e-17 1.748e-17 -16.767 -16.757 0.010 28.61 Na 9.990e-02 Na+ 9.990e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.468e-19 7.642e-19 -18.127 -18.117 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.037 -59.027 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.868 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.13 -59.03 -2.89 O2 + O2(g) -55.98 -58.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10944,7 +10920,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -10952,9 +10928,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10971,22 +10947,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11022,7 +10997,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -11030,9 +11005,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11049,22 +11024,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11100,7 +11074,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -11108,9 +11082,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11127,22 +11101,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11178,7 +11151,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -11186,9 +11159,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11205,22 +11178,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11256,7 +11228,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.109 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10628 Density (g/cm³) = 1.00116 Volume (L) = 1.00469 @@ -11264,9 +11236,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.002e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.176e-17 + Total alkalinity (eq/kg) = 3.234e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.970e-16 + Electrical balance (eq) = -5.611e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11283,22 +11255,21 @@ Reaction 1. Cl 1.002e-01 Cl- 1.002e-01 7.680e-02 -0.999 -1.115 -0.116 18.34 HCl 2.483e-09 2.739e-09 -8.605 -8.562 0.043 (0) -H(0) 2.445e-17 - H2 1.222e-17 1.251e-17 -16.913 -16.903 0.010 28.61 +H(0) 3.241e-17 + H2 1.620e-17 1.658e-17 -16.790 -16.780 0.010 28.61 Na 1.002e-01 Na+ 1.002e-01 7.866e-02 -0.999 -1.104 -0.105 -1.09 - NaOH 7.488e-19 7.663e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.587 -58.577 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.832 -58.822 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.69 -58.58 -2.89 O2 + O2(g) -55.93 -58.82 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11334,7 +11305,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10647 Density (g/cm³) = 1.00116 Volume (L) = 1.00470 @@ -11342,9 +11313,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.004e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.529e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.747e-16 + Electrical balance (eq) = -2.344e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11361,22 +11332,21 @@ Reaction 1. Cl 1.004e-01 Cl- 1.004e-01 7.693e-02 -0.998 -1.114 -0.116 18.34 HCl 2.487e-09 2.744e-09 -8.604 -8.562 0.043 (0) -H(0) 3.580e-17 - H2 1.790e-17 1.832e-17 -16.747 -16.737 0.010 28.61 +H(0) 3.311e-17 + H2 1.656e-17 1.694e-17 -16.781 -16.771 0.010 28.61 Na 1.004e-01 Na+ 1.004e-01 7.879e-02 -0.998 -1.104 -0.105 -1.09 - NaOH 7.501e-19 7.676e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.919 -58.909 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.851 -58.841 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.74 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.02 -58.91 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11412,7 +11382,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10647 Density (g/cm³) = 1.00116 Volume (L) = 1.00470 @@ -11420,9 +11390,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.004e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.529e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.747e-16 + Electrical balance (eq) = -2.344e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11439,22 +11409,21 @@ Reaction 1. Cl 1.004e-01 Cl- 1.004e-01 7.693e-02 -0.998 -1.114 -0.116 18.34 HCl 2.487e-09 2.744e-09 -8.604 -8.562 0.043 (0) -H(0) 3.580e-17 - H2 1.790e-17 1.832e-17 -16.747 -16.737 0.010 28.61 +H(0) 3.311e-17 + H2 1.656e-17 1.694e-17 -16.781 -16.771 0.010 28.61 Na 1.004e-01 Na+ 1.004e-01 7.879e-02 -0.998 -1.104 -0.105 -1.09 - NaOH 7.501e-19 7.676e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.919 -58.909 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.851 -58.841 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.74 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.02 -58.91 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11490,7 +11459,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.111 Adjusted to redox equilibrium + pe = -0.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10698 Density (g/cm³) = 1.00119 Volume (L) = 1.00471 @@ -11498,9 +11467,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.009e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.096e-17 + Total alkalinity (eq/kg) = 3.098e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.793e-16 + Electrical balance (eq) = -5.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11517,22 +11486,21 @@ Reaction 1. Cl 1.009e-01 Cl- 1.009e-01 7.729e-02 -0.996 -1.112 -0.116 18.34 HCl 2.497e-09 2.757e-09 -8.603 -8.560 0.043 (0) -H(0) 2.472e-17 - H2 1.236e-17 1.265e-17 -16.908 -16.898 0.010 28.61 +H(0) 3.101e-17 + H2 1.550e-17 1.587e-17 -16.810 -16.799 0.010 28.61 Na 1.009e-01 Na+ 1.009e-01 7.916e-02 -0.996 -1.101 -0.105 -1.09 - NaOH 7.534e-19 7.711e-19 -18.123 -18.113 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.597 -58.587 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.794 -58.784 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.78 -2.21 1.57 NaCl - O2(g) -55.69 -58.59 -2.89 O2 + O2(g) -55.89 -58.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11568,7 +11536,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.144 Adjusted to redox equilibrium + pe = -0.135 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10954 Density (g/cm³) = 1.00129 Volume (L) = 1.00475 @@ -11576,9 +11544,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.035e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.745e-17 + Total alkalinity (eq/kg) = 2.717e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.631e-16 + Electrical balance (eq) = -7.160e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11595,22 +11563,21 @@ Reaction 1. Cl 1.035e-01 Cl- 1.035e-01 7.908e-02 -0.985 -1.102 -0.117 18.34 HCl 2.550e-09 2.822e-09 -8.593 -8.549 0.044 (0) -H(0) 2.885e-17 - H2 1.442e-17 1.477e-17 -16.841 -16.831 0.010 28.61 +H(0) 2.758e-17 + H2 1.379e-17 1.412e-17 -16.860 -16.850 0.010 28.61 Na 1.035e-01 Na+ 1.035e-01 8.105e-02 -0.985 -1.091 -0.106 -1.09 - NaOH 7.705e-19 7.891e-19 -18.113 -18.103 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.732 -58.722 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.693 -58.683 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.76 -2.19 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.79 -58.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11646,7 +11613,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.179 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11689 Density (g/cm³) = 1.00159 Volume (L) = 1.00488 @@ -11654,9 +11621,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.109e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.364e-17 + Total alkalinity (eq/kg) = 4.011e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.005e-15 + Electrical balance (eq) = -1.064e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11673,22 +11640,21 @@ Reaction 1. Cl 1.109e-01 Cl- 1.109e-01 8.421e-02 -0.955 -1.075 -0.120 18.35 HCl 2.699e-09 3.009e-09 -8.569 -8.522 0.047 (0) -H(0) 3.386e-17 - H2 1.693e-17 1.737e-17 -16.771 -16.760 0.011 28.61 +H(0) 4.613e-17 + H2 2.306e-17 2.366e-17 -16.637 -16.626 0.011 28.61 Na 1.109e-01 Na+ 1.109e-01 8.644e-02 -0.955 -1.063 -0.108 -1.07 - NaOH 8.192e-19 8.404e-19 -18.087 -18.075 0.011 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.874 -58.863 0.011 30.40 + O2 0.000e+00 0.000e+00 -59.142 -59.131 0.011 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.52 -16.63 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.71 -2.14 1.57 NaCl - O2(g) -55.97 -58.86 -2.89 O2 + O2(g) -56.24 -59.13 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11724,7 +11690,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.211 Adjusted to redox equilibrium + pe = -0.140 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11832 Density (g/cm³) = 1.00165 Volume (L) = 1.00491 @@ -11732,9 +11698,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.124e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.797e-17 + Total alkalinity (eq/kg) = 2.711e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.146e-15 + Electrical balance (eq) = -1.266e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11751,22 +11717,21 @@ Reaction 1. Cl 1.124e-01 Cl- 1.124e-01 8.522e-02 -0.949 -1.069 -0.120 18.36 HCl 2.728e-09 3.045e-09 -8.564 -8.516 0.048 (0) -H(0) 3.915e-17 - H2 1.957e-17 2.009e-17 -16.708 -16.697 0.011 28.61 +H(0) 2.825e-17 + H2 1.413e-17 1.450e-17 -16.850 -16.839 0.011 28.61 Na 1.124e-01 Na+ 1.124e-01 8.750e-02 -0.949 -1.058 -0.109 -1.07 - NaOH 8.287e-19 8.505e-19 -18.082 -18.070 0.011 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.000 -58.989 0.011 30.40 + O2 0.000e+00 0.000e+00 -58.717 -58.706 0.011 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.70 -2.13 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.81 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11802,7 +11767,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.198 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12553 Density (g/cm³) = 1.00195 Volume (L) = 1.00504 @@ -11810,9 +11775,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.198e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.632e-17 + Total alkalinity (eq/kg) = 2.665e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.261e-15 + Electrical balance (eq) = -1.548e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11829,22 +11794,21 @@ Reaction 1. Cl 1.198e-01 Cl- 1.198e-01 9.024e-02 -0.922 -1.045 -0.123 18.37 HCl 2.871e-09 3.228e-09 -8.542 -8.491 0.051 (0) -H(0) 3.693e-17 - H2 1.847e-17 1.898e-17 -16.734 -16.722 0.012 28.61 +H(0) 2.697e-17 + H2 1.349e-17 1.386e-17 -16.870 -16.858 0.012 28.61 Na 1.198e-01 Na+ 1.198e-01 9.280e-02 -0.922 -1.032 -0.111 -1.05 - NaOH 8.763e-19 9.008e-19 -18.057 -18.045 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.952 -58.940 0.012 30.40 + O2 0.000e+00 0.000e+00 -58.679 -58.667 0.012 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.65 -2.08 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -55.77 -58.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11880,7 +11844,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.135 Adjusted to redox equilibrium + pe = -0.152 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12651 Density (g/cm³) = 1.00199 Volume (L) = 1.00506 @@ -11888,9 +11852,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.208e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.760e-17 + Total alkalinity (eq/kg) = 2.872e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.510e-15 + Electrical balance (eq) = -1.746e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11907,22 +11871,21 @@ Reaction 1. Cl 1.208e-01 Cl- 1.208e-01 9.092e-02 -0.918 -1.041 -0.123 18.37 HCl 2.890e-09 3.253e-09 -8.539 -8.488 0.051 (0) -H(0) 2.761e-17 - H2 1.381e-17 1.419e-17 -16.860 -16.848 0.012 28.61 +H(0) 2.995e-17 + H2 1.498e-17 1.540e-17 -16.825 -16.813 0.012 28.61 Na 1.208e-01 Na+ 1.208e-01 9.352e-02 -0.918 -1.029 -0.111 -1.05 - NaOH 8.827e-19 9.076e-19 -18.054 -18.042 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.700 -58.688 0.012 30.40 + O2 0.000e+00 0.000e+00 -58.771 -58.758 0.012 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.64 -2.07 1.57 NaCl - O2(g) -55.80 -58.69 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11958,7 +11921,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.083 Adjusted to redox equilibrium + pe = -0.124 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14676 Density (g/cm³) = 1.00284 Volume (L) = 1.00543 @@ -11966,9 +11929,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.417e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.419e-17 + Total alkalinity (eq/kg) = 1.803e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.824e-15 + Electrical balance (eq) = -2.384e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11985,22 +11948,21 @@ Reaction 1. Cl 1.417e-01 Cl- 1.417e-01 1.050e-01 -0.849 -0.979 -0.130 18.39 HCl 3.279e-09 3.767e-09 -8.484 -8.424 0.060 (0) -H(0) 2.182e-17 - H2 1.091e-17 1.127e-17 -16.962 -16.948 0.014 28.61 +H(0) 2.627e-17 + H2 1.314e-17 1.357e-17 -16.882 -16.867 0.014 28.61 Na 1.417e-01 Na+ 1.417e-01 1.085e-01 -0.849 -0.965 -0.116 -1.02 - NaOH 1.015e-18 1.049e-18 -17.993 -17.979 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.502 -58.488 0.014 30.40 + O2 0.000e+00 0.000e+00 -58.664 -58.650 0.014 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.85 -16.95 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.51 -1.94 1.57 NaCl - O2(g) -55.60 -58.49 -2.89 O2 + O2(g) -55.76 -58.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12036,7 +11998,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.071 Adjusted to redox equilibrium + pe = -0.150 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14851 Density (g/cm³) = 1.00291 Volume (L) = 1.00546 @@ -12044,9 +12006,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.435e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.962e-17 + Total alkalinity (eq/kg) = 2.485e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.556e-15 + Electrical balance (eq) = -5.586e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12063,22 +12025,21 @@ Reaction 1. Cl 1.435e-01 Cl- 1.435e-01 1.062e-01 -0.843 -0.974 -0.131 18.40 HCl 3.312e-09 3.812e-09 -8.480 -8.419 0.061 (0) -H(0) 2.063e-17 - H2 1.031e-17 1.066e-17 -16.987 -16.972 0.014 28.61 +H(0) 2.968e-17 + H2 1.484e-17 1.534e-17 -16.829 -16.814 0.014 28.61 Na 1.435e-01 Na+ 1.435e-01 1.098e-01 -0.843 -0.960 -0.116 -1.01 - NaOH 1.027e-18 1.061e-18 -17.989 -17.974 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.454 -58.440 0.014 30.40 + O2 0.000e+00 0.000e+00 -58.770 -58.756 0.014 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.87 -16.97 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.50 -1.93 1.57 NaCl - O2(g) -55.55 -58.44 -2.89 O2 + O2(g) -55.86 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12114,7 +12075,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.247 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15340 Density (g/cm³) = 1.00312 Volume (L) = 1.00555 @@ -12122,9 +12083,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.486e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.361e-17 + Total alkalinity (eq/kg) = 4.638e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.690e-15 + Electrical balance (eq) = -7.219e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12141,22 +12102,21 @@ Reaction 1. Cl 1.486e-01 Cl- 1.486e-01 1.096e-01 -0.828 -0.960 -0.132 18.40 HCl 3.403e-09 3.936e-09 -8.468 -8.405 0.063 (0) -H(0) 4.535e-17 - H2 2.267e-17 2.346e-17 -16.644 -16.630 0.015 28.61 +H(0) 4.647e-17 + H2 2.323e-17 2.404e-17 -16.634 -16.619 0.015 28.61 Na 1.486e-01 Na+ 1.486e-01 1.134e-01 -0.828 -0.945 -0.117 -1.01 - NaOH 1.059e-18 1.095e-18 -17.975 -17.960 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.140 -59.125 0.015 30.40 + O2 0.000e+00 0.000e+00 -59.161 -59.146 0.015 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.48 -1.91 1.57 NaCl - O2(g) -56.23 -59.13 -2.89 O2 + O2(g) -56.25 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12192,7 +12152,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.114 Adjusted to redox equilibrium + pe = -0.206 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15856 Density (g/cm³) = 1.00333 Volume (L) = 1.00565 @@ -12200,9 +12160,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.540e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.392e-17 + Total alkalinity (eq/kg) = 3.603e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.882e-15 + Electrical balance (eq) = -6.917e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12219,22 +12179,21 @@ Reaction 1. Cl 1.540e-01 Cl- 1.540e-01 1.132e-01 -0.812 -0.946 -0.134 18.41 HCl 3.497e-09 4.067e-09 -8.456 -8.391 0.066 (0) -H(0) 2.517e-17 - H2 1.259e-17 1.304e-17 -16.900 -16.885 0.015 28.61 +H(0) 3.832e-17 + H2 1.916e-17 1.985e-17 -16.718 -16.702 0.015 28.61 Na 1.540e-01 Na+ 1.540e-01 1.172e-01 -0.812 -0.931 -0.119 -1.00 - NaOH 1.092e-18 1.131e-18 -17.962 -17.946 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.615 0.015 30.40 + O2 0.000e+00 0.000e+00 -58.996 -58.980 0.015 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.45 -1.88 1.57 NaCl - O2(g) -55.72 -58.62 -2.89 O2 + O2(g) -56.09 -58.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12270,7 +12229,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.306 Adjusted to redox equilibrium + pe = -0.312 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15989 Density (g/cm³) = 1.00339 Volume (L) = 1.00567 @@ -12278,9 +12237,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.554e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.476e-17 + Total alkalinity (eq/kg) = 3.527e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.264e-15 + Electrical balance (eq) = -9.320e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12297,22 +12256,21 @@ Reaction 1. Cl 1.554e-01 Cl- 1.554e-01 1.141e-01 -0.809 -0.943 -0.134 18.41 HCl 3.522e-09 4.101e-09 -8.453 -8.387 0.066 (0) -H(0) 6.091e-17 - H2 3.046e-17 3.157e-17 -16.516 -16.501 0.016 28.61 +H(0) 6.262e-17 + H2 3.131e-17 3.245e-17 -16.504 -16.489 0.016 28.61 Na 1.554e-01 Na+ 1.554e-01 1.182e-01 -0.809 -0.927 -0.119 -1.00 - NaOH 1.101e-18 1.141e-18 -17.958 -17.943 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.399 -59.383 0.016 30.40 + O2 0.000e+00 0.000e+00 -59.423 -59.407 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -13.39 -16.49 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.44 -1.87 1.57 NaCl - O2(g) -56.49 -59.38 -2.89 O2 + O2(g) -56.51 -59.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12348,7 +12306,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.089 Adjusted to redox equilibrium + pe = -0.136 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16641 Density (g/cm³) = 1.00367 Volume (L) = 1.00579 @@ -12356,9 +12314,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.623e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.235e-17 + Total alkalinity (eq/kg) = 2.285e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.104e-14 + Electrical balance (eq) = -1.190e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12375,22 +12333,21 @@ Reaction 1. Cl 1.623e-01 Cl- 1.623e-01 1.186e-01 -0.790 -0.926 -0.136 18.42 HCl 3.639e-09 4.266e-09 -8.439 -8.370 0.069 (0) -H(0) 2.240e-17 - H2 1.120e-17 1.162e-17 -16.951 -16.935 0.016 28.61 +H(0) 2.782e-17 + H2 1.391e-17 1.444e-17 -16.857 -16.840 0.016 28.61 Na 1.623e-01 Na+ 1.623e-01 1.231e-01 -0.790 -0.910 -0.120 -0.99 - NaOH 1.143e-18 1.186e-18 -17.942 -17.926 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.532 -58.516 0.016 30.40 + O2 0.000e+00 0.000e+00 -58.720 -58.704 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.83 -16.93 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.41 -1.84 1.57 NaCl - O2(g) -55.62 -58.52 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12426,7 +12383,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.098 Adjusted to redox equilibrium + pe = -0.163 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16882 Density (g/cm³) = 1.00377 Volume (L) = 1.00584 @@ -12434,9 +12391,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.648e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.272e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.313e-14 + Electrical balance (eq) = -1.078e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12453,22 +12410,21 @@ Reaction 1. Cl 1.648e-01 Cl- 1.648e-01 1.203e-01 -0.783 -0.920 -0.137 18.42 HCl 3.682e-09 4.328e-09 -8.434 -8.364 0.070 (0) -H(0) 2.339e-17 - H2 1.170e-17 1.215e-17 -16.932 -16.915 0.016 28.61 +H(0) 3.156e-17 + H2 1.578e-17 1.639e-17 -16.802 -16.785 0.016 28.61 Na 1.648e-01 Na+ 1.648e-01 1.248e-01 -0.783 -0.904 -0.121 -0.98 - NaOH 1.158e-18 1.203e-18 -17.936 -17.920 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.570 -58.554 0.016 30.40 + O2 0.000e+00 0.000e+00 -58.830 -58.814 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.81 -16.92 -3.10 H2 + H2(g) -13.68 -16.79 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.39 -1.82 1.57 NaCl - O2(g) -55.66 -58.55 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12504,7 +12460,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.154 Adjusted to redox equilibrium + pe = -0.237 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16952 Density (g/cm³) = 1.00380 Volume (L) = 1.00585 @@ -12512,9 +12468,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.655e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.987e-17 + Total alkalinity (eq/kg) = 4.390e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.351e-14 + Electrical balance (eq) = -1.294e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12531,22 +12487,21 @@ Reaction 1. Cl 1.655e-01 Cl- 1.655e-01 1.208e-01 -0.781 -0.918 -0.137 18.42 HCl 3.695e-09 4.345e-09 -8.432 -8.362 0.070 (0) -H(0) 3.025e-17 - H2 1.512e-17 1.571e-17 -16.820 -16.804 0.017 28.61 +H(0) 4.425e-17 + H2 2.212e-17 2.298e-17 -16.655 -16.639 0.017 28.61 Na 1.655e-01 Na+ 1.655e-01 1.254e-01 -0.781 -0.902 -0.121 -0.98 - NaOH 1.163e-18 1.208e-18 -17.934 -17.918 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.794 -58.777 0.017 30.40 + O2 0.000e+00 0.000e+00 -59.124 -59.108 0.017 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.54 -16.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.39 -1.82 1.57 NaCl - O2(g) -55.88 -58.78 -2.89 O2 + O2(g) -56.22 -59.11 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12582,7 +12537,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.439 Adjusted to redox equilibrium + pe = -0.135 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 17704 Density (g/cm³) = 1.00412 Volume (L) = 1.00600 @@ -12590,9 +12545,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.735e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.586e-17 + Total alkalinity (eq/kg) = 2.749e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.266e-10 + Electrical balance (eq) = -1.850e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12609,22 +12564,21 @@ Reaction 1. Cl 1.735e-01 Cl- 1.735e-01 1.260e-01 -0.761 -0.900 -0.139 18.43 HCl 3.827e-09 4.537e-09 -8.417 -8.343 0.074 (0) -H(0) 1.123e-16 - H2 5.615e-17 5.844e-17 -16.251 -16.233 0.017 28.61 +H(0) 2.765e-17 + H2 1.383e-17 1.439e-17 -16.859 -16.842 0.017 28.61 Na 1.735e-01 Na+ 1.735e-01 1.310e-01 -0.761 -0.883 -0.122 -0.97 - NaOH 1.211e-18 1.261e-18 -17.917 -17.899 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.936 -59.919 0.017 30.40 + O2 0.000e+00 0.000e+00 -58.719 -58.701 0.017 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.13 -16.23 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.35 -1.78 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12660,7 +12614,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.183 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18024 Density (g/cm³) = 1.00426 Volume (L) = 1.00606 @@ -12668,9 +12622,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.769e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.637e-17 + Total alkalinity (eq/kg) = 3.104e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.151e-14 + Electrical balance (eq) = -1.738e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12687,22 +12641,21 @@ Reaction 1. Cl 1.769e-01 Cl- 1.769e-01 1.282e-01 -0.752 -0.892 -0.140 18.43 HCl 3.883e-09 4.618e-09 -8.411 -8.336 0.075 (0) -H(0) 3.449e-17 - H2 1.724e-17 1.796e-17 -16.763 -16.746 0.018 28.61 +H(0) 3.316e-17 + H2 1.658e-17 1.727e-17 -16.780 -16.763 0.018 28.61 Na 1.769e-01 Na+ 1.769e-01 1.334e-01 -0.752 -0.875 -0.123 -0.96 - NaOH 1.232e-18 1.283e-18 -17.909 -17.892 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.912 -58.894 0.018 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.860 0.018 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.75 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.34 -1.77 1.57 NaCl - O2(g) -56.00 -58.89 -2.89 O2 + O2(g) -55.97 -58.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12738,7 +12691,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.280 Adjusted to redox equilibrium + pe = -0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18167 Density (g/cm³) = 1.00432 Volume (L) = 1.00608 @@ -12746,9 +12699,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.784e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.264e-17 + Total alkalinity (eq/kg) = 3.673e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.859e-14 + Electrical balance (eq) = -2.036e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12765,22 +12718,21 @@ Reaction 1. Cl 1.784e-01 Cl- 1.784e-01 1.292e-01 -0.749 -0.889 -0.140 18.44 HCl 3.908e-09 4.654e-09 -8.408 -8.332 0.076 (0) -H(0) 5.406e-17 - H2 2.703e-17 2.816e-17 -16.568 -16.550 0.018 28.61 +H(0) 3.684e-17 + H2 1.842e-17 1.919e-17 -16.735 -16.717 0.018 28.61 Na 1.784e-01 Na+ 1.784e-01 1.344e-01 -0.749 -0.871 -0.123 -0.96 - NaOH 1.241e-18 1.293e-18 -17.906 -17.888 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.303 -59.285 0.018 30.40 + O2 0.000e+00 0.000e+00 -58.969 -58.952 0.018 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.55 -3.10 H2 + H2(g) -13.62 -16.72 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.33 -1.76 1.57 NaCl - O2(g) -56.39 -59.28 -2.89 O2 + O2(g) -56.06 -58.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12816,7 +12768,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.204 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 19949 Density (g/cm³) = 1.00508 Volume (L) = 1.00643 @@ -12824,11 +12776,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.975e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.500e-17 + Total alkalinity (eq/kg) = 3.804e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.472e-10 + Electrical balance (eq) = -8.432e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12843,22 +12795,21 @@ Reaction 1. Cl 1.975e-01 Cl- 1.975e-01 1.415e-01 -0.704 -0.849 -0.145 18.46 HCl 4.209e-09 5.108e-09 -8.376 -8.292 0.084 (0) -H(0) 5.312e-17 - H2 2.656e-17 2.779e-17 -16.576 -16.556 0.020 28.61 +H(0) 3.810e-17 + H2 1.905e-17 1.994e-17 -16.720 -16.700 0.020 28.61 Na 1.975e-01 Na+ 1.975e-01 1.478e-01 -0.704 -0.830 -0.126 -0.94 - NaOH 1.355e-18 1.418e-18 -17.868 -17.848 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.293 -59.274 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.005 -58.985 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.56 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.38 -59.27 -2.89 O2 + O2(g) -56.09 -58.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12894,7 +12845,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.245 Adjusted to redox equilibrium + pe = -0.227 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20006 Density (g/cm³) = 1.00511 Volume (L) = 1.00644 @@ -12902,9 +12853,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.981e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.828e-17 + Total alkalinity (eq/kg) = 4.090e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.062e-14 + Electrical balance (eq) = -3.971e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12921,22 +12872,21 @@ Reaction 1. Cl 1.981e-01 Cl- 1.981e-01 1.419e-01 -0.703 -0.848 -0.145 18.46 HCl 4.219e-09 5.123e-09 -8.375 -8.291 0.084 (0) -H(0) 4.585e-17 - H2 2.293e-17 2.399e-17 -16.640 -16.620 0.020 28.61 +H(0) 4.220e-17 + H2 2.110e-17 2.209e-17 -16.676 -16.656 0.020 28.61 Na 1.981e-01 Na+ 1.981e-01 1.482e-01 -0.703 -0.829 -0.126 -0.93 - NaOH 1.359e-18 1.422e-18 -17.867 -17.847 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.166 -59.146 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.094 -59.074 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.52 -16.62 -3.10 H2 + H2(g) -13.55 -16.66 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.25 -59.15 -2.89 O2 + O2(g) -56.18 -59.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12972,7 +12922,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.173 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20042 Density (g/cm³) = 1.00512 Volume (L) = 1.00644 @@ -12980,9 +12930,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.985e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.109e-17 + Total alkalinity (eq/kg) = 2.514e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.676e-14 + Electrical balance (eq) = -2.546e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12999,22 +12949,21 @@ Reaction 1. Cl 1.985e-01 Cl- 1.985e-01 1.421e-01 -0.702 -0.847 -0.145 18.46 HCl 4.225e-09 5.132e-09 -8.374 -8.290 0.084 (0) -H(0) 3.579e-17 - H2 1.789e-17 1.873e-17 -16.747 -16.727 0.020 28.61 +H(0) 3.290e-17 + H2 1.645e-17 1.722e-17 -16.784 -16.764 0.020 28.61 Na 1.985e-01 Na+ 1.985e-01 1.485e-01 -0.702 -0.828 -0.126 -0.93 - NaOH 1.361e-18 1.425e-18 -17.866 -17.846 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.951 -58.931 0.020 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.858 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.63 -16.73 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.04 -58.93 -2.89 O2 + O2(g) -55.97 -58.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13050,7 +12999,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.199 Adjusted to redox equilibrium + pe = -0.229 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20182 Density (g/cm³) = 1.00518 Volume (L) = 1.00647 @@ -13058,9 +13007,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.468e-17 + Total alkalinity (eq/kg) = 2.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.553e-14 + Electrical balance (eq) = -4.585e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13077,22 +13026,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.431e-01 -0.699 -0.844 -0.145 18.46 HCl 4.248e-09 5.168e-09 -8.372 -8.287 0.085 (0) -H(0) 3.711e-17 - H2 1.856e-17 1.943e-17 -16.731 -16.711 0.020 28.61 +H(0) 4.273e-17 + H2 2.136e-17 2.237e-17 -16.670 -16.650 0.020 28.61 Na 2.000e-01 Na+ 2.000e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.434e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.983 -58.963 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.105 -59.085 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.07 -58.96 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13128,7 +13076,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.199 Adjusted to redox equilibrium + pe = -0.229 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20182 Density (g/cm³) = 1.00518 Volume (L) = 1.00647 @@ -13136,9 +13084,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.468e-17 + Total alkalinity (eq/kg) = 2.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.553e-14 + Electrical balance (eq) = -4.585e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13155,22 +13103,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.431e-01 -0.699 -0.844 -0.145 18.46 HCl 4.248e-09 5.168e-09 -8.372 -8.287 0.085 (0) -H(0) 3.711e-17 - H2 1.856e-17 1.943e-17 -16.731 -16.711 0.020 28.61 +H(0) 4.273e-17 + H2 2.136e-17 2.237e-17 -16.670 -16.650 0.020 28.61 Na 2.000e-01 Na+ 2.000e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.434e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.983 -58.963 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.105 -59.085 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.07 -58.96 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13206,7 +13153,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20191 Density (g/cm³) = 1.00519 Volume (L) = 1.00647 @@ -13214,11 +13161,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.163e-17 + Total alkalinity (eq/kg) = 4.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.081e-14 + Electrical balance (eq) = -4.029e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13233,22 +13180,21 @@ Reaction 1. Cl 2.001e-01 Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 HCl 4.249e-09 5.170e-09 -8.372 -8.287 0.085 (0) -H(0) 3.617e-17 - H2 1.808e-17 1.894e-17 -16.743 -16.723 0.020 28.61 +H(0) 4.612e-17 + H2 2.306e-17 2.415e-17 -16.637 -16.617 0.020 28.61 Na 2.001e-01 Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.435e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.961 -58.941 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.172 -59.152 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -56.26 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13284,7 +13230,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20191 Density (g/cm³) = 1.00519 Volume (L) = 1.00647 @@ -13292,11 +13238,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.163e-17 + Total alkalinity (eq/kg) = 4.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.081e-14 + Electrical balance (eq) = -4.029e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13311,22 +13257,21 @@ Reaction 1. Cl 2.001e-01 Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 HCl 4.249e-09 5.170e-09 -8.372 -8.287 0.085 (0) -H(0) 3.617e-17 - H2 1.808e-17 1.894e-17 -16.743 -16.723 0.020 28.61 +H(0) 4.612e-17 + H2 2.306e-17 2.415e-17 -16.637 -16.617 0.020 28.61 Na 2.001e-01 Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.435e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.961 -58.941 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.172 -59.152 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -56.26 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13362,7 +13307,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.149 Adjusted to redox equilibrium + pe = 0.001 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20302 Density (g/cm³) = 1.00524 Volume (L) = 1.00649 @@ -13370,11 +13315,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.485e-17 + Total alkalinity (eq/kg) = 8.408e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.855e-14 + Electrical balance (eq) = -1.458e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13389,22 +13334,21 @@ Reaction 1. Cl 2.013e-01 Cl- 2.013e-01 1.439e-01 -0.696 -0.842 -0.146 18.46 HCl 4.267e-09 5.198e-09 -8.370 -8.284 0.086 (0) -H(0) 2.957e-17 - H2 1.479e-17 1.549e-17 -16.830 -16.810 0.020 28.61 +H(0) 1.480e-17 + H2 7.399e-18 7.750e-18 -17.131 -17.111 0.020 28.61 Na 2.013e-01 Na+ 2.013e-01 1.505e-01 -0.696 -0.823 -0.126 -0.93 - NaOH 1.377e-18 1.443e-18 -17.861 -17.841 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.786 -58.766 0.020 30.40 + O2 0.000e+00 0.000e+00 -58.185 -58.165 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.81 -3.10 H2 + H2(g) -14.01 -17.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.23 -1.66 1.57 NaCl - O2(g) -55.87 -58.77 -2.89 O2 + O2(g) -55.27 -58.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13440,7 +13384,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.142 Adjusted to redox equilibrium + pe = -0.230 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20342 Density (g/cm³) = 1.00525 Volume (L) = 1.00650 @@ -13448,9 +13392,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.017e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.891e-17 + Total alkalinity (eq/kg) = 4.083e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.304e-14 + Electrical balance (eq) = -4.571e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13467,22 +13411,21 @@ Reaction 1. Cl 2.017e-01 Cl- 2.017e-01 1.442e-01 -0.695 -0.841 -0.146 18.46 HCl 4.274e-09 5.208e-09 -8.369 -8.283 0.086 (0) -H(0) 2.857e-17 - H2 1.429e-17 1.497e-17 -16.845 -16.825 0.020 28.61 +H(0) 4.281e-17 + H2 2.140e-17 2.242e-17 -16.669 -16.649 0.020 28.61 Na 2.017e-01 Na+ 2.017e-01 1.508e-01 -0.695 -0.822 -0.126 -0.93 - NaOH 1.380e-18 1.446e-18 -17.860 -17.840 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.756 -58.736 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.108 -59.087 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.23 -1.66 1.57 NaCl - O2(g) -55.84 -58.74 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13518,19 +13461,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.166 Adjusted to redox equilibrium + pe = -0.374 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21350 Density (g/cm³) = 1.00569 Volume (L) = 1.00670 - Viscosity (mPa s) = 0.90722 + Viscosity (mPa s) = 0.90723 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.126e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.578e-17 + Total alkalinity (eq/kg) = 4.013e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.587e-14 + Electrical balance (eq) = -7.087e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13545,22 +13488,21 @@ Reaction 1. Cl 2.126e-01 Cl- 2.126e-01 1.512e-01 -0.672 -0.821 -0.148 18.47 HCl 4.437e-09 5.465e-09 -8.353 -8.262 0.090 (0) -H(0) 3.196e-17 - H2 1.598e-17 1.678e-17 -16.796 -16.775 0.021 28.61 +H(0) 8.324e-17 + H2 4.162e-17 4.371e-17 -16.381 -16.359 0.021 28.61 Na 2.126e-01 Na+ 2.126e-01 1.584e-01 -0.672 -0.800 -0.128 -0.92 - NaOH 1.444e-18 1.516e-18 -17.840 -17.819 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.857 -58.836 0.021 30.40 + O2 0.000e+00 0.000e+00 -59.689 -59.667 0.021 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.67 -16.78 -3.10 H2 + H2(g) -13.26 -16.36 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.19 -1.62 1.57 NaCl - O2(g) -55.94 -58.84 -2.89 O2 + O2(g) -56.78 -59.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13596,7 +13538,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.222 Adjusted to redox equilibrium + pe = -0.435 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21910 Density (g/cm³) = 1.00593 Volume (L) = 1.00681 @@ -13604,11 +13546,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.187e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.036e-17 + Total alkalinity (eq/kg) = 3.279e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.989e-14 + Electrical balance (eq) = -9.134e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13623,22 +13565,21 @@ Reaction 1. Cl 2.187e-01 Cl- 2.187e-01 1.550e-01 -0.660 -0.810 -0.149 18.48 HCl 4.526e-09 5.608e-09 -8.344 -8.251 0.093 (0) -H(0) 4.126e-17 - H2 2.063e-17 2.170e-17 -16.686 -16.664 0.022 28.61 +H(0) 1.098e-16 + H2 5.490e-17 5.774e-17 -16.260 -16.239 0.022 28.61 Na 2.187e-01 Na+ 2.187e-01 1.626e-01 -0.660 -0.789 -0.129 -0.91 - NaOH 1.479e-18 1.556e-18 -17.830 -17.808 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.081 -59.059 0.022 30.40 + O2 0.000e+00 0.000e+00 -59.931 -59.909 0.022 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.56 -16.66 -3.10 H2 + H2(g) -13.14 -16.24 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.17 -1.60 1.57 NaCl - O2(g) -56.17 -59.06 -2.89 O2 + O2(g) -57.02 -59.91 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13674,7 +13615,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.351 Adjusted to redox equilibrium + pe = -0.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 22946 Density (g/cm³) = 1.00638 Volume (L) = 1.00701 @@ -13682,11 +13623,11 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.300e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.554e-17 + Total alkalinity (eq/kg) = 2.846e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.206e-14 + Electrical balance (eq) = -1.046e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13701,22 +13642,21 @@ Reaction 1. Cl 2.300e-01 Cl- 2.300e-01 1.622e-01 -0.638 -0.790 -0.152 18.49 HCl 4.687e-09 5.873e-09 -8.329 -8.231 0.098 (0) -H(0) 7.465e-17 - H2 3.733e-17 3.936e-17 -16.428 -16.405 0.023 28.61 +H(0) 3.100e-17 + H2 1.550e-17 1.635e-17 -16.810 -16.787 0.023 28.61 Na 2.300e-01 Na+ 2.300e-01 1.705e-01 -0.638 -0.768 -0.130 -0.89 - NaOH 1.545e-18 1.629e-18 -17.811 -17.788 0.023 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.600 -59.577 0.023 30.40 + O2 0.000e+00 0.000e+00 -58.837 -58.814 0.023 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.30 -16.40 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.13 -1.56 1.57 NaCl - O2(g) -56.68 -59.58 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13752,7 +13692,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.170 Adjusted to redox equilibrium + pe = -0.128 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 23521 Density (g/cm³) = 1.00664 Volume (L) = 1.00713 @@ -13760,9 +13700,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.363e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.231e-17 + Total alkalinity (eq/kg) = 2.108e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.198e-13 + Electrical balance (eq) = -7.993e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13779,22 +13719,21 @@ Reaction 1. Cl 2.363e-01 Cl- 2.363e-01 1.662e-01 -0.627 -0.779 -0.153 18.49 HCl 4.775e-09 6.020e-09 -8.321 -8.220 0.101 (0) -H(0) 3.240e-17 - H2 1.620e-17 1.711e-17 -16.790 -16.767 0.024 28.61 +H(0) 2.672e-17 + H2 1.336e-17 1.411e-17 -16.874 -16.850 0.024 28.61 Na 2.363e-01 Na+ 2.363e-01 1.749e-01 -0.627 -0.757 -0.131 -0.89 - NaOH 1.581e-18 1.670e-18 -17.801 -17.777 0.024 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.877 -58.853 0.024 30.40 + O2 0.000e+00 0.000e+00 -58.710 -58.686 0.024 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.67 -16.77 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.11 -1.54 1.57 NaCl - O2(g) -55.96 -58.85 -2.89 O2 + O2(g) -55.79 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13830,7 +13769,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.034 Adjusted to redox equilibrium + pe = -0.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24756 Density (g/cm³) = 1.00718 Volume (L) = 1.00737 @@ -13838,9 +13777,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.499e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.564e-17 + Total alkalinity (eq/kg) = 5.344e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.687e-13 + Electrical balance (eq) = -1.394e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13857,22 +13796,21 @@ Reaction 1. Cl 2.499e-01 Cl- 2.499e-01 1.747e-01 -0.602 -0.758 -0.155 18.51 HCl 4.960e-09 6.336e-09 -8.305 -8.198 0.106 (0) -H(0) 1.733e-17 - H2 8.663e-18 9.176e-18 -17.062 -17.037 0.025 28.61 +H(0) 6.267e-17 + H2 3.133e-17 3.319e-17 -16.504 -16.479 0.025 28.61 Na 2.499e-01 Na+ 2.499e-01 1.843e-01 -0.602 -0.734 -0.132 -0.87 - NaOH 1.659e-18 1.757e-18 -17.780 -17.755 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.338 -58.313 0.025 30.40 + O2 0.000e+00 0.000e+00 -59.454 -59.429 0.025 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.94 -17.04 -3.10 H2 + H2(g) -13.38 -16.48 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.06 -1.49 1.57 NaCl - O2(g) -55.42 -58.31 -2.89 O2 + O2(g) -56.54 -59.43 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13908,7 +13846,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.230 Adjusted to redox equilibrium + pe = -0.117 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24849 Density (g/cm³) = 1.00722 Volume (L) = 1.00739 @@ -13916,11 +13854,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.509e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.915e-17 + Total alkalinity (eq/kg) = 1.444e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.234e-14 + Electrical balance (eq) = -3.901e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13935,22 +13873,21 @@ Reaction 1. Cl 2.509e-01 Cl- 2.509e-01 1.753e-01 -0.600 -0.756 -0.156 18.51 HCl 4.973e-09 6.360e-09 -8.303 -8.197 0.107 (0) -H(0) 4.282e-17 - H2 2.141e-17 2.268e-17 -16.669 -16.644 0.025 28.61 +H(0) 2.544e-17 + H2 1.272e-17 1.348e-17 -16.896 -16.870 0.025 28.61 Na 2.509e-01 Na+ 2.509e-01 1.850e-01 -0.600 -0.733 -0.132 -0.87 - NaOH 1.665e-18 1.764e-18 -17.779 -17.754 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.124 -59.099 0.025 30.40 + O2 0.000e+00 0.000e+00 -58.672 -58.647 0.025 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.06 -1.49 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -55.75 -58.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13986,7 +13923,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.052 Adjusted to redox equilibrium + pe = -0.220 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25253 Density (g/cm³) = 1.00740 Volume (L) = 1.00747 @@ -13994,9 +13931,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.554e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.175e-18 + Total alkalinity (eq/kg) = -8.313e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-13 + Electrical balance (eq) = -1.437e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -14013,22 +13950,21 @@ Reaction 1. Cl 2.554e-01 Cl- 2.554e-01 1.781e-01 -0.593 -0.749 -0.156 18.51 HCl 5.032e-09 6.463e-09 -8.298 -8.190 0.109 (0) -H(0) 1.882e-17 - H2 9.410e-18 9.980e-18 -17.026 -17.001 0.026 28.61 +H(0) 4.073e-17 + H2 2.036e-17 2.160e-17 -16.691 -16.666 0.026 28.61 Na 2.554e-01 Na+ 2.554e-01 1.881e-01 -0.593 -0.726 -0.133 -0.86 - NaOH 1.690e-18 1.792e-18 -17.772 -17.747 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.411 -58.386 0.026 30.40 + O2 0.000e+00 0.000e+00 -59.082 -59.056 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.90 -17.00 -3.10 H2 + H2(g) -13.56 -16.67 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.04 -1.47 1.57 NaCl - O2(g) -55.49 -58.39 -2.89 O2 + O2(g) -56.16 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14064,7 +14000,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.395 Adjusted to redox equilibrium + pe = -0.249 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25520 Density (g/cm³) = 1.00752 Volume (L) = 1.00753 @@ -14072,11 +14008,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.584e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.778e-17 + Total alkalinity (eq/kg) = 4.278e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.718e-12 + Electrical balance (eq) = -1.457e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14091,22 +14027,21 @@ Reaction 1. Cl 2.584e-01 Cl- 2.584e-01 1.800e-01 -0.588 -0.745 -0.157 18.51 HCl 5.071e-09 6.532e-09 -8.295 -8.185 0.110 (0) -H(0) 9.140e-17 - H2 4.570e-17 4.850e-17 -16.340 -16.314 0.026 28.61 +H(0) 4.652e-17 + H2 2.326e-17 2.469e-17 -16.633 -16.608 0.026 28.61 Na 2.584e-01 Na+ 2.584e-01 1.902e-01 -0.588 -0.721 -0.133 -0.86 - NaOH 1.707e-18 1.811e-18 -17.768 -17.742 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.785 -59.759 0.026 30.40 + O2 0.000e+00 0.000e+00 -59.198 -59.173 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.21 -16.31 -3.10 H2 + H2(g) -13.51 -16.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.04 -1.47 1.57 NaCl - O2(g) -56.87 -59.76 -2.89 O2 + O2(g) -56.28 -59.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14142,7 +14077,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.200 Adjusted to redox equilibrium + pe = -0.198 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25882 Density (g/cm³) = 1.00768 Volume (L) = 1.00760 @@ -14150,9 +14085,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.624e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.772e-17 + Total alkalinity (eq/kg) = 3.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.480e-13 + Electrical balance (eq) = -1.998e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -14169,22 +14104,21 @@ Reaction 1. Cl 2.624e-01 Cl- 2.624e-01 1.825e-01 -0.581 -0.739 -0.158 18.52 HCl 5.122e-09 6.624e-09 -8.291 -8.179 0.112 (0) -H(0) 3.717e-17 - H2 1.859e-17 1.974e-17 -16.731 -16.705 0.026 28.61 +H(0) 3.678e-17 + H2 1.839e-17 1.954e-17 -16.735 -16.709 0.026 28.61 Na 2.624e-01 Na+ 2.624e-01 1.930e-01 -0.581 -0.714 -0.133 -0.85 - NaOH 1.729e-18 1.837e-18 -17.762 -17.736 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.005 -58.979 0.026 30.40 + O2 0.000e+00 0.000e+00 -58.996 -58.969 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.61 -16.71 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.02 -1.45 1.57 NaCl - O2(g) -56.09 -58.98 -2.89 O2 + O2(g) -56.08 -58.97 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14220,7 +14154,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = 0.018 Adjusted to redox equilibrium + pe = -0.366 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 27530 Density (g/cm³) = 1.00841 Volume (L) = 1.00793 @@ -14228,11 +14162,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.808e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.222e-17 + Total alkalinity (eq/kg) = 4.057e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.043e-13 + Electrical balance (eq) = -5.404e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14247,22 +14181,21 @@ Reaction 1. Cl 2.808e-01 Cl- 2.808e-01 1.939e-01 -0.552 -0.712 -0.161 18.53 HCl 5.353e-09 7.048e-09 -8.271 -8.152 0.119 (0) -H(0) 1.362e-17 - H2 6.811e-18 7.266e-18 -17.167 -17.139 0.028 28.61 +H(0) 7.960e-17 + H2 3.980e-17 4.246e-17 -16.400 -16.372 0.028 28.61 Na 2.808e-01 Na+ 2.808e-01 2.057e-01 -0.552 -0.687 -0.135 -0.83 - NaOH 1.832e-18 1.954e-18 -17.737 -17.709 0.028 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.139 -58.111 0.028 30.40 + O2 0.000e+00 0.000e+00 -59.672 -59.644 0.028 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.04 -17.14 -3.10 H2 + H2(g) -13.27 -16.37 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.97 -1.40 1.57 NaCl - O2(g) -55.22 -58.11 -2.89 O2 + O2(g) -56.75 -59.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14298,7 +14231,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.184 Adjusted to redox equilibrium + pe = -0.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 28175 Density (g/cm³) = 1.00869 Volume (L) = 1.00807 @@ -14306,11 +14239,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.880e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.130e-17 + Total alkalinity (eq/kg) = 5.839e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.524e-13 + Electrical balance (eq) = -4.776e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14325,22 +14258,21 @@ Reaction 1. Cl 2.880e-01 Cl- 2.880e-01 1.983e-01 -0.541 -0.703 -0.162 18.54 HCl 5.440e-09 7.214e-09 -8.264 -8.142 0.123 (0) -H(0) 3.440e-17 - H2 1.720e-17 1.838e-17 -16.765 -16.736 0.029 28.61 +H(0) 6.235e-17 + H2 3.117e-17 3.331e-17 -16.506 -16.477 0.029 28.61 Na 2.880e-01 Na+ 2.880e-01 2.108e-01 -0.541 -0.676 -0.136 -0.83 - NaOH 1.872e-18 2.001e-18 -17.728 -17.699 0.029 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.946 -58.917 0.029 30.40 + O2 0.000e+00 0.000e+00 -59.462 -59.434 0.029 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.63 -16.74 -3.10 H2 + H2(g) -13.38 -16.48 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.95 -1.38 1.57 NaCl - O2(g) -56.02 -58.92 -2.89 O2 + O2(g) -56.54 -59.43 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14376,7 +14308,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.371 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29168 Density (g/cm³) = 1.00914 Volume (L) = 1.00827 @@ -14384,11 +14316,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.593e-17 + Total alkalinity (eq/kg) = 2.166e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.573e-13 + Electrical balance (eq) = -4.357e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14403,22 +14335,21 @@ Reaction 1. Cl 2.992e-01 Cl- 2.992e-01 2.052e-01 -0.524 -0.688 -0.164 18.55 HCl 5.572e-09 7.470e-09 -8.254 -8.127 0.127 (0) -H(0) 8.139e-17 - H2 4.069e-17 4.360e-17 -16.390 -16.361 0.030 28.61 +H(0) 4.547e-17 + H2 2.274e-17 2.436e-17 -16.643 -16.613 0.030 28.61 Na 2.992e-01 Na+ 2.992e-01 2.185e-01 -0.524 -0.661 -0.136 -0.81 - NaOH 1.934e-18 2.072e-18 -17.714 -17.684 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.698 -59.668 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.192 -59.162 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.26 -16.36 -3.10 H2 + H2(g) -13.51 -16.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.78 -59.67 -2.89 O2 + O2(g) -56.27 -59.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14454,7 +14385,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.175 Adjusted to redox equilibrium + pe = -0.401 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29216 Density (g/cm³) = 1.00916 Volume (L) = 1.00828 @@ -14462,11 +14393,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.309e-18 + Total alkalinity (eq/kg) = 1.984e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.130e-09 + Electrical balance (eq) = -4.183e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14481,22 +14412,21 @@ Reaction 1. Cl 2.997e-01 Cl- 2.997e-01 2.055e-01 -0.523 -0.687 -0.164 18.55 HCl 5.578e-09 7.482e-09 -8.254 -8.126 0.128 (0) -H(0) 3.298e-17 - H2 1.649e-17 1.767e-17 -16.783 -16.753 0.030 28.61 +H(0) 9.344e-17 + H2 4.672e-17 5.006e-17 -16.330 -16.301 0.030 28.61 Na 2.997e-01 Na+ 2.997e-01 2.189e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.937e-18 2.075e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.913 -58.883 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.818 -59.788 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -55.99 -58.88 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14532,7 +14462,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.175 Adjusted to redox equilibrium + pe = -0.401 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29216 Density (g/cm³) = 1.00916 Volume (L) = 1.00828 @@ -14540,11 +14470,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.309e-18 + Total alkalinity (eq/kg) = 1.984e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.130e-09 + Electrical balance (eq) = -4.183e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14559,22 +14489,21 @@ Reaction 1. Cl 2.997e-01 Cl- 2.997e-01 2.055e-01 -0.523 -0.687 -0.164 18.55 HCl 5.578e-09 7.482e-09 -8.254 -8.126 0.128 (0) -H(0) 3.298e-17 - H2 1.649e-17 1.767e-17 -16.783 -16.753 0.030 28.61 +H(0) 9.344e-17 + H2 4.672e-17 5.006e-17 -16.330 -16.301 0.030 28.61 Na 2.997e-01 Na+ 2.997e-01 2.189e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.937e-18 2.075e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.913 -58.883 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.818 -59.788 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -55.99 -58.88 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14610,7 +14539,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.178 Adjusted to redox equilibrium + pe = -0.598 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29232 Density (g/cm³) = 1.00917 Volume (L) = 1.00828 @@ -14618,11 +14547,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.999e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.846e-18 + Total alkalinity (eq/kg) = 1.637e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.509e-13 + Electrical balance (eq) = -1.571e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14637,22 +14566,21 @@ Reaction 1. Cl 2.999e-01 Cl- 2.999e-01 2.056e-01 -0.523 -0.687 -0.164 18.55 HCl 5.580e-09 7.486e-09 -8.253 -8.126 0.128 (0) -H(0) 3.352e-17 - H2 1.676e-17 1.796e-17 -16.776 -16.746 0.030 28.61 +H(0) 2.315e-16 + H2 1.158e-16 1.240e-16 -15.936 -15.906 0.030 28.61 Na 2.999e-01 Na+ 2.999e-01 2.190e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.938e-18 2.076e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.927 -58.897 0.030 30.40 + O2 0.000e+00 0.000e+00 -60.606 -60.576 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.75 -3.10 H2 + H2(g) -12.81 -15.91 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.01 -58.90 -2.89 O2 + O2(g) -57.68 -60.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14688,7 +14616,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.237 Adjusted to redox equilibrium + pe = -0.374 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29241 Density (g/cm³) = 1.00917 Volume (L) = 1.00829 @@ -14696,11 +14624,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.973e-17 + Total alkalinity (eq/kg) = 5.787e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.280e-14 + Electrical balance (eq) = -1.077e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14715,22 +14643,21 @@ Reaction 1. Cl 3.000e-01 Cl- 3.000e-01 2.057e-01 -0.523 -0.687 -0.164 18.55 HCl 5.581e-09 7.488e-09 -8.253 -8.126 0.128 (0) -H(0) 4.405e-17 - H2 2.202e-17 2.360e-17 -16.657 -16.627 0.030 28.61 +H(0) 8.271e-17 + H2 4.136e-17 4.431e-17 -16.383 -16.353 0.030 28.61 Na 3.000e-01 Na+ 3.000e-01 2.191e-01 -0.523 -0.659 -0.136 -0.81 - NaOH 1.938e-18 2.077e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.165 -59.135 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.712 -59.682 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.24 -59.13 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14766,7 +14693,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.406 Adjusted to redox equilibrium + pe = -0.113 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29264 Density (g/cm³) = 1.00918 Volume (L) = 1.00829 @@ -14774,11 +14701,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.003e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.566e-17 + Total alkalinity (eq/kg) = 2.398e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.218e-13 + Electrical balance (eq) = -4.237e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14793,22 +14720,21 @@ Reaction 1. Cl 3.003e-01 Cl- 3.003e-01 2.059e-01 -0.523 -0.686 -0.164 18.55 HCl 5.584e-09 7.494e-09 -8.253 -8.125 0.128 (0) -H(0) 9.583e-17 - H2 4.791e-17 5.134e-17 -16.320 -16.290 0.030 28.61 +H(0) 2.481e-17 + H2 1.240e-17 1.329e-17 -16.906 -16.876 0.030 28.61 Na 3.003e-01 Na+ 3.003e-01 2.193e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.940e-18 2.079e-18 -17.712 -17.682 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.840 -59.810 0.030 30.40 + O2 0.000e+00 0.000e+00 -58.666 -58.636 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.78 -16.88 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -55.74 -58.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14844,7 +14770,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.217 Adjusted to redox equilibrium + pe = -0.406 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29283 Density (g/cm³) = 1.00919 Volume (L) = 1.00830 @@ -14852,11 +14778,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.005e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.283e-17 + Total alkalinity (eq/kg) = 7.204e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.916e-13 + Electrical balance (eq) = -1.220e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14871,22 +14797,21 @@ Reaction 1. Cl 3.005e-01 Cl- 3.005e-01 2.060e-01 -0.522 -0.686 -0.164 18.55 HCl 5.587e-09 7.499e-09 -8.253 -8.125 0.128 (0) -H(0) 4.004e-17 - H2 2.002e-17 2.145e-17 -16.699 -16.668 0.030 28.61 +H(0) 9.586e-17 + H2 4.793e-17 5.136e-17 -16.319 -16.289 0.030 28.61 Na 3.005e-01 Na+ 3.005e-01 2.194e-01 -0.522 -0.659 -0.137 -0.81 - NaOH 1.941e-18 2.080e-18 -17.712 -17.682 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.082 -59.052 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.840 -59.810 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.57 -16.67 -3.10 H2 + H2(g) -13.19 -16.29 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.91 -1.34 1.57 NaCl - O2(g) -56.16 -59.05 -2.89 O2 + O2(g) -56.92 -59.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14922,7 +14847,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.244 Adjusted to redox equilibrium + pe = -0.233 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29612 Density (g/cm³) = 1.00934 Volume (L) = 1.00836 @@ -14930,9 +14855,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.042e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.542e-17 + Total alkalinity (eq/kg) = 3.490e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.775e-13 + Electrical balance (eq) = -4.310e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -14949,22 +14874,21 @@ Reaction 1. Cl 3.042e-01 Cl- 3.042e-01 2.083e-01 -0.517 -0.681 -0.165 18.55 HCl 5.629e-09 7.584e-09 -8.250 -8.120 0.129 (0) -H(0) 4.544e-17 - H2 2.272e-17 2.437e-17 -16.644 -16.613 0.030 28.61 +H(0) 4.309e-17 + H2 2.154e-17 2.311e-17 -16.667 -16.636 0.030 28.61 Na 3.042e-01 Na+ 3.042e-01 2.220e-01 -0.517 -0.654 -0.137 -0.81 - NaOH 1.961e-18 2.104e-18 -17.707 -17.677 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.193 -59.163 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.147 -59.117 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.54 -16.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.91 -1.34 1.57 NaCl - O2(g) -56.27 -59.16 -2.89 O2 + O2(g) -56.22 -59.12 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15000,7 +14924,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.635 Adjusted to redox equilibrium + pe = -0.050 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 30066 Density (g/cm³) = 1.00954 Volume (L) = 1.00846 @@ -15008,9 +14932,9 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.093e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.264e-17 + Total alkalinity (eq/kg) = -6.079e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.259e-13 + Electrical balance (eq) = -9.303e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -15027,22 +14951,21 @@ Reaction 1. Cl 3.093e-01 Cl- 3.093e-01 2.114e-01 -0.510 -0.675 -0.165 18.56 HCl 5.688e-09 7.702e-09 -8.245 -8.113 0.132 (0) -H(0) 2.747e-16 - H2 1.373e-16 1.475e-16 -15.862 -15.831 0.031 28.61 +H(0) 1.854e-17 + H2 9.269e-18 9.953e-18 -17.033 -17.002 0.031 28.61 Na 3.093e-01 Na+ 3.093e-01 2.256e-01 -0.510 -0.647 -0.137 -0.80 - NaOH 1.989e-18 2.136e-18 -17.701 -17.670 0.031 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.757 -60.727 0.031 30.40 + O2 0.000e+00 0.000e+00 -58.416 -58.385 0.031 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -13.90 -17.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.89 -1.32 1.57 NaCl - O2(g) -57.83 -60.73 -2.89 O2 + O2(g) -55.49 -58.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15078,7 +15001,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.290 Adjusted to redox equilibrium + pe = -0.187 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 31004 Density (g/cm³) = 1.00996 Volume (L) = 1.00865 @@ -15086,9 +15009,9 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.200e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.177e-17 + Total alkalinity (eq/kg) = 1.486e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.413e-13 + Electrical balance (eq) = -6.223e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -15105,22 +15028,21 @@ Reaction 1. Cl 3.200e-01 Cl- 3.200e-01 2.179e-01 -0.495 -0.662 -0.167 18.56 HCl 5.806e-09 7.944e-09 -8.236 -8.100 0.136 (0) -H(0) 5.610e-17 - H2 2.805e-17 3.020e-17 -16.552 -16.520 0.032 28.61 +H(0) 3.481e-17 + H2 1.741e-17 1.874e-17 -16.759 -16.727 0.032 28.61 Na 3.200e-01 Na+ 3.200e-01 2.330e-01 -0.495 -0.633 -0.138 -0.79 - NaOH 2.047e-18 2.204e-18 -17.689 -17.657 0.032 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.381 -59.349 0.032 30.40 + O2 0.000e+00 0.000e+00 -58.967 -58.935 0.032 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.42 -16.52 -3.10 H2 + H2(g) -13.63 -16.73 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.86 -1.29 1.57 NaCl - O2(g) -56.46 -59.35 -2.89 O2 + O2(g) -56.04 -58.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15156,7 +15078,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.005 Adjusted to redox equilibrium + pe = -0.765 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 31824 Density (g/cm³) = 1.01033 Volume (L) = 1.00882 @@ -15164,11 +15086,11 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.294e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.270e-18 + Total alkalinity (eq/kg) = 2.325e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.914e-13 + Electrical balance (eq) = -5.498e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15183,22 +15105,21 @@ Reaction 1. Cl 3.294e-01 Cl- 3.294e-01 2.236e-01 -0.482 -0.651 -0.168 18.57 HCl 5.906e-09 8.157e-09 -8.229 -8.088 0.140 (0) -H(0) 1.506e-17 - H2 7.532e-18 8.126e-18 -17.123 -17.090 0.033 28.61 +H(0) 4.975e-16 + H2 2.488e-16 2.684e-16 -15.604 -15.571 0.033 28.61 Na 3.294e-01 Na+ 3.294e-01 2.395e-01 -0.482 -0.621 -0.138 -0.78 - NaOH 2.098e-18 2.263e-18 -17.678 -17.645 0.033 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.242 -58.210 0.033 30.40 + O2 0.000e+00 0.000e+00 -61.280 -61.247 0.033 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.09 -3.10 H2 + H2(g) -12.47 -15.57 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.84 -1.27 1.57 NaCl - O2(g) -55.32 -58.21 -2.89 O2 + O2(g) -58.35 -61.25 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15234,7 +15155,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.253 Adjusted to redox equilibrium + pe = -0.066 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 32710 Density (g/cm³) = 1.01073 Volume (L) = 1.00901 @@ -15242,11 +15163,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.395e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.744e-17 + Total alkalinity (eq/kg) = -2.053e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.941e-14 + Electrical balance (eq) = -5.940e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15261,22 +15182,21 @@ Reaction 1. Cl 3.395e-01 Cl- 3.395e-01 2.298e-01 -0.469 -0.639 -0.170 18.58 HCl 6.013e-09 8.386e-09 -8.221 -8.076 0.144 (0) -H(0) 4.704e-17 - H2 2.352e-17 2.543e-17 -16.629 -16.595 0.034 28.61 +H(0) 1.990e-17 + H2 9.950e-18 1.076e-17 -17.002 -16.968 0.034 28.61 Na 3.395e-01 Na+ 3.395e-01 2.465e-01 -0.469 -0.608 -0.139 -0.77 - NaOH 2.152e-18 2.328e-18 -17.667 -17.633 0.034 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.235 -59.201 0.034 30.40 + O2 0.000e+00 0.000e+00 -58.488 -58.454 0.034 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.49 -16.59 -3.10 H2 + H2(g) -13.87 -16.97 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.82 -1.25 1.57 NaCl - O2(g) -56.31 -59.20 -2.89 O2 + O2(g) -55.56 -58.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15312,7 +15232,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.334 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33433 Density (g/cm³) = 1.01106 Volume (L) = 1.00916 @@ -15320,11 +15240,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.478e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.466e-17 + Total alkalinity (eq/kg) = 2.578e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.928e-13 + Electrical balance (eq) = -2.981e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15339,22 +15259,21 @@ Reaction 1. Cl 3.478e-01 Cl- 3.478e-01 2.348e-01 -0.459 -0.629 -0.171 18.59 HCl 6.098e-09 8.574e-09 -8.215 -8.067 0.148 (0) -H(0) 6.853e-17 - H2 3.426e-17 3.712e-17 -16.465 -16.430 0.035 28.61 +H(0) 3.087e-17 + H2 1.544e-17 1.672e-17 -16.811 -16.777 0.035 28.61 Na 3.478e-01 Na+ 3.478e-01 2.523e-01 -0.459 -0.598 -0.139 -0.76 - NaOH 2.197e-18 2.380e-18 -17.658 -17.623 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.564 -59.530 0.035 30.40 + O2 0.000e+00 0.000e+00 -58.872 -58.837 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.33 -16.43 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.80 -1.23 1.57 NaCl - O2(g) -56.64 -59.53 -2.89 O2 + O2(g) -55.94 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15390,7 +15309,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.200 Adjusted to redox equilibrium + pe = -0.131 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33579 Density (g/cm³) = 1.01113 Volume (L) = 1.00920 @@ -15398,11 +15317,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.495e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.379e-17 + Total alkalinity (eq/kg) = 1.933e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.000e-15 + Electrical balance (eq) = -9.377e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15417,22 +15336,21 @@ Reaction 1. Cl 3.495e-01 Cl- 3.495e-01 2.358e-01 -0.457 -0.627 -0.171 18.59 HCl 6.115e-09 8.612e-09 -8.214 -8.065 0.149 (0) -H(0) 3.689e-17 - H2 1.844e-17 1.999e-17 -16.734 -16.699 0.035 28.61 +H(0) 2.690e-17 + H2 1.345e-17 1.458e-17 -16.871 -16.836 0.035 28.61 Na 3.495e-01 Na+ 3.495e-01 2.534e-01 -0.457 -0.596 -0.140 -0.76 - NaOH 2.206e-18 2.391e-18 -17.656 -17.621 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.027 -58.992 0.035 30.40 + O2 0.000e+00 0.000e+00 -58.753 -58.718 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.79 -1.22 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.83 -58.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15468,7 +15386,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = 0.068 Adjusted to redox equilibrium + pe = -0.500 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33762 Density (g/cm³) = 1.01121 Volume (L) = 1.00923 @@ -15476,11 +15394,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.516e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.130e-17 + Total alkalinity (eq/kg) = 6.818e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.198e-14 + Electrical balance (eq) = -9.965e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15495,22 +15413,21 @@ Reaction 1. Cl 3.516e-01 Cl- 3.516e-01 2.371e-01 -0.454 -0.625 -0.171 18.59 HCl 6.136e-09 8.660e-09 -8.212 -8.062 0.150 (0) -H(0) 1.074e-17 - H2 5.371e-18 5.824e-18 -17.270 -17.235 0.035 28.61 +H(0) 1.471e-16 + H2 7.354e-17 7.974e-17 -16.133 -16.098 0.035 28.61 Na 3.516e-01 Na+ 3.516e-01 2.549e-01 -0.454 -0.594 -0.140 -0.76 - NaOH 2.217e-18 2.404e-18 -17.654 -17.619 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.956 -57.921 0.035 30.40 + O2 0.000e+00 0.000e+00 -60.229 -60.194 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.13 -17.23 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.79 -1.22 1.57 NaCl - O2(g) -55.03 -57.92 -2.89 O2 + O2(g) -57.30 -60.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15546,7 +15463,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.228 Adjusted to redox equilibrium + pe = -0.222 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 34073 Density (g/cm³) = 1.01135 Volume (L) = 1.00930 @@ -15554,9 +15471,9 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.552e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.701e-17 + Total alkalinity (eq/kg) = 3.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.451e-13 + Electrical balance (eq) = -1.025e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -15573,22 +15490,21 @@ Reaction 1. Cl 3.552e-01 Cl- 3.552e-01 2.392e-01 -0.450 -0.621 -0.172 18.59 HCl 6.171e-09 8.741e-09 -8.210 -8.058 0.151 (0) -H(0) 4.188e-17 - H2 2.094e-17 2.273e-17 -16.679 -16.643 0.036 28.61 +H(0) 4.074e-17 + H2 2.037e-17 2.211e-17 -16.691 -16.655 0.036 28.61 Na 3.552e-01 Na+ 3.552e-01 2.574e-01 -0.450 -0.589 -0.140 -0.76 - NaOH 2.236e-18 2.427e-18 -17.650 -17.615 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.139 -59.104 0.036 30.40 + O2 0.000e+00 0.000e+00 -59.115 -59.080 0.036 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -13.55 -16.66 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.78 -1.21 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -56.19 -59.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15624,7 +15540,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.430 Adjusted to redox equilibrium + pe = -0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 34557 Density (g/cm³) = 1.01157 Volume (L) = 1.00940 @@ -15632,11 +15548,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.608e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.800e-17 + Total alkalinity (eq/kg) = 3.419e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.017e-14 + Electrical balance (eq) = -9.818e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15651,22 +15567,21 @@ Reaction 1. Cl 3.608e-01 Cl- 3.608e-01 2.426e-01 -0.443 -0.615 -0.172 18.60 HCl 6.226e-09 8.867e-09 -8.206 -8.052 0.154 (0) -H(0) 1.060e-16 - H2 5.301e-17 5.760e-17 -16.276 -16.240 0.036 28.61 +H(0) 3.637e-17 + H2 1.818e-17 1.976e-17 -16.740 -16.704 0.036 28.61 Na 3.608e-01 Na+ 3.608e-01 2.613e-01 -0.443 -0.583 -0.140 -0.75 - NaOH 2.266e-18 2.462e-18 -17.645 -17.609 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.948 -59.912 0.036 30.40 + O2 0.000e+00 0.000e+00 -59.018 -58.982 0.036 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.77 -1.20 1.57 NaCl - O2(g) -57.02 -59.91 -2.89 O2 + O2(g) -56.09 -58.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15702,7 +15617,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.152 Adjusted to redox equilibrium + pe = -0.446 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37186 Density (g/cm³) = 1.01278 Volume (L) = 1.00997 @@ -15710,11 +15625,11 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 3.914e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.649e-17 + Total alkalinity (eq/kg) = 7.944e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.862e-15 + Electrical balance (eq) = -6.231e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15729,22 +15644,21 @@ Reaction 1. Cl 3.914e-01 Cl- 3.914e-01 2.609e-01 -0.407 -0.583 -0.176 18.62 HCl 6.510e-09 9.554e-09 -8.186 -8.020 0.167 (0) -H(0) 2.939e-17 - H2 1.469e-17 1.608e-17 -16.833 -16.794 0.039 28.61 +H(0) 1.139e-16 + H2 5.696e-17 6.233e-17 -16.244 -16.205 0.039 28.61 Na 3.914e-01 Na+ 3.914e-01 2.826e-01 -0.407 -0.549 -0.141 -0.72 - NaOH 2.426e-18 2.655e-18 -17.615 -17.576 0.039 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.843 -58.804 0.039 30.40 + O2 0.000e+00 0.000e+00 -60.020 -59.981 0.039 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.10 -16.21 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.70 -1.13 1.57 NaCl - O2(g) -55.91 -58.80 -2.89 O2 + O2(g) -57.09 -59.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15780,7 +15694,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.352 Adjusted to redox equilibrium + pe = -0.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37890 Density (g/cm³) = 1.01310 Volume (L) = 1.01012 @@ -15788,11 +15702,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 3.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.380e-17 + Total alkalinity (eq/kg) = 6.018e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.427e-13 + Electrical balance (eq) = -5.074e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15807,22 +15721,21 @@ Reaction 1. Cl 3.997e-01 Cl- 3.997e-01 2.659e-01 -0.398 -0.575 -0.177 18.62 HCl 6.583e-09 9.739e-09 -8.182 -8.012 0.170 (0) -H(0) 7.399e-17 - H2 3.699e-17 4.056e-17 -16.432 -16.392 0.040 28.61 +H(0) 6.802e-17 + H2 3.401e-17 3.729e-17 -16.468 -16.428 0.040 28.61 Na 3.997e-01 Na+ 3.997e-01 2.883e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.469e-18 2.707e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.648 -59.608 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.575 -59.535 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.29 -16.39 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.69 -1.12 1.57 NaCl - O2(g) -56.72 -59.61 -2.89 O2 + O2(g) -56.64 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15858,7 +15771,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.352 Adjusted to redox equilibrium + pe = -0.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37890 Density (g/cm³) = 1.01310 Volume (L) = 1.01012 @@ -15866,11 +15779,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 3.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.380e-17 + Total alkalinity (eq/kg) = 6.018e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.427e-13 + Electrical balance (eq) = -5.074e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15885,22 +15798,21 @@ Reaction 1. Cl 3.997e-01 Cl- 3.997e-01 2.659e-01 -0.398 -0.575 -0.177 18.62 HCl 6.583e-09 9.739e-09 -8.182 -8.012 0.170 (0) -H(0) 7.399e-17 - H2 3.699e-17 4.056e-17 -16.432 -16.392 0.040 28.61 +H(0) 6.802e-17 + H2 3.401e-17 3.729e-17 -16.468 -16.428 0.040 28.61 Na 3.997e-01 Na+ 3.997e-01 2.883e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.469e-18 2.707e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.648 -59.608 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.575 -59.535 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.29 -16.39 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.69 -1.12 1.57 NaCl - O2(g) -56.72 -59.61 -2.89 O2 + O2(g) -56.64 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15936,7 +15848,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.276 Adjusted to redox equilibrium + pe = -0.190 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37919 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -15944,11 +15856,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.483e-17 + Total alkalinity (eq/kg) = 3.469e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.612e-15 + Electrical balance (eq) = -7.053e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15963,22 +15875,21 @@ Reaction 1. Cl 4.000e-01 Cl- 4.000e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.746e-09 -8.181 -8.011 0.170 (0) -H(0) 5.213e-17 - H2 2.607e-17 2.858e-17 -16.584 -16.544 0.040 28.61 +H(0) 3.495e-17 + H2 1.748e-17 1.916e-17 -16.758 -16.718 0.040 28.61 Na 4.000e-01 Na+ 4.000e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.471e-18 2.709e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.344 -59.304 0.040 30.40 + O2 0.000e+00 0.000e+00 -58.997 -58.957 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.44 -16.54 -3.10 H2 + H2(g) -13.62 -16.72 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.41 -59.30 -2.89 O2 + O2(g) -56.06 -58.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16014,7 +15925,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.187 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37927 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -16022,11 +15933,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.036e-17 + Total alkalinity (eq/kg) = 1.028e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.432e-14 + Electrical balance (eq) = -2.739e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16041,22 +15952,21 @@ Reaction 1. Cl 4.001e-01 Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.748e-09 -8.181 -8.011 0.170 (0) -H(0) 3.452e-17 - H2 1.726e-17 1.893e-17 -16.763 -16.723 0.040 28.61 +H(0) 8.062e-17 + H2 4.031e-17 4.420e-17 -16.395 -16.355 0.040 28.61 Na 4.001e-01 Na+ 4.001e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.472e-18 2.710e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.986 -58.946 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.723 -59.683 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.05 -58.95 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16092,7 +16002,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.187 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37927 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -16100,11 +16010,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.036e-17 + Total alkalinity (eq/kg) = 1.028e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.432e-14 + Electrical balance (eq) = -2.739e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16119,22 +16029,21 @@ Reaction 1. Cl 4.001e-01 Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.748e-09 -8.181 -8.011 0.170 (0) -H(0) 3.452e-17 - H2 1.726e-17 1.893e-17 -16.763 -16.723 0.040 28.61 +H(0) 8.062e-17 + H2 4.031e-17 4.420e-17 -16.395 -16.355 0.040 28.61 Na 4.001e-01 Na+ 4.001e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.472e-18 2.710e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.986 -58.946 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.723 -59.683 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.05 -58.95 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16170,7 +16079,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.287 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38263 Density (g/cm³) = 1.01327 Volume (L) = 1.01020 @@ -16178,11 +16087,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.040e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.419e-17 + Total alkalinity (eq/kg) = 2.015e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.178e-12 + Electrical balance (eq) = -1.389e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16197,22 +16106,21 @@ Reaction 1. Cl 4.040e-01 Cl- 4.040e-01 2.685e-01 -0.394 -0.571 -0.178 18.63 HCl 6.620e-09 9.836e-09 -8.179 -8.007 0.172 (0) -H(0) 5.473e-17 - H2 2.736e-17 3.003e-17 -16.563 -16.522 0.040 28.61 +H(0) 8.040e-17 + H2 4.020e-17 4.412e-17 -16.396 -16.355 0.040 28.61 Na 4.040e-01 Na+ 4.040e-01 2.914e-01 -0.394 -0.535 -0.142 -0.71 - NaOH 2.492e-18 2.735e-18 -17.603 -17.563 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.388 -59.347 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.722 -59.681 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.42 -16.52 -3.10 H2 + H2(g) -13.25 -16.36 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.45 -59.35 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16248,7 +16156,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.113 Adjusted to redox equilibrium + pe = -0.336 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38404 Density (g/cm³) = 1.01334 Volume (L) = 1.01023 @@ -16256,11 +16164,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.057e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.166e-17 + Total alkalinity (eq/kg) = 4.316e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.503e-12 + Electrical balance (eq) = -2.116e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16275,22 +16183,21 @@ Reaction 1. Cl 4.057e-01 Cl- 4.057e-01 2.694e-01 -0.392 -0.570 -0.178 18.63 HCl 6.634e-09 9.873e-09 -8.178 -8.006 0.173 (0) -H(0) 2.450e-17 - H2 1.225e-17 1.345e-17 -16.912 -16.871 0.041 28.61 +H(0) 6.847e-17 + H2 3.423e-17 3.759e-17 -16.466 -16.425 0.041 28.61 Na 4.057e-01 Na+ 4.057e-01 2.926e-01 -0.392 -0.534 -0.142 -0.71 - NaOH 2.501e-18 2.745e-18 -17.602 -17.561 0.041 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.690 -58.649 0.041 30.40 + O2 0.000e+00 0.000e+00 -59.583 -59.542 0.041 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.77 -16.87 -3.10 H2 + H2(g) -13.32 -16.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.67 -1.10 1.57 NaCl - O2(g) -55.76 -58.65 -2.89 O2 + O2(g) -56.65 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16326,7 +16233,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.430 Adjusted to redox equilibrium + pe = -0.304 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38518 Density (g/cm³) = 1.01339 Volume (L) = 1.01026 @@ -16334,11 +16241,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.070e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.391e-17 + Total alkalinity (eq/kg) = 4.914e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.112e-12 + Electrical balance (eq) = -5.323e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16353,22 +16260,21 @@ Reaction 1. Cl 4.070e-01 Cl- 4.070e-01 2.702e-01 -0.390 -0.568 -0.178 18.63 HCl 6.646e-09 9.903e-09 -8.177 -8.004 0.173 (0) -H(0) 1.057e-16 - H2 5.287e-17 5.806e-17 -16.277 -16.236 0.041 28.61 +H(0) 5.906e-17 + H2 2.953e-17 3.243e-17 -16.530 -16.489 0.041 28.61 Na 4.070e-01 Na+ 4.070e-01 2.935e-01 -0.390 -0.532 -0.142 -0.71 - NaOH 2.507e-18 2.754e-18 -17.601 -17.560 0.041 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.961 -59.920 0.041 30.40 + O2 0.000e+00 0.000e+00 -59.455 -59.414 0.041 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.39 -16.49 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.67 -1.10 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.52 -59.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16404,7 +16310,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.304 Adjusted to redox equilibrium + pe = -0.038 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39688 Density (g/cm³) = 1.01393 Volume (L) = 1.01052 @@ -16412,11 +16318,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.209e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.380e-17 + Total alkalinity (eq/kg) = 6.821e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.358e-12 + Electrical balance (eq) = -2.420e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16431,22 +16337,21 @@ Reaction 1. Cl 4.209e-01 Cl- 4.209e-01 2.784e-01 -0.376 -0.555 -0.179 18.64 HCl 6.760e-09 1.021e-08 -8.170 -7.991 0.179 (0) -H(0) 5.898e-17 - H2 2.949e-17 3.249e-17 -16.530 -16.488 0.042 28.61 +H(0) 1.732e-17 + H2 8.660e-18 9.541e-18 -17.062 -17.020 0.042 28.61 Na 4.209e-01 Na+ 4.209e-01 3.032e-01 -0.376 -0.518 -0.142 -0.70 - NaOH 2.579e-18 2.841e-18 -17.589 -17.547 0.042 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.458 -59.416 0.042 30.40 + O2 0.000e+00 0.000e+00 -58.394 -58.352 0.042 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.39 -16.49 -3.10 H2 + H2(g) -13.92 -17.02 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.64 -1.07 1.57 NaCl - O2(g) -56.52 -59.42 -2.89 O2 + O2(g) -55.46 -58.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16482,7 +16387,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.382 Adjusted to redox equilibrium + pe = -0.328 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39717 Density (g/cm³) = 1.01395 Volume (L) = 1.01052 @@ -16490,11 +16395,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.212e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.831e-17 + Total alkalinity (eq/kg) = 6.134e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.521e-12 + Electrical balance (eq) = -1.997e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16509,22 +16414,21 @@ Reaction 1. Cl 4.212e-01 Cl- 4.212e-01 2.786e-01 -0.376 -0.555 -0.179 18.64 HCl 6.763e-09 1.022e-08 -8.170 -7.991 0.179 (0) -H(0) 8.477e-17 - H2 4.239e-17 4.670e-17 -16.373 -16.331 0.042 28.61 +H(0) 6.609e-17 + H2 3.304e-17 3.641e-17 -16.481 -16.439 0.042 28.61 Na 4.212e-01 Na+ 4.212e-01 3.034e-01 -0.376 -0.518 -0.142 -0.70 - NaOH 2.580e-18 2.843e-18 -17.588 -17.546 0.042 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.773 -59.731 0.042 30.40 + O2 0.000e+00 0.000e+00 -59.557 -59.515 0.042 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.23 -16.33 -3.10 H2 + H2(g) -13.34 -16.44 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.64 -1.07 1.57 NaCl - O2(g) -56.84 -59.73 -2.89 O2 + O2(g) -56.62 -59.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16560,7 +16464,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.296 Adjusted to redox equilibrium + pe = -0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41000 Density (g/cm³) = 1.01454 Volume (L) = 1.01081 @@ -16568,11 +16472,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.364e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.052e-17 + Total alkalinity (eq/kg) = 2.753e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.749e-13 + Electrical balance (eq) = -6.658e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16587,22 +16491,21 @@ Reaction 1. Cl 4.364e-01 Cl- 4.364e-01 2.876e-01 -0.360 -0.541 -0.181 18.65 HCl 6.884e-09 1.056e-08 -8.162 -7.976 0.186 (0) -H(0) 5.676e-17 - H2 2.838e-17 3.138e-17 -16.547 -16.503 0.044 28.61 +H(0) 8.972e-17 + H2 4.486e-17 4.960e-17 -16.348 -16.305 0.044 28.61 Na 4.364e-01 Na+ 4.364e-01 3.140e-01 -0.360 -0.503 -0.143 -0.68 - NaOH 2.658e-18 2.939e-18 -17.575 -17.532 0.044 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.430 -59.386 0.044 30.40 + O2 0.000e+00 0.000e+00 -59.828 -59.784 0.044 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.61 -1.04 1.57 NaCl - O2(g) -56.49 -59.39 -2.89 O2 + O2(g) -56.89 -59.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16638,7 +16541,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.207 Adjusted to redox equilibrium + pe = -0.376 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41937 Density (g/cm³) = 1.01498 Volume (L) = 1.01101 @@ -16646,11 +16549,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.476e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.694e-17 + Total alkalinity (eq/kg) = 6.440e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.189e-12 + Electrical balance (eq) = -4.316e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16665,22 +16568,21 @@ Reaction 1. Cl 4.476e-01 Cl- 4.476e-01 2.942e-01 -0.349 -0.531 -0.182 18.66 HCl 6.969e-09 1.081e-08 -8.157 -7.966 0.190 (0) -H(0) 3.758e-17 - H2 1.879e-17 2.083e-17 -16.726 -16.681 0.045 28.61 +H(0) 8.186e-17 + H2 4.093e-17 4.538e-17 -16.388 -16.343 0.045 28.61 Na 4.476e-01 Na+ 4.476e-01 3.219e-01 -0.349 -0.492 -0.143 -0.67 - NaOH 2.715e-18 3.009e-18 -17.566 -17.522 0.045 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.075 -59.031 0.045 30.40 + O2 0.000e+00 0.000e+00 -59.752 -59.707 0.045 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.24 -16.34 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.59 -1.02 1.57 NaCl - O2(g) -56.14 -59.03 -2.89 O2 + O2(g) -56.81 -59.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16716,7 +16618,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = 0.085 Adjusted to redox equilibrium + pe = -0.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41953 Density (g/cm³) = 1.01499 Volume (L) = 1.01102 @@ -16724,11 +16626,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.478e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.700e-18 + Total alkalinity (eq/kg) = -1.051e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.670e-12 + Electrical balance (eq) = -1.698e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16743,22 +16645,21 @@ Reaction 1. Cl 4.478e-01 Cl- 4.478e-01 2.944e-01 -0.349 -0.531 -0.182 18.66 HCl 6.970e-09 1.081e-08 -8.157 -7.966 0.191 (0) -H(0) 9.804e-18 - H2 4.902e-18 5.434e-18 -17.310 -17.265 0.045 28.61 +H(0) 2.796e-17 + H2 1.398e-17 1.550e-17 -16.854 -16.810 0.045 28.61 Na 4.478e-01 Na+ 4.478e-01 3.220e-01 -0.349 -0.492 -0.143 -0.67 - NaOH 2.716e-18 3.011e-18 -17.566 -17.521 0.045 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.908 -57.864 0.045 30.40 + O2 0.000e+00 0.000e+00 -58.819 -58.774 0.045 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.16 -17.26 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.59 -1.02 1.57 NaCl - O2(g) -54.97 -57.86 -2.89 O2 + O2(g) -55.88 -58.77 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16794,7 +16695,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.371 Adjusted to redox equilibrium + pe = -0.276 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 43870 Density (g/cm³) = 1.01588 Volume (L) = 1.01145 @@ -16802,11 +16703,11 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 4.708e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.597e-17 + Total alkalinity (eq/kg) = 3.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.396e-13 + Electrical balance (eq) = -1.727e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16821,22 +16722,21 @@ Reaction 1. Cl 4.708e-01 Cl- 4.708e-01 3.079e-01 -0.327 -0.512 -0.184 18.67 HCl 7.136e-09 1.132e-08 -8.147 -7.946 0.200 (0) -H(0) 7.984e-17 - H2 3.992e-17 4.449e-17 -16.399 -16.352 0.047 28.61 +H(0) 5.163e-17 + H2 2.582e-17 2.877e-17 -16.588 -16.541 0.047 28.61 Na 4.708e-01 Na+ 4.708e-01 3.382e-01 -0.327 -0.471 -0.144 -0.65 - NaOH 2.831e-18 3.156e-18 -17.548 -17.501 0.047 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.738 -59.691 0.047 30.40 + O2 0.000e+00 0.000e+00 -59.359 -59.312 0.047 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.25 -16.35 -3.10 H2 + H2(g) -13.44 -16.54 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.55 -0.98 1.57 NaCl - O2(g) -56.80 -59.69 -2.89 O2 + O2(g) -56.42 -59.31 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16872,7 +16772,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.122 Adjusted to redox equilibrium + pe = -0.337 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46044 Density (g/cm³) = 1.01691 Volume (L) = 1.01194 @@ -16880,9 +16780,9 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.342e-17 + Total alkalinity (eq/kg) = 6.291e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.105e-15 + Electrical balance (eq) = -4.630e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -16899,22 +16799,21 @@ Reaction 1. Cl 4.971e-01 Cl- 4.971e-01 3.233e-01 -0.304 -0.490 -0.187 18.69 HCl 7.311e-09 1.190e-08 -8.136 -7.924 0.212 (0) -H(0) 2.532e-17 - H2 1.266e-17 1.419e-17 -16.898 -16.848 0.050 28.61 +H(0) 6.805e-17 + H2 3.403e-17 3.815e-17 -16.468 -16.418 0.050 28.61 Na 4.971e-01 Na+ 4.971e-01 3.567e-01 -0.304 -0.448 -0.144 -0.63 - NaOH 2.962e-18 3.321e-18 -17.528 -17.479 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.749 -58.699 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.608 -59.558 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.32 -16.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.51 -0.94 1.57 NaCl - O2(g) -55.81 -58.70 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16950,7 +16849,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.340 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46238 Density (g/cm³) = 1.01700 Volume (L) = 1.01199 @@ -16958,11 +16857,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.995e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.785e-17 + Total alkalinity (eq/kg) = 3.136e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.010e-15 + Electrical balance (eq) = -3.831e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16977,22 +16876,21 @@ Reaction 1. Cl 4.995e-01 Cl- 4.995e-01 3.246e-01 -0.301 -0.489 -0.187 18.69 HCl 7.326e-09 1.195e-08 -8.135 -7.923 0.213 (0) -H(0) 6.910e-17 - H2 3.455e-17 3.876e-17 -16.462 -16.412 0.050 28.61 +H(0) 4.441e-17 + H2 2.220e-17 2.491e-17 -16.654 -16.604 0.050 28.61 Na 4.995e-01 Na+ 4.995e-01 3.584e-01 -0.301 -0.446 -0.144 -0.63 - NaOH 2.974e-18 3.336e-18 -17.527 -17.477 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.622 -59.572 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.238 -59.188 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.31 -16.41 -3.10 H2 + H2(g) -13.50 -16.60 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.68 -59.57 -2.89 O2 + O2(g) -56.30 -59.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17028,7 +16926,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.340 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46238 Density (g/cm³) = 1.01700 Volume (L) = 1.01199 @@ -17036,11 +16934,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.995e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.785e-17 + Total alkalinity (eq/kg) = 3.136e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.010e-15 + Electrical balance (eq) = -3.831e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17055,22 +16953,21 @@ Reaction 1. Cl 4.995e-01 Cl- 4.995e-01 3.246e-01 -0.301 -0.489 -0.187 18.69 HCl 7.326e-09 1.195e-08 -8.135 -7.923 0.213 (0) -H(0) 6.910e-17 - H2 3.455e-17 3.876e-17 -16.462 -16.412 0.050 28.61 +H(0) 4.441e-17 + H2 2.220e-17 2.491e-17 -16.654 -16.604 0.050 28.61 Na 4.995e-01 Na+ 4.995e-01 3.584e-01 -0.301 -0.446 -0.144 -0.63 - NaOH 2.974e-18 3.336e-18 -17.527 -17.477 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.622 -59.572 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.238 -59.188 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.31 -16.41 -3.10 H2 + H2(g) -13.50 -16.60 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.68 -59.57 -2.89 O2 + O2(g) -56.30 -59.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17106,7 +17003,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17114,11 +17011,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17133,22 +17030,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17184,7 +17080,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17192,11 +17088,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17211,22 +17107,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17262,7 +17157,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17270,11 +17165,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17289,22 +17184,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17340,7 +17234,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17348,11 +17242,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17367,22 +17261,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17418,7 +17311,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17426,11 +17319,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17445,22 +17338,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17496,7 +17388,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 0.031 Adjusted to redox equilibrium + pe = -0.212 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46381 Density (g/cm³) = 1.01707 Volume (L) = 1.01202 @@ -17504,11 +17396,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.012e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.098e-17 + Total alkalinity (eq/kg) = 3.470e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.251e-12 + Electrical balance (eq) = -3.071e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17523,22 +17415,21 @@ Reaction 1. Cl 5.012e-01 Cl- 5.012e-01 3.256e-01 -0.300 -0.487 -0.187 18.69 HCl 7.337e-09 1.199e-08 -8.134 -7.921 0.213 (0) -H(0) 1.247e-17 - H2 6.235e-18 6.997e-18 -17.205 -17.155 0.050 28.61 +H(0) 3.821e-17 + H2 1.911e-17 2.144e-17 -16.719 -16.669 0.050 28.61 Na 5.012e-01 Na+ 5.012e-01 3.596e-01 -0.300 -0.444 -0.144 -0.63 - NaOH 2.982e-18 3.347e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.135 -58.085 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.108 -59.058 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.05 -17.16 -3.10 H2 + H2(g) -13.57 -16.67 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -55.19 -58.08 -2.89 O2 + O2(g) -56.17 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17574,7 +17465,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.267 Adjusted to redox equilibrium + pe = -0.409 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46430 Density (g/cm³) = 1.01709 Volume (L) = 1.01203 @@ -17582,11 +17473,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.018e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.879e-17 + Total alkalinity (eq/kg) = 7.676e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.508e-13 + Electrical balance (eq) = -2.932e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17601,22 +17492,21 @@ Reaction 1. Cl 5.018e-01 Cl- 5.018e-01 3.260e-01 -0.299 -0.487 -0.187 18.69 HCl 7.341e-09 1.200e-08 -8.134 -7.921 0.214 (0) -H(0) 4.935e-17 - H2 2.468e-17 2.770e-17 -16.608 -16.558 0.050 28.61 +H(0) 9.482e-17 + H2 4.741e-17 5.322e-17 -16.324 -16.274 0.050 28.61 Na 5.018e-01 Na+ 5.018e-01 3.600e-01 -0.299 -0.444 -0.144 -0.63 - NaOH 2.985e-18 3.351e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.330 -59.280 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.897 -59.847 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.46 -16.56 -3.10 H2 + H2(g) -13.17 -16.27 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.39 -59.28 -2.89 O2 + O2(g) -56.95 -59.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17652,7 +17542,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.222 Adjusted to redox equilibrium + pe = -0.320 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46439 Density (g/cm³) = 1.01710 Volume (L) = 1.01203 @@ -17660,11 +17550,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.019e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.711e-17 + Total alkalinity (eq/kg) = 6.269e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.040e-16 + Electrical balance (eq) = -4.337e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17679,22 +17569,21 @@ Reaction 1. Cl 5.019e-01 Cl- 5.019e-01 3.260e-01 -0.299 -0.487 -0.187 18.69 HCl 7.342e-09 1.201e-08 -8.134 -7.921 0.214 (0) -H(0) 4.005e-17 - H2 2.002e-17 2.248e-17 -16.698 -16.648 0.050 28.61 +H(0) 6.299e-17 + H2 3.150e-17 3.535e-17 -16.502 -16.452 0.050 28.61 Na 5.019e-01 Na+ 5.019e-01 3.601e-01 -0.299 -0.444 -0.144 -0.63 - NaOH 2.986e-18 3.352e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.149 -59.098 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.542 -59.492 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.55 -16.65 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -56.60 -59.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17730,7 +17619,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.098 Adjusted to redox equilibrium + pe = -0.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46529 Density (g/cm³) = 1.01714 Volume (L) = 1.01205 @@ -17738,11 +17627,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.030e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.225e-17 + Total alkalinity (eq/kg) = 6.061e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.097e-12 + Electrical balance (eq) = -6.297e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17757,22 +17646,21 @@ Reaction 1. Cl 5.030e-01 Cl- 5.030e-01 3.267e-01 -0.298 -0.486 -0.187 18.69 HCl 7.349e-09 1.203e-08 -8.134 -7.920 0.214 (0) -H(0) 2.260e-17 - H2 1.130e-17 1.269e-17 -16.947 -16.897 0.050 28.61 +H(0) 7.382e-17 + H2 3.691e-17 4.144e-17 -16.433 -16.383 0.050 28.61 Na 5.030e-01 Na+ 5.030e-01 3.609e-01 -0.298 -0.443 -0.144 -0.63 - NaOH 2.991e-18 3.358e-18 -17.524 -17.474 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.652 -58.602 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.680 -59.630 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.28 -16.38 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -55.71 -58.60 -2.89 O2 + O2(g) -56.74 -59.63 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17808,7 +17696,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 0.002 Adjusted to redox equilibrium + pe = -0.166 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46775 Density (g/cm³) = 1.01726 Volume (L) = 1.01211 @@ -17816,11 +17704,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.060e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.142e-18 + Total alkalinity (eq/kg) = 2.948e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.186e-15 + Electrical balance (eq) = -9.056e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17835,22 +17723,21 @@ Reaction 1. Cl 5.060e-01 Cl- 5.060e-01 3.284e-01 -0.296 -0.484 -0.188 18.69 HCl 7.367e-09 1.210e-08 -8.133 -7.917 0.215 (0) -H(0) 1.430e-17 - H2 7.150e-18 8.033e-18 -17.146 -17.095 0.051 28.61 +H(0) 3.088e-17 + H2 1.544e-17 1.735e-17 -16.811 -16.761 0.051 28.61 Na 5.060e-01 Na+ 5.060e-01 3.630e-01 -0.296 -0.440 -0.144 -0.63 - NaOH 3.006e-18 3.377e-18 -17.522 -17.471 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.255 -58.205 0.051 30.40 + O2 0.000e+00 0.000e+00 -58.924 -58.874 0.051 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.10 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl - O2(g) -55.31 -58.20 -2.89 O2 + O2(g) -55.98 -58.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17886,7 +17773,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.448 Adjusted to redox equilibrium + pe = -0.052 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46838 Density (g/cm³) = 1.01729 Volume (L) = 1.01212 @@ -17894,11 +17781,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.068e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.558e-17 + Total alkalinity (eq/kg) = -2.189e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.707e-12 + Electrical balance (eq) = -6.226e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17913,22 +17800,21 @@ Reaction 1. Cl 5.068e-01 Cl- 5.068e-01 3.289e-01 -0.295 -0.483 -0.188 18.69 HCl 7.372e-09 1.211e-08 -8.132 -7.917 0.216 (0) -H(0) 1.131e-16 - H2 5.655e-17 6.355e-17 -16.248 -16.197 0.051 28.61 +H(0) 1.832e-17 + H2 9.158e-18 1.029e-17 -17.038 -16.988 0.051 28.61 Na 5.068e-01 Na+ 5.068e-01 3.635e-01 -0.295 -0.439 -0.144 -0.63 - NaOH 3.010e-18 3.382e-18 -17.521 -17.471 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.052 -60.001 0.051 30.40 + O2 0.000e+00 0.000e+00 -58.471 -58.420 0.051 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.10 -16.20 -3.10 H2 + H2(g) -13.89 -16.99 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl - O2(g) -57.11 -60.00 -2.89 O2 + O2(g) -55.53 -58.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17964,7 +17850,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.195 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 48626 Density (g/cm³) = 1.01813 Volume (L) = 1.01253 @@ -17972,11 +17858,11 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.287e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.477e-17 + Total alkalinity (eq/kg) = -3.483e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.290e-15 + Electrical balance (eq) = -7.369e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17991,22 +17877,21 @@ Reaction 1. Cl 5.287e-01 Cl- 5.287e-01 3.416e-01 -0.277 -0.466 -0.190 18.71 HCl 7.503e-09 1.260e-08 -8.125 -7.900 0.225 (0) -H(0) 3.077e-17 - H2 1.538e-17 1.738e-17 -16.813 -16.760 0.053 28.61 +H(0) 3.528e-17 + H2 1.764e-17 1.993e-17 -16.753 -16.701 0.053 28.61 Na 5.287e-01 Na+ 5.287e-01 3.791e-01 -0.277 -0.421 -0.144 -0.61 - NaOH 3.117e-18 3.520e-18 -17.506 -17.453 0.053 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.928 -58.876 0.053 30.40 + O2 0.000e+00 0.000e+00 -59.047 -58.995 0.053 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.46 -0.89 1.57 NaCl - O2(g) -55.98 -58.88 -2.89 O2 + O2(g) -56.10 -58.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18042,7 +17927,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = -0.436 Adjusted to redox equilibrium + pe = -0.437 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 51278 Density (g/cm³) = 1.01940 Volume (L) = 1.01315 @@ -18050,9 +17935,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 5.614e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.055e-16 + Total alkalinity (eq/kg) = 3.317e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.875e-11 + Electrical balance (eq) = -4.777e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 @@ -18069,22 +17954,21 @@ Reaction 1. Cl 5.614e-01 Cl- 5.614e-01 3.606e-01 -0.251 -0.443 -0.192 18.73 HCl 7.680e-09 1.331e-08 -8.115 -7.876 0.239 (0) -H(0) 1.066e-16 - H2 5.331e-17 6.067e-17 -16.273 -16.217 0.056 28.61 +H(0) 1.071e-16 + H2 5.357e-17 6.096e-17 -16.271 -16.215 0.056 28.61 Na 5.614e-01 Na+ 5.614e-01 4.024e-01 -0.251 -0.395 -0.145 -0.58 - NaOH 3.275e-18 3.727e-18 -17.485 -17.429 0.056 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.019 -59.963 0.056 30.40 + O2 0.000e+00 0.000e+00 -60.023 -59.967 0.056 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.12 -16.22 -3.10 H2 + H2(g) -13.11 -16.21 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.41 -0.84 1.57 NaCl - O2(g) -57.07 -59.96 -2.89 O2 + O2(g) -57.07 -59.97 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18120,7 +18004,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = 1.020 Adjusted to redox equilibrium + pe = -0.210 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 51868 Density (g/cm³) = 1.01969 Volume (L) = 1.01329 @@ -18128,11 +18012,11 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 5.687e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.876e-17 + Total alkalinity (eq/kg) = -1.702e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.510e-10 + Electrical balance (eq) = -3.338e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18147,22 +18031,21 @@ Reaction 1. Cl 5.687e-01 Cl- 5.687e-01 3.648e-01 -0.245 -0.438 -0.193 18.73 HCl 7.717e-09 1.347e-08 -8.113 -7.870 0.242 (0) -H(0) 1.303e-19 - H2 6.513e-20 7.425e-20 -19.186 -19.129 0.057 28.61 +H(0) 3.750e-17 + H2 1.875e-17 2.137e-17 -16.727 -16.670 0.057 28.61 Na 5.687e-01 Na+ 5.687e-01 4.076e-01 -0.245 -0.390 -0.145 -0.58 - NaOH 3.310e-18 3.774e-18 -17.480 -17.423 0.057 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.195 -54.138 0.057 30.40 + O2 0.000e+00 0.000e+00 -59.114 -59.057 0.057 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -16.03 -19.13 -3.10 H2 + H2(g) -13.57 -16.67 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.40 -0.83 1.57 NaCl - O2(g) -51.25 -54.14 -2.89 O2 + O2(g) -56.16 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18198,7 +18081,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.396 Adjusted to redox equilibrium + pe = -0.256 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54345 Density (g/cm³) = 1.02088 Volume (L) = 1.01388 @@ -18206,11 +18089,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 5.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.940e-17 + Total alkalinity (eq/kg) = 4.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.027e-11 + Electrical balance (eq) = -1.245e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18225,22 +18108,21 @@ Reaction 1. Cl 5.997e-01 Cl- 5.997e-01 3.826e-01 -0.222 -0.417 -0.195 18.75 HCl 7.863e-09 1.415e-08 -8.104 -7.849 0.255 (0) -H(0) 8.805e-17 - H2 4.403e-17 5.055e-17 -16.356 -16.296 0.060 28.61 +H(0) 4.617e-17 + H2 2.308e-17 2.650e-17 -16.637 -16.577 0.060 28.61 Na 5.997e-01 Na+ 5.997e-01 4.298e-01 -0.222 -0.367 -0.145 -0.56 - NaOH 3.458e-18 3.970e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.865 -59.805 0.060 30.40 + O2 0.000e+00 0.000e+00 -59.304 -59.244 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.91 -59.81 -2.89 O2 + O2(g) -56.35 -59.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18276,7 +18158,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.396 Adjusted to redox equilibrium + pe = -0.256 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54345 Density (g/cm³) = 1.02088 Volume (L) = 1.01388 @@ -18284,11 +18166,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 5.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.940e-17 + Total alkalinity (eq/kg) = 4.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.027e-11 + Electrical balance (eq) = -1.245e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18303,22 +18185,21 @@ Reaction 1. Cl 5.997e-01 Cl- 5.997e-01 3.826e-01 -0.222 -0.417 -0.195 18.75 HCl 7.863e-09 1.415e-08 -8.104 -7.849 0.255 (0) -H(0) 8.805e-17 - H2 4.403e-17 5.055e-17 -16.356 -16.296 0.060 28.61 +H(0) 4.617e-17 + H2 2.308e-17 2.650e-17 -16.637 -16.577 0.060 28.61 Na 5.997e-01 Na+ 5.997e-01 4.298e-01 -0.222 -0.367 -0.145 -0.56 - NaOH 3.458e-18 3.970e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.865 -59.805 0.060 30.40 + O2 0.000e+00 0.000e+00 -59.304 -59.244 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.91 -59.81 -2.89 O2 + O2(g) -56.35 -59.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18354,7 +18235,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.022 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54368 Density (g/cm³) = 1.02089 Volume (L) = 1.01388 @@ -18362,11 +18243,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 6.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.964e-17 + Total alkalinity (eq/kg) = 1.014e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.279e-11 + Electrical balance (eq) = -6.595e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18381,22 +18262,21 @@ Reaction 1. Cl 6.000e-01 Cl- 6.000e-01 3.828e-01 -0.222 -0.417 -0.195 18.75 HCl 7.864e-09 1.416e-08 -8.104 -7.849 0.255 (0) -H(0) 5.086e-17 - H2 2.543e-17 2.920e-17 -16.595 -16.535 0.060 28.61 +H(0) 1.572e-17 + H2 7.859e-18 9.023e-18 -17.105 -17.045 0.060 28.61 Na 6.000e-01 Na+ 6.000e-01 4.300e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.459e-18 3.972e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.389 -59.329 0.060 30.40 + O2 0.000e+00 0.000e+00 -58.369 -58.309 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.43 -16.53 -3.10 H2 + H2(g) -13.94 -17.04 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.44 -59.33 -2.89 O2 + O2(g) -55.42 -58.31 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18432,7 +18312,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.357 Adjusted to redox equilibrium + pe = -0.269 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58345 Density (g/cm³) = 1.02283 Volume (L) = 1.01484 @@ -18440,11 +18320,11 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.504e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.500e-17 + Total alkalinity (eq/kg) = 4.486e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.528e-11 + Electrical balance (eq) = -1.770e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18459,22 +18339,21 @@ Reaction 1. Cl 6.504e-01 Cl- 6.504e-01 4.117e-01 -0.187 -0.385 -0.199 18.78 HCl 8.066e-09 1.526e-08 -8.093 -7.817 0.277 (0) -H(0) 7.313e-17 - H2 3.656e-17 4.247e-17 -16.437 -16.372 0.065 28.61 +H(0) 4.873e-17 + H2 2.437e-17 2.830e-17 -16.613 -16.548 0.065 28.61 Na 6.504e-01 Na+ 6.504e-01 4.665e-01 -0.187 -0.331 -0.144 -0.52 - NaOH 3.695e-18 4.292e-18 -17.432 -17.367 0.065 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.721 -59.656 0.065 30.40 + O2 0.000e+00 0.000e+00 -59.368 -59.303 0.065 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.27 -16.37 -3.10 H2 + H2(g) -13.45 -16.55 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.29 -0.72 1.57 NaCl - O2(g) -56.76 -59.66 -2.89 O2 + O2(g) -56.41 -59.30 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18510,7 +18389,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = 0.070 Adjusted to redox equilibrium + pe = -0.290 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58471 Density (g/cm³) = 1.02289 Volume (L) = 1.01487 @@ -18518,11 +18397,11 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.520e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.798e-18 + Total alkalinity (eq/kg) = 3.537e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.983e-12 + Electrical balance (eq) = -1.278e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18537,22 +18416,21 @@ Reaction 1. Cl 6.520e-01 Cl- 6.520e-01 4.126e-01 -0.186 -0.384 -0.199 18.78 HCl 8.072e-09 1.529e-08 -8.093 -7.816 0.277 (0) -H(0) 1.022e-17 - H2 5.112e-18 5.940e-18 -17.291 -17.226 0.065 28.61 +H(0) 5.372e-17 + H2 2.686e-17 3.121e-17 -16.571 -16.506 0.065 28.61 Na 6.520e-01 Na+ 6.520e-01 4.677e-01 -0.186 -0.330 -0.144 -0.52 - NaOH 3.702e-18 4.302e-18 -17.432 -17.366 0.065 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.012 -57.947 0.065 30.40 + O2 0.000e+00 0.000e+00 -59.453 -59.388 0.065 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.13 -17.23 -3.10 H2 + H2(g) -13.40 -16.51 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.28 -0.71 1.57 NaCl - O2(g) -55.05 -57.95 -2.89 O2 + O2(g) -56.50 -59.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18588,7 +18466,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.344 Adjusted to redox equilibrium + pe = 0.546 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 60928 Density (g/cm³) = 1.02410 Volume (L) = 1.01547 @@ -18596,11 +18474,11 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.835e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.843e-17 + Total alkalinity (eq/kg) = -2.055e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.663e-15 + Electrical balance (eq) = -7.172e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 35 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18615,22 +18493,21 @@ Reaction 1. Cl 6.835e-01 Cl- 6.835e-01 4.306e-01 -0.165 -0.366 -0.201 18.80 HCl 8.177e-09 1.598e-08 -8.087 -7.796 0.291 (0) -H(0) 6.847e-17 - H2 3.423e-17 4.007e-17 -16.466 -16.397 0.068 28.61 +H(0) 1.138e-18 + H2 5.689e-19 6.659e-19 -18.245 -18.177 0.068 28.61 Na 6.835e-01 Na+ 6.835e-01 4.907e-01 -0.165 -0.309 -0.144 -0.50 - NaOH 3.847e-18 4.503e-18 -17.415 -17.346 0.068 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.674 -59.606 0.068 30.40 + O2 0.000e+00 0.000e+00 -56.116 -56.047 0.068 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.30 -16.40 -3.10 H2 + H2(g) -15.08 -18.18 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.25 -0.68 1.57 NaCl - O2(g) -56.71 -59.61 -2.89 O2 + O2(g) -53.15 -56.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18666,7 +18543,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = -0.258 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 61342 Density (g/cm³) = 1.02431 Volume (L) = 1.01558 @@ -18674,9 +18551,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.889e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.270e-17 + Total alkalinity (eq/kg) = 3.084e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.720e-11 + Electrical balance (eq) = -1.144e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -18693,22 +18570,21 @@ Reaction 1. Cl 6.889e-01 Cl- 6.889e-01 4.336e-01 -0.162 -0.363 -0.201 18.80 HCl 8.194e-09 1.609e-08 -8.087 -7.793 0.293 (0) -H(0) 5.524e-17 - H2 2.762e-17 3.237e-17 -16.559 -16.490 0.069 28.61 +H(0) 4.600e-17 + H2 2.300e-17 2.695e-17 -16.638 -16.569 0.069 28.61 Na 6.889e-01 Na+ 6.889e-01 4.946e-01 -0.162 -0.306 -0.144 -0.49 - NaOH 3.872e-18 4.537e-18 -17.412 -17.343 0.069 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.490 -59.421 0.069 30.40 + O2 0.000e+00 0.000e+00 -59.331 -59.262 0.069 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.39 -16.49 -3.10 H2 + H2(g) -13.47 -16.57 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.24 -0.67 1.57 NaCl - O2(g) -56.53 -59.42 -2.89 O2 + O2(g) -56.37 -59.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18744,7 +18620,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.103 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62135 Density (g/cm³) = 1.02470 Volume (L) = 1.01577 @@ -18752,11 +18628,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 6.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.579e-18 + Total alkalinity (eq/kg) = -5.953e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.459e-10 + Electrical balance (eq) = -6.554e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18771,22 +18647,21 @@ Reaction 1. Cl 6.992e-01 Cl- 6.992e-01 4.395e-01 -0.155 -0.357 -0.202 18.80 HCl 8.224e-09 1.632e-08 -8.085 -7.787 0.298 (0) -H(0) 2.247e-17 - H2 1.124e-17 1.320e-17 -16.949 -16.879 0.070 28.61 +H(0) 2.377e-17 + H2 1.188e-17 1.396e-17 -16.925 -16.855 0.070 28.61 Na 6.992e-01 Na+ 6.992e-01 5.021e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.919e-18 4.603e-18 -17.407 -17.337 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.712 -58.642 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.691 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.75 -16.86 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -55.75 -58.64 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18822,7 +18697,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.103 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62135 Density (g/cm³) = 1.02470 Volume (L) = 1.01577 @@ -18830,11 +18705,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 6.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.579e-18 + Total alkalinity (eq/kg) = -5.953e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.459e-10 + Electrical balance (eq) = -6.554e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18849,22 +18724,21 @@ Reaction 1. Cl 6.992e-01 Cl- 6.992e-01 4.395e-01 -0.155 -0.357 -0.202 18.80 HCl 8.224e-09 1.632e-08 -8.085 -7.787 0.298 (0) -H(0) 2.247e-17 - H2 1.124e-17 1.320e-17 -16.949 -16.879 0.070 28.61 +H(0) 2.377e-17 + H2 1.188e-17 1.396e-17 -16.925 -16.855 0.070 28.61 Na 6.992e-01 Na+ 6.992e-01 5.021e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.919e-18 4.603e-18 -17.407 -17.337 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.712 -58.642 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.691 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.75 -16.86 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -55.75 -58.64 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18900,7 +18774,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.288 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62199 Density (g/cm³) = 1.02473 Volume (L) = 1.01579 @@ -18908,11 +18782,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.390e-17 + Total alkalinity (eq/kg) = -2.657e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.256e-09 + Electrical balance (eq) = -2.991e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18927,22 +18801,21 @@ Reaction 1. Cl 7.000e-01 Cl- 7.000e-01 4.399e-01 -0.155 -0.357 -0.202 18.80 HCl 8.226e-09 1.634e-08 -8.085 -7.787 0.298 (0) -H(0) 5.271e-17 - H2 2.636e-17 3.097e-17 -16.579 -16.509 0.070 28.61 +H(0) 2.382e-17 + H2 1.191e-17 1.400e-17 -16.924 -16.854 0.070 28.61 Na 7.000e-01 Na+ 7.000e-01 5.027e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.922e-18 4.608e-18 -17.406 -17.336 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.453 -59.383 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.763 -58.693 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.41 -16.51 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -56.49 -59.38 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18978,7 +18851,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.268 Adjusted to redox equilibrium + pe = -0.146 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62377 Density (g/cm³) = 1.02482 Volume (L) = 1.01583 @@ -18986,11 +18859,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.023e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.641e-17 + Total alkalinity (eq/kg) = 2.714e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.367e-11 + Electrical balance (eq) = -4.043e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19005,22 +18878,21 @@ Reaction 1. Cl 7.023e-01 Cl- 7.023e-01 4.412e-01 -0.153 -0.355 -0.202 18.80 HCl 8.233e-09 1.639e-08 -8.084 -7.786 0.299 (0) -H(0) 4.802e-17 - H2 2.401e-17 2.823e-17 -16.620 -16.549 0.070 28.61 +H(0) 2.736e-17 + H2 1.368e-17 1.608e-17 -16.864 -16.794 0.070 28.61 Na 7.023e-01 Na+ 7.023e-01 5.044e-01 -0.153 -0.297 -0.144 -0.48 - NaOH 3.933e-18 4.623e-18 -17.405 -17.335 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.372 -59.302 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.884 -58.813 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.55 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -56.41 -59.30 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19056,7 +18928,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.332 Adjusted to redox equilibrium + pe = -0.477 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62552 Density (g/cm³) = 1.02491 Volume (L) = 1.01588 @@ -19064,11 +18936,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.046e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.547e-17 + Total alkalinity (eq/kg) = 1.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.907e-10 + Electrical balance (eq) = -7.597e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19083,22 +18955,21 @@ Reaction 1. Cl 7.046e-01 Cl- 7.046e-01 4.425e-01 -0.152 -0.354 -0.202 18.81 HCl 8.239e-09 1.644e-08 -8.084 -7.784 0.300 (0) -H(0) 6.461e-17 - H2 3.231e-17 3.800e-17 -16.491 -16.420 0.070 28.61 +H(0) 1.259e-16 + H2 6.293e-17 7.401e-17 -16.201 -16.131 0.070 28.61 Na 7.046e-01 Na+ 7.046e-01 5.061e-01 -0.152 -0.296 -0.144 -0.48 - NaOH 3.943e-18 4.638e-18 -17.404 -17.334 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.631 -59.561 0.070 30.40 + O2 0.000e+00 0.000e+00 -60.210 -60.140 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.32 -16.42 -3.10 H2 + H2(g) -13.03 -16.13 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -56.67 -59.56 -2.89 O2 + O2(g) -57.25 -60.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19134,7 +19005,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.601 Adjusted to redox equilibrium + pe = -0.338 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62731 Density (g/cm³) = 1.02500 Volume (L) = 1.01592 @@ -19142,11 +19013,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.069e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.842e-17 + Total alkalinity (eq/kg) = 6.424e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.528e-09 + Electrical balance (eq) = -9.345e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19161,22 +19032,21 @@ Reaction 1. Cl 7.069e-01 Cl- 7.069e-01 4.439e-01 -0.151 -0.353 -0.202 18.81 HCl 8.246e-09 1.649e-08 -8.084 -7.783 0.301 (0) -H(0) 2.231e-16 - H2 1.116e-16 1.313e-16 -15.952 -15.882 0.071 28.61 +H(0) 6.626e-17 + H2 3.313e-17 3.898e-17 -16.480 -16.409 0.071 28.61 Na 7.069e-01 Na+ 7.069e-01 5.078e-01 -0.151 -0.294 -0.144 -0.48 - NaOH 3.954e-18 4.653e-18 -17.403 -17.332 0.071 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.708 -60.638 0.071 30.40 + O2 0.000e+00 0.000e+00 -59.654 -59.583 0.071 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -13.31 -16.41 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -57.75 -60.64 -2.89 O2 + O2(g) -56.69 -59.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19212,7 +19082,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.818 Adjusted to redox equilibrium + pe = -0.133 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 63721 Density (g/cm³) = 1.02549 Volume (L) = 1.01617 @@ -19220,11 +19090,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.198e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.513e-17 + Total alkalinity (eq/kg) = -5.496e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.468e-15 + Electrical balance (eq) = -1.736e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 53 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19239,22 +19109,21 @@ Reaction 1. Cl 7.198e-01 Cl- 7.198e-01 4.512e-01 -0.143 -0.346 -0.203 18.81 HCl 8.281e-09 1.677e-08 -8.082 -7.776 0.306 (0) -H(0) 6.033e-16 - H2 3.016e-16 3.560e-16 -15.521 -15.449 0.072 28.61 +H(0) 2.574e-17 + H2 1.287e-17 1.519e-17 -16.890 -16.818 0.072 28.61 Na 7.198e-01 Na+ 7.198e-01 5.173e-01 -0.143 -0.286 -0.143 -0.47 - NaOH 4.012e-18 4.735e-18 -17.397 -17.325 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.576 -61.504 0.072 30.40 + O2 0.000e+00 0.000e+00 -58.837 -58.765 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.35 -15.45 -3.10 H2 + H2(g) -13.72 -16.82 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -58.61 -61.50 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19290,7 +19159,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = 0.038 Adjusted to redox equilibrium + pe = -0.375 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 64074 Density (g/cm³) = 1.02566 Volume (L) = 1.01626 @@ -19298,11 +19167,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 7.244e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.382e-17 + Total alkalinity (eq/kg) = 3.744e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.942e-16 + Electrical balance (eq) = -2.769e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 20 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19317,22 +19186,21 @@ Reaction 1. Cl 7.244e-01 Cl- 7.244e-01 4.538e-01 -0.140 -0.343 -0.203 18.82 HCl 8.293e-09 1.687e-08 -8.081 -7.773 0.308 (0) -H(0) 1.173e-17 - H2 5.864e-18 6.928e-18 -17.232 -17.159 0.072 28.61 +H(0) 7.856e-17 + H2 3.928e-17 4.641e-17 -16.406 -16.333 0.072 28.61 Na 7.244e-01 Na+ 7.244e-01 5.207e-01 -0.140 -0.283 -0.143 -0.47 - NaOH 4.033e-18 4.765e-18 -17.394 -17.322 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.155 -58.083 0.072 30.40 + O2 0.000e+00 0.000e+00 -59.807 -59.735 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.06 -17.16 -3.10 H2 + H2(g) -13.23 -16.33 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -55.19 -58.08 -2.89 O2 + O2(g) -56.84 -59.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19368,7 +19236,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.412 Adjusted to redox equilibrium + pe = 0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 64094 Density (g/cm³) = 1.02567 Volume (L) = 1.01626 @@ -19376,11 +19244,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 7.247e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.275e-17 + Total alkalinity (eq/kg) = -8.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.894e-13 + Electrical balance (eq) = -6.792e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19395,22 +19263,21 @@ Reaction 1. Cl 7.247e-01 Cl- 7.247e-01 4.539e-01 -0.140 -0.343 -0.203 18.82 HCl 8.293e-09 1.687e-08 -8.081 -7.773 0.308 (0) -H(0) 9.321e-17 - H2 4.660e-17 5.507e-17 -16.332 -16.259 0.072 28.61 +H(0) 5.622e-18 + H2 2.811e-18 3.322e-18 -17.551 -17.479 0.072 28.61 Na 7.247e-01 Na+ 7.247e-01 5.209e-01 -0.140 -0.283 -0.143 -0.47 - NaOH 4.034e-18 4.767e-18 -17.394 -17.322 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.956 -59.883 0.072 30.40 + O2 0.000e+00 0.000e+00 -57.517 -57.444 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.16 -16.26 -3.10 H2 + H2(g) -14.38 -17.48 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -56.99 -59.88 -2.89 O2 + O2(g) -54.55 -57.44 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19446,7 +19313,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = -0.393 Adjusted to redox equilibrium + pe = -0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69762 Density (g/cm³) = 1.02852 Volume (L) = 1.01770 @@ -19454,11 +19321,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.996e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.272e-17 + Total alkalinity (eq/kg) = 4.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.420e-15 + Electrical balance (eq) = -5.293e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19473,22 +19340,21 @@ Reaction 1. Cl 7.996e-01 Cl- 7.996e-01 4.963e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.849e-08 -8.073 -7.733 0.340 (0) -H(0) 8.440e-17 - H2 4.220e-17 5.073e-17 -16.375 -16.295 0.080 28.61 +H(0) 5.855e-17 + H2 2.928e-17 3.520e-17 -16.533 -16.454 0.080 28.61 Na 7.996e-01 Na+ 7.996e-01 5.767e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.367e-18 5.249e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.894 -59.814 0.080 30.40 + O2 0.000e+00 0.000e+00 -59.577 -59.497 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.60 -59.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19524,7 +19390,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = -0.393 Adjusted to redox equilibrium + pe = -0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69762 Density (g/cm³) = 1.02852 Volume (L) = 1.01770 @@ -19532,11 +19398,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.996e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.272e-17 + Total alkalinity (eq/kg) = 4.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.420e-15 + Electrical balance (eq) = -5.293e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19551,22 +19417,21 @@ Reaction 1. Cl 7.996e-01 Cl- 7.996e-01 4.963e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.849e-08 -8.073 -7.733 0.340 (0) -H(0) 8.440e-17 - H2 4.220e-17 5.073e-17 -16.375 -16.295 0.080 28.61 +H(0) 5.855e-17 + H2 2.928e-17 3.520e-17 -16.533 -16.454 0.080 28.61 Na 7.996e-01 Na+ 7.996e-01 5.767e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.367e-18 5.249e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.894 -59.814 0.080 30.40 + O2 0.000e+00 0.000e+00 -59.577 -59.497 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.60 -59.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19602,7 +19467,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 0.246 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69794 Density (g/cm³) = 1.02854 Volume (L) = 1.01771 @@ -19610,11 +19475,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.492e-17 + Total alkalinity (eq/kg) = 8.765e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.625e-10 + Electrical balance (eq) = -1.595e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19629,22 +19494,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.965e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.850e-08 -8.073 -7.733 0.340 (0) -H(0) 4.435e-18 - H2 2.217e-18 2.666e-18 -17.654 -17.574 0.080 28.61 +H(0) 1.559e-15 + H2 7.794e-16 9.370e-16 -15.108 -15.028 0.080 28.61 Na 8.000e-01 Na+ 8.000e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.369e-18 5.252e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.336 -57.256 0.080 30.40 + O2 0.000e+00 0.000e+00 -62.427 -62.347 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.47 -17.57 -3.10 H2 + H2(g) -11.93 -15.03 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -54.36 -57.26 -2.89 O2 + O2(g) -59.46 -62.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19680,7 +19544,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 0.246 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69794 Density (g/cm³) = 1.02854 Volume (L) = 1.01771 @@ -19688,11 +19552,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.492e-17 + Total alkalinity (eq/kg) = 8.765e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.625e-10 + Electrical balance (eq) = -1.595e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19707,22 +19571,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.965e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.850e-08 -8.073 -7.733 0.340 (0) -H(0) 4.435e-18 - H2 2.217e-18 2.666e-18 -17.654 -17.574 0.080 28.61 +H(0) 1.559e-15 + H2 7.794e-16 9.370e-16 -15.108 -15.028 0.080 28.61 Na 8.000e-01 Na+ 8.000e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.369e-18 5.252e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.336 -57.256 0.080 30.40 + O2 0.000e+00 0.000e+00 -62.427 -62.347 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.47 -17.57 -3.10 H2 + H2(g) -11.93 -15.03 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -54.36 -57.26 -2.89 O2 + O2(g) -59.46 -62.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19758,7 +19621,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = -0.701 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 73788 Density (g/cm³) = 1.03057 Volume (L) = 1.01875 @@ -19766,11 +19629,11 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.538e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.960e-17 + Total alkalinity (eq/kg) = 5.035e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.644e-09 + Electrical balance (eq) = -1.098e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19785,22 +19648,21 @@ Reaction 1. Cl 8.538e-01 Cl- 8.538e-01 5.268e-01 -0.069 -0.278 -0.210 18.88 HCl 8.519e-09 1.967e-08 -8.070 -7.706 0.363 (0) -H(0) 5.383e-17 - H2 2.691e-17 3.276e-17 -16.570 -16.485 0.085 28.61 +H(0) 3.451e-16 + H2 1.726e-16 2.100e-16 -15.763 -15.678 0.085 28.61 Na 8.538e-01 Na+ 8.538e-01 6.178e-01 -0.069 -0.209 -0.141 -0.39 - NaOH 4.602e-18 5.602e-18 -17.337 -17.252 0.085 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.522 -59.436 0.085 30.40 + O2 0.000e+00 0.000e+00 -61.136 -61.050 0.085 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.38 -16.48 -3.10 H2 + H2(g) -12.58 -15.68 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.06 -0.49 1.57 NaCl - O2(g) -56.54 -59.44 -2.89 O2 + O2(g) -58.16 -61.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19836,7 +19698,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.223 Adjusted to redox equilibrium + pe = -0.378 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 74506 Density (g/cm³) = 1.03094 Volume (L) = 1.01894 @@ -19844,11 +19706,11 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.636e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.265e-17 + Total alkalinity (eq/kg) = 6.283e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.104e-14 + Electrical balance (eq) = -9.442e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19863,22 +19725,21 @@ Reaction 1. Cl 8.636e-01 Cl- 8.636e-01 5.323e-01 -0.064 -0.274 -0.210 18.88 HCl 8.528e-09 1.988e-08 -8.069 -7.702 0.368 (0) -H(0) 3.806e-17 - H2 1.903e-17 2.322e-17 -16.721 -16.634 0.086 28.61 +H(0) 7.779e-17 + H2 3.889e-17 4.745e-17 -16.410 -16.324 0.086 28.61 Na 8.636e-01 Na+ 8.636e-01 6.252e-01 -0.064 -0.204 -0.140 -0.38 - NaOH 4.644e-18 5.666e-18 -17.333 -17.247 0.086 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.224 -59.137 0.086 30.40 + O2 0.000e+00 0.000e+00 -59.845 -59.758 0.086 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.22 -16.32 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.05 -0.48 1.57 NaCl - O2(g) -56.25 -59.14 -2.89 O2 + O2(g) -56.87 -59.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19914,7 +19775,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.418 Adjusted to redox equilibrium + pe = -0.462 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 75276 Density (g/cm³) = 1.03134 Volume (L) = 1.01915 @@ -19922,11 +19783,11 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 8.741e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.998e-17 + Total alkalinity (eq/kg) = 1.053e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.593e-09 + Electrical balance (eq) = -3.730e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 46 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19941,22 +19802,21 @@ Reaction 1. Cl 8.741e-01 Cl- 8.741e-01 5.382e-01 -0.058 -0.269 -0.211 18.89 HCl 8.537e-09 2.011e-08 -8.069 -7.697 0.372 (0) -H(0) 9.341e-17 - H2 4.671e-17 5.712e-17 -16.331 -16.243 0.087 28.61 +H(0) 1.141e-16 + H2 5.705e-17 6.977e-17 -16.244 -16.156 0.087 28.61 Na 8.741e-01 Na+ 8.741e-01 6.333e-01 -0.058 -0.198 -0.140 -0.38 - NaOH 4.689e-18 5.735e-18 -17.329 -17.241 0.087 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.007 -59.920 0.087 30.40 + O2 0.000e+00 0.000e+00 -60.181 -60.094 0.087 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.06 -16.16 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.04 -0.47 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -57.20 -60.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19992,7 +19852,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.612 Adjusted to redox equilibrium + pe = -0.503 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77164 Density (g/cm³) = 1.03231 Volume (L) = 1.01965 @@ -20000,11 +19860,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.304e-16 + Total alkalinity (eq/kg) = 4.304e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.187e-10 + Electrical balance (eq) = -1.387e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20019,22 +19879,21 @@ Reaction 1. Cl 9.000e-01 Cl- 9.000e-01 5.527e-01 -0.046 -0.257 -0.212 18.90 HCl 8.555e-09 2.067e-08 -8.068 -7.685 0.383 (0) -H(0) 2.271e-16 - H2 1.136e-16 1.397e-16 -15.945 -15.855 0.090 28.61 +H(0) 1.373e-16 + H2 6.867e-17 8.449e-17 -16.163 -16.073 0.090 28.61 Na 9.000e-01 Na+ 9.000e-01 6.532e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 4.799e-18 5.905e-18 -17.319 -17.229 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.787 -60.697 0.090 30.40 + O2 0.000e+00 0.000e+00 -60.351 -60.261 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.75 -15.85 -3.10 H2 + H2(g) -12.97 -16.07 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -57.81 -60.70 -2.89 O2 + O2(g) -57.37 -60.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20070,7 +19929,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.070 Adjusted to redox equilibrium + pe = 0.330 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77254 Density (g/cm³) = 1.03236 Volume (L) = 1.01967 @@ -20078,11 +19937,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.660e-17 + Total alkalinity (eq/kg) = -1.241e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.024e-10 + Electrical balance (eq) = -2.443e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20097,22 +19956,21 @@ Reaction 1. Cl 9.013e-01 Cl- 9.012e-01 5.534e-01 -0.045 -0.257 -0.212 18.90 HCl 8.556e-09 2.069e-08 -8.068 -7.684 0.384 (0) -H(0) 1.870e-17 - H2 9.351e-18 1.151e-17 -17.029 -16.939 0.090 28.61 +H(0) 2.969e-18 + H2 1.484e-18 1.827e-18 -17.828 -17.738 0.090 28.61 Na 9.013e-01 Na+ 9.013e-01 6.541e-01 -0.045 -0.184 -0.139 -0.36 - NaOH 4.805e-18 5.913e-18 -17.318 -17.228 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.619 -58.529 0.090 30.40 + O2 0.000e+00 0.000e+00 -57.020 -56.930 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.84 -16.94 -3.10 H2 + H2(g) -14.64 -17.74 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -55.64 -58.53 -2.89 O2 + O2(g) -54.04 -56.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20148,7 +20006,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.070 Adjusted to redox equilibrium + pe = 0.330 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77254 Density (g/cm³) = 1.03236 Volume (L) = 1.01967 @@ -20156,11 +20014,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.660e-17 + Total alkalinity (eq/kg) = -1.241e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.024e-10 + Electrical balance (eq) = -2.443e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20175,22 +20033,21 @@ Reaction 1. Cl 9.013e-01 Cl- 9.012e-01 5.534e-01 -0.045 -0.257 -0.212 18.90 HCl 8.556e-09 2.069e-08 -8.068 -7.684 0.384 (0) -H(0) 1.870e-17 - H2 9.351e-18 1.151e-17 -17.029 -16.939 0.090 28.61 +H(0) 2.969e-18 + H2 1.484e-18 1.827e-18 -17.828 -17.738 0.090 28.61 Na 9.013e-01 Na+ 9.013e-01 6.541e-01 -0.045 -0.184 -0.139 -0.36 - NaOH 4.805e-18 5.913e-18 -17.318 -17.228 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.619 -58.529 0.090 30.40 + O2 0.000e+00 0.000e+00 -57.020 -56.930 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.84 -16.94 -3.10 H2 + H2(g) -14.64 -17.74 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -55.64 -58.53 -2.89 O2 + O2(g) -54.04 -56.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20226,7 +20083,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.422 Adjusted to redox equilibrium + pe = -0.307 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 78669 Density (g/cm³) = 1.03310 Volume (L) = 1.02005 @@ -20234,11 +20091,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.208e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.183e-17 + Total alkalinity (eq/kg) = 3.608e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.396e-09 + Electrical balance (eq) = -3.813e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 45 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20253,22 +20110,21 @@ Reaction 1. Cl 9.208e-01 Cl- 9.208e-01 5.644e-01 -0.036 -0.248 -0.213 18.91 HCl 8.565e-09 2.112e-08 -8.067 -7.675 0.392 (0) -H(0) 9.427e-17 - H2 4.713e-17 5.826e-17 -16.327 -16.235 0.092 28.61 +H(0) 5.551e-17 + H2 2.776e-17 3.431e-17 -16.557 -16.465 0.092 28.61 Na 9.208e-01 Na+ 9.208e-01 6.692e-01 -0.036 -0.174 -0.139 -0.35 - NaOH 4.887e-18 6.041e-18 -17.311 -17.219 0.092 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.031 -59.938 0.092 30.40 + O2 0.000e+00 0.000e+00 -59.571 -59.478 0.092 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.13 -16.23 -3.10 H2 + H2(g) -13.36 -16.46 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.99 -0.42 1.57 NaCl - O2(g) -57.05 -59.94 -2.89 O2 + O2(g) -56.59 -59.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20304,7 +20160,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.485 Adjusted to redox equilibrium + pe = -0.107 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 81742 Density (g/cm³) = 1.03470 Volume (L) = 1.02089 @@ -20312,11 +20168,11 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.636e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.469e-17 + Total alkalinity (eq/kg) = -1.120e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.261e-10 + Electrical balance (eq) = -5.669e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20331,22 +20187,21 @@ Reaction 1. Cl 9.636e-01 Cl- 9.636e-01 5.883e-01 -0.016 -0.230 -0.214 18.93 HCl 8.573e-09 2.204e-08 -8.067 -7.657 0.410 (0) -H(0) 1.251e-16 - H2 6.257e-17 7.811e-17 -16.204 -16.107 0.096 28.61 +H(0) 2.196e-17 + H2 1.098e-17 1.371e-17 -16.959 -16.863 0.096 28.61 Na 9.636e-01 Na+ 9.636e-01 7.026e-01 -0.016 -0.153 -0.137 -0.33 - NaOH 5.066e-18 6.325e-18 -17.295 -17.199 0.096 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.291 -60.194 0.096 30.40 + O2 0.000e+00 0.000e+00 -58.779 -58.683 0.096 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.01 -16.11 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.95 -0.38 1.57 NaCl - O2(g) -57.30 -60.19 -2.89 O2 + O2(g) -55.79 -58.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20382,7 +20237,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.354 Adjusted to redox equilibrium + pe = -0.572 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 82954 Density (g/cm³) = 1.03534 Volume (L) = 1.02123 @@ -20390,11 +20245,11 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.807e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.803e-17 + Total alkalinity (eq/kg) = 1.717e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.019e-13 + Electrical balance (eq) = -6.381e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20409,22 +20264,21 @@ Reaction 1. Cl 9.807e-01 Cl- 9.807e-01 5.979e-01 -0.008 -0.223 -0.215 18.94 HCl 8.572e-09 2.241e-08 -8.067 -7.650 0.417 (0) -H(0) 6.815e-17 - H2 3.408e-17 4.271e-17 -16.468 -16.369 0.098 28.61 +H(0) 1.865e-16 + H2 9.324e-17 1.169e-16 -16.030 -15.932 0.098 28.61 Na 9.807e-01 Na+ 9.807e-01 7.160e-01 -0.008 -0.145 -0.137 -0.32 - NaOH 5.137e-18 6.438e-18 -17.289 -17.191 0.098 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.769 -59.671 0.098 30.40 + O2 0.000e+00 0.000e+00 -60.643 -60.545 0.098 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.27 -16.37 -3.10 H2 + H2(g) -12.83 -15.93 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.94 -0.37 1.57 NaCl - O2(g) -56.78 -59.67 -2.89 O2 + O2(g) -57.65 -60.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20460,7 +20314,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.446 Adjusted to redox equilibrium + pe = -0.186 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 83365 Density (g/cm³) = 1.03556 Volume (L) = 1.02134 @@ -20468,11 +20322,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.865e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.025e-16 + Total alkalinity (eq/kg) = 7.812e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.096e-11 + Electrical balance (eq) = -2.607e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 40 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20487,22 +20341,21 @@ Reaction 1. Cl 9.865e-01 Cl- 9.865e-01 6.011e-01 -0.006 -0.221 -0.215 18.94 HCl 8.571e-09 2.254e-08 -8.067 -7.647 0.420 (0) -H(0) 1.042e-16 - H2 5.209e-17 6.538e-17 -16.283 -16.185 0.099 28.61 +H(0) 3.148e-17 + H2 1.574e-17 1.975e-17 -16.803 -16.704 0.099 28.61 Na 9.865e-01 Na+ 9.865e-01 7.206e-01 -0.006 -0.142 -0.136 -0.31 - NaOH 5.161e-18 6.477e-18 -17.287 -17.189 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.139 -60.040 0.099 30.40 + O2 0.000e+00 0.000e+00 -59.099 -59.001 0.099 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -57.15 -60.04 -2.89 O2 + O2(g) -56.11 -59.00 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20538,7 +20391,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.184 Adjusted to redox equilibrium + pe = -0.059 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 83946 Density (g/cm³) = 1.03586 Volume (L) = 1.02150 @@ -20546,9 +20399,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.947e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.088e-17 + Total alkalinity (eq/kg) = -7.589e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.774e-11 + Electrical balance (eq) = -4.233e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -20565,22 +20418,21 @@ Reaction 1. Cl 9.947e-01 Cl- 9.947e-01 6.057e-01 -0.002 -0.218 -0.215 18.94 HCl 8.569e-09 2.271e-08 -8.067 -7.644 0.423 (0) -H(0) 3.118e-17 - H2 1.559e-17 1.961e-17 -16.807 -16.708 0.099 28.61 +H(0) 1.752e-17 + H2 8.762e-18 1.102e-17 -17.057 -16.958 0.099 28.61 Na 9.947e-01 Na+ 9.947e-01 7.271e-01 -0.002 -0.138 -0.136 -0.31 - NaOH 5.194e-18 6.531e-18 -17.284 -17.185 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.094 -58.995 0.099 30.40 + O2 0.000e+00 0.000e+00 -58.594 -58.494 0.099 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.86 -16.96 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.60 -58.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20616,7 +20468,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.384 Adjusted to redox equilibrium + pe = 0.010 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84006 Density (g/cm³) = 1.03590 Volume (L) = 1.02152 @@ -20624,9 +20476,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.956e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.935e-17 + Total alkalinity (eq/kg) = -1.976e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.348e-14 + Electrical balance (eq) = -3.221e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -20643,22 +20495,21 @@ Reaction 1. Cl 9.956e-01 Cl- 9.956e-01 6.062e-01 -0.002 -0.217 -0.215 18.94 HCl 8.569e-09 2.273e-08 -8.067 -7.643 0.424 (0) -H(0) 7.836e-17 - H2 3.918e-17 4.927e-17 -16.407 -16.307 0.100 28.61 +H(0) 1.277e-17 + H2 6.385e-18 8.031e-18 -17.195 -17.095 0.100 28.61 Na 9.956e-01 Na+ 9.956e-01 7.278e-01 -0.002 -0.138 -0.136 -0.31 - NaOH 5.198e-18 6.537e-18 -17.284 -17.185 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.895 -59.795 0.100 30.40 + O2 0.000e+00 0.000e+00 -58.319 -58.219 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.21 -16.31 -3.10 H2 + H2(g) -13.99 -17.10 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -56.90 -59.80 -2.89 O2 + O2(g) -55.33 -58.22 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20694,7 +20545,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.233 Adjusted to redox equilibrium + pe = 0.042 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84262 Density (g/cm³) = 1.03603 Volume (L) = 1.02159 @@ -20702,9 +20553,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.990e-17 + Total alkalinity (eq/kg) = -2.453e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.342e-11 + Electrical balance (eq) = -5.692e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -20721,22 +20572,21 @@ Reaction 1. Cl 9.992e-01 Cl- 9.992e-01 6.082e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.281e-08 -8.067 -7.642 0.425 (0) -H(0) 3.907e-17 - H2 1.954e-17 2.459e-17 -16.709 -16.609 0.100 28.61 +H(0) 1.098e-17 + H2 5.492e-18 6.913e-18 -17.260 -17.160 0.100 28.61 Na 9.992e-01 Na+ 9.992e-01 7.306e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 5.213e-18 6.561e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.291 -59.192 0.100 30.40 + O2 0.000e+00 0.000e+00 -58.189 -58.089 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -14.06 -17.16 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.30 -59.19 -2.89 O2 + O2(g) -55.20 -58.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20772,7 +20622,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20780,11 +20630,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20799,22 +20649,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20850,7 +20699,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20858,11 +20707,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20877,22 +20726,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20928,7 +20776,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20936,11 +20784,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20955,22 +20803,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21006,7 +20853,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -21014,11 +20861,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21033,22 +20880,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21084,7 +20930,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -21092,11 +20938,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21111,22 +20957,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21162,7 +21007,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -21170,11 +21015,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21189,22 +21034,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21240,7 +21084,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.224 Adjusted to redox equilibrium + pe = 0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84325 Density (g/cm³) = 1.03606 Volume (L) = 1.02161 @@ -21248,11 +21092,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.016e-17 + Total alkalinity (eq/kg) = -1.487e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.497e-11 + Electrical balance (eq) = -5.628e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21267,22 +21111,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.641 0.426 (0) -H(0) 3.741e-17 - H2 1.871e-17 2.355e-17 -16.728 -16.628 0.100 28.61 +H(0) 2.165e-18 + H2 1.082e-18 1.363e-18 -17.966 -17.866 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.217e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.254 -59.154 0.100 30.40 + O2 0.000e+00 0.000e+00 -56.779 -56.679 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -14.76 -17.87 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.26 -59.15 -2.89 O2 + O2(g) -53.79 -56.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21318,7 +21161,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.224 Adjusted to redox equilibrium + pe = 0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84325 Density (g/cm³) = 1.03606 Volume (L) = 1.02161 @@ -21326,11 +21169,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.016e-17 + Total alkalinity (eq/kg) = -1.487e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.497e-11 + Electrical balance (eq) = -5.628e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21345,22 +21188,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.641 0.426 (0) -H(0) 3.741e-17 - H2 1.871e-17 2.355e-17 -16.728 -16.628 0.100 28.61 +H(0) 2.165e-18 + H2 1.082e-18 1.363e-18 -17.966 -17.866 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.217e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.254 -59.154 0.100 30.40 + O2 0.000e+00 0.000e+00 -56.779 -56.679 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -14.76 -17.87 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.26 -59.15 -2.89 O2 + O2(g) -53.79 -56.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21396,7 +21238,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.324 Adjusted to redox equilibrium + pe = -0.343 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84403 Density (g/cm³) = 1.03610 Volume (L) = 1.02163 @@ -21404,11 +21246,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.001e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.644e-17 + Total alkalinity (eq/kg) = -6.222e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.254e-11 + Electrical balance (eq) = -9.427e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21423,22 +21265,21 @@ Reaction 1. Cl 1.001e+00 Cl- 1.001e+00 6.093e-01 0.001 -0.215 -0.216 18.95 HCl 8.568e-09 2.285e-08 -8.067 -7.641 0.426 (0) -H(0) 5.939e-17 - H2 2.970e-17 3.740e-17 -16.527 -16.427 0.100 28.61 +H(0) 6.472e-17 + H2 3.236e-17 4.075e-17 -16.490 -16.390 0.100 28.61 Na 1.001e+00 Na+ 1.001e+00 7.322e-01 0.001 -0.135 -0.136 -0.31 - NaOH 5.221e-18 6.575e-18 -17.282 -17.182 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.656 -59.556 0.100 30.40 + O2 0.000e+00 0.000e+00 -59.730 -59.630 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.33 -16.43 -3.10 H2 + H2(g) -13.29 -16.39 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.66 -59.56 -2.89 O2 + O2(g) -56.74 -59.63 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21474,7 +21315,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -1.077 Adjusted to redox equilibrium + pe = -1.036 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84558 Density (g/cm³) = 1.03619 Volume (L) = 1.02167 @@ -21482,11 +21323,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.712e-16 + Total alkalinity (eq/kg) = 2.245e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.181e-12 + Electrical balance (eq) = -4.136e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21501,22 +21342,21 @@ Reaction 1. Cl 1.003e+00 Cl- 1.003e+00 6.105e-01 0.001 -0.214 -0.216 18.95 HCl 8.567e-09 2.290e-08 -8.067 -7.640 0.427 (0) -H(0) 1.903e-15 - H2 9.516e-16 1.199e-15 -15.022 -14.921 0.100 28.61 +H(0) 1.573e-15 + H2 7.866e-16 9.910e-16 -15.104 -15.004 0.100 28.61 Na 1.003e+00 Na+ 1.003e+00 7.339e-01 0.001 -0.134 -0.136 -0.31 - NaOH 5.230e-18 6.589e-18 -17.281 -17.181 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.668 -62.568 0.100 30.40 + O2 0.000e+00 0.000e+00 -62.503 -62.402 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.82 -14.92 -3.10 H2 + H2(g) -11.90 -15.00 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -59.68 -62.57 -2.89 O2 + O2(g) -59.51 -62.40 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21552,7 +21392,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.389 Adjusted to redox equilibrium + pe = -0.264 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84804 Density (g/cm³) = 1.03632 Volume (L) = 1.02174 @@ -21560,11 +21400,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.007e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.954e-17 + Total alkalinity (eq/kg) = 4.422e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.186e-14 + Electrical balance (eq) = -3.842e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21579,22 +21419,21 @@ Reaction 1. Cl 1.007e+00 Cl- 1.007e+00 6.125e-01 0.003 -0.213 -0.216 18.95 HCl 8.566e-09 2.298e-08 -8.067 -7.639 0.429 (0) -H(0) 7.980e-17 - H2 3.990e-17 5.031e-17 -16.399 -16.298 0.101 28.61 +H(0) 4.498e-17 + H2 2.249e-17 2.836e-17 -16.648 -16.547 0.101 28.61 Na 1.007e+00 Na+ 1.007e+00 7.367e-01 0.003 -0.133 -0.136 -0.30 - NaOH 5.244e-18 6.613e-18 -17.280 -17.180 0.101 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.914 -59.814 0.101 30.40 + O2 0.000e+00 0.000e+00 -59.416 -59.316 0.101 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.45 -16.55 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.42 -59.32 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21630,7 +21469,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = 0.048 Adjusted to redox equilibrium + pe = -0.402 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 85644 Density (g/cm³) = 1.03676 Volume (L) = 1.02197 @@ -21638,11 +21477,11 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.019e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.094e-17 + Total alkalinity (eq/kg) = 6.510e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.957e-16 + Electrical balance (eq) = -4.818e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21657,22 +21496,21 @@ Reaction 1. Cl 1.019e+00 Cl- 1.019e+00 6.192e-01 0.008 -0.208 -0.216 18.95 HCl 8.561e-09 2.324e-08 -8.067 -7.634 0.434 (0) -H(0) 1.063e-17 - H2 5.317e-18 6.723e-18 -17.274 -17.172 0.102 28.61 +H(0) 8.474e-17 + H2 4.237e-17 5.357e-17 -16.373 -16.271 0.102 28.61 Na 1.019e+00 Na+ 1.019e+00 7.462e-01 0.008 -0.127 -0.135 -0.30 - NaOH 5.293e-18 6.693e-18 -17.276 -17.174 0.102 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.168 -58.066 0.102 30.40 + O2 0.000e+00 0.000e+00 -59.970 -59.868 0.102 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.07 -17.17 -3.10 H2 + H2(g) -13.17 -16.27 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.91 -0.34 1.57 NaCl - O2(g) -55.17 -58.07 -2.89 O2 + O2(g) -56.98 -59.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21708,7 +21546,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = 0.008 Adjusted to redox equilibrium + pe = 0.194 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 85794 Density (g/cm³) = 1.03684 Volume (L) = 1.02202 @@ -21716,11 +21554,11 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.021e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.586e-17 + Total alkalinity (eq/kg) = -1.559e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.610e-12 + Electrical balance (eq) = -2.136e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21735,22 +21573,21 @@ Reaction 1. Cl 1.021e+00 Cl- 1.021e+00 6.204e-01 0.009 -0.207 -0.216 18.95 HCl 8.560e-09 2.328e-08 -8.068 -7.633 0.435 (0) -H(0) 1.283e-17 - H2 6.413e-18 8.113e-18 -17.193 -17.091 0.102 28.61 +H(0) 5.429e-18 + H2 2.714e-18 3.434e-18 -17.566 -17.464 0.102 28.61 Na 1.021e+00 Na+ 1.021e+00 7.479e-01 0.009 -0.126 -0.135 -0.30 - NaOH 5.302e-18 6.707e-18 -17.276 -17.173 0.102 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.331 -58.229 0.102 30.40 + O2 0.000e+00 0.000e+00 -57.584 -57.482 0.102 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.09 -3.10 H2 + H2(g) -14.36 -17.46 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.90 -0.33 1.57 NaCl - O2(g) -55.34 -58.23 -2.89 O2 + O2(g) -54.59 -57.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21786,7 +21623,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.017 Adjusted to redox equilibrium + pe = -0.835 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 97265 Density (g/cm³) = 1.04306 Volume (L) = 1.02533 @@ -21794,11 +21631,11 @@ Reaction 1. Activity of water = 0.960 Ionic strength (mol/kgw) = 1.189e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.201e-17 + Total alkalinity (eq/kg) = 2.110e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.484e-15 + Electrical balance (eq) = -7.846e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21813,22 +21650,21 @@ Reaction 1. Cl 1.189e+00 Cl- 1.189e+00 7.138e-01 0.075 -0.146 -0.222 19.02 HCl 8.395e-09 2.691e-08 -8.076 -7.570 0.506 (0) -H(0) 1.394e-17 - H2 6.970e-18 9.164e-18 -17.157 -17.038 0.119 28.61 +H(0) 6.040e-16 + H2 3.020e-16 3.971e-16 -15.520 -15.401 0.119 28.61 Na 1.189e+00 Na+ 1.189e+00 8.844e-01 0.075 -0.053 -0.128 -0.21 - NaOH 5.968e-18 7.848e-18 -17.224 -17.105 0.119 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.459 -58.340 0.119 30.40 + O2 0.000e+00 0.000e+00 -61.732 -61.614 0.119 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.94 -17.04 -3.10 H2 + H2(g) -12.30 -15.40 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.77 -0.20 1.57 NaCl - O2(g) -55.45 -58.34 -2.89 O2 + O2(g) -58.72 -61.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21864,7 +21700,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.411 Adjusted to redox equilibrium + pe = -0.322 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98011 Density (g/cm³) = 1.04347 Volume (L) = 1.02555 @@ -21872,11 +21708,11 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.390e-17 + Total alkalinity (eq/kg) = 1.628e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.364e-14 + Electrical balance (eq) = -1.827e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21891,22 +21727,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.378e-09 2.716e-08 -8.077 -7.566 0.511 (0) -H(0) 8.557e-17 - H2 4.278e-17 5.640e-17 -16.369 -16.249 0.120 28.61 +H(0) 5.675e-17 + H2 2.838e-17 3.741e-17 -16.547 -16.427 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.012e-18 7.925e-18 -17.221 -17.101 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.039 -59.919 0.120 30.40 + O2 0.000e+00 0.000e+00 -59.682 -59.562 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.15 -16.25 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21942,7 +21777,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.411 Adjusted to redox equilibrium + pe = -0.322 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98011 Density (g/cm³) = 1.04347 Volume (L) = 1.02555 @@ -21950,11 +21785,11 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.390e-17 + Total alkalinity (eq/kg) = 1.628e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.364e-14 + Electrical balance (eq) = -1.827e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21969,22 +21804,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.378e-09 2.716e-08 -8.077 -7.566 0.511 (0) -H(0) 8.557e-17 - H2 4.278e-17 5.640e-17 -16.369 -16.249 0.120 28.61 +H(0) 5.675e-17 + H2 2.838e-17 3.741e-17 -16.547 -16.427 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.012e-18 7.925e-18 -17.221 -17.101 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.039 -59.919 0.120 30.40 + O2 0.000e+00 0.000e+00 -59.682 -59.562 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.15 -16.25 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22020,7 +21854,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 0.002 Adjusted to redox equilibrium + pe = -0.245 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 102030 Density (g/cm³) = 1.04571 Volume (L) = 1.02677 @@ -22028,11 +21862,11 @@ Reaction 1. Activity of water = 0.957 Ionic strength (mol/kgw) = 1.261e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.366e-17 + Total alkalinity (eq/kg) = 1.724e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.433e-16 + Electrical balance (eq) = -1.455e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 30 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22047,22 +21881,21 @@ Reaction 1. Cl 1.261e+00 Cl- 1.261e+00 7.539e-01 0.101 -0.123 -0.223 19.05 HCl 8.276e-09 2.848e-08 -8.082 -7.545 0.537 (0) -H(0) 1.260e-17 - H2 6.299e-18 8.421e-18 -17.201 -17.075 0.126 28.61 +H(0) 3.932e-17 + H2 1.966e-17 2.629e-17 -16.706 -16.580 0.126 28.61 Na 1.261e+00 Na+ 1.261e+00 9.451e-01 0.101 -0.025 -0.125 -0.17 - NaOH 6.245e-18 8.349e-18 -17.204 -17.078 0.126 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.395 -58.269 0.126 30.40 + O2 0.000e+00 0.000e+00 -59.384 -59.258 0.126 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.97 -17.07 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.72 -0.15 1.57 NaCl - O2(g) -55.38 -58.27 -2.89 O2 + O2(g) -56.37 -59.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22098,7 +21931,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.444 Adjusted to redox equilibrium + pe = -0.428 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 105680 Density (g/cm³) = 1.04776 Volume (L) = 1.02790 @@ -22106,11 +21939,11 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.317e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.939e-17 + Total alkalinity (eq/kg) = -4.466e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.742e-10 + Electrical balance (eq) = -1.131e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22125,22 +21958,21 @@ Reaction 1. Cl 1.317e+00 Cl- 1.317e+00 7.852e-01 0.120 -0.105 -0.225 19.07 HCl 8.168e-09 2.970e-08 -8.088 -7.527 0.561 (0) -H(0) 9.752e-17 - H2 4.876e-17 6.604e-17 -16.312 -16.180 0.132 28.61 +H(0) 9.059e-17 + H2 4.529e-17 6.135e-17 -16.344 -16.212 0.132 28.61 Na 1.317e+00 Na+ 1.317e+00 9.934e-01 0.120 -0.003 -0.123 -0.15 - NaOH 6.457e-18 8.746e-18 -17.190 -17.058 0.132 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.191 -60.059 0.132 30.40 + O2 0.000e+00 0.000e+00 -60.127 -59.995 0.132 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.11 -16.21 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.68 -0.11 1.57 NaCl - O2(g) -57.17 -60.06 -2.89 O2 + O2(g) -57.10 -60.00 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22176,7 +22008,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.373 Adjusted to redox equilibrium + pe = -0.439 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 109955 Density (g/cm³) = 1.05021 Volume (L) = 1.02925 @@ -22184,11 +22016,11 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.385e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.077e-17 + Total alkalinity (eq/kg) = 9.172e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.825e-11 + Electrical balance (eq) = 5.085e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 7 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22203,22 +22035,21 @@ Reaction 1. Cl 1.385e+00 Cl- 1.385e+00 8.225e-01 0.141 -0.085 -0.226 19.09 HCl 8.023e-09 3.117e-08 -8.096 -7.506 0.589 (0) -H(0) 6.928e-17 - H2 3.464e-17 4.765e-17 -16.460 -16.322 0.138 28.61 +H(0) 9.386e-17 + H2 4.693e-17 6.456e-17 -16.329 -16.190 0.138 28.61 Na 1.385e+00 Na+ 1.385e+00 1.052e+00 0.141 0.022 -0.119 -0.12 - NaOH 6.706e-18 9.225e-18 -17.174 -17.035 0.138 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.916 -59.778 0.138 30.40 + O2 0.000e+00 0.000e+00 -60.180 -60.042 0.138 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.22 -16.32 -3.10 H2 + H2(g) -13.09 -16.19 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.63 -0.06 1.57 NaCl - O2(g) -56.89 -59.78 -2.89 O2 + O2(g) -57.15 -60.04 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22254,7 +22085,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.250 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 110436 Density (g/cm³) = 1.05049 Volume (L) = 1.02940 @@ -22262,11 +22093,11 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.392e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.382e-17 + Total alkalinity (eq/kg) = -4.513e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.443e-12 + Electrical balance (eq) = -5.415e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22281,22 +22112,21 @@ Reaction 1. Cl 1.392e+00 Cl- 1.392e+00 8.268e-01 0.144 -0.083 -0.226 19.10 HCl 8.006e-09 3.133e-08 -8.097 -7.504 0.593 (0) -H(0) 4.446e-17 - H2 2.223e-17 3.063e-17 -16.653 -16.514 0.139 28.61 +H(0) 3.941e-17 + H2 1.971e-17 2.715e-17 -16.705 -16.566 0.139 28.61 Na 1.392e+00 Na+ 1.392e+00 1.059e+00 0.144 0.025 -0.119 -0.11 - NaOH 6.734e-18 9.280e-18 -17.172 -17.032 0.139 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.534 -59.394 0.139 30.40 + O2 0.000e+00 0.000e+00 -59.429 -59.290 0.139 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.41 -16.51 -3.10 H2 + H2(g) -13.47 -16.57 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.63 -0.06 1.57 NaCl - O2(g) -56.50 -59.39 -2.89 O2 + O2(g) -56.40 -59.29 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22332,7 +22162,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.561 Adjusted to redox equilibrium + pe = -0.532 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 110918 Density (g/cm³) = 1.05077 Volume (L) = 1.02955 @@ -22340,11 +22170,11 @@ Reaction 1. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.400e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.083e-16 + Total alkalinity (eq/kg) = 8.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.259e-11 + Electrical balance (eq) = 1.192e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22359,22 +22189,21 @@ Reaction 1. Cl 1.400e+00 Cl- 1.400e+00 8.310e-01 0.146 -0.080 -0.227 19.10 HCl 7.988e-09 3.150e-08 -8.098 -7.502 0.596 (0) -H(0) 1.641e-16 - H2 8.207e-17 1.133e-16 -16.086 -15.946 0.140 28.61 +H(0) 1.436e-16 + H2 7.180e-17 9.911e-17 -16.144 -16.004 0.140 28.61 Na 1.400e+00 Na+ 1.400e+00 1.065e+00 0.146 0.028 -0.119 -0.11 - NaOH 6.763e-18 9.335e-18 -17.170 -17.030 0.140 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.671 -60.531 0.140 30.40 + O2 0.000e+00 0.000e+00 -60.555 -60.415 0.140 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.84 -15.95 -3.10 H2 + H2(g) -12.90 -16.00 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.62 -0.05 1.57 NaCl - O2(g) -57.64 -60.53 -2.89 O2 + O2(g) -57.52 -60.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22410,7 +22239,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 0.018 Adjusted to redox equilibrium + pe = -0.694 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 111781 Density (g/cm³) = 1.05126 Volume (L) = 1.02983 @@ -22418,11 +22247,11 @@ Reaction 1. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.414e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.079e-17 + Total alkalinity (eq/kg) = 2.351e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.536e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Electrical balance (eq) = -3.445e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22437,22 +22266,21 @@ Reaction 1. Cl 1.414e+00 Cl- 1.414e+00 8.387e-01 0.150 -0.076 -0.227 19.11 HCl 7.956e-09 3.180e-08 -8.099 -7.498 0.602 (0) -H(0) 1.139e-17 - H2 5.693e-18 7.884e-18 -17.245 -17.103 0.141 28.61 +H(0) 3.032e-16 + H2 1.516e-16 2.099e-16 -15.819 -15.678 0.141 28.61 Na 1.414e+00 Na+ 1.414e+00 1.078e+00 0.150 0.032 -0.118 -0.10 - NaOH 6.813e-18 9.434e-18 -17.167 -17.025 0.141 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.358 -58.216 0.141 30.40 + O2 0.000e+00 0.000e+00 -61.208 -61.067 0.141 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.00 -17.10 -3.10 H2 + H2(g) -12.58 -15.68 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.61 -0.04 1.57 NaCl - O2(g) -55.32 -58.22 -2.89 O2 + O2(g) -58.17 -61.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22488,7 +22316,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.457 Adjusted to redox equilibrium + pe = -0.587 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 115538 Density (g/cm³) = 1.05346 Volume (L) = 1.03106 @@ -22496,11 +22324,11 @@ Reaction 1. Activity of water = 0.950 Ionic strength (mol/kgw) = 1.475e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.192e-18 + Total alkalinity (eq/kg) = 1.514e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.071e-12 + Electrical balance (eq) = 6.717e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22515,22 +22343,21 @@ Reaction 1. Cl 1.475e+00 Cl- 1.475e+00 8.724e-01 0.169 -0.059 -0.228 19.13 HCl 7.808e-09 3.312e-08 -8.107 -7.480 0.628 (0) -H(0) 1.004e-16 - H2 5.020e-17 7.050e-17 -16.299 -16.152 0.147 28.61 +H(0) 1.831e-16 + H2 9.153e-17 1.285e-16 -16.038 -15.891 0.147 28.61 Na 1.475e+00 Na+ 1.475e+00 1.132e+00 0.169 0.054 -0.115 -0.07 - NaOH 7.032e-18 9.875e-18 -17.153 -17.005 0.147 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.269 -60.121 0.147 30.40 + O2 0.000e+00 0.000e+00 -60.790 -60.643 0.147 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.05 -16.15 -3.10 H2 + H2(g) -12.79 -15.89 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.58 -0.01 1.57 NaCl - O2(g) -57.23 -60.12 -2.89 O2 + O2(g) -57.75 -60.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22566,7 +22393,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.646 Adjusted to redox equilibrium + pe = -0.218 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117081 Density (g/cm³) = 1.05437 Volume (L) = 1.03157 @@ -22574,11 +22401,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.478e-16 + Total alkalinity (eq/kg) = -2.253e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.005e-11 + Electrical balance (eq) = -1.095e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22593,22 +22420,21 @@ Reaction 1. Cl 1.500e+00 Cl- 1.500e+00 8.865e-01 0.176 -0.052 -0.228 19.14 HCl 7.744e-09 3.368e-08 -8.111 -7.473 0.638 (0) -H(0) 2.386e-16 - H2 1.193e-16 1.685e-16 -15.923 -15.773 0.150 28.61 +H(0) 3.319e-17 + H2 1.660e-17 2.344e-17 -16.780 -16.630 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 7.122e-18 1.006e-17 -17.147 -16.997 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.029 -60.879 0.150 30.40 + O2 0.000e+00 0.000e+00 -59.316 -59.166 0.150 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.67 -15.77 -3.10 H2 + H2(g) -13.53 -16.63 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.56 0.01 1.57 NaCl - O2(g) -57.99 -60.88 -2.89 O2 + O2(g) -56.27 -59.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22644,7 +22470,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 0.758 Adjusted to redox equilibrium + pe = -0.342 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117198 Density (g/cm³) = 1.05444 Volume (L) = 1.03161 @@ -22652,9 +22478,9 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.502e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.437e-16 + Total alkalinity (eq/kg) = 5.782e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.661e-13 + Electrical balance (eq) = 1.302e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -22671,22 +22497,21 @@ Reaction 1. Cl 1.502e+00 Cl- 1.502e+00 8.876e-01 0.177 -0.052 -0.228 19.14 HCl 7.739e-09 3.372e-08 -8.111 -7.472 0.639 (0) -H(0) 3.707e-19 - H2 1.854e-19 2.619e-19 -18.732 -18.582 0.150 28.61 +H(0) 5.898e-17 + H2 2.949e-17 4.167e-17 -16.530 -16.380 0.150 28.61 Na 1.502e+00 Na+ 1.502e+00 1.157e+00 0.177 0.063 -0.113 -0.06 - NaOH 7.129e-18 1.007e-17 -17.147 -16.997 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.412 -55.262 0.150 30.40 + O2 0.000e+00 0.000e+00 -59.815 -59.665 0.150 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.48 -18.58 -3.10 H2 + H2(g) -13.28 -16.38 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.56 0.01 1.57 NaCl - O2(g) -52.37 -55.26 -2.89 O2 + O2(g) -56.77 -59.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22722,7 +22547,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.608 Adjusted to redox equilibrium + pe = -0.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117624 Density (g/cm³) = 1.05469 Volume (L) = 1.03175 @@ -22730,11 +22555,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.509e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.892e-17 + Total alkalinity (eq/kg) = 1.744e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.380e-10 + Electrical balance (eq) = -1.559e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22749,22 +22574,21 @@ Reaction 1. Cl 1.509e+00 Cl- 1.509e+00 8.915e-01 0.179 -0.050 -0.229 19.14 HCl 7.721e-09 3.387e-08 -8.112 -7.470 0.642 (0) -H(0) 2.004e-16 - H2 1.002e-16 1.418e-16 -15.999 -15.848 0.151 28.61 +H(0) 6.249e-17 + H2 3.124e-17 4.422e-17 -16.505 -16.354 0.151 28.61 Na 1.509e+00 Na+ 1.509e+00 1.163e+00 0.179 0.066 -0.113 -0.06 - NaOH 7.154e-18 1.013e-17 -17.145 -16.995 0.151 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.880 -60.729 0.151 30.40 + O2 0.000e+00 0.000e+00 -59.868 -59.717 0.151 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.75 -15.85 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.55 0.02 1.57 NaCl - O2(g) -57.84 -60.73 -2.89 O2 + O2(g) -56.82 -59.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22800,7 +22624,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.357 Adjusted to redox equilibrium + pe = -0.597 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 121447 Density (g/cm³) = 1.05697 Volume (L) = 1.03304 @@ -22808,11 +22632,11 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.572e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.285e-17 + Total alkalinity (eq/kg) = 1.127e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.690e-09 + Electrical balance (eq) = -4.800e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22827,22 +22651,21 @@ Reaction 1. Cl 1.572e+00 Cl- 1.572e+00 9.268e-01 0.197 -0.033 -0.230 19.16 HCl 7.552e-09 3.526e-08 -8.122 -7.453 0.669 (0) -H(0) 6.227e-17 - H2 3.114e-17 4.472e-17 -16.507 -16.349 0.157 28.61 +H(0) 1.878e-16 + H2 9.389e-17 1.349e-16 -16.027 -15.870 0.157 28.61 Na 1.572e+00 Na+ 1.572e+00 1.222e+00 0.197 0.087 -0.110 -0.03 - NaOH 7.378e-18 1.060e-17 -17.132 -16.975 0.157 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.886 -59.729 0.157 30.40 + O2 0.000e+00 0.000e+00 -60.845 -60.687 0.157 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.25 -16.35 -3.10 H2 + H2(g) -12.77 -15.87 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.52 0.05 1.57 NaCl - O2(g) -56.84 -59.73 -2.89 O2 + O2(g) -57.80 -60.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22878,7 +22701,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.626 Adjusted to redox equilibrium + pe = -0.413 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 122214 Density (g/cm³) = 1.05744 Volume (L) = 1.03331 @@ -22886,11 +22709,11 @@ Reaction 1. Activity of water = 0.946 Ionic strength (mol/kgw) = 1.585e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.184e-16 + Total alkalinity (eq/kg) = 6.275e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.045e-08 + Electrical balance (eq) = -5.711e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22905,22 +22728,21 @@ Reaction 1. Cl 1.585e+00 Cl- 1.585e+00 9.340e-01 0.200 -0.030 -0.230 19.16 HCl 7.517e-09 3.554e-08 -8.124 -7.449 0.675 (0) -H(0) 2.144e-16 - H2 1.072e-16 1.544e-16 -15.970 -15.811 0.159 28.61 +H(0) 8.039e-17 + H2 4.019e-17 5.790e-17 -16.396 -16.237 0.159 28.61 Na 1.585e+00 Na+ 1.585e+00 1.234e+00 0.200 0.091 -0.109 -0.03 - NaOH 7.423e-18 1.069e-17 -17.129 -16.971 0.159 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.964 -60.806 0.159 30.40 + O2 0.000e+00 0.000e+00 -60.112 -59.954 0.159 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.71 -15.81 -3.10 H2 + H2(g) -13.14 -16.24 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.51 0.06 1.57 NaCl - O2(g) -57.91 -60.81 -2.89 O2 + O2(g) -57.06 -59.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22956,7 +22778,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.491 Adjusted to redox equilibrium + pe = -0.549 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 123077 Density (g/cm³) = 1.05796 Volume (L) = 1.03360 @@ -22964,11 +22786,11 @@ Reaction 1. Activity of water = 0.946 Ionic strength (mol/kgw) = 1.600e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.114e-16 + Total alkalinity (eq/kg) = -3.503e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.671e-11 + Electrical balance (eq) = -1.675e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22983,22 +22805,21 @@ Reaction 1. Cl 1.600e+00 Cl- 1.600e+00 9.422e-01 0.204 -0.026 -0.230 19.17 HCl 7.476e-09 3.586e-08 -8.126 -7.445 0.681 (0) -H(0) 1.148e-16 - H2 5.740e-17 8.297e-17 -16.241 -16.081 0.160 28.61 +H(0) 1.497e-16 + H2 7.487e-17 1.082e-16 -16.126 -15.966 0.160 28.61 Na 1.600e+00 Na+ 1.600e+00 1.247e+00 0.204 0.096 -0.108 -0.02 - NaOH 7.474e-18 1.080e-17 -17.126 -16.966 0.160 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.426 -60.266 0.160 30.40 + O2 0.000e+00 0.000e+00 -60.657 -60.497 0.160 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.98 -16.08 -3.10 H2 + H2(g) -12.86 -15.97 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.50 0.07 1.57 NaCl - O2(g) -57.37 -60.27 -2.89 O2 + O2(g) -57.60 -60.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23034,7 +22855,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = -0.121 Adjusted to redox equilibrium + pe = -0.346 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 126895 Density (g/cm³) = 1.06029 Volume (L) = 1.03494 @@ -23042,11 +22863,11 @@ Reaction 1. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.665e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.477e-17 + Total alkalinity (eq/kg) = 5.258e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.150e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Electrical balance (eq) = -3.454e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 44 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23061,22 +22882,21 @@ Reaction 1. Cl 1.665e+00 Cl- 1.665e+00 9.785e-01 0.222 -0.009 -0.231 19.19 HCl 7.292e-09 3.730e-08 -8.137 -7.428 0.709 (0) -H(0) 2.058e-17 - H2 1.029e-17 1.510e-17 -16.988 -16.821 0.167 28.61 +H(0) 5.805e-17 + H2 2.902e-17 4.259e-17 -16.537 -16.371 0.167 28.61 Na 1.665e+00 Na+ 1.665e+00 1.309e+00 0.222 0.117 -0.105 0.01 - NaOH 7.699e-18 1.130e-17 -17.114 -16.947 0.167 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.955 -58.789 0.167 30.40 + O2 0.000e+00 0.000e+00 -59.856 -59.689 0.167 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.27 -16.37 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.46 0.11 1.57 NaCl - O2(g) -55.90 -58.79 -2.89 O2 + O2(g) -56.80 -59.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23112,7 +22932,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = -0.640 Adjusted to redox equilibrium + pe = 0.056 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 127323 Density (g/cm³) = 1.06055 Volume (L) = 1.03509 @@ -23120,11 +22940,11 @@ Reaction 1. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.673e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.457e-17 + Total alkalinity (eq/kg) = -1.562e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.501e-11 + Electrical balance (eq) = -1.014e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23139,22 +22959,21 @@ Reaction 1. Cl 1.673e+00 Cl- 1.673e+00 9.827e-01 0.223 -0.008 -0.231 19.19 HCl 7.271e-09 3.746e-08 -8.138 -7.426 0.712 (0) -H(0) 2.246e-16 - H2 1.123e-16 1.651e-16 -15.950 -15.782 0.167 28.61 +H(0) 9.096e-18 + H2 4.548e-18 6.685e-18 -17.342 -17.175 0.167 28.61 Na 1.673e+00 Na+ 1.673e+00 1.316e+00 0.223 0.119 -0.104 0.01 - NaOH 7.724e-18 1.135e-17 -17.112 -16.945 0.167 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.034 -60.866 0.167 30.40 + O2 0.000e+00 0.000e+00 -58.248 -58.081 0.167 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.68 -15.78 -3.10 H2 + H2(g) -14.07 -17.17 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.46 0.11 1.57 NaCl - O2(g) -57.97 -60.87 -2.89 O2 + O2(g) -55.19 -58.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23190,7 +23009,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = -0.807 Adjusted to redox equilibrium + pe = -0.652 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 133539 Density (g/cm³) = 1.06443 Volume (L) = 1.03733 @@ -23198,9 +23017,9 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.782e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.599e-16 + Total alkalinity (eq/kg) = 6.126e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.549e-16 + Electrical balance (eq) = -6.330e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -23217,22 +23036,21 @@ Reaction 1. Cl 1.782e+00 Cl- 1.782e+00 1.044e+00 0.251 0.019 -0.232 19.23 HCl 6.950e-09 3.987e-08 -8.158 -7.399 0.759 (0) -H(0) 4.745e-16 - H2 2.373e-16 3.577e-16 -15.625 -15.447 0.178 28.61 +H(0) 2.326e-16 + H2 1.163e-16 1.753e-16 -15.934 -15.756 0.178 28.61 Na 1.782e+00 Na+ 1.782e+00 1.423e+00 0.251 0.153 -0.098 0.06 - NaOH 8.092e-18 1.220e-17 -17.092 -16.914 0.178 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.719 -61.541 0.178 30.40 + O2 0.000e+00 0.000e+00 -61.100 -60.922 0.178 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.35 -15.45 -3.10 H2 + H2(g) -12.66 -15.76 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.40 0.17 1.57 NaCl - O2(g) -58.65 -61.54 -2.89 O2 + O2(g) -58.03 -60.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23268,7 +23086,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = -0.491 Adjusted to redox equilibrium + pe = 1.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 134516 Density (g/cm³) = 1.06505 Volume (L) = 1.03770 @@ -23276,11 +23094,11 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.057e-16 + Total alkalinity (eq/kg) = -1.398e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.705e-10 + Electrical balance (eq) = -6.286e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23295,22 +23113,21 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 HCl 6.898e-09 4.025e-08 -8.161 -7.395 0.766 (0) -H(0) 1.101e-16 - H2 5.507e-17 8.336e-17 -16.259 -16.079 0.180 28.61 +H(0) 3.749e-20 + H2 1.875e-20 2.837e-20 -19.727 -19.547 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.150e-18 1.234e-17 -17.089 -16.909 0.180 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.457 -60.277 0.180 30.40 + O2 0.000e+00 0.000e+00 -53.521 -53.341 0.180 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.98 -16.08 -3.10 H2 + H2(g) -16.45 -19.55 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.39 0.18 1.57 NaCl - O2(g) -57.38 -60.28 -2.89 O2 + O2(g) -50.45 -53.34 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23346,7 +23163,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.696 Adjusted to redox equilibrium + pe = -0.713 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 139947 Density (g/cm³) = 1.06854 Volume (L) = 1.03975 @@ -23354,11 +23171,11 @@ Reaction 1. Activity of water = 0.935 Ionic strength (mol/kgw) = 1.900e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.369e-16 + Total alkalinity (eq/kg) = -1.982e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.322e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.803e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23373,22 +23190,21 @@ Reaction 1. Cl 1.900e+00 Cl- 1.899e+00 1.109e+00 0.279 0.045 -0.234 19.26 HCl 6.598e-09 4.245e-08 -8.181 -7.372 0.808 (0) -H(0) 2.787e-16 - H2 1.394e-16 2.158e-16 -15.856 -15.666 0.190 28.61 +H(0) 3.010e-16 + H2 1.505e-16 2.331e-16 -15.822 -15.632 0.190 28.61 Na 1.900e+00 Na+ 1.900e+00 1.540e+00 0.279 0.188 -0.091 0.10 - NaOH 8.475e-18 1.312e-17 -17.072 -16.882 0.190 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.296 -61.106 0.190 30.40 + O2 0.000e+00 0.000e+00 -61.363 -61.173 0.190 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.56 -15.67 -3.10 H2 + H2(g) -12.53 -15.63 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.34 0.23 1.57 NaCl - O2(g) -58.21 -61.11 -2.89 O2 + O2(g) -58.28 -61.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23424,7 +23240,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.647 Adjusted to redox equilibrium + pe = -0.186 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142025 Density (g/cm³) = 1.06990 Volume (L) = 1.04055 @@ -23432,11 +23248,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.938e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.137e-16 + Total alkalinity (eq/kg) = 1.624e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.475e-08 + Electrical balance (eq) = 2.810e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23451,22 +23267,21 @@ Reaction 1. Cl 1.938e+00 Cl- 1.938e+00 1.131e+00 0.287 0.053 -0.234 19.27 HCl 6.480e-09 4.331e-08 -8.188 -7.363 0.825 (0) -H(0) 2.201e-16 - H2 1.100e-16 1.719e-16 -15.958 -15.765 0.194 28.61 +H(0) 2.642e-17 + H2 1.321e-17 2.064e-17 -16.879 -16.685 0.194 28.61 Na 1.938e+00 Na+ 1.938e+00 1.580e+00 0.287 0.199 -0.089 0.12 - NaOH 8.600e-18 1.344e-17 -17.066 -16.872 0.194 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.104 -60.910 0.194 30.40 + O2 0.000e+00 0.000e+00 -59.263 -59.069 0.194 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.66 -15.76 -3.10 H2 + H2(g) -13.58 -16.69 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.32 0.25 1.57 NaCl - O2(g) -58.02 -60.91 -2.89 O2 + O2(g) -56.18 -59.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23502,7 +23317,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.481 Adjusted to redox equilibrium + pe = -0.062 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142639 Density (g/cm³) = 1.07030 Volume (L) = 1.04079 @@ -23510,11 +23325,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.950e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.335e-17 + Total alkalinity (eq/kg) = -8.115e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.771e-14 + Electrical balance (eq) = 6.355e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23529,22 +23344,21 @@ Reaction 1. Cl 1.950e+00 Cl- 1.950e+00 1.137e+00 0.290 0.056 -0.234 19.28 HCl 6.445e-09 4.356e-08 -8.191 -7.361 0.830 (0) -H(0) 1.022e-16 - H2 5.109e-17 8.005e-17 -16.292 -16.097 0.195 28.61 +H(0) 1.486e-17 + H2 7.430e-18 1.164e-17 -17.129 -16.934 0.195 28.61 Na 1.950e+00 Na+ 1.950e+00 1.592e+00 0.290 0.202 -0.088 0.12 - NaOH 8.637e-18 1.353e-17 -17.064 -16.869 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.441 -60.246 0.195 30.40 + O2 0.000e+00 0.000e+00 -58.767 -58.572 0.195 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.00 -16.10 -3.10 H2 + H2(g) -13.83 -16.93 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -57.35 -60.25 -2.89 O2 + O2(g) -55.68 -58.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23580,7 +23394,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.365 Adjusted to redox equilibrium + pe = -0.356 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142882 Density (g/cm³) = 1.07046 Volume (L) = 1.04089 @@ -23588,11 +23402,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.955e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.649e-18 + Total alkalinity (eq/kg) = -2.184e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.607e-14 + Electrical balance (eq) = 7.008e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 43 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23607,22 +23421,21 @@ Reaction 1. Cl 1.955e+00 Cl- 1.955e+00 1.140e+00 0.291 0.057 -0.234 19.28 HCl 6.431e-09 4.367e-08 -8.192 -7.360 0.832 (0) -H(0) 5.983e-17 - H2 2.991e-17 4.692e-17 -16.524 -16.329 0.195 28.61 +H(0) 5.745e-17 + H2 2.872e-17 4.505e-17 -16.542 -16.346 0.195 28.61 Na 1.955e+00 Na+ 1.955e+00 1.597e+00 0.291 0.203 -0.088 0.12 - NaOH 8.652e-18 1.357e-17 -17.063 -16.867 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.978 -59.782 0.195 30.40 + O2 0.000e+00 0.000e+00 -59.943 -59.747 0.195 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.23 -16.33 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -56.89 -59.78 -2.89 O2 + O2(g) -56.85 -59.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23658,7 +23471,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.437 Adjusted to redox equilibrium + pe = -0.367 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 143220 Density (g/cm³) = 1.07069 Volume (L) = 1.04102 @@ -23666,9 +23479,9 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.961e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.941e-17 + Total alkalinity (eq/kg) = 1.655e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.745e-14 + Electrical balance (eq) = 9.498e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -23685,22 +23498,21 @@ Reaction 1. Cl 1.961e+00 Cl- 1.961e+00 1.144e+00 0.292 0.058 -0.234 19.28 HCl 6.411e-09 4.381e-08 -8.193 -7.358 0.835 (0) -H(0) 8.323e-17 - H2 4.162e-17 6.537e-17 -16.381 -16.185 0.196 28.61 +H(0) 6.047e-17 + H2 3.023e-17 4.749e-17 -16.519 -16.323 0.196 28.61 Na 1.961e+00 Na+ 1.961e+00 1.603e+00 0.292 0.205 -0.087 0.13 - NaOH 8.672e-18 1.362e-17 -17.062 -16.866 0.196 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.267 -60.071 0.196 30.40 + O2 0.000e+00 0.000e+00 -59.989 -59.793 0.196 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.22 -16.32 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -57.18 -60.07 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23736,7 +23548,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.555 Adjusted to redox equilibrium + pe = 10.807 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 143430 Density (g/cm³) = 1.07083 Volume (L) = 1.04110 @@ -23744,11 +23556,11 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.965e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.324e-16 + Total alkalinity (eq/kg) = 1.380e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.696e-09 + Electrical balance (eq) = 6.923e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23763,22 +23575,21 @@ Reaction 1. Cl 1.965e+00 Cl- 1.965e+00 1.146e+00 0.293 0.059 -0.234 19.28 HCl 6.399e-09 4.390e-08 -8.194 -7.358 0.836 (0) -H(0) 1.435e-16 - H2 7.176e-17 1.128e-16 -16.144 -15.948 0.197 28.61 +H(0) 2.712e-39 + H2 1.356e-39 2.132e-39 -38.868 -38.671 0.197 28.61 Na 1.965e+00 Na+ 1.965e+00 1.607e+00 0.293 0.206 -0.087 0.13 - NaOH 8.685e-18 1.365e-17 -17.061 -16.865 0.197 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.741 -60.545 0.197 30.40 +O(0) 1.016e-15 + O2 5.081e-16 7.988e-16 -15.294 -15.098 0.197 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -35.57 -38.67 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.30 0.27 1.57 NaCl - O2(g) -57.65 -60.54 -2.89 O2 + O2(g) -12.21 -15.10 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23814,7 +23625,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.280 Adjusted to redox equilibrium + pe = 1.347 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 144897 Density (g/cm³) = 1.07180 Volume (L) = 1.04168 @@ -23822,11 +23633,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 1.993e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.432e-17 + Total alkalinity (eq/kg) = -4.116e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 31 + Electrical balance (eq) = 8.262e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 49 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23841,22 +23652,21 @@ Reaction 1. Cl 1.993e+00 Cl- 1.993e+00 1.162e+00 0.300 0.065 -0.234 19.29 HCl 6.314e-09 4.452e-08 -8.200 -7.351 0.848 (0) -H(0) 4.018e-17 - H2 2.009e-17 3.179e-17 -16.697 -16.498 0.199 28.61 +H(0) 2.241e-20 + H2 1.121e-20 1.773e-20 -19.951 -19.751 0.199 28.61 Na 1.993e+00 Na+ 1.993e+00 1.637e+00 0.300 0.214 -0.086 0.14 - NaOH 8.773e-18 1.388e-17 -17.057 -16.858 0.199 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.645 -59.445 0.199 30.40 + O2 0.000e+00 0.000e+00 -53.138 -52.938 0.199 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -16.65 -19.75 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.55 -59.45 -2.89 O2 + O2(g) -50.05 -52.94 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23892,7 +23702,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.251 Adjusted to redox equilibrium + pe = -0.602 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 144949 Density (g/cm³) = 1.07183 Volume (L) = 1.04171 @@ -23900,11 +23710,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 1.994e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.562e-18 + Total alkalinity (eq/kg) = 1.767e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.939e-10 + Electrical balance (eq) = 1.709e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23919,22 +23729,21 @@ Reaction 1. Cl 1.994e+00 Cl- 1.994e+00 1.162e+00 0.300 0.065 -0.234 19.29 HCl 6.311e-09 4.454e-08 -8.200 -7.351 0.849 (0) -H(0) 3.510e-17 - H2 1.755e-17 2.777e-17 -16.756 -16.556 0.199 28.61 +H(0) 1.767e-16 + H2 8.837e-17 1.399e-16 -16.054 -15.854 0.199 28.61 Na 1.994e+00 Na+ 1.994e+00 1.638e+00 0.300 0.214 -0.085 0.14 - NaOH 8.776e-18 1.389e-17 -17.057 -16.857 0.199 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.528 -59.328 0.199 30.40 + O2 0.000e+00 0.000e+00 -60.932 -60.732 0.199 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.46 -16.56 -3.10 H2 + H2(g) -12.75 -15.85 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.44 -59.33 -2.89 O2 + O2(g) -57.84 -60.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23970,7 +23779,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -23978,9 +23787,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -23997,22 +23806,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24048,7 +23856,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -24056,9 +23864,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -24075,22 +23883,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24126,7 +23933,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -24134,9 +23941,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -24153,22 +23960,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24204,7 +24010,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -24212,9 +24018,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -24231,22 +24037,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24282,7 +24087,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -24290,9 +24095,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -24309,22 +24114,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24360,7 +24164,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 11.117 Adjusted to redox equilibrium + pe = -0.787 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145314 Density (g/cm³) = 1.07208 Volume (L) = 1.04185 @@ -24368,11 +24172,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.001e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.927e-17 + Total alkalinity (eq/kg) = 6.500e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.217e-14 + Electrical balance (eq) = 1.185e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24387,22 +24191,21 @@ Reaction 1. Cl 2.001e+00 Cl- 2.001e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.289e-09 4.469e-08 -8.201 -7.350 0.852 (0) -H(0) 6.463e-40 - H2 3.231e-40 5.122e-40 -39.491 -39.291 0.200 28.61 +H(0) 4.140e-16 + H2 2.070e-16 3.282e-16 -15.684 -15.484 0.200 28.61 Na 2.001e+00 Na+ 2.001e+00 1.645e+00 0.301 0.216 -0.085 0.14 - NaOH 8.799e-18 1.395e-17 -17.056 -16.855 0.200 (0) -O(0) 1.741e-14 - O2 8.704e-15 1.380e-14 -14.060 -13.860 0.200 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.674 -61.473 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.19 -39.29 -3.10 H2 + H2(g) -12.38 -15.48 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -10.97 -13.86 -2.89 O2 + O2(g) -58.58 -61.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24438,7 +24241,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.866 Adjusted to redox equilibrium + pe = -0.747 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145438 Density (g/cm³) = 1.07216 Volume (L) = 1.04190 @@ -24446,9 +24249,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.832e-16 + Total alkalinity (eq/kg) = 2.575e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.930e-11 + Electrical balance (eq) = 1.197e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -24465,22 +24268,21 @@ Reaction 1. Cl 2.003e+00 Cl- 2.003e+00 1.167e+00 0.302 0.067 -0.235 19.29 HCl 6.282e-09 4.475e-08 -8.202 -7.349 0.853 (0) -H(0) 5.956e-16 - H2 2.978e-16 4.724e-16 -15.526 -15.326 0.200 28.61 +H(0) 3.454e-16 + H2 1.727e-16 2.739e-16 -15.763 -15.562 0.200 28.61 Na 2.003e+00 Na+ 2.003e+00 1.648e+00 0.302 0.217 -0.085 0.14 - NaOH 8.806e-18 1.397e-17 -17.055 -16.855 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.990 -61.790 0.200 30.40 + O2 0.000e+00 0.000e+00 -61.517 -61.317 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.22 -15.33 -3.10 H2 + H2(g) -12.46 -15.56 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -58.90 -61.79 -2.89 O2 + O2(g) -58.42 -61.32 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24516,7 +24318,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.573 Adjusted to redox equilibrium + pe = -0.553 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 148574 Density (g/cm³) = 1.07427 Volume (L) = 1.04317 @@ -24524,11 +24326,11 @@ Reaction 1. Activity of water = 0.930 Ionic strength (mol/kgw) = 2.064e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.106e-16 + Total alkalinity (eq/kg) = 1.360e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.722e-14 + Electrical balance (eq) = 2.090e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24543,22 +24345,21 @@ Reaction 1. Cl 2.064e+00 Cl- 2.064e+00 1.202e+00 0.315 0.080 -0.235 19.31 HCl 6.097e-09 4.610e-08 -8.215 -7.336 0.879 (0) -H(0) 1.527e-16 - H2 7.634e-17 1.228e-16 -16.117 -15.911 0.206 28.61 +H(0) 1.396e-16 + H2 6.978e-17 1.122e-16 -16.156 -15.950 0.206 28.61 Na 2.064e+00 Na+ 2.064e+00 1.712e+00 0.315 0.234 -0.081 0.16 - NaOH 8.997e-18 1.447e-17 -17.046 -16.839 0.206 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.828 -60.622 0.206 30.40 + O2 0.000e+00 0.000e+00 -60.750 -60.544 0.206 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.81 -15.91 -3.10 H2 + H2(g) -12.85 -15.95 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.26 0.31 1.57 NaCl - O2(g) -57.73 -60.62 -2.89 O2 + O2(g) -57.65 -60.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24594,7 +24395,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.612 Adjusted to redox equilibrium + pe = -0.882 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 149823 Density (g/cm³) = 1.07512 Volume (L) = 1.04368 @@ -24602,10 +24403,10 @@ Reaction 1. Activity of water = 0.929 Ionic strength (mol/kgw) = 2.089e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.476e-16 + Total alkalinity (eq/kg) = 2.629e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.691e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.851e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24621,22 +24422,21 @@ Reaction 1. Cl 2.089e+00 Cl- 2.089e+00 1.216e+00 0.320 0.085 -0.235 19.32 HCl 6.022e-09 4.664e-08 -8.220 -7.331 0.889 (0) -H(0) 1.817e-16 - H2 9.084e-17 1.469e-16 -16.042 -15.833 0.209 28.61 +H(0) 6.308e-16 + H2 3.154e-16 5.102e-16 -15.501 -15.292 0.209 28.61 Na 2.089e+00 Na+ 2.089e+00 1.739e+00 0.320 0.240 -0.080 0.17 - NaOH 9.073e-18 1.468e-17 -17.042 -16.833 0.209 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.987 -60.778 0.209 30.40 + O2 0.000e+00 0.000e+00 -62.068 -61.860 0.209 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -12.19 -15.29 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.25 0.32 1.57 NaCl - O2(g) -57.89 -60.78 -2.89 O2 + O2(g) -58.97 -61.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24672,7 +24472,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.554 Adjusted to redox equilibrium + pe = -0.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 157841 Density (g/cm³) = 1.08071 Volume (L) = 1.04709 @@ -24680,11 +24480,11 @@ Reaction 1. Activity of water = 0.923 Ionic strength (mol/kgw) = 2.252e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.549e-17 + Total alkalinity (eq/kg) = 1.263e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.505e-13 + Electrical balance (eq) = 7.205e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24699,22 +24499,21 @@ Reaction 1. Cl 2.252e+00 Cl- 2.252e+00 1.307e+00 0.353 0.116 -0.236 19.36 HCl 5.533e-09 5.027e-08 -8.257 -7.299 0.958 (0) -H(0) 1.348e-16 - H2 6.741e-17 1.132e-16 -16.171 -15.946 0.225 28.61 +H(0) 1.275e-16 + H2 6.373e-17 1.070e-16 -16.196 -15.970 0.225 28.61 Na 2.252e+00 Na+ 2.252e+00 1.919e+00 0.353 0.283 -0.070 0.23 - NaOH 9.567e-18 1.607e-17 -17.019 -16.794 0.225 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.782 -60.557 0.225 30.40 + O2 0.000e+00 0.000e+00 -60.733 -60.508 0.225 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -12.87 -15.97 -3.10 H2 H2O(g) -1.54 -0.03 1.50 H2O Halite -1.17 0.40 1.57 NaCl - O2(g) -57.66 -60.56 -2.89 O2 + O2(g) -57.62 -60.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24750,7 +24549,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = 11.510 Adjusted to redox equilibrium + pe = -1.035 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 160869 Density (g/cm³) = 1.08288 Volume (L) = 1.04843 @@ -24758,11 +24557,11 @@ Reaction 1. Activity of water = 0.921 Ionic strength (mol/kgw) = 2.316e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.030e-16 + Total alkalinity (eq/kg) = 1.282e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.866e-09 + Electrical balance (eq) = 9.401e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24777,22 +24576,21 @@ Reaction 1. Cl 2.316e+00 Cl- 2.316e+00 1.344e+00 0.365 0.128 -0.236 19.38 HCl 5.345e-09 5.169e-08 -8.272 -7.287 0.986 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.305 -40.073 0.232 28.61 +H(0) 1.219e-15 + H2 6.093e-16 1.038e-15 -15.215 -14.984 0.232 28.61 Na 2.316e+00 Na+ 2.316e+00 1.992e+00 0.365 0.299 -0.065 0.26 - NaOH 9.756e-18 1.663e-17 -17.011 -16.779 0.232 (0) -O(0) 5.817e-13 - O2 2.909e-13 4.958e-13 -12.536 -12.305 0.232 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.716 -62.484 0.232 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.97 -40.07 -3.10 H2 + H2(g) -11.88 -14.98 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.14 0.43 1.57 NaCl - O2(g) -9.41 -12.30 -2.89 O2 + O2(g) -59.59 -62.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24828,7 +24626,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.915 Adjusted to redox equilibrium + pe = -0.873 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 163241 Density (g/cm³) = 1.08461 Volume (L) = 1.04951 @@ -24836,11 +24634,11 @@ Reaction 1. Activity of water = 0.920 Ionic strength (mol/kgw) = 2.367e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.550e-16 + Total alkalinity (eq/kg) = 1.468e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.698e-10 + Electrical balance (eq) = 2.330e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24855,22 +24653,21 @@ Reaction 1. Cl 2.367e+00 Cl- 2.367e+00 1.373e+00 0.374 0.138 -0.237 19.39 HCl 5.196e-09 5.284e-08 -8.284 -7.277 1.007 (0) -H(0) 6.942e-16 - H2 3.471e-16 5.986e-16 -15.460 -15.223 0.237 28.61 +H(0) 5.707e-16 + H2 2.854e-16 4.921e-16 -15.545 -15.308 0.237 28.61 Na 2.367e+00 Na+ 2.367e+00 2.051e+00 0.374 0.312 -0.062 0.27 - NaOH 9.905e-18 1.708e-17 -17.004 -16.767 0.237 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.244 -62.007 0.237 30.40 + O2 0.000e+00 0.000e+00 -62.074 -61.837 0.237 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.12 -15.22 -3.10 H2 + H2(g) -12.21 -15.31 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.12 0.45 1.57 NaCl - O2(g) -59.11 -62.01 -2.89 O2 + O2(g) -58.94 -61.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24906,7 +24703,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.205 Adjusted to redox equilibrium + pe = 0.184 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 164641 Density (g/cm³) = 1.08565 Volume (L) = 1.05015 @@ -24914,11 +24711,11 @@ Reaction 1. Activity of water = 0.918 Ionic strength (mol/kgw) = 2.397e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.766e-16 + Total alkalinity (eq/kg) = -1.065e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.714e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Electrical balance (eq) = 5.553e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24933,22 +24730,21 @@ Reaction 1. Cl 2.397e+00 Cl- 2.397e+00 1.390e+00 0.380 0.143 -0.237 19.40 HCl 5.109e-09 5.352e-08 -8.292 -7.271 1.020 (0) -H(0) 2.619e-17 - H2 1.309e-17 2.274e-17 -16.883 -16.643 0.240 28.61 +H(0) 4.373e-18 + H2 2.187e-18 3.797e-18 -17.660 -17.421 0.240 28.61 Na 2.397e+00 Na+ 2.397e+00 2.087e+00 0.380 0.319 -0.060 0.28 - NaOH 9.994e-18 1.736e-17 -17.000 -16.761 0.240 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.407 -59.167 0.240 30.40 + O2 0.000e+00 0.000e+00 -57.852 -57.613 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -14.32 -17.42 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.11 0.46 1.57 NaCl - O2(g) -56.27 -59.17 -2.89 O2 + O2(g) -54.72 -57.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24984,7 +24780,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.474 Adjusted to redox equilibrium + pe = -0.594 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 165974 Density (g/cm³) = 1.08664 Volume (L) = 1.05077 @@ -24992,11 +24788,11 @@ Reaction 1. Activity of water = 0.918 Ionic strength (mol/kgw) = 2.426e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.382e-16 + Total alkalinity (eq/kg) = -5.502e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.203e-11 + Electrical balance (eq) = 4.346e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25011,22 +24807,21 @@ Reaction 1. Cl 2.426e+00 Cl- 2.426e+00 1.407e+00 0.385 0.148 -0.237 19.41 HCl 5.025e-09 5.418e-08 -8.299 -7.266 1.033 (0) -H(0) 8.963e-17 - H2 4.482e-17 7.836e-17 -16.349 -16.106 0.243 28.61 +H(0) 1.563e-16 + H2 7.814e-17 1.366e-16 -16.107 -15.864 0.243 28.61 Na 2.426e+00 Na+ 2.426e+00 2.121e+00 0.385 0.327 -0.058 0.29 - NaOH 1.008e-17 1.762e-17 -16.997 -16.754 0.243 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.486 -60.243 0.243 30.40 + O2 0.000e+00 0.000e+00 -60.968 -60.726 0.243 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.00 -16.11 -3.10 H2 + H2(g) -12.76 -15.86 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.10 0.47 1.57 NaCl - O2(g) -57.35 -60.24 -2.89 O2 + O2(g) -57.83 -60.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25062,7 +24857,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.646 Adjusted to redox equilibrium + pe = 11.082 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 168075 Density (g/cm³) = 1.08821 Volume (L) = 1.05177 @@ -25070,11 +24865,11 @@ Reaction 1. Activity of water = 0.916 Ionic strength (mol/kgw) = 2.473e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.584e-16 + Total alkalinity (eq/kg) = -1.554e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.276e-10 + Electrical balance (eq) = 4.233e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25089,22 +24884,21 @@ Reaction 1. Cl 2.473e+00 Cl- 2.473e+00 1.433e+00 0.393 0.156 -0.237 19.42 HCl 4.892e-09 5.523e-08 -8.310 -7.258 1.053 (0) -H(0) 1.961e-16 - H2 9.803e-17 1.733e-16 -16.009 -15.761 0.247 28.61 +H(0) 6.885e-40 + H2 3.443e-40 6.084e-40 -39.463 -39.216 0.247 28.61 Na 2.473e+00 Na+ 2.473e+00 2.178e+00 0.393 0.338 -0.055 0.31 - NaOH 1.021e-17 1.805e-17 -16.991 -16.744 0.247 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.181 -60.934 0.247 30.40 +O(0) 1.069e-14 + O2 5.345e-15 9.447e-15 -14.272 -14.025 0.247 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.66 -15.76 -3.10 H2 + H2(g) -36.11 -39.22 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.08 0.49 1.57 NaCl - O2(g) -58.04 -60.93 -2.89 O2 + O2(g) -11.13 -14.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25140,7 +24934,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -25148,11 +24942,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25167,22 +24961,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25218,7 +25011,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -25226,11 +25019,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25245,22 +25038,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25296,7 +25088,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -25304,11 +25096,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25323,22 +25115,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25374,7 +25165,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.267 Adjusted to redox equilibrium + pe = -0.403 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169867 Density (g/cm³) = 1.08958 Volume (L) = 1.05263 @@ -25382,11 +25173,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.514e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.711e-16 + Total alkalinity (eq/kg) = 5.813e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.488e-12 + Electrical balance (eq) = 3.278e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25401,22 +25192,21 @@ Reaction 1. Cl 2.514e+00 Cl- 2.514e+00 1.457e+00 0.400 0.163 -0.237 19.43 HCl 4.779e-09 5.614e-08 -8.321 -7.251 1.070 (0) -H(0) 2.904e-38 - H2 1.452e-38 2.590e-38 -37.838 -37.587 0.251 28.61 +H(0) 6.349e-17 + H2 3.174e-17 5.663e-17 -16.498 -16.247 0.251 28.61 Na 2.514e+00 Na+ 2.514e+00 2.227e+00 0.400 0.348 -0.053 0.32 - NaOH 1.033e-17 1.842e-17 -16.986 -16.735 0.251 (0) -O(0) 5.827e-18 - O2 2.914e-18 5.198e-18 -17.536 -17.284 0.251 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.215 -59.964 0.251 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.49 -37.59 -3.10 H2 + H2(g) -13.15 -16.25 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -14.39 -17.28 -2.89 O2 + O2(g) -57.07 -59.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25452,7 +25242,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -1.191 Adjusted to redox equilibrium + pe = 0.078 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 178526 Density (g/cm³) = 1.09639 Volume (L) = 1.05699 @@ -25460,11 +25250,11 @@ Reaction 1. Activity of water = 0.908 Ionic strength (mol/kgw) = 2.719e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.178e-17 + Total alkalinity (eq/kg) = -2.135e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.922e-10 + Electrical balance (eq) = 3.750e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25479,22 +25269,21 @@ Reaction 1. Cl 2.719e+00 Cl- 2.719e+00 1.574e+00 0.434 0.197 -0.237 19.48 HCl 4.232e-09 6.076e-08 -8.373 -7.216 1.157 (0) -H(0) 2.290e-15 - H2 1.145e-15 2.141e-15 -14.941 -14.669 0.272 28.61 +H(0) 6.629e-18 + H2 3.314e-18 6.198e-18 -17.480 -17.208 0.272 28.61 Na 2.719e+00 Na+ 2.719e+00 2.485e+00 0.434 0.395 -0.039 0.39 - NaOH 1.089e-17 2.037e-17 -16.963 -16.691 0.272 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.397 -63.125 0.272 30.40 + O2 0.000e+00 0.000e+00 -58.321 -58.049 0.272 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.57 -14.67 -3.10 H2 + H2(g) -14.11 -17.21 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -0.98 0.59 1.57 NaCl - O2(g) -60.23 -63.13 -2.89 O2 + O2(g) -55.16 -58.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25530,7 +25319,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.749 Adjusted to redox equilibrium + pe = -0.691 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 180301 Density (g/cm³) = 1.09784 Volume (L) = 1.05793 @@ -25538,11 +25327,11 @@ Reaction 1. Activity of water = 0.906 Ionic strength (mol/kgw) = 2.762e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.928e-16 + Total alkalinity (eq/kg) = 1.183e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.789e-09 + Electrical balance (eq) = 4.927e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25557,22 +25346,21 @@ Reaction 1. Cl 2.762e+00 Cl- 2.762e+00 1.599e+00 0.441 0.204 -0.237 19.49 HCl 4.120e-09 6.175e-08 -8.385 -7.209 1.176 (0) -H(0) 2.963e-16 - H2 1.482e-16 2.799e-16 -15.829 -15.553 0.276 28.61 +H(0) 2.271e-16 + H2 1.136e-16 2.145e-16 -15.945 -15.669 0.276 28.61 Na 2.762e+00 Na+ 2.762e+00 2.542e+00 0.441 0.405 -0.036 0.41 - NaOH 1.101e-17 2.080e-17 -16.958 -16.682 0.276 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.636 -61.360 0.276 30.40 + O2 0.000e+00 0.000e+00 -61.405 -61.129 0.276 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.45 -15.55 -3.10 H2 + H2(g) -12.57 -15.67 -3.10 H2 H2O(g) -1.55 -0.04 1.50 H2O Halite -0.96 0.61 1.57 NaCl - O2(g) -58.47 -61.36 -2.89 O2 + O2(g) -58.24 -61.13 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25608,7 +25396,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.550 Adjusted to redox equilibrium + pe = -0.974 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 182257 Density (g/cm³) = 1.09946 Volume (L) = 1.05899 @@ -25616,11 +25404,11 @@ Reaction 1. Activity of water = 0.904 Ionic strength (mol/kgw) = 2.812e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.957e-16 + Total alkalinity (eq/kg) = 4.354e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.362e-15 + Electrical balance (eq) = 1.387e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25635,22 +25423,21 @@ Reaction 1. Cl 2.812e+00 Cl- 2.812e+00 1.628e+00 0.449 0.212 -0.237 19.50 HCl 3.997e-09 6.286e-08 -8.398 -7.202 1.197 (0) -H(0) 1.174e-16 - H2 5.869e-17 1.121e-16 -16.231 -15.950 0.281 28.61 +H(0) 8.278e-16 + H2 4.139e-16 7.908e-16 -15.383 -15.102 0.281 28.61 Na 2.812e+00 Na+ 2.812e+00 2.607e+00 0.449 0.416 -0.033 0.42 - NaOH 1.114e-17 2.129e-17 -16.953 -16.672 0.281 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.848 -60.567 0.281 30.40 + O2 0.000e+00 0.000e+00 -62.545 -62.263 0.281 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -12.00 -15.10 -3.10 H2 H2O(g) -1.55 -0.04 1.50 H2O Halite -0.94 0.63 1.57 NaCl - O2(g) -57.67 -60.57 -2.89 O2 + O2(g) -59.37 -62.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25686,7 +25473,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.739 Adjusted to redox equilibrium + pe = -0.809 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 185635 Density (g/cm³) = 1.10231 Volume (L) = 1.06086 @@ -25694,11 +25481,11 @@ Reaction 1. Activity of water = 0.901 Ionic strength (mol/kgw) = 2.899e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.746e-16 + Total alkalinity (eq/kg) = 3.645e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.396e-09 + Electrical balance (eq) = 1.207e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25713,22 +25500,21 @@ Reaction 1. Cl 2.899e+00 Cl- 2.899e+00 1.678e+00 0.462 0.225 -0.237 19.52 HCl 3.786e-09 6.483e-08 -8.422 -7.188 1.234 (0) -H(0) 2.746e-16 - H2 1.373e-16 2.677e-16 -15.862 -15.572 0.290 28.61 +H(0) 3.795e-16 + H2 1.898e-16 3.699e-16 -15.722 -15.432 0.290 28.61 Na 2.899e+00 Na+ 2.899e+00 2.724e+00 0.462 0.435 -0.027 0.45 - NaOH 1.137e-17 2.217e-17 -16.944 -16.654 0.290 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.615 -61.325 0.290 30.40 + O2 0.000e+00 0.000e+00 -61.896 -61.606 0.290 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.47 -15.57 -3.10 H2 + H2(g) -12.33 -15.43 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.91 0.66 1.57 NaCl - O2(g) -58.43 -61.33 -2.89 O2 + O2(g) -58.71 -61.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25764,7 +25550,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.073 Adjusted to redox equilibrium + pe = 0.052 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 186813 Density (g/cm³) = 1.10333 Volume (L) = 1.06153 @@ -25772,11 +25558,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.806e-16 + Total alkalinity (eq/kg) = -1.963e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.509e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Electrical balance (eq) = -4.400e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25791,22 +25577,21 @@ Reaction 1. Cl 2.930e+00 Cl- 2.930e+00 1.696e+00 0.467 0.230 -0.237 19.53 HCl 3.712e-09 6.554e-08 -8.430 -7.184 1.247 (0) -H(0) 1.268e-17 - H2 6.339e-18 1.245e-17 -17.198 -16.905 0.293 28.61 +H(0) 7.129e-18 + H2 3.564e-18 6.997e-18 -17.448 -17.155 0.293 28.61 Na 2.930e+00 Na+ 2.930e+00 2.767e+00 0.467 0.442 -0.025 0.46 - NaOH 1.145e-17 2.249e-17 -16.941 -16.648 0.293 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.954 -58.661 0.293 30.40 + O2 0.000e+00 0.000e+00 -58.454 -58.161 0.293 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -14.05 -17.16 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.90 0.67 1.57 NaCl - O2(g) -55.77 -58.66 -2.89 O2 + O2(g) -55.27 -58.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25842,7 +25627,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.710 Adjusted to redox equilibrium + pe = 10.075 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 187224 Density (g/cm³) = 1.10368 Volume (L) = 1.06177 @@ -25850,11 +25635,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.941e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.598e-17 + Total alkalinity (eq/kg) = 2.478e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.399e-11 + Electrical balance (eq) = 9.025e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 36 + Iterations = 46 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25869,22 +25654,21 @@ Reaction 1. Cl 2.941e+00 Cl- 2.940e+00 1.703e+00 0.468 0.231 -0.237 19.53 HCl 3.687e-09 6.579e-08 -8.433 -7.182 1.251 (0) -H(0) 3.437e-39 - H2 1.719e-39 3.382e-39 -38.765 -38.471 0.294 28.61 +H(0) 6.405e-38 + H2 3.202e-38 6.303e-38 -37.495 -37.200 0.294 28.61 Na 2.941e+00 Na+ 2.941e+00 2.782e+00 0.468 0.444 -0.024 0.46 - NaOH 1.148e-17 2.260e-17 -16.940 -16.646 0.294 (0) -O(0) 2.999e-16 - O2 1.500e-16 2.952e-16 -15.824 -15.530 0.294 30.40 +O(0) 8.638e-19 + O2 4.319e-19 8.500e-19 -18.365 -18.071 0.294 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.37 -38.47 -3.10 H2 + H2(g) -34.10 -37.20 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.89 0.68 1.57 NaCl - O2(g) -12.64 -15.53 -2.89 O2 + O2(g) -15.18 -18.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25920,7 +25704,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 0.328 Adjusted to redox equilibrium + pe = -0.098 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 187634 Density (g/cm³) = 1.10404 Volume (L) = 1.06200 @@ -25928,11 +25712,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.951e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.453e-16 + Total alkalinity (eq/kg) = -2.256e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.691e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 1.591e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25947,22 +25731,21 @@ Reaction 1. Cl 2.951e+00 Cl- 2.951e+00 1.709e+00 0.470 0.233 -0.237 19.54 HCl 3.661e-09 6.604e-08 -8.436 -7.180 1.256 (0) -H(0) 1.996e-18 - H2 9.982e-19 1.970e-18 -18.001 -17.706 0.295 28.61 +H(0) 1.419e-17 + H2 7.094e-18 1.400e-17 -17.149 -16.854 0.295 28.61 Na 2.951e+00 Na+ 2.951e+00 2.797e+00 0.470 0.447 -0.023 0.47 - NaOH 1.151e-17 2.271e-17 -16.939 -16.644 0.295 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.356 -57.061 0.295 30.40 + O2 0.000e+00 0.000e+00 -59.059 -58.764 0.295 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.60 -17.71 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.89 0.68 1.57 NaCl - O2(g) -54.17 -57.06 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25998,7 +25781,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.575 Adjusted to redox equilibrium + pe = -0.894 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 188830 Density (g/cm³) = 1.10508 Volume (L) = 1.06270 @@ -26006,11 +25789,11 @@ Reaction 1. Activity of water = 0.899 Ionic strength (mol/kgw) = 2.984e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.530e-16 + Total alkalinity (eq/kg) = 2.079e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.699e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Electrical balance (eq) = -2.410e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26025,22 +25808,21 @@ Reaction 1. Cl 2.984e+00 Cl- 2.984e+00 1.728e+00 0.475 0.238 -0.237 19.54 HCl 3.587e-09 6.677e-08 -8.445 -7.175 1.270 (0) -H(0) 6.333e-39 - H2 3.167e-39 6.294e-39 -38.499 -38.201 0.298 28.61 +H(0) 5.498e-16 + H2 2.749e-16 5.464e-16 -15.561 -15.262 0.298 28.61 Na 2.984e+00 Na+ 2.984e+00 2.842e+00 0.475 0.454 -0.021 0.48 - NaOH 1.159e-17 2.304e-17 -16.936 -16.637 0.298 (0) -O(0) 8.548e-17 - O2 4.274e-17 8.496e-17 -16.369 -16.071 0.298 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.246 -61.948 0.298 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.10 -38.20 -3.10 H2 + H2(g) -12.16 -15.26 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.88 0.69 1.57 NaCl - O2(g) -13.18 -16.07 -2.89 O2 + O2(g) -59.06 -61.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26076,7 +25858,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -26084,11 +25866,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26103,22 +25885,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26154,7 +25935,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -26162,11 +25943,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26181,22 +25962,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26232,7 +26012,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -26240,11 +26020,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26259,22 +26039,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26310,7 +26089,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -26318,11 +26097,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26337,22 +26116,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26388,7 +26166,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.731 Adjusted to redox equilibrium + pe = -0.383 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 190280 Density (g/cm³) = 1.10636 Volume (L) = 1.06355 @@ -26396,11 +26174,11 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.023e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.317e-16 + Total alkalinity (eq/kg) = 4.687e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.647e-13 + Electrical balance (eq) = 3.690e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 25 + Iterations = 38 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26415,22 +26193,21 @@ Reaction 1. Cl 3.023e+00 Cl- 3.023e+00 1.751e+00 0.480 0.243 -0.237 19.55 HCl 3.498e-09 6.766e-08 -8.456 -7.170 1.287 (0) -H(0) 3.061e-39 - H2 1.531e-39 3.070e-39 -38.815 -38.513 0.302 28.61 +H(0) 5.188e-17 + H2 2.594e-17 5.203e-17 -16.586 -16.284 0.302 28.61 Na 3.023e+00 Na+ 3.023e+00 2.898e+00 0.480 0.462 -0.018 0.49 - NaOH 1.169e-17 2.346e-17 -16.932 -16.630 0.302 (0) -O(0) 3.550e-16 - O2 1.775e-16 3.560e-16 -15.751 -15.449 0.302 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.209 -59.907 0.302 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.41 -38.51 -3.10 H2 + H2(g) -13.18 -16.28 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -12.56 -15.45 -2.89 O2 + O2(g) -57.01 -59.91 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26466,7 +26243,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.468 Adjusted to redox equilibrium + pe = 10.448 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 190295 Density (g/cm³) = 1.10638 Volume (L) = 1.06356 @@ -26474,11 +26251,11 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.023e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.875e-17 + Total alkalinity (eq/kg) = 1.949e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.136e-08 + Electrical balance (eq) = 1.311e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 28 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26493,22 +26270,21 @@ Reaction 1. Cl 3.023e+00 Cl- 3.023e+00 1.751e+00 0.480 0.243 -0.237 19.55 HCl 3.497e-09 6.767e-08 -8.456 -7.170 1.287 (0) -H(0) 7.653e-17 - H2 3.826e-17 7.676e-17 -16.417 -16.115 0.302 28.61 +H(0) 1.127e-38 + H2 5.635e-39 1.130e-38 -38.249 -37.947 0.302 28.61 Na 3.023e+00 Na+ 3.023e+00 2.898e+00 0.480 0.462 -0.018 0.49 - NaOH 1.170e-17 2.346e-17 -16.932 -16.630 0.302 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.547 -60.244 0.302 30.40 +O(0) 2.618e-17 + O2 1.309e-17 2.626e-17 -16.883 -16.581 0.302 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.01 -16.11 -3.10 H2 + H2(g) -34.85 -37.95 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -57.35 -60.24 -2.89 O2 + O2(g) -13.69 -16.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26544,7 +26320,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.609 Adjusted to redox equilibrium + pe = -0.556 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 191257 Density (g/cm³) = 1.10723 Volume (L) = 1.06413 @@ -26552,11 +26328,11 @@ Reaction 1. Activity of water = 0.896 Ionic strength (mol/kgw) = 3.050e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.084e-18 + Total alkalinity (eq/kg) = 7.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.335e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.303e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26571,22 +26347,21 @@ Reaction 1. Cl 3.050e+00 Cl- 3.050e+00 1.767e+00 0.484 0.247 -0.237 19.56 HCl 3.437e-09 6.828e-08 -8.464 -7.166 1.298 (0) -H(0) 1.461e-16 - H2 7.307e-17 1.475e-16 -16.136 -15.831 0.305 28.61 +H(0) 1.141e-16 + H2 5.704e-17 1.151e-16 -16.244 -15.939 0.305 28.61 Na 3.050e+00 Na+ 3.050e+00 2.936e+00 0.484 0.468 -0.017 0.50 - NaOH 1.176e-17 2.374e-17 -16.929 -16.624 0.305 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.118 -60.813 0.305 30.40 + O2 0.000e+00 0.000e+00 -60.902 -60.597 0.305 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -12.84 -15.94 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -57.92 -60.81 -2.89 O2 + O2(g) -57.71 -60.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26622,7 +26397,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.704 Adjusted to redox equilibrium + pe = -0.495 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 192833 Density (g/cm³) = 1.10866 Volume (L) = 1.06509 @@ -26630,11 +26405,11 @@ Reaction 1. Activity of water = 0.895 Ionic strength (mol/kgw) = 3.094e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.201e-16 + Total alkalinity (eq/kg) = -6.188e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.500e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Electrical balance (eq) = 3.340e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26649,22 +26424,21 @@ Reaction 1. Cl 3.094e+00 Cl- 3.094e+00 1.793e+00 0.491 0.253 -0.237 19.57 HCl 3.341e-09 6.928e-08 -8.476 -7.159 1.317 (0) -H(0) 2.235e-16 - H2 1.117e-16 2.278e-16 -15.952 -15.642 0.309 28.61 +H(0) 8.536e-17 + H2 4.268e-17 8.702e-17 -16.370 -16.060 0.309 28.61 Na 3.094e+00 Na+ 3.094e+00 2.999e+00 0.491 0.477 -0.014 0.51 - NaOH 1.187e-17 2.421e-17 -16.925 -16.616 0.309 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.501 -61.192 0.309 30.40 + O2 0.000e+00 0.000e+00 -60.665 -60.356 0.309 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.54 -15.64 -3.10 H2 + H2(g) -12.96 -16.06 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.84 0.73 1.57 NaCl - O2(g) -58.30 -61.19 -2.89 O2 + O2(g) -57.46 -60.36 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26700,7 +26474,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.151 Adjusted to redox equilibrium + pe = -0.011 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 197369 Density (g/cm³) = 1.11286 Volume (L) = 1.06794 @@ -26708,11 +26482,11 @@ Reaction 1. Activity of water = 0.890 Ionic strength (mol/kgw) = 3.225e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.000e-17 + Total alkalinity (eq/kg) = 4.295e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.915e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Electrical balance (eq) = 5.426e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26727,22 +26501,21 @@ Reaction 1. Cl 3.225e+00 Cl- 3.225e+00 1.870e+00 0.509 0.272 -0.237 19.60 HCl 3.065e-09 7.228e-08 -8.514 -7.141 1.373 (0) -H(0) 1.702e-17 - H2 8.509e-18 1.788e-17 -17.070 -16.748 0.322 28.61 +H(0) 8.909e-18 + H2 4.455e-18 9.361e-18 -17.351 -17.029 0.322 28.61 Na 3.225e+00 Na+ 3.225e+00 3.192e+00 0.509 0.504 -0.004 0.55 - NaOH 1.220e-17 2.564e-17 -16.914 -16.591 0.322 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.308 -58.986 0.322 30.40 + O2 0.000e+00 0.000e+00 -58.746 -58.423 0.322 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.93 -17.03 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.79 0.78 1.57 NaCl - O2(g) -56.09 -58.99 -2.89 O2 + O2(g) -55.53 -58.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26778,7 +26551,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.514 Adjusted to redox equilibrium + pe = -0.497 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 198476 Density (g/cm³) = 1.11392 Volume (L) = 1.06866 @@ -26786,11 +26559,11 @@ Reaction 1. Activity of water = 0.889 Ionic strength (mol/kgw) = 3.258e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.652e-17 + Total alkalinity (eq/kg) = 2.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.412e-12 + Electrical balance (eq) = 7.748e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26805,22 +26578,21 @@ Reaction 1. Cl 3.258e+00 Cl- 3.258e+00 1.889e+00 0.513 0.276 -0.237 19.61 HCl 2.999e-09 7.303e-08 -8.523 -7.136 1.387 (0) -H(0) 8.981e-17 - H2 4.490e-17 9.508e-17 -16.348 -16.022 0.326 28.61 +H(0) 8.309e-17 + H2 4.155e-17 8.797e-17 -16.381 -16.056 0.326 28.61 Na 3.258e+00 Na+ 3.258e+00 3.242e+00 0.513 0.511 -0.002 0.56 - NaOH 1.228e-17 2.600e-17 -16.911 -16.585 0.326 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.764 -60.438 0.326 30.40 + O2 0.000e+00 0.000e+00 -60.696 -60.371 0.326 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.92 -16.02 -3.10 H2 + H2(g) -12.95 -16.06 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.78 0.79 1.57 NaCl - O2(g) -57.55 -60.44 -2.89 O2 + O2(g) -57.48 -60.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26856,7 +26628,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.591 Adjusted to redox equilibrium + pe = -1.189 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 204085 Density (g/cm³) = 1.11945 Volume (L) = 1.07248 @@ -26864,11 +26636,11 @@ Reaction 1. Activity of water = 0.883 Ionic strength (mol/kgw) = 3.432e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.530e-17 + Total alkalinity (eq/kg) = 2.625e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.524e-16 + Electrical balance (eq) = 1.152e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 45 + Iterations = 37 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26883,22 +26655,21 @@ Reaction 1. Cl 3.432e+00 Cl- 3.432e+00 1.993e+00 0.536 0.299 -0.236 19.64 HCl 2.667e-09 7.703e-08 -8.574 -7.113 1.461 (0) -H(0) 1.232e-16 - H2 6.159e-17 1.357e-16 -16.211 -15.867 0.343 28.61 +H(0) 1.929e-15 + H2 9.646e-16 2.126e-15 -15.016 -14.672 0.343 28.61 Na 3.432e+00 Na+ 3.432e+00 3.513e+00 0.536 0.546 0.010 0.61 - NaOH 1.270e-17 2.799e-17 -16.896 -16.553 0.343 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.096 -60.753 0.343 30.40 + O2 0.000e+00 0.000e+00 -63.486 -63.143 0.343 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.77 -15.87 -3.10 H2 + H2(g) -11.57 -14.67 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.72 0.85 1.57 NaCl - O2(g) -57.86 -60.75 -2.89 O2 + O2(g) -60.25 -63.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26928,13 +26699,13 @@ Reaction 1. Elements Molality Moles - Cl 3.487e+00 3.487e+00 + Cl 3.487e+00 3.486e+00 Na 3.487e+00 3.487e+00 ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.455 Adjusted to redox equilibrium + pe = -0.870 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 205758 Density (g/cm³) = 1.12116 Volume (L) = 1.07367 @@ -26942,11 +26713,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.463e-16 + Total alkalinity (eq/kg) = 2.669e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.126e-10 + Electrical balance (eq) = 3.864e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 32 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26961,22 +26732,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 2.025e+00 0.542 0.307 -0.236 19.65 HCl 2.569e-09 7.828e-08 -8.590 -7.106 1.484 (0) -H(0) 6.482e-17 - H2 3.241e-17 7.233e-17 -16.489 -16.141 0.349 28.61 +H(0) 4.393e-16 + H2 2.197e-16 4.902e-16 -15.658 -15.310 0.349 28.61 Na 3.487e+00 Na+ 3.487e+00 3.601e+00 0.542 0.556 0.014 0.63 - NaOH 1.283e-17 2.863e-17 -16.892 -16.543 0.349 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.557 -60.208 0.349 30.40 + O2 0.000e+00 0.000e+00 -62.219 -61.870 0.349 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.04 -16.14 -3.10 H2 + H2(g) -12.21 -15.31 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.71 0.86 1.57 NaCl - O2(g) -57.32 -60.21 -2.89 O2 + O2(g) -58.98 -61.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27012,7 +26782,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.822 Adjusted to redox equilibrium + pe = -0.840 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 205776 Density (g/cm³) = 1.12118 Volume (L) = 1.07369 @@ -27020,11 +26790,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.428e-17 + Total alkalinity (eq/kg) = 3.009e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.119e-13 + Electrical balance (eq) = 1.190e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 46 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27039,22 +26809,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 2.026e+00 0.542 0.307 -0.236 19.65 HCl 2.568e-09 7.830e-08 -8.590 -7.106 1.484 (0) -H(0) 1.816e-39 - H2 9.080e-40 2.027e-39 -39.042 -38.693 0.349 28.61 +H(0) 3.817e-16 + H2 1.908e-16 4.260e-16 -15.719 -15.371 0.349 28.61 Na 3.487e+00 Na+ 3.487e+00 3.602e+00 0.542 0.557 0.014 0.63 - NaOH 1.283e-17 2.864e-17 -16.892 -16.543 0.349 (0) -O(0) 7.065e-16 - O2 3.533e-16 7.885e-16 -15.452 -15.103 0.349 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.097 -61.748 0.349 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.59 -38.69 -3.10 H2 + H2(g) -12.27 -15.37 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.71 0.86 1.57 NaCl - O2(g) -12.21 -15.10 -2.89 O2 + O2(g) -58.86 -61.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27090,7 +26859,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -1.000 Adjusted to redox equilibrium + pe = -0.525 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 206168 Density (g/cm³) = 1.12159 Volume (L) = 1.07397 @@ -27098,11 +26867,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.962e-16 + Total alkalinity (eq/kg) = -5.922e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.786e-11 + Electrical balance (eq) = -4.197e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 63 + Iterations = 49 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27117,22 +26886,21 @@ Reaction 1. Cl 3.500e+00 Cl- 3.500e+00 2.033e+00 0.544 0.308 -0.236 19.66 HCl 2.546e-09 7.859e-08 -8.594 -7.105 1.490 (0) -H(0) 7.970e-16 - H2 3.985e-16 8.922e-16 -15.400 -15.050 0.350 28.61 +H(0) 8.929e-17 + H2 4.464e-17 9.994e-17 -16.350 -16.000 0.350 28.61 Na 3.500e+00 Na+ 3.500e+00 3.623e+00 0.544 0.559 0.015 0.63 - NaOH 1.286e-17 2.879e-17 -16.891 -16.541 0.350 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.741 -62.391 0.350 30.40 + O2 0.000e+00 0.000e+00 -60.840 -60.490 0.350 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.95 -15.05 -3.10 H2 + H2(g) -12.90 -16.00 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.70 0.87 1.57 NaCl - O2(g) -59.50 -62.39 -2.89 O2 + O2(g) -57.60 -60.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27168,7 +26936,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.650 Adjusted to redox equilibrium + pe = 11.037 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 207204 Density (g/cm³) = 1.12267 Volume (L) = 1.07473 @@ -27176,11 +26944,11 @@ Reaction 1. Activity of water = 0.880 Ionic strength (mol/kgw) = 3.535e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.066e-16 + Total alkalinity (eq/kg) = 1.952e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.491e-13 + Electrical balance (eq) = 2.684e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27195,22 +26963,21 @@ Reaction 1. Cl 3.535e+00 Cl- 3.535e+00 2.054e+00 0.548 0.313 -0.236 19.66 HCl 2.486e-09 7.939e-08 -8.605 -7.100 1.504 (0) -H(0) 1.575e-16 - H2 7.877e-17 1.778e-16 -16.104 -15.750 0.353 28.61 +H(0) 6.657e-40 + H2 3.329e-40 7.511e-40 -39.478 -39.124 0.353 28.61 Na 3.535e+00 Na+ 3.535e+00 3.679e+00 0.548 0.566 0.017 0.64 - NaOH 1.294e-17 2.920e-17 -16.888 -16.535 0.353 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.344 -60.991 0.353 30.40 +O(0) 5.069e-15 + O2 2.535e-15 5.720e-15 -14.596 -14.243 0.353 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.65 -15.75 -3.10 H2 + H2(g) -36.02 -39.12 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.69 0.88 1.57 NaCl - O2(g) -58.10 -60.99 -2.89 O2 + O2(g) -11.35 -14.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27246,7 +27013,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 0.721 Adjusted to redox equilibrium + pe = 11.158 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 207360 Density (g/cm³) = 1.12283 Volume (L) = 1.07485 @@ -27254,11 +27021,11 @@ Reaction 1. Activity of water = 0.880 Ionic strength (mol/kgw) = 3.540e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.214e-16 + Total alkalinity (eq/kg) = -1.231e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.264e-12 + Electrical balance (eq) = -5.416e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27273,22 +27040,21 @@ Reaction 1. Cl 3.540e+00 Cl- 3.540e+00 2.057e+00 0.549 0.313 -0.236 19.67 HCl 2.477e-09 7.951e-08 -8.606 -7.100 1.507 (0) -H(0) 2.856e-19 - H2 1.428e-19 3.226e-19 -18.845 -18.491 0.354 28.61 +H(0) 3.819e-40 + H2 1.910e-40 4.314e-40 -39.719 -39.365 0.354 28.61 Na 3.540e+00 Na+ 3.540e+00 3.688e+00 0.549 0.567 0.018 0.64 - NaOH 1.295e-17 2.927e-17 -16.888 -16.534 0.354 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.863 -55.509 0.354 30.40 +O(0) 1.534e-14 + O2 7.671e-15 1.733e-14 -14.115 -13.761 0.354 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.39 -18.49 -3.10 H2 + H2(g) -36.26 -39.37 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.69 0.88 1.57 NaCl - O2(g) -52.62 -55.51 -2.89 O2 + O2(g) -10.87 -13.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27324,7 +27090,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.878 Adjusted to redox equilibrium + pe = 10.546 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 210855 Density (g/cm³) = 1.12659 Volume (L) = 1.07751 @@ -27332,11 +27098,11 @@ Reaction 1. Activity of water = 0.876 Ionic strength (mol/kgw) = 3.660e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.206e-16 + Total alkalinity (eq/kg) = 5.365e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.105e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Electrical balance (eq) = -2.237e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27351,22 +27117,21 @@ Reaction 1. Cl 3.660e+00 Cl- 3.660e+00 2.130e+00 0.564 0.328 -0.235 19.69 HCl 2.278e-09 8.229e-08 -8.642 -7.085 1.558 (0) -H(0) 4.364e-16 - H2 2.182e-16 5.069e-16 -15.661 -15.295 0.366 28.61 +H(0) 6.204e-39 + H2 3.102e-39 7.206e-39 -38.508 -38.142 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.564 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.271 -61.905 0.366 30.40 +O(0) 5.299e-17 + O2 2.650e-17 6.155e-17 -16.577 -16.211 0.366 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.19 -15.30 -3.10 H2 + H2(g) -35.04 -38.14 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -59.01 -61.91 -2.89 O2 + O2(g) -13.32 -16.21 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27402,7 +27167,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.830 Adjusted to redox equilibrium + pe = -0.021 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 211234 Density (g/cm³) = 1.12701 Volume (L) = 1.07780 @@ -27410,11 +27175,11 @@ Reaction 1. Activity of water = 0.875 Ionic strength (mol/kgw) = 3.674e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.833e-16 + Total alkalinity (eq/kg) = -1.005e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.874e-11 + Electrical balance (eq) = 1.366e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27429,22 +27194,21 @@ Reaction 1. Cl 3.674e+00 Cl- 3.674e+00 2.138e+00 0.565 0.330 -0.235 19.69 HCl 2.257e-09 8.260e-08 -8.646 -7.083 1.563 (0) -H(0) 1.676e-39 - H2 8.378e-40 1.952e-39 -39.077 -38.709 0.367 28.61 +H(0) 8.406e-18 + H2 4.203e-18 9.793e-18 -17.376 -17.009 0.367 28.61 Na 3.674e+00 Na+ 3.674e+00 3.912e+00 0.565 0.592 0.027 0.68 - NaOH 1.326e-17 3.090e-17 -16.877 -16.510 0.367 (0) -O(0) 7.190e-16 - O2 3.595e-16 8.377e-16 -15.444 -15.077 0.367 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -58.845 -58.478 0.367 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.61 -38.71 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -12.18 -15.08 -2.89 O2 + O2(g) -55.59 -58.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27480,7 +27244,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.639 Adjusted to redox equilibrium + pe = -0.755 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 211450 Density (g/cm³) = 1.12725 Volume (L) = 1.07797 @@ -27488,11 +27252,11 @@ Reaction 1. Activity of water = 0.875 Ionic strength (mol/kgw) = 3.681e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.343e-16 + Total alkalinity (eq/kg) = -1.206e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.192e-13 + Electrical balance (eq) = 2.303e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27507,22 +27271,21 @@ Reaction 1. Cl 3.681e+00 Cl- 3.681e+00 2.143e+00 0.566 0.331 -0.235 19.69 HCl 2.245e-09 8.278e-08 -8.649 -7.082 1.567 (0) -H(0) 4.025e-39 - H2 2.013e-39 4.698e-39 -38.696 -38.328 0.368 28.61 +H(0) 2.473e-16 + H2 1.237e-16 2.887e-16 -15.908 -15.540 0.368 28.61 Na 3.681e+00 Na+ 3.681e+00 3.925e+00 0.566 0.594 0.028 0.68 - NaOH 1.328e-17 3.099e-17 -16.877 -16.509 0.368 (0) -O(0) 1.239e-16 - O2 6.194e-17 1.446e-16 -16.208 -15.840 0.368 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.785 -61.417 0.368 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.23 -38.33 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -12.95 -15.84 -2.89 O2 + O2(g) -58.52 -61.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27558,7 +27321,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.789 Adjusted to redox equilibrium + pe = -0.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 218432 Density (g/cm³) = 1.13536 Volume (L) = 1.08383 @@ -27566,11 +27329,11 @@ Reaction 1. Activity of water = 0.866 Ionic strength (mol/kgw) = 3.945e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.922e-17 + Total alkalinity (eq/kg) = 5.841e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.951e-15 + Electrical balance (eq) = 1.318e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 + Iterations = 73 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27585,22 +27348,21 @@ Reaction 1. Cl 3.945e+00 Cl- 3.945e+00 2.303e+00 0.596 0.362 -0.234 19.75 HCl 1.862e-09 8.889e-08 -8.730 -7.051 1.679 (0) -H(0) 1.889e-39 - H2 9.447e-40 2.343e-39 -39.025 -38.630 0.394 28.61 +H(0) 8.702e-17 + H2 4.351e-17 1.079e-16 -16.361 -15.967 0.394 28.61 Na 3.945e+00 Na+ 3.945e+00 4.394e+00 0.596 0.643 0.047 0.75 - NaOH 1.386e-17 3.437e-17 -16.858 -16.464 0.394 (0) -O(0) 4.591e-16 - O2 2.296e-16 5.693e-16 -15.639 -15.245 0.394 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.966 -60.571 0.394 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.53 -38.63 -3.10 H2 + H2(g) -12.87 -15.97 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.56 1.01 1.57 NaCl - O2(g) -12.35 -15.24 -2.89 O2 + O2(g) -57.68 -60.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27636,7 +27398,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.590 Adjusted to redox equilibrium + pe = 10.752 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219487 Density (g/cm³) = 1.13666 Volume (L) = 1.08478 @@ -27644,11 +27406,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 3.987e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.040e-17 + Total alkalinity (eq/kg) = -1.191e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.757e-08 + Electrical balance (eq) = 5.269e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27663,22 +27425,21 @@ Reaction 1. Cl 3.987e+00 Cl- 3.987e+00 2.329e+00 0.601 0.367 -0.233 19.76 HCl 1.806e-09 8.988e-08 -8.743 -7.046 1.697 (0) -H(0) 4.692e-39 - H2 2.346e-39 5.876e-39 -38.630 -38.231 0.399 28.61 +H(0) 2.219e-39 + H2 1.109e-39 2.779e-39 -38.955 -38.556 0.399 28.61 Na 3.987e+00 Na+ 3.987e+00 4.473e+00 0.601 0.651 0.050 0.76 - NaOH 1.395e-17 3.494e-17 -16.855 -16.457 0.399 (0) -O(0) 7.205e-17 - O2 3.603e-17 9.023e-17 -16.443 -16.045 0.399 30.40 +O(0) 3.222e-16 + O2 1.611e-16 4.035e-16 -15.793 -15.394 0.399 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.13 -38.23 -3.10 H2 + H2(g) -35.46 -38.56 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -13.15 -16.04 -2.89 O2 + O2(g) -12.50 -15.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27714,7 +27475,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 11.491 Adjusted to redox equilibrium + pe = 10.738 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219798 Density (g/cm³) = 1.13705 Volume (L) = 1.08507 @@ -27722,11 +27483,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.620e-16 + Total alkalinity (eq/kg) = -3.094e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.652e-11 + Electrical balance (eq) = 2.407e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27741,22 +27502,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.337e+00 0.602 0.369 -0.233 19.76 HCl 1.789e-09 9.018e-08 -8.747 -7.045 1.702 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.434 -40.034 0.400 28.61 +H(0) 2.368e-39 + H2 1.184e-39 2.974e-39 -38.927 -38.527 0.400 28.61 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 1.398e-17 3.511e-17 -16.855 -16.455 0.400 (0) -O(0) 2.893e-13 - O2 1.446e-13 3.633e-13 -12.840 -12.440 0.400 30.40 +O(0) 2.802e-16 + O2 1.401e-16 3.519e-16 -15.854 -15.454 0.400 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.93 -40.03 -3.10 H2 + H2(g) -35.43 -38.53 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -9.55 -12.44 -2.89 O2 + O2(g) -12.56 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27792,7 +27552,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 11.491 Adjusted to redox equilibrium + pe = 10.738 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219798 Density (g/cm³) = 1.13705 Volume (L) = 1.08507 @@ -27800,11 +27560,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.620e-16 + Total alkalinity (eq/kg) = -3.094e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.652e-11 + Electrical balance (eq) = 2.407e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27819,22 +27579,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.337e+00 0.602 0.369 -0.233 19.76 HCl 1.789e-09 9.018e-08 -8.747 -7.045 1.702 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.434 -40.034 0.400 28.61 +H(0) 2.368e-39 + H2 1.184e-39 2.974e-39 -38.927 -38.527 0.400 28.61 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 1.398e-17 3.511e-17 -16.855 -16.455 0.400 (0) -O(0) 2.893e-13 - O2 1.446e-13 3.633e-13 -12.840 -12.440 0.400 30.40 +O(0) 2.802e-16 + O2 1.401e-16 3.519e-16 -15.854 -15.454 0.400 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.93 -40.03 -3.10 H2 + H2(g) -35.43 -38.53 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -9.55 -12.44 -2.89 O2 + O2(g) -12.56 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27870,7 +27629,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.146 Adjusted to redox equilibrium + pe = 10.622 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 221017 Density (g/cm³) = 1.13858 Volume (L) = 1.08620 @@ -27878,11 +27637,11 @@ Reaction 1. Activity of water = 0.862 Ionic strength (mol/kgw) = 4.051e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.369e-17 + Total alkalinity (eq/kg) = -1.851e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.734e-09 + Electrical balance (eq) = 6.474e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 74 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27897,22 +27656,21 @@ Reaction 1. Cl 4.051e+00 Cl- 4.051e+00 2.368e+00 0.608 0.374 -0.233 19.77 HCl 1.725e-09 9.136e-08 -8.763 -7.039 1.724 (0) -H(0) 3.566e-38 - H2 1.783e-38 4.531e-38 -37.749 -37.344 0.405 28.61 +H(0) 3.980e-39 + H2 1.990e-39 5.057e-39 -38.701 -38.296 0.405 28.61 Na 4.051e+00 Na+ 4.051e+00 4.592e+00 0.608 0.662 0.055 0.78 - NaOH 1.409e-17 3.580e-17 -16.851 -16.446 0.405 (0) -O(0) 1.188e-18 - O2 5.940e-19 1.509e-18 -18.226 -17.821 0.405 30.40 +O(0) 9.537e-17 + O2 4.769e-17 1.212e-16 -16.322 -15.917 0.405 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.24 -37.34 -3.10 H2 + H2(g) -35.19 -38.30 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.53 1.04 1.57 NaCl - O2(g) -14.93 -17.82 -2.89 O2 + O2(g) -13.02 -15.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27948,7 +27706,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -1.319 Adjusted to redox equilibrium + pe = 10.630 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 224855 Density (g/cm³) = 1.14363 Volume (L) = 1.08996 @@ -27956,11 +27714,11 @@ Reaction 1. Activity of water = 0.857 Ionic strength (mol/kgw) = 4.218e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.453e-16 + Total alkalinity (eq/kg) = -1.940e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.772e-11 + Electrical balance (eq) = 1.230e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27975,22 +27733,21 @@ Reaction 1. Cl 4.218e+00 Cl- 4.218e+00 2.472e+00 0.625 0.393 -0.232 19.80 HCl 1.527e-09 9.526e-08 -8.816 -7.021 1.795 (0) -H(0) 2.909e-15 - H2 1.454e-15 3.841e-15 -14.837 -14.416 0.422 28.61 +H(0) 3.694e-39 + H2 1.847e-39 4.879e-39 -38.733 -38.312 0.422 28.61 Na 4.218e+00 Na+ 4.218e+00 4.918e+00 0.625 0.692 0.067 0.83 - NaOH 1.443e-17 3.812e-17 -16.841 -16.419 0.422 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.105 -63.683 0.422 30.40 +O(0) 9.732e-17 + O2 4.866e-17 1.285e-16 -16.313 -15.891 0.422 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.31 -14.42 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.49 1.08 1.57 NaCl - O2(g) -60.79 -63.68 -2.89 O2 + O2(g) -13.00 -15.89 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28026,7 +27783,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.860 Adjusted to redox equilibrium + pe = 10.677 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 227465 Density (g/cm³) = 1.14727 Volume (L) = 1.09270 @@ -28034,11 +27791,11 @@ Reaction 1. Activity of water = 0.852 Ionic strength (mol/kgw) = 4.340e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.499e-16 + Total alkalinity (eq/kg) = -4.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.700e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 54 + Electrical balance (eq) = -4.240e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28053,22 +27810,21 @@ Reaction 1. Cl 4.340e+00 Cl- 4.340e+00 2.548e+00 0.637 0.406 -0.231 19.82 HCl 1.396e-09 9.812e-08 -8.855 -7.008 1.847 (0) -H(0) 3.417e-16 - H2 1.709e-16 4.641e-16 -15.767 -15.333 0.434 28.61 +H(0) 2.885e-39 + H2 1.443e-39 3.919e-39 -38.841 -38.407 0.434 28.61 Na 4.340e+00 Na+ 4.340e+00 5.166e+00 0.637 0.713 0.076 0.86 - NaOH 1.468e-17 3.988e-17 -16.833 -16.399 0.434 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.286 -61.852 0.434 30.40 +O(0) 1.452e-16 + O2 7.262e-17 1.973e-16 -16.139 -15.705 0.434 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -35.31 -38.41 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.45 1.12 1.57 NaCl - O2(g) -58.96 -61.85 -2.89 O2 + O2(g) -12.81 -15.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28104,7 +27860,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.293 Adjusted to redox equilibrium + pe = 11.613 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 229645 Density (g/cm³) = 1.15046 Volume (L) = 1.09514 @@ -28112,11 +27868,11 @@ Reaction 1. Activity of water = 0.849 Ionic strength (mol/kgw) = 4.447e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.179e-16 + Total alkalinity (eq/kg) = 7.426e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.261e-15 + Electrical balance (eq) = 1.913e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28131,22 +27887,21 @@ Reaction 1. Cl 4.447e+00 Cl- 4.447e+00 2.616e+00 0.648 0.418 -0.230 19.84 HCl 1.288e-09 1.006e-07 -8.890 -6.997 1.893 (0) -H(0) 2.443e-15 - H2 1.222e-15 3.402e-15 -14.913 -14.468 0.445 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.725 -40.281 0.445 28.61 Na 4.447e+00 Na+ 4.447e+00 5.391e+00 0.648 0.732 0.084 0.88 - NaOH 1.490e-17 4.147e-17 -16.827 -16.382 0.445 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.030 -63.586 0.445 30.40 +O(0) 7.856e-13 + O2 3.928e-13 1.094e-12 -12.406 -11.961 0.445 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.37 -14.47 -3.10 H2 + H2(g) -37.18 -40.28 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.42 1.15 1.57 NaCl - O2(g) -60.69 -63.59 -2.89 O2 + O2(g) -9.07 -11.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28182,7 +27937,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.159 Adjusted to redox equilibrium + pe = 10.009 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 230671 Density (g/cm³) = 1.15201 Volume (L) = 1.09633 @@ -28190,11 +27945,11 @@ Reaction 1. Activity of water = 0.847 Ionic strength (mol/kgw) = 4.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.461e-16 + Total alkalinity (eq/kg) = 2.516e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.158e-09 + Electrical balance (eq) = 9.316e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28209,22 +27964,21 @@ Reaction 1. Cl 4.500e+00 Cl- 4.500e+00 2.650e+00 0.653 0.423 -0.230 19.85 HCl 1.239e-09 1.019e-07 -8.907 -6.992 1.915 (0) -H(0) 1.300e-15 - H2 6.502e-16 1.833e-15 -15.187 -14.737 0.450 28.61 +H(0) 5.994e-38 + H2 2.997e-38 8.446e-38 -37.523 -37.073 0.450 28.61 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 1.500e-17 4.227e-17 -16.824 -16.374 0.450 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.050 0.450 30.40 +O(0) 2.975e-19 + O2 1.487e-19 4.192e-19 -18.828 -18.378 0.450 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -33.97 -37.07 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.41 1.16 1.57 NaCl - O2(g) -60.16 -63.05 -2.89 O2 + O2(g) -15.49 -18.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28260,7 +28014,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.159 Adjusted to redox equilibrium + pe = 10.009 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 230671 Density (g/cm³) = 1.15201 Volume (L) = 1.09633 @@ -28268,11 +28022,11 @@ Reaction 1. Activity of water = 0.847 Ionic strength (mol/kgw) = 4.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.461e-16 + Total alkalinity (eq/kg) = 2.516e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.158e-09 + Electrical balance (eq) = 9.316e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28287,22 +28041,21 @@ Reaction 1. Cl 4.500e+00 Cl- 4.500e+00 2.650e+00 0.653 0.423 -0.230 19.85 HCl 1.239e-09 1.019e-07 -8.907 -6.992 1.915 (0) -H(0) 1.300e-15 - H2 6.502e-16 1.833e-15 -15.187 -14.737 0.450 28.61 +H(0) 5.994e-38 + H2 2.997e-38 8.446e-38 -37.523 -37.073 0.450 28.61 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 1.500e-17 4.227e-17 -16.824 -16.374 0.450 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.050 0.450 30.40 +O(0) 2.975e-19 + O2 1.487e-19 4.192e-19 -18.828 -18.378 0.450 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -33.97 -37.07 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.41 1.16 1.57 NaCl - O2(g) -60.16 -63.05 -2.89 O2 + O2(g) -15.49 -18.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28338,7 +28091,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.776 Adjusted to redox equilibrium + pe = -0.710 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 232171 Density (g/cm³) = 1.15436 Volume (L) = 1.09815 @@ -28346,11 +28099,11 @@ Reaction 1. Activity of water = 0.844 Ionic strength (mol/kgw) = 4.580e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.735e-17 + Total alkalinity (eq/kg) = -6.846e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.217e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Electrical balance (eq) = -1.250e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28365,22 +28118,21 @@ Reaction 1. Cl 4.580e+00 Cl- 4.580e+00 2.700e+00 0.661 0.431 -0.229 19.86 HCl 1.167e-09 1.038e-07 -8.933 -6.984 1.949 (0) -H(0) 2.187e-16 - H2 1.093e-16 3.139e-16 -15.961 -15.503 0.458 28.61 +H(0) 1.616e-16 + H2 8.081e-17 2.320e-16 -16.093 -15.635 0.458 28.61 Na 4.580e+00 Na+ 4.580e+00 5.678e+00 0.661 0.754 0.093 0.92 - NaOH 1.515e-17 4.350e-17 -16.820 -16.362 0.458 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.979 -61.521 0.458 30.40 + O2 0.000e+00 0.000e+00 -61.716 -61.258 0.458 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.40 -15.50 -3.10 H2 + H2(g) -12.53 -15.63 -3.10 H2 H2O(g) -1.58 -0.07 1.50 H2O Halite -0.38 1.19 1.57 NaCl - O2(g) -58.63 -61.52 -2.89 O2 + O2(g) -58.37 -61.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28416,7 +28168,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = 10.911 Adjusted to redox equilibrium + pe = 11.159 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 233208 Density (g/cm³) = 1.15603 Volume (L) = 1.09944 @@ -28424,11 +28176,11 @@ Reaction 1. Activity of water = 0.842 Ionic strength (mol/kgw) = 4.637e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.402e-16 + Total alkalinity (eq/kg) = -3.846e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.673e-15 + Electrical balance (eq) = 7.990e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 38 + Iterations = 62 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28443,22 +28195,21 @@ Reaction 1. Cl 4.637e+00 Cl- 4.637e+00 2.737e+00 0.666 0.437 -0.229 19.87 HCl 1.117e-09 1.051e-07 -8.952 -6.978 1.973 (0) -H(0) 9.118e-40 - H2 4.559e-40 1.326e-39 -39.341 -38.877 0.464 28.61 +H(0) 2.905e-40 + H2 1.453e-40 4.225e-40 -39.838 -39.374 0.464 28.61 Na 4.637e+00 Na+ 4.637e+00 5.805e+00 0.666 0.764 0.098 0.93 - NaOH 1.526e-17 4.439e-17 -16.816 -16.353 0.464 (0) -O(0) 1.157e-15 - O2 5.783e-16 1.682e-15 -15.238 -14.774 0.464 30.40 +O(0) 1.139e-14 + O2 5.697e-15 1.657e-14 -14.244 -13.781 0.464 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -36.27 -39.37 -3.10 H2 H2O(g) -1.58 -0.07 1.50 H2O Halite -0.37 1.20 1.57 NaCl - O2(g) -11.88 -14.77 -2.89 O2 + O2(g) -10.89 -13.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28494,7 +28245,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 0.588 Adjusted to redox equilibrium + pe = 10.625 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238047 Density (g/cm³) = 1.16448 Volume (L) = 1.10612 @@ -28502,11 +28253,11 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.929e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.484e-16 + Total alkalinity (eq/kg) = 6.623e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.166e-08 + Electrical balance (eq) = 1.264e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28521,22 +28272,21 @@ Reaction 1. Cl 4.929e+00 Cl- 4.929e+00 2.925e+00 0.693 0.466 -0.227 19.92 HCl 8.946e-10 1.120e-07 -9.048 -6.951 2.098 (0) -H(0) 3.744e-19 - H2 1.872e-19 5.824e-19 -18.728 -18.235 0.493 28.61 +H(0) 3.158e-39 + H2 1.579e-39 4.912e-39 -38.802 -38.309 0.493 28.61 Na 4.929e+00 Na+ 4.929e+00 6.488e+00 0.693 0.812 0.119 1.00 - NaOH 1.580e-17 4.916e-17 -16.801 -16.308 0.493 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.563 -56.070 0.493 30.40 +O(0) 7.698e-17 + O2 3.849e-17 1.197e-16 -16.415 -15.922 0.493 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.13 -18.23 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.29 1.28 1.57 NaCl - O2(g) -53.18 -56.07 -2.89 O2 + O2(g) -13.03 -15.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28572,7 +28322,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.911 Adjusted to redox equilibrium + pe = 10.492 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238070 Density (g/cm³) = 1.16452 Volume (L) = 1.10616 @@ -28580,11 +28330,11 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.246e-16 + Total alkalinity (eq/kg) = 1.255e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.243e-10 + Electrical balance (eq) = 2.385e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28599,22 +28349,21 @@ Reaction 1. Cl 4.930e+00 Cl- 4.930e+00 2.926e+00 0.693 0.466 -0.227 19.93 HCl 8.936e-10 1.121e-07 -9.049 -6.951 2.098 (0) -H(0) 3.739e-16 - H2 1.869e-16 5.817e-16 -15.728 -15.235 0.493 28.61 +H(0) 5.844e-39 + H2 2.922e-39 9.093e-39 -38.534 -38.041 0.493 28.61 Na 4.930e+00 Na+ 4.930e+00 6.491e+00 0.693 0.812 0.119 1.00 - NaOH 1.580e-17 4.918e-17 -16.801 -16.308 0.493 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.562 -62.069 0.493 30.40 +O(0) 2.245e-17 + O2 1.122e-17 3.493e-17 -16.950 -16.457 0.493 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.13 -15.24 -3.10 H2 + H2(g) -34.94 -38.04 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.29 1.28 1.57 NaCl - O2(g) -59.18 -62.07 -2.89 O2 + O2(g) -13.56 -16.46 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28650,7 +28399,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 11.170 Adjusted to redox equilibrium + pe = 10.787 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238980 Density (g/cm³) = 1.16626 Volume (L) = 1.10755 @@ -28658,11 +28407,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 4.991e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.407e-16 + Total alkalinity (eq/kg) = 2.391e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.494e-11 + Electrical balance (eq) = 3.637e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 37 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28677,22 +28426,21 @@ Reaction 1. Cl 4.991e+00 Cl- 4.991e+00 2.965e+00 0.698 0.472 -0.226 19.94 HCl 8.528e-10 1.135e-07 -9.069 -6.945 2.124 (0) -H(0) 2.527e-40 - H2 1.263e-40 3.987e-40 -39.898 -39.399 0.499 28.61 +H(0) 1.478e-39 + H2 7.390e-40 2.332e-39 -39.131 -38.632 0.499 28.61 Na 4.991e+00 Na+ 4.991e+00 6.640e+00 0.698 0.822 0.124 1.02 - NaOH 1.591e-17 5.022e-17 -16.798 -16.299 0.499 (0) -O(0) 1.146e-14 - O2 5.729e-15 1.808e-14 -14.242 -13.743 0.499 30.40 +O(0) 3.349e-16 + O2 1.675e-16 5.284e-16 -15.776 -15.277 0.499 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.30 -39.40 -3.10 H2 + H2(g) -35.53 -38.63 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.28 1.29 1.57 NaCl - O2(g) -10.85 -13.74 -2.89 O2 + O2(g) -12.38 -15.28 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28728,7 +28476,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.865 Adjusted to redox equilibrium + pe = -0.569 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239112 Density (g/cm³) = 1.16651 Volume (L) = 1.10776 @@ -28736,11 +28484,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.693e-16 + Total alkalinity (eq/kg) = -6.550e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.055e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 69 + Electrical balance (eq) = 3.443e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28755,22 +28503,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.971e+00 0.699 0.473 -0.226 19.94 HCl 8.469e-10 1.137e-07 -9.072 -6.944 2.128 (0) -H(0) 2.974e-16 - H2 1.487e-16 4.703e-16 -15.828 -15.328 0.500 28.61 +H(0) 7.586e-17 + H2 3.793e-17 1.199e-16 -16.421 -15.921 0.500 28.61 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 1.593e-17 5.037e-17 -16.798 -16.298 0.500 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.387 -61.887 0.500 30.40 + O2 0.000e+00 0.000e+00 -61.200 -60.700 0.500 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -12.82 -15.92 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -58.99 -61.89 -2.89 O2 + O2(g) -57.81 -60.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28806,7 +28553,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.865 Adjusted to redox equilibrium + pe = -0.569 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239112 Density (g/cm³) = 1.16651 Volume (L) = 1.10776 @@ -28814,11 +28561,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.693e-16 + Total alkalinity (eq/kg) = -6.550e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.055e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 69 + Electrical balance (eq) = 3.443e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28833,22 +28580,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.971e+00 0.699 0.473 -0.226 19.94 HCl 8.469e-10 1.137e-07 -9.072 -6.944 2.128 (0) -H(0) 2.974e-16 - H2 1.487e-16 4.703e-16 -15.828 -15.328 0.500 28.61 +H(0) 7.586e-17 + H2 3.793e-17 1.199e-16 -16.421 -15.921 0.500 28.61 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 1.593e-17 5.037e-17 -16.798 -16.298 0.500 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.387 -61.887 0.500 30.40 + O2 0.000e+00 0.000e+00 -61.200 -60.700 0.500 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -12.82 -15.92 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -58.99 -61.89 -2.89 O2 + O2(g) -57.81 -60.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28884,7 +28630,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 10.969 Adjusted to redox equilibrium + pe = -0.933 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239472 Density (g/cm³) = 1.16722 Volume (L) = 1.10833 @@ -28892,11 +28638,11 @@ Reaction 1. Activity of water = 0.829 Ionic strength (mol/kgw) = 5.025e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.319e-16 + Total alkalinity (eq/kg) = 7.834e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.097e-13 + Electrical balance (eq) = 7.111e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 45 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28911,22 +28657,21 @@ Reaction 1. Cl 5.025e+00 Cl- 5.025e+00 2.987e+00 0.701 0.475 -0.226 19.94 HCl 8.309e-10 1.143e-07 -9.080 -6.942 2.139 (0) -H(0) 6.328e-40 - H2 3.164e-40 1.006e-39 -39.500 -38.997 0.502 28.61 +H(0) 4.043e-16 + H2 2.022e-16 6.429e-16 -15.694 -15.192 0.502 28.61 Na 5.025e+00 Na+ 5.025e+00 6.724e+00 0.701 0.828 0.127 1.03 - NaOH 1.597e-17 5.080e-17 -16.797 -16.294 0.502 (0) -O(0) 1.780e-15 - O2 8.900e-16 2.831e-15 -15.051 -14.548 0.502 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.662 -62.159 0.502 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.90 -39.00 -3.10 H2 + H2(g) -12.09 -15.19 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -11.66 -14.55 -2.89 O2 + O2(g) -59.27 -62.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28962,7 +28707,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.191 Adjusted to redox equilibrium + pe = 10.895 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 240756 Density (g/cm³) = 1.16981 Volume (L) = 1.11043 @@ -28970,11 +28715,11 @@ Reaction 1. Activity of water = 0.826 Ionic strength (mol/kgw) = 5.116e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.944e-16 + Total alkalinity (eq/kg) = 4.492e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.022e-11 + Electrical balance (eq) = 7.114e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 81 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28989,22 +28734,21 @@ Reaction 1. Cl 5.116e+00 Cl- 5.116e+00 3.047e+00 0.709 0.484 -0.225 19.96 HCl 7.743e-10 1.165e-07 -9.111 -6.934 2.177 (0) -H(0) 2.231e-40 - H2 1.116e-40 3.624e-40 -39.952 -39.441 0.512 28.61 +H(0) 8.704e-40 + H2 4.352e-40 1.413e-39 -39.361 -38.850 0.512 28.61 Na 5.116e+00 Na+ 5.116e+00 6.955e+00 0.709 0.842 0.133 1.05 - NaOH 1.613e-17 5.240e-17 -16.792 -16.281 0.512 (0) -O(0) 1.334e-14 - O2 6.670e-15 2.166e-14 -14.176 -13.664 0.512 30.40 +O(0) 8.768e-16 + O2 4.384e-16 1.424e-15 -15.358 -14.847 0.512 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.34 -39.44 -3.10 H2 + H2(g) -35.75 -38.85 -3.10 H2 H2O(g) -1.59 -0.08 1.50 H2O Halite -0.24 1.33 1.57 NaCl - O2(g) -10.77 -13.66 -2.89 O2 + O2(g) -11.95 -14.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29040,7 +28784,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 0.335 Adjusted to redox equilibrium + pe = -0.536 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242433 Density (g/cm³) = 1.17340 Volume (L) = 1.11337 @@ -29048,11 +28792,11 @@ Reaction 1. Activity of water = 0.822 Ionic strength (mol/kgw) = 5.243e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.366e-16 + Total alkalinity (eq/kg) = -4.766e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.454e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 2.348e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29067,22 +28811,21 @@ Reaction 1. Cl 5.243e+00 Cl- 5.243e+00 3.131e+00 0.720 0.496 -0.224 19.98 HCl 7.013e-10 1.195e-07 -9.154 -6.923 2.232 (0) -H(0) 1.114e-18 - H2 5.569e-19 1.863e-18 -18.254 -17.730 0.524 28.61 +H(0) 6.151e-17 + H2 3.075e-17 1.029e-16 -16.512 -15.988 0.524 28.61 Na 5.243e+00 Na+ 5.243e+00 7.287e+00 0.720 0.863 0.143 1.08 - NaOH 1.635e-17 5.469e-17 -16.786 -16.262 0.524 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.615 -57.091 0.524 30.40 + O2 0.000e+00 0.000e+00 -61.099 -60.575 0.524 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.63 -17.73 -3.10 H2 + H2(g) -12.89 -15.99 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.21 1.36 1.57 NaCl - O2(g) -54.20 -57.09 -2.89 O2 + O2(g) -57.68 -60.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29118,7 +28861,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 10.818 Adjusted to redox equilibrium + pe = -0.764 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242635 Density (g/cm³) = 1.17385 Volume (L) = 1.11374 @@ -29126,11 +28869,11 @@ Reaction 1. Activity of water = 0.821 Ionic strength (mol/kgw) = 5.259e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.847e-17 + Total alkalinity (eq/kg) = 7.060e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.008e-09 + Electrical balance (eq) = 8.574e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29145,22 +28888,21 @@ Reaction 1. Cl 5.259e+00 Cl- 5.259e+00 3.142e+00 0.721 0.497 -0.224 19.98 HCl 6.926e-10 1.199e-07 -9.160 -6.921 2.238 (0) -H(0) 1.196e-39 - H2 5.979e-40 2.007e-39 -39.223 -38.697 0.526 28.61 +H(0) 1.746e-16 + H2 8.728e-17 2.930e-16 -16.059 -15.533 0.526 28.61 Na 5.259e+00 Na+ 5.259e+00 7.329e+00 0.721 0.865 0.144 1.08 - NaOH 1.638e-17 5.498e-17 -16.786 -16.260 0.526 (0) -O(0) 4.158e-16 - O2 2.079e-16 6.978e-16 -15.682 -15.156 0.526 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.011 -61.485 0.526 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.60 -38.70 -3.10 H2 + H2(g) -12.43 -15.53 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.21 1.36 1.57 NaCl - O2(g) -12.26 -15.16 -2.89 O2 + O2(g) -58.59 -61.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29196,7 +28938,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = 10.771 Adjusted to redox equilibrium + pe = 10.746 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 243692 Density (g/cm³) = 1.17628 Volume (L) = 1.11575 @@ -29204,11 +28946,11 @@ Reaction 1. Activity of water = 0.818 Ionic strength (mol/kgw) = 5.346e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.042e-16 + Total alkalinity (eq/kg) = 7.873e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.072e-09 + Electrical balance (eq) = 1.083e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 28 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29223,22 +28965,21 @@ Reaction 1. Cl 5.346e+00 Cl- 5.346e+00 3.199e+00 0.728 0.505 -0.223 19.99 HCl 6.472e-10 1.220e-07 -9.189 -6.914 2.275 (0) -H(0) 1.454e-39 - H2 7.268e-40 2.489e-39 -39.139 -38.604 0.535 28.61 +H(0) 1.630e-39 + H2 8.152e-40 2.792e-39 -39.089 -38.554 0.535 28.61 Na 5.346e+00 Na+ 5.346e+00 7.563e+00 0.728 0.879 0.151 1.10 - NaOH 1.652e-17 5.659e-17 -16.782 -16.247 0.535 (0) -O(0) 2.631e-16 - O2 1.316e-16 4.506e-16 -15.881 -15.346 0.535 30.40 +O(0) 2.091e-16 + O2 1.046e-16 3.581e-16 -15.981 -15.446 0.535 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.50 -38.60 -3.10 H2 + H2(g) -35.45 -38.55 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.19 1.38 1.57 NaCl - O2(g) -12.45 -15.35 -2.89 O2 + O2(g) -12.55 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29274,7 +29015,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = 10.756 Adjusted to redox equilibrium + pe = 10.877 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 244159 Density (g/cm³) = 1.17739 Volume (L) = 1.11668 @@ -29282,11 +29023,11 @@ Reaction 1. Activity of water = 0.817 Ionic strength (mol/kgw) = 5.386e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.624e-16 + Total alkalinity (eq/kg) = 2.240e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.843e-11 + Electrical balance (eq) = 1.812e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 24 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29301,22 +29042,21 @@ Reaction 1. Cl 5.386e+00 Cl- 5.386e+00 3.226e+00 0.731 0.509 -0.223 20.00 HCl 6.273e-10 1.229e-07 -9.203 -6.910 2.292 (0) -H(0) 1.541e-39 - H2 7.706e-40 2.663e-39 -39.113 -38.575 0.539 28.61 +H(0) 8.822e-40 + H2 4.411e-40 1.524e-39 -39.355 -38.817 0.539 28.61 Na 5.386e+00 Na+ 5.386e+00 7.673e+00 0.731 0.885 0.154 1.11 - NaOH 1.659e-17 5.734e-17 -16.780 -16.242 0.539 (0) -O(0) 2.269e-16 - O2 1.135e-16 3.922e-16 -15.945 -15.407 0.539 30.40 +O(0) 6.927e-16 + O2 3.464e-16 1.197e-15 -15.460 -14.922 0.539 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.47 -38.57 -3.10 H2 + H2(g) -35.72 -38.82 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.18 1.39 1.57 NaCl - O2(g) -12.51 -15.41 -2.89 O2 + O2(g) -12.03 -14.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29352,7 +29092,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.802 Adjusted to redox equilibrium + pe = -0.951 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 245377 Density (g/cm³) = 1.18042 Volume (L) = 1.11922 @@ -29360,11 +29100,11 @@ Reaction 1. Activity of water = 0.813 Ionic strength (mol/kgw) = 5.495e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.744e-17 + Total alkalinity (eq/kg) = 2.780e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.481e-09 + Electrical balance (eq) = 4.999e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29379,22 +29119,21 @@ Reaction 1. Cl 5.495e+00 Cl- 5.495e+00 3.299e+00 0.740 0.518 -0.222 20.02 HCl 5.756e-10 1.256e-07 -9.240 -6.901 2.339 (0) -H(0) 1.956e-16 - H2 9.781e-17 3.467e-16 -16.010 -15.460 0.550 28.61 +H(0) 3.885e-16 + H2 1.942e-16 6.884e-16 -15.712 -15.162 0.550 28.61 Na 5.495e+00 Na+ 5.495e+00 7.979e+00 0.740 0.902 0.162 1.14 - NaOH 1.677e-17 5.943e-17 -16.775 -16.226 0.550 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.189 -61.639 0.550 30.40 + O2 0.000e+00 0.000e+00 -62.785 -62.235 0.550 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.36 -15.46 -3.10 H2 + H2(g) -12.06 -15.16 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.15 1.42 1.57 NaCl - O2(g) -58.75 -61.64 -2.89 O2 + O2(g) -59.34 -62.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29430,7 +29169,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -1.024 Adjusted to redox equilibrium + pe = 10.626 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 245878 Density (g/cm³) = 1.18173 Volume (L) = 1.12032 @@ -29438,11 +29177,11 @@ Reaction 1. Activity of water = 0.812 Ionic strength (mol/kgw) = 5.543e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.356e-16 + Total alkalinity (eq/kg) = -1.082e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.735e-08 + Electrical balance (eq) = 4.941e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29457,22 +29196,21 @@ Reaction 1. Cl 5.543e+00 Cl- 5.543e+00 3.331e+00 0.744 0.523 -0.221 20.02 HCl 5.544e-10 1.267e-07 -9.256 -6.897 2.359 (0) -H(0) 5.389e-16 - H2 2.695e-16 9.655e-16 -15.569 -15.015 0.554 28.61 +H(0) 2.703e-39 + H2 1.351e-39 4.842e-39 -38.869 -38.315 0.554 28.61 Na 5.543e+00 Na+ 5.543e+00 8.114e+00 0.744 0.909 0.166 1.15 - NaOH 1.685e-17 6.036e-17 -16.774 -16.219 0.554 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.085 -62.531 0.554 30.40 +O(0) 6.536e-17 + O2 3.268e-17 1.171e-16 -16.486 -15.931 0.554 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.91 -15.02 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.14 1.43 1.57 NaCl - O2(g) -59.64 -62.53 -2.89 O2 + O2(g) -13.04 -15.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29508,7 +29246,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.684 Adjusted to redox equilibrium + pe = 11.231 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248316 Density (g/cm³) = 1.18877 Volume (L) = 1.12634 @@ -29516,11 +29254,11 @@ Reaction 1. Activity of water = 0.803 Ionic strength (mol/kgw) = 5.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.374e-17 + Total alkalinity (eq/kg) = -3.225e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.750e-11 + Electrical balance (eq) = 1.276e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 59 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29535,22 +29273,21 @@ Reaction 1. Cl 5.800e+00 Cl- 5.800e+00 3.506e+00 0.763 0.545 -0.219 20.06 HCl 4.519e-10 1.329e-07 -9.345 -6.876 2.468 (0) -H(0) 1.055e-16 - H2 5.274e-17 2.005e-16 -16.278 -15.698 0.580 28.61 +H(0) 0.000e+00 + H2 0.000e+00 2.959e-40 -40.109 -39.529 0.580 28.61 Na 5.800e+00 Na+ 5.800e+00 8.882e+00 0.763 0.948 0.185 1.21 - NaOH 1.725e-17 6.557e-17 -16.763 -16.183 0.580 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.755 -61.175 0.580 30.40 +O(0) 1.615e-14 + O2 8.073e-15 3.069e-14 -14.093 -13.513 0.580 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.60 -15.70 -3.10 H2 + H2(g) -36.43 -39.53 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.08 1.49 1.57 NaCl - O2(g) -58.28 -61.18 -2.89 O2 + O2(g) -10.62 -13.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29586,7 +29323,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 11.394 Adjusted to redox equilibrium + pe = 11.243 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248336 Density (g/cm³) = 1.18884 Volume (L) = 1.12640 @@ -29594,11 +29331,11 @@ Reaction 1. Activity of water = 0.803 Ionic strength (mol/kgw) = 5.802e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.219e-16 + Total alkalinity (eq/kg) = -3.406e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.576e-08 + Electrical balance (eq) = 4.717e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 33 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29614,21 +29351,20 @@ Cl 5.802e+00 Cl- 5.802e+00 3.507e+00 0.764 0.545 -0.219 20.06 HCl 4.511e-10 1.330e-07 -9.346 -6.876 2.469 (0) H(0) 0.000e+00 - H2 0.000e+00 1.396e-40 -40.435 -39.855 0.580 28.61 + H2 0.000e+00 2.801e-40 -40.133 -39.553 0.580 28.61 Na 5.802e+00 Na+ 5.802e+00 8.889e+00 0.764 0.949 0.185 1.21 - NaOH 1.725e-17 6.562e-17 -16.763 -16.183 0.580 (0) -O(0) 7.244e-14 - O2 3.622e-14 1.378e-13 -13.441 -12.861 0.580 30.40 +O(0) 1.800e-14 + O2 8.999e-15 3.423e-14 -14.046 -13.466 0.580 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.75 -39.86 -3.10 H2 + H2(g) -36.45 -39.55 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.08 1.49 1.57 NaCl - O2(g) -9.97 -12.86 -2.89 O2 + O2(g) -10.57 -13.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29664,7 +29400,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = 10.513 Adjusted to redox equilibrium + pe = 11.295 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248509 Density (g/cm³) = 1.18939 Volume (L) = 1.12688 @@ -29672,11 +29408,11 @@ Reaction 1. Activity of water = 0.802 Ionic strength (mol/kgw) = 5.823e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.284e-16 + Total alkalinity (eq/kg) = 6.227e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.015e-09 + Electrical balance (eq) = 1.392e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 64 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29691,22 +29427,21 @@ Reaction 1. Cl 5.823e+00 Cl- 5.823e+00 3.521e+00 0.765 0.547 -0.218 20.07 HCl 4.438e-10 1.335e-07 -9.353 -6.875 2.478 (0) -H(0) 4.226e-39 - H2 2.113e-39 8.076e-39 -38.675 -38.093 0.582 28.61 +H(0) 0.000e+00 + H2 0.000e+00 2.201e-40 -40.240 -39.657 0.582 28.61 Na 5.823e+00 Na+ 5.823e+00 8.952e+00 0.765 0.952 0.187 1.21 - NaOH 1.728e-17 6.605e-17 -16.762 -16.180 0.582 (0) -O(0) 2.152e-17 - O2 1.076e-17 4.112e-17 -16.968 -16.386 0.582 30.40 +O(0) 2.897e-14 + O2 1.448e-14 5.535e-14 -13.839 -13.257 0.582 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.99 -38.09 -3.10 H2 + H2(g) -36.56 -39.66 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.07 1.50 1.57 NaCl - O2(g) -13.49 -16.39 -2.89 O2 + O2(g) -10.36 -13.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29742,7 +29477,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -1.379 Adjusted to redox equilibrium + pe = -1.029 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248608 Density (g/cm³) = 1.18971 Volume (L) = 1.12715 @@ -29750,11 +29485,11 @@ Reaction 1. Activity of water = 0.802 Ionic strength (mol/kgw) = 5.835e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.111e-16 + Total alkalinity (eq/kg) = 1.333e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.259e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Electrical balance (eq) = -4.732e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29769,22 +29504,21 @@ Reaction 1. Cl 5.835e+00 Cl- 5.835e+00 3.529e+00 0.766 0.548 -0.218 20.07 HCl 4.397e-10 1.337e-07 -9.357 -6.874 2.483 (0) -H(0) 2.565e-15 - H2 1.282e-15 4.914e-15 -14.892 -14.309 0.583 28.61 +H(0) 5.112e-16 + H2 2.556e-16 9.795e-16 -15.592 -15.009 0.583 28.61 Na 5.835e+00 Na+ 5.835e+00 8.989e+00 0.766 0.954 0.188 1.22 - NaOH 1.730e-17 6.630e-17 -16.762 -16.179 0.583 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.538 -63.955 0.583 30.40 + O2 0.000e+00 0.000e+00 -63.138 -62.554 0.583 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.21 -14.31 -3.10 H2 + H2(g) -11.91 -15.01 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.07 1.50 1.57 NaCl - O2(g) -61.06 -63.95 -2.89 O2 + O2(g) -59.66 -62.55 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29820,7 +29554,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -1.267 Adjusted to redox equilibrium + pe = 10.474 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249543 Density (g/cm³) = 1.19287 Volume (L) = 1.12991 @@ -29828,11 +29562,11 @@ Reaction 1. Activity of water = 0.798 Ionic strength (mol/kgw) = 5.952e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.506e-16 + Total alkalinity (eq/kg) = 1.529e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.184e-11 + Electrical balance (eq) = 3.069e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29847,22 +29581,21 @@ Reaction 1. Cl 5.952e+00 Cl- 5.952e+00 3.610e+00 0.775 0.558 -0.217 20.09 HCl 4.003e-10 1.366e-07 -9.398 -6.865 2.533 (0) -H(0) 1.483e-15 - H2 7.416e-16 2.920e-15 -15.130 -14.535 0.595 28.61 +H(0) 4.890e-39 + H2 2.445e-39 9.626e-39 -38.612 -38.017 0.595 28.61 Na 5.952e+00 Na+ 5.952e+00 9.360e+00 0.775 0.971 0.197 1.24 - NaOH 1.748e-17 6.880e-17 -16.758 -16.162 0.595 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.102 -63.507 0.595 30.40 +O(0) 1.454e-17 + O2 7.271e-18 2.863e-17 -17.138 -16.543 0.595 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.43 -14.53 -3.10 H2 + H2(g) -34.92 -38.02 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.04 1.53 1.57 NaCl - O2(g) -60.61 -63.51 -2.89 O2 + O2(g) -13.65 -16.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29898,7 +29631,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 10.794 Adjusted to redox equilibrium + pe = -1.102 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249901 Density (g/cm³) = 1.19417 Volume (L) = 1.13105 @@ -29906,11 +29639,11 @@ Reaction 1. Activity of water = 0.796 Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.429e-16 + Total alkalinity (eq/kg) = -4.465e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.651e-15 + Electrical balance (eq) = 9.019e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29925,22 +29658,21 @@ Reaction 1. Cl 6.000e+00 Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 HCl 3.851e-10 1.378e-07 -9.414 -6.861 2.554 (0) -H(0) 1.104e-39 - H2 5.522e-40 2.198e-39 -39.258 -38.658 0.600 28.61 +H(0) 6.846e-16 + H2 3.423e-16 1.363e-15 -15.466 -14.866 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.755e-17 6.985e-17 -16.756 -16.156 0.600 (0) -O(0) 2.745e-16 - O2 1.373e-16 5.465e-16 -15.862 -15.262 0.600 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.447 -62.847 0.600 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.56 -38.66 -3.10 H2 + H2(g) -11.76 -14.87 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.03 1.54 1.57 NaCl - O2(g) -12.37 -15.26 -2.89 O2 + O2(g) -59.95 -62.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29976,7 +29708,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 10.763 Adjusted to redox equilibrium + pe = -0.661 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 250056 Density (g/cm³) = 1.19474 Volume (L) = 1.13156 @@ -29984,11 +29716,11 @@ Reaction 1. Activity of water = 0.795 Ionic strength (mol/kgw) = 6.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.097e-16 + Total alkalinity (eq/kg) = -5.011e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.379e-09 + Electrical balance (eq) = 3.061e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 19 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30003,22 +29735,21 @@ Reaction 1. Cl 6.022e+00 Cl- 6.022e+00 3.658e+00 0.780 0.563 -0.216 20.10 HCl 3.784e-10 1.383e-07 -9.422 -6.859 2.563 (0) -H(0) 1.267e-39 - H2 6.336e-40 2.535e-39 -39.198 -38.596 0.602 28.61 +H(0) 8.945e-17 + H2 4.472e-17 1.789e-16 -16.349 -15.747 0.602 28.61 Na 6.022e+00 Na+ 6.022e+00 9.587e+00 0.780 0.982 0.202 1.26 - NaOH 1.758e-17 7.033e-17 -16.755 -16.153 0.602 (0) -O(0) 2.051e-16 - O2 1.025e-16 4.103e-16 -15.989 -15.387 0.602 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.687 -61.084 0.602 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.49 -38.60 -3.10 H2 + H2(g) -12.65 -15.75 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.03 1.54 1.57 NaCl - O2(g) -12.49 -15.39 -2.89 O2 + O2(g) -58.19 -61.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -30054,7 +29785,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = -1.207 Adjusted to redox equilibrium + pe = 10.463 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 250597 Density (g/cm³) = 1.19684 Volume (L) = 1.13341 @@ -30062,11 +29793,11 @@ Reaction 1. Activity of water = 0.793 Ionic strength (mol/kgw) = 6.100e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.413e-16 + Total alkalinity (eq/kg) = 4.904e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.732e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 24 + Electrical balance (eq) = 9.175e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -30081,22 +29812,21 @@ Reaction 1. Cl 6.100e+00 Cl- 6.100e+00 3.713e+00 0.785 0.570 -0.216 20.11 HCl 3.553e-10 1.402e-07 -9.449 -6.853 2.596 (0) -H(0) 1.085e-15 - H2 5.426e-16 2.211e-15 -15.266 -14.656 0.610 28.61 +H(0) 4.945e-39 + H2 2.473e-39 1.007e-38 -38.607 -37.997 0.610 28.61 Na 6.100e+00 Na+ 6.100e+00 9.846e+00 0.785 0.993 0.208 1.27 - NaOH 1.769e-17 7.207e-17 -16.752 -16.142 0.610 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.881 -63.271 0.610 30.40 +O(0) 1.267e-17 + O2 6.336e-18 2.581e-17 -17.198 -16.588 0.610 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.55 -14.66 -3.10 H2 + H2(g) -34.90 -38.00 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.01 1.56 1.57 NaCl - O2(g) -60.38 -63.27 -2.89 O2 + O2(g) -13.70 -16.59 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -70790,9 +70520,9 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 5.733e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.513e-17 + Total alkalinity (eq/kg) = 3.258e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.162e-14 + Electrical balance (eq) = 1.199e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -70807,18 +70537,17 @@ Reaction 1. H+ 9.125e-08 7.740e-08 -7.040 -7.111 -0.072 0.00 H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 18.07 H(0) 3.467e-15 - H2 1.734e-15 1.757e-15 -14.761 -14.755 0.006 28.61 + H2 1.733e-15 1.756e-15 -14.761 -14.755 0.006 28.61 Na 4.488e-02 Na+ 3.988e-02 3.259e-02 -1.399 -1.487 -0.088 -1.19 NaSO4- 4.996e-03 4.106e-03 -2.301 -2.387 -0.085 -8.07 - NaOH 4.201e-19 4.257e-19 -18.377 -18.371 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.876 -62.870 0.006 30.40 -S(-2) 1.950e-22 - HS- 1.270e-22 1.019e-22 -21.896 -21.992 -0.096 20.80 - H2S 6.803e-23 6.893e-23 -22.167 -22.162 0.006 36.27 - S-2 3.563e-28 1.590e-28 -27.448 -27.799 -0.351 (0) - (H2S)2 0.000e+00 0.000e+00 -45.607 -45.601 0.006 30.09 +S(-2) 1.949e-22 + HS- 1.269e-22 1.018e-22 -21.897 -21.992 -0.096 20.80 + H2S 6.798e-23 6.889e-23 -22.168 -22.162 0.006 36.27 + S-2 3.561e-28 1.589e-28 -27.448 -27.799 -0.351 (0) + (H2S)2 0.000e+00 0.000e+00 -45.608 -45.602 0.006 30.09 S(6) 2.244e-02 SO4-2 1.744e-02 7.740e-03 -1.758 -2.111 -0.353 22.19 NaSO4- 4.996e-03 4.106e-03 -2.301 -2.387 -0.085 -8.07 @@ -70879,11 +70608,11 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 6.342e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.970e-17 + Total alkalinity (eq/kg) = -3.290e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.996e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Electrical balance (eq) = -4.303e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.560654e+01 @@ -70895,19 +70624,18 @@ Reaction 1. OH- 1.664e-07 1.323e-07 -6.779 -6.878 -0.100 -3.83 H+ 9.051e-08 7.640e-08 -7.043 -7.117 -0.074 0.00 H2O 5.551e+01 9.988e-01 1.744 -0.001 0.000 18.07 -H(0) 4.982e-15 - H2 2.491e-15 2.527e-15 -14.604 -14.597 0.006 28.61 +H(0) 4.970e-15 + H2 2.485e-15 2.522e-15 -14.605 -14.598 0.006 28.61 Na 5.016e-02 Na+ 4.425e-02 3.590e-02 -1.354 -1.445 -0.091 -1.17 NaSO4- 5.911e-03 4.824e-03 -2.228 -2.317 -0.088 -7.57 - NaOH 4.682e-19 4.751e-19 -18.330 -18.323 0.006 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.193 -63.186 0.006 30.40 -S(-2) 8.809e-22 - HS- 5.782e-22 4.597e-22 -21.238 -21.338 -0.100 20.81 - H2S 3.026e-22 3.071e-22 -21.519 -21.513 0.006 36.27 - S-2 1.678e-27 7.268e-28 -26.775 -27.139 -0.363 (0) - (H2S)2 0.000e+00 0.000e+00 -44.310 -44.304 0.006 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.191 -63.184 0.006 30.40 +S(-2) 8.729e-22 + HS- 5.730e-22 4.556e-22 -21.242 -21.341 -0.100 20.81 + H2S 2.999e-22 3.043e-22 -21.523 -21.517 0.006 36.27 + S-2 1.663e-27 7.202e-28 -26.779 -27.143 -0.363 (0) + (H2S)2 0.000e+00 0.000e+00 -44.318 -44.312 0.006 30.09 S(6) 2.508e-02 SO4-2 1.917e-02 8.254e-03 -1.717 -2.083 -0.366 22.56 NaSO4- 5.911e-03 4.824e-03 -2.228 -2.317 -0.088 -7.57 @@ -70919,9 +70647,9 @@ S(6) 2.508e-02 H2(g) -11.50 -14.60 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.52 -28.45 -7.94 H2S + H2S(g) -20.52 -28.46 -7.94 H2S Mirabilite -3.74 -4.98 -1.24 Na2SO4:10H2O - O2(g) -60.29 -63.19 -2.89 O2 + O2(g) -60.29 -63.18 -2.89 O2 Sulfur -14.95 -10.07 4.88 S Thenardite -4.67 -4.97 -0.30 Na2SO4 @@ -70968,11 +70696,11 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 7.505e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.908e-17 + Total alkalinity (eq/kg) = 2.226e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.344e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Electrical balance (eq) = 1.370e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.562710e+01 @@ -70984,19 +70712,18 @@ Reaction 1. OH- 1.727e-07 1.353e-07 -6.763 -6.869 -0.106 -3.80 H+ 8.927e-08 7.473e-08 -7.049 -7.127 -0.077 0.00 H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.07 -H(0) 7.262e-16 - H2 3.631e-16 3.694e-16 -15.440 -15.432 0.008 28.61 +H(0) 7.239e-16 + H2 3.619e-16 3.683e-16 -15.441 -15.434 0.008 28.61 Na 6.044e-02 Na+ 5.263e-02 4.219e-02 -1.279 -1.375 -0.096 -1.15 NaSO4- 7.805e-03 6.294e-03 -2.108 -2.201 -0.093 -6.70 - NaOH 5.609e-19 5.706e-19 -18.251 -18.244 0.008 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.524 -61.516 0.008 30.40 -S(-2) 4.378e-25 - HS- 2.913e-25 2.281e-25 -24.536 -24.642 -0.106 20.83 - H2S 1.465e-25 1.490e-25 -24.834 -24.827 0.008 36.27 - S-2 8.955e-31 3.686e-31 -30.048 -30.433 -0.385 (0) - (H2S)2 0.000e+00 0.000e+00 -50.939 -50.932 0.008 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.521 -61.514 0.008 30.40 +S(-2) 4.323e-25 + HS- 2.877e-25 2.252e-25 -24.541 -24.647 -0.106 20.83 + H2S 1.446e-25 1.472e-25 -24.840 -24.832 0.008 36.27 + S-2 8.842e-31 3.640e-31 -30.053 -30.439 -0.385 (0) + (H2S)2 0.000e+00 0.000e+00 -50.950 -50.943 0.008 30.09 S(6) 3.022e-02 SO4-2 2.241e-02 9.164e-03 -1.649 -2.038 -0.388 23.22 NaSO4- 7.805e-03 6.294e-03 -2.108 -2.201 -0.093 -6.70 @@ -71008,10 +70735,10 @@ S(6) 3.022e-02 H2(g) -12.33 -15.43 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -23.83 -31.77 -7.94 H2S + H2S(g) -23.84 -31.77 -7.94 H2S Mirabilite -3.55 -4.79 -1.24 Na2SO4:10H2O - O2(g) -58.62 -61.52 -2.89 O2 - Sulfur -17.43 -12.54 4.88 S + O2(g) -58.62 -61.51 -2.89 O2 + Sulfur -17.43 -12.55 4.88 S Thenardite -4.49 -4.79 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -71057,9 +70784,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 7.999e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.382e-16 + Total alkalinity (eq/kg) = -3.214e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.052e-10 + Electrical balance (eq) = -4.965e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -71073,19 +70800,18 @@ Reaction 1. OH- 1.752e-07 1.364e-07 -6.756 -6.865 -0.109 -3.78 H+ 8.879e-08 7.410e-08 -7.052 -7.130 -0.079 0.00 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.07 -H(0) 5.156e-15 - H2 2.578e-15 2.626e-15 -14.589 -14.581 0.008 28.61 +H(0) 5.159e-15 + H2 2.580e-15 2.628e-15 -14.588 -14.580 0.008 28.61 Na 6.488e-02 Na+ 5.621e-02 4.485e-02 -1.250 -1.348 -0.098 -1.13 NaSO4- 8.666e-03 6.956e-03 -2.062 -2.158 -0.095 -6.37 - NaOH 6.006e-19 6.118e-19 -18.221 -18.213 0.008 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.228 -63.220 0.008 30.40 -S(-2) 1.154e-21 - HS- 7.717e-22 6.006e-22 -21.113 -21.221 -0.109 20.84 - H2S 3.820e-22 3.891e-22 -21.418 -21.410 0.008 36.27 - S-2 2.425e-27 9.790e-28 -26.615 -27.009 -0.394 (0) - (H2S)2 0.000e+00 0.000e+00 -44.106 -44.098 0.008 30.09 +S(-2) 1.156e-21 + HS- 7.734e-22 6.020e-22 -21.112 -21.220 -0.109 20.84 + H2S 3.829e-22 3.900e-22 -21.417 -21.409 0.008 36.27 + S-2 2.431e-27 9.812e-28 -26.614 -27.008 -0.394 (0) + (H2S)2 0.000e+00 0.000e+00 -44.104 -44.096 0.008 30.09 S(6) 3.244e-02 SO4-2 2.377e-02 9.526e-03 -1.624 -2.021 -0.397 23.48 NaSO4- 8.666e-03 6.956e-03 -2.062 -2.158 -0.095 -6.37 @@ -71097,7 +70823,7 @@ S(6) 3.244e-02 H2(g) -11.48 -14.58 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.42 -28.35 -7.94 H2S + H2S(g) -20.41 -28.35 -7.94 H2S Mirabilite -3.48 -4.72 -1.24 Na2SO4:10H2O O2(g) -60.33 -63.22 -2.89 O2 Sulfur -14.86 -9.98 4.88 S @@ -71146,7 +70872,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 8.189e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.740e-17 + Total alkalinity (eq/kg) = 4.661e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.073e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -71162,19 +70888,18 @@ Reaction 1. OH- 1.762e-07 1.368e-07 -6.754 -6.864 -0.110 -3.78 H+ 8.862e-08 7.387e-08 -7.052 -7.132 -0.079 0.00 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.07 -H(0) 3.800e-39 - H2 1.900e-39 1.936e-39 -38.721 -38.713 0.008 28.61 +H(0) 3.791e-39 + H2 1.896e-39 1.932e-39 -38.722 -38.714 0.008 28.61 Na 6.660e-02 Na+ 5.759e-02 4.588e-02 -1.240 -1.338 -0.099 -1.13 NaSO4- 9.006e-03 7.216e-03 -2.045 -2.142 -0.096 -6.24 - NaOH 6.159e-19 6.277e-19 -18.210 -18.202 0.008 (0) -O(0) 2.176e-15 - O2 1.088e-15 1.109e-15 -14.963 -14.955 0.008 30.40 +O(0) 2.186e-15 + O2 1.093e-15 1.114e-15 -14.961 -14.953 0.008 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.636 -117.746 -0.110 20.84 - H2S 0.000e+00 0.000e+00 -117.944 -117.936 0.008 36.27 - S-2 0.000e+00 0.000e+00 -123.135 -123.532 -0.397 (0) - (H2S)2 0.000e+00 0.000e+00 -237.158 -237.150 0.008 30.09 + HS- 0.000e+00 0.000e+00 -117.640 -117.750 -0.110 20.84 + H2S 0.000e+00 0.000e+00 -117.948 -117.940 0.008 36.27 + S-2 0.000e+00 0.000e+00 -123.139 -123.536 -0.397 (0) + (H2S)2 0.000e+00 0.000e+00 -237.166 -237.158 0.008 30.09 S(6) 3.330e-02 SO4-2 2.429e-02 9.662e-03 -1.614 -2.015 -0.400 23.58 NaSO4- 9.006e-03 7.216e-03 -2.045 -2.142 -0.096 -6.24 @@ -71186,10 +70911,10 @@ S(6) 3.330e-02 H2(g) -35.61 -38.71 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -116.94 -124.88 -7.94 H2S + H2S(g) -116.95 -124.88 -7.94 H2S Mirabilite -3.46 -4.70 -1.24 Na2SO4:10H2O - O2(g) -12.06 -14.96 -2.89 O2 - Sulfur -87.25 -82.37 4.88 S + O2(g) -12.06 -14.95 -2.89 O2 + Sulfur -87.26 -82.38 4.88 S Thenardite -4.39 -4.69 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -71227,7 +70952,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.135 Charge balance - pe = -1.274 Adjusted to redox equilibrium + pe = -1.273 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6747 Density (g/cm³) = 1.00163 Volume (L) = 1.00345 @@ -71235,9 +70960,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 8.740e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.240e-17 + Total alkalinity (eq/kg) = 3.766e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.558e-13 + Electrical balance (eq) = 6.230e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -71251,19 +70976,18 @@ Reaction 1. OH- 1.788e-07 1.380e-07 -6.748 -6.860 -0.113 -3.76 H+ 8.813e-08 7.323e-08 -7.055 -7.135 -0.080 0.00 H2O 5.551e+01 9.983e-01 1.744 -0.001 0.000 18.07 -H(0) 2.632e-15 - H2 1.316e-15 1.343e-15 -14.881 -14.872 0.009 28.61 +H(0) 2.621e-15 + H2 1.310e-15 1.337e-15 -14.883 -14.874 0.009 28.61 Na 7.162e-02 Na+ 6.160e-02 4.884e-02 -1.210 -1.311 -0.101 -1.12 NaSO4- 1.002e-02 7.988e-03 -1.999 -2.098 -0.098 -5.89 - NaOH 6.605e-19 6.740e-19 -18.180 -18.171 0.009 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.646 -62.637 0.009 30.40 -S(-2) 8.236e-23 - HS- 5.549e-23 4.282e-23 -22.256 -22.368 -0.113 20.85 - H2S 2.687e-23 2.742e-23 -22.571 -22.562 0.009 36.27 - S-2 1.799e-28 7.063e-29 -27.745 -28.151 -0.406 (0) - (H2S)2 0.000e+00 0.000e+00 -46.411 -46.402 0.009 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.642 -62.634 0.009 30.40 +S(-2) 8.093e-23 + HS- 5.452e-23 4.208e-23 -22.263 -22.376 -0.113 20.85 + H2S 2.640e-23 2.694e-23 -22.578 -22.570 0.009 36.27 + S-2 1.768e-28 6.940e-29 -27.753 -28.159 -0.406 (0) + (H2S)2 0.000e+00 0.000e+00 -46.426 -46.417 0.009 30.09 S(6) 3.581e-02 SO4-2 2.579e-02 1.005e-02 -1.588 -1.998 -0.409 23.85 NaSO4- 1.002e-02 7.988e-03 -1.999 -2.098 -0.098 -5.89 @@ -71275,10 +70999,10 @@ S(6) 3.581e-02 H2(g) -11.77 -14.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.57 -29.50 -7.94 H2S + H2S(g) -21.58 -29.51 -7.94 H2S Mirabilite -3.39 -4.63 -1.24 Na2SO4:10H2O - O2(g) -59.75 -62.64 -2.89 O2 - Sulfur -15.72 -10.84 4.88 S + O2(g) -59.74 -62.63 -2.89 O2 + Sulfur -15.73 -10.85 4.88 S Thenardite -4.32 -4.62 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -71316,7 +71040,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.140 Charge balance - pe = 10.607 Adjusted to redox equilibrium + pe = 10.608 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7353 Density (g/cm³) = 1.00210 Volume (L) = 1.00351 @@ -71324,7 +71048,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 9.541e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.533e-17 + Total alkalinity (eq/kg) = 2.957e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.499e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -71340,19 +71064,18 @@ Reaction 1. OH- 1.825e-07 1.396e-07 -6.739 -6.855 -0.116 -3.74 H+ 8.748e-08 7.237e-08 -7.058 -7.140 -0.082 0.00 H2O 5.551e+01 9.982e-01 1.744 -0.001 0.000 18.07 -H(0) 4.425e-39 - H2 2.212e-39 2.262e-39 -38.655 -38.646 0.010 28.61 +H(0) 4.407e-39 + H2 2.204e-39 2.252e-39 -38.657 -38.647 0.010 28.61 Na 7.901e-02 Na+ 6.746e-02 5.314e-02 -1.171 -1.275 -0.104 -1.10 NaSO4- 1.155e-02 9.154e-03 -1.937 -2.038 -0.101 -5.41 - NaOH 7.258e-19 7.419e-19 -18.139 -18.130 0.010 (0) -O(0) 1.589e-15 - O2 7.944e-16 8.121e-16 -15.100 -15.090 0.010 30.40 +O(0) 1.602e-15 + O2 8.009e-16 8.186e-16 -15.096 -15.087 0.010 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.329 -117.445 -0.116 20.86 - H2S 0.000e+00 0.000e+00 -117.653 -117.644 0.010 36.27 - S-2 0.000e+00 0.000e+00 -122.805 -123.223 -0.418 (0) - (H2S)2 0.000e+00 0.000e+00 -236.576 -236.566 0.010 30.09 + HS- 0.000e+00 0.000e+00 -117.336 -117.452 -0.116 20.86 + H2S 0.000e+00 0.000e+00 -117.660 -117.651 0.010 36.27 + S-2 0.000e+00 0.000e+00 -122.812 -123.230 -0.418 (0) + (H2S)2 0.000e+00 0.000e+00 -236.590 -236.580 0.010 30.09 S(6) 3.951e-02 SO4-2 2.795e-02 1.058e-02 -1.554 -1.975 -0.422 24.24 NaSO4- 1.155e-02 9.154e-03 -1.937 -2.038 -0.101 -5.41 @@ -71362,12 +71085,12 @@ S(6) 3.951e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.54 -38.65 -3.10 H2 + H2(g) -35.55 -38.65 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -116.65 -124.59 -7.94 H2S + H2S(g) -116.66 -124.59 -7.94 H2S Mirabilite -3.29 -4.53 -1.24 Na2SO4:10H2O - O2(g) -12.20 -15.09 -2.89 O2 - Sulfur -87.03 -82.15 4.88 S + O2(g) -12.19 -15.09 -2.89 O2 + Sulfur -87.04 -82.15 4.88 S Thenardite -4.22 -4.52 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -71413,9 +71136,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.027e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.685e-17 + Total alkalinity (eq/kg) = 8.613e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.699e-12 + Electrical balance (eq) = 1.698e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -71429,19 +71152,18 @@ Reaction 1. OH- 1.856e-07 1.410e-07 -6.731 -6.851 -0.119 -3.72 H+ 8.693e-08 7.165e-08 -7.061 -7.145 -0.084 0.00 H2O 5.551e+01 9.980e-01 1.744 -0.001 0.000 18.07 -H(0) 7.739e-39 - H2 3.870e-39 3.962e-39 -38.412 -38.402 0.010 28.61 +H(0) 7.735e-39 + H2 3.867e-39 3.960e-39 -38.413 -38.402 0.010 28.61 Na 8.586e-02 Na+ 7.283e-02 5.707e-02 -1.138 -1.244 -0.106 -1.09 NaSO4- 1.303e-02 1.026e-02 -1.885 -1.989 -0.104 -5.00 - NaOH 7.858e-19 8.046e-19 -18.105 -18.094 0.010 (0) -O(0) 5.166e-16 - O2 2.583e-16 2.645e-16 -15.588 -15.578 0.010 30.40 +O(0) 5.172e-16 + O2 2.586e-16 2.648e-16 -15.587 -15.577 0.010 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.337 -116.456 -0.119 20.88 - H2S 0.000e+00 0.000e+00 -116.670 -116.659 0.010 36.27 - S-2 0.000e+00 0.000e+00 -121.801 -122.230 -0.428 (0) - (H2S)2 0.000e+00 0.000e+00 -234.607 -234.597 0.010 30.09 + HS- 0.000e+00 0.000e+00 -116.338 -116.457 -0.119 20.88 + H2S 0.000e+00 0.000e+00 -116.671 -116.660 0.010 36.27 + S-2 0.000e+00 0.000e+00 -121.802 -122.231 -0.428 (0) + (H2S)2 0.000e+00 0.000e+00 -234.609 -234.599 0.010 30.09 S(6) 4.293e-02 SO4-2 2.990e-02 1.105e-02 -1.524 -1.957 -0.432 24.58 NaSO4- 1.303e-02 1.026e-02 -1.885 -1.989 -0.104 -5.00 @@ -71455,7 +71177,7 @@ S(6) 4.293e-02 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -115.67 -123.60 -7.94 H2S Mirabilite -3.21 -4.45 -1.24 Na2SO4:10H2O - O2(g) -12.69 -15.58 -2.89 O2 + O2(g) -12.68 -15.58 -2.89 O2 Sulfur -86.29 -81.41 4.88 S Thenardite -4.14 -4.44 -0.30 Na2SO4 @@ -71494,7 +71216,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.153 Charge balance - pe = -1.268 Adjusted to redox equilibrium + pe = -1.267 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9016 Density (g/cm³) = 1.00342 Volume (L) = 1.00366 @@ -71502,9 +71224,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.175e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.896e-17 + Total alkalinity (eq/kg) = 1.573e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.316e-12 + Electrical balance (eq) = 2.859e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -71518,19 +71240,18 @@ Reaction 1. OH- 1.916e-07 1.435e-07 -6.718 -6.843 -0.125 -3.69 H+ 8.593e-08 7.036e-08 -7.066 -7.153 -0.087 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.07 -H(0) 2.342e-15 - H2 1.171e-15 1.203e-15 -14.931 -14.920 0.012 28.61 +H(0) 2.338e-15 + H2 1.169e-15 1.201e-15 -14.932 -14.920 0.012 28.61 Na 9.988e-02 Na+ 8.371e-02 6.496e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.617e-02 1.261e-02 -1.791 -1.899 -0.108 -4.23 - NaOH 9.074e-19 9.323e-19 -18.042 -18.030 0.012 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.554 -62.543 0.012 30.40 -S(-2) 6.099e-23 - HS- 4.210e-23 3.154e-23 -22.376 -22.501 -0.125 20.90 - H2S 1.889e-23 1.941e-23 -22.724 -22.712 0.012 36.27 - S-2 1.517e-28 5.415e-29 -27.819 -28.266 -0.447 (0) - (H2S)2 0.000e+00 0.000e+00 -46.714 -46.702 0.012 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.553 -62.541 0.012 30.40 +S(-2) 6.056e-23 + HS- 4.181e-23 3.132e-23 -22.379 -22.504 -0.125 20.90 + H2S 1.876e-23 1.927e-23 -22.727 -22.715 0.012 36.27 + S-2 1.506e-28 5.377e-29 -27.822 -28.269 -0.447 (0) + (H2S)2 0.000e+00 0.000e+00 -46.720 -46.708 0.012 30.09 S(6) 4.994e-02 SO4-2 3.377e-02 1.193e-02 -1.471 -1.924 -0.452 25.23 NaSO4- 1.617e-02 1.261e-02 -1.791 -1.899 -0.108 -4.23 @@ -71542,10 +71263,10 @@ S(6) 4.994e-02 H2(g) -11.82 -14.92 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.72 -29.65 -7.94 H2S + H2S(g) -21.72 -29.66 -7.94 H2S Mirabilite -3.07 -4.31 -1.24 Na2SO4:10H2O O2(g) -59.65 -62.54 -2.89 O2 - Sulfur -15.82 -10.94 4.88 S + Sulfur -15.83 -10.94 4.88 S Thenardite -4.00 -4.30 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -71583,7 +71304,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.153 Charge balance - pe = -1.281 Adjusted to redox equilibrium + pe = -1.280 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9021 Density (g/cm³) = 1.00343 Volume (L) = 1.00366 @@ -71591,9 +71312,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.176e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.644e-17 + Total alkalinity (eq/kg) = 2.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.029e-12 + Electrical balance (eq) = 1.374e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -71607,19 +71328,18 @@ Reaction 1. OH- 1.916e-07 1.435e-07 -6.718 -6.843 -0.125 -3.69 H+ 8.593e-08 7.036e-08 -7.066 -7.153 -0.087 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.07 -H(0) 2.483e-15 - H2 1.241e-15 1.276e-15 -14.906 -14.894 0.012 28.61 +H(0) 2.471e-15 + H2 1.236e-15 1.269e-15 -14.908 -14.896 0.012 28.61 Na 9.996e-02 Na+ 8.377e-02 6.500e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.619e-02 1.262e-02 -1.791 -1.899 -0.108 -4.23 - NaOH 9.081e-19 9.330e-19 -18.042 -18.030 0.012 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.605 -62.593 0.012 30.40 -S(-2) 7.709e-23 - HS- 5.322e-23 3.987e-23 -22.274 -22.399 -0.125 20.90 - H2S 2.387e-23 2.453e-23 -22.622 -22.610 0.012 36.27 - S-2 1.918e-28 6.844e-29 -27.717 -28.165 -0.447 (0) - (H2S)2 0.000e+00 0.000e+00 -46.511 -46.499 0.012 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.601 -62.589 0.012 30.40 +S(-2) 7.563e-23 + HS- 5.221e-23 3.912e-23 -22.282 -22.408 -0.125 20.90 + H2S 2.342e-23 2.406e-23 -22.630 -22.619 0.012 36.27 + S-2 1.882e-28 6.715e-29 -27.725 -28.173 -0.447 (0) + (H2S)2 0.000e+00 0.000e+00 -46.527 -46.516 0.012 30.09 S(6) 4.998e-02 SO4-2 3.379e-02 1.193e-02 -1.471 -1.923 -0.452 25.23 NaSO4- 1.619e-02 1.262e-02 -1.791 -1.899 -0.108 -4.23 @@ -71629,9 +71349,9 @@ S(6) 4.998e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.79 -14.89 -3.10 H2 + H2(g) -11.80 -14.90 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.62 -29.55 -7.94 H2S + H2S(g) -21.62 -29.56 -7.94 H2S Mirabilite -3.07 -4.31 -1.24 Na2SO4:10H2O O2(g) -59.70 -62.59 -2.89 O2 Sulfur -15.75 -10.87 4.88 S @@ -71701,7 +71421,6 @@ H(0) 3.308e-39 Na 1.000e-01 Na+ 8.380e-02 6.502e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.620e-02 1.263e-02 -1.791 -1.899 -0.108 -4.22 - NaOH 9.084e-19 9.334e-19 -18.042 -18.030 0.012 (0) O(0) 2.798e-15 O2 1.399e-15 1.437e-15 -14.854 -14.842 0.012 30.40 S(-2) 0.000e+00 @@ -71790,7 +71509,6 @@ H(0) 3.308e-39 Na 1.000e-01 Na+ 8.380e-02 6.502e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.620e-02 1.263e-02 -1.791 -1.899 -0.108 -4.22 - NaOH 9.084e-19 9.334e-19 -18.042 -18.030 0.012 (0) O(0) 2.798e-15 O2 1.399e-15 1.437e-15 -14.854 -14.842 0.012 30.40 S(-2) 0.000e+00 @@ -71850,7 +71568,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.153 Charge balance - pe = -1.366 Adjusted to redox equilibrium + pe = -1.368 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9103 Density (g/cm³) = 1.00349 Volume (L) = 1.00367 @@ -71858,9 +71576,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.186e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.898e-17 + Total alkalinity (eq/kg) = 4.528e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.911e-15 + Electrical balance (eq) = 9.756e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -71874,19 +71592,18 @@ Reaction 1. OH- 1.920e-07 1.437e-07 -6.717 -6.843 -0.126 -3.68 H+ 8.586e-08 7.027e-08 -7.066 -7.153 -0.087 0.00 H2O 5.551e+01 9.977e-01 1.744 -0.001 0.000 18.07 -H(0) 3.668e-15 - H2 1.834e-15 1.885e-15 -14.737 -14.725 0.012 28.61 +H(0) 3.711e-15 + H2 1.855e-15 1.907e-15 -14.732 -14.720 0.012 28.61 Na 1.010e-01 Na+ 8.457e-02 6.558e-02 -1.073 -1.183 -0.110 -1.06 NaSO4- 1.643e-02 1.280e-02 -1.784 -1.893 -0.108 -4.17 - NaOH 9.171e-19 9.425e-19 -18.038 -18.026 0.012 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.944 -62.933 0.012 30.40 -S(-2) 3.690e-22 - HS- 2.550e-22 1.908e-22 -21.594 -21.719 -0.126 20.90 - H2S 1.141e-22 1.172e-22 -21.943 -21.931 0.012 36.27 - S-2 9.219e-28 3.280e-28 -27.035 -27.484 -0.449 (0) - (H2S)2 0.000e+00 0.000e+00 -45.152 -45.140 0.012 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.954 -62.943 0.012 30.40 +S(-2) 3.865e-22 + HS- 2.670e-22 1.999e-22 -21.573 -21.699 -0.126 20.90 + H2S 1.195e-22 1.228e-22 -21.923 -21.911 0.012 36.27 + S-2 9.656e-28 3.435e-28 -27.015 -27.464 -0.449 (0) + (H2S)2 0.000e+00 0.000e+00 -45.112 -45.100 0.012 30.09 S(6) 5.050e-02 SO4-2 3.407e-02 1.199e-02 -1.468 -1.921 -0.454 25.27 NaSO4- 1.643e-02 1.280e-02 -1.784 -1.893 -0.108 -4.17 @@ -71898,10 +71615,10 @@ S(6) 5.050e-02 H2(g) -11.62 -14.72 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.94 -28.87 -7.94 H2S + H2S(g) -20.92 -28.85 -7.94 H2S Mirabilite -3.06 -4.30 -1.24 Na2SO4:10H2O - O2(g) -60.04 -62.93 -2.89 O2 - Sulfur -15.24 -10.36 4.88 S + O2(g) -60.05 -62.94 -2.89 O2 + Sulfur -15.22 -10.34 4.88 S Thenardite -3.99 -4.29 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -71939,7 +71656,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.158 Charge balance - pe = -1.498 Adjusted to redox equilibrium + pe = -1.496 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9881 Density (g/cm³) = 1.00413 Volume (L) = 1.00375 @@ -71947,9 +71664,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.290e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.260e-17 + Total alkalinity (eq/kg) = -7.678e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.135e-11 + Electrical balance (eq) = -5.352e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -71963,19 +71680,18 @@ Reaction 1. OH- 1.959e-07 1.453e-07 -6.708 -6.838 -0.130 -3.66 H+ 8.525e-08 6.948e-08 -7.069 -7.158 -0.089 0.00 H2O 5.551e+01 9.975e-01 1.744 -0.001 0.000 18.07 -H(0) 6.571e-15 - H2 3.286e-15 3.385e-15 -14.483 -14.470 0.013 28.61 +H(0) 6.510e-15 + H2 3.255e-15 3.353e-15 -14.487 -14.475 0.013 28.61 Na 1.111e-01 Na+ 9.227e-02 7.112e-02 -1.035 -1.148 -0.113 -1.04 NaSO4- 1.879e-02 1.455e-02 -1.726 -1.837 -0.111 -3.68 - NaOH 1.003e-18 1.033e-18 -17.999 -17.986 0.013 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.454 -63.441 0.013 30.40 -S(-2) 3.987e-21 - HS- 2.774e-21 2.058e-21 -20.557 -20.687 -0.130 20.91 - H2S 1.214e-21 1.250e-21 -20.916 -20.903 0.013 36.27 - S-2 1.034e-26 3.577e-27 -25.986 -26.446 -0.461 (0) - (H2S)2 0.000e+00 0.000e+00 -43.097 -43.084 0.013 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.446 -63.433 0.013 30.40 +S(-2) 3.840e-21 + HS- 2.671e-21 1.982e-21 -20.573 -20.703 -0.130 20.91 + H2S 1.169e-21 1.204e-21 -20.932 -20.919 0.013 36.27 + S-2 9.957e-27 3.445e-27 -26.002 -26.463 -0.461 (0) + (H2S)2 0.000e+00 0.000e+00 -43.130 -43.117 0.013 30.09 S(6) 5.553e-02 SO4-2 3.674e-02 1.256e-02 -1.435 -1.901 -0.466 25.70 NaSO4- 1.879e-02 1.455e-02 -1.726 -1.837 -0.111 -3.68 @@ -71987,10 +71703,10 @@ S(6) 5.553e-02 H2(g) -11.37 -14.47 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.91 -27.84 -7.94 H2S + H2S(g) -19.92 -27.86 -7.94 H2S Mirabilite -2.97 -4.21 -1.24 Na2SO4:10H2O - O2(g) -60.55 -63.44 -2.89 O2 - Sulfur -14.46 -9.58 4.88 S + O2(g) -60.54 -63.43 -2.89 O2 + Sulfur -14.48 -9.59 4.88 S Thenardite -3.90 -4.20 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72036,9 +71752,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.373e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.254e-17 + Total alkalinity (eq/kg) = 1.502e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-12 + Electrical balance (eq) = 1.956e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -72052,19 +71768,18 @@ Reaction 1. OH- 1.988e-07 1.465e-07 -6.702 -6.834 -0.133 -3.64 H+ 8.480e-08 6.890e-08 -7.072 -7.162 -0.090 0.00 H2O 5.551e+01 9.973e-01 1.744 -0.001 0.000 18.07 -H(0) 4.286e-39 - H2 2.143e-39 2.212e-39 -38.669 -38.655 0.014 28.61 +H(0) 4.285e-39 + H2 2.143e-39 2.211e-39 -38.669 -38.655 0.014 28.61 Na 1.192e-01 Na+ 9.842e-02 7.552e-02 -1.007 -1.122 -0.115 -1.02 NaSO4- 2.074e-02 1.598e-02 -1.683 -1.796 -0.113 -3.31 - NaOH 1.072e-18 1.106e-18 -17.970 -17.956 0.014 (0) -O(0) 1.642e-15 - O2 8.211e-16 8.474e-16 -15.086 -15.072 0.014 30.40 +O(0) 1.643e-15 + O2 8.215e-16 8.479e-16 -15.085 -15.072 0.014 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.282 -117.414 -0.133 20.92 - H2S 0.000e+00 0.000e+00 -117.648 -117.634 0.014 36.27 - S-2 0.000e+00 0.000e+00 -122.700 -123.170 -0.470 (0) - (H2S)2 0.000e+00 0.000e+00 -236.560 -236.547 0.014 30.09 + HS- 0.000e+00 0.000e+00 -117.282 -117.415 -0.133 20.92 + H2S 0.000e+00 0.000e+00 -117.648 -117.635 0.014 36.27 + S-2 0.000e+00 0.000e+00 -122.701 -123.171 -0.470 (0) + (H2S)2 0.000e+00 0.000e+00 -236.561 -236.547 0.014 30.09 S(6) 5.958e-02 SO4-2 3.884e-02 1.300e-02 -1.411 -1.886 -0.475 26.02 NaSO4- 2.074e-02 1.598e-02 -1.683 -1.796 -0.113 -3.31 @@ -72117,7 +71832,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.164 Charge balance - pe = -1.323 Adjusted to redox equilibrium + pe = -1.321 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10899 Density (g/cm³) = 1.00497 Volume (L) = 1.00385 @@ -72125,9 +71840,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.426e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.912e-17 + Total alkalinity (eq/kg) = 2.522e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.004e-13 + Electrical balance (eq) = 1.202e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -72141,19 +71856,18 @@ Reaction 1. OH- 2.006e-07 1.472e-07 -6.698 -6.832 -0.134 -3.63 H+ 8.453e-08 6.855e-08 -7.073 -7.164 -0.091 0.00 H2O 5.551e+01 9.972e-01 1.744 -0.001 0.000 18.07 -H(0) 2.844e-15 - H2 1.422e-15 1.470e-15 -14.847 -14.833 0.014 28.61 +H(0) 2.825e-15 + H2 1.412e-15 1.459e-15 -14.850 -14.836 0.014 28.61 Na 1.245e-01 Na+ 1.024e-01 7.839e-02 -0.990 -1.106 -0.116 -1.02 NaSO4- 2.204e-02 1.694e-02 -1.657 -1.771 -0.114 -3.08 - NaOH 1.117e-18 1.154e-18 -17.952 -17.938 0.014 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.731 -62.717 0.014 30.40 -S(-2) 1.482e-22 - HS- 1.039e-22 7.630e-23 -21.983 -22.117 -0.134 20.93 - H2S 4.425e-23 4.573e-23 -22.354 -22.340 0.014 36.27 - S-2 4.018e-28 1.344e-28 -27.396 -27.871 -0.476 (0) - (H2S)2 0.000e+00 0.000e+00 -45.972 -45.958 0.014 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.725 -62.711 0.014 30.40 +S(-2) 1.442e-22 + HS- 1.011e-22 7.424e-23 -21.995 -22.129 -0.134 20.93 + H2S 4.306e-23 4.449e-23 -22.366 -22.352 0.014 36.27 + S-2 3.910e-28 1.308e-28 -27.408 -27.883 -0.476 (0) + (H2S)2 0.000e+00 0.000e+00 -45.996 -45.982 0.014 30.09 S(6) 6.224e-02 SO4-2 4.019e-02 1.327e-02 -1.396 -1.877 -0.481 26.23 NaSO4- 2.204e-02 1.694e-02 -1.657 -1.771 -0.114 -3.08 @@ -72163,12 +71877,12 @@ S(6) 6.224e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.73 -14.83 -3.10 H2 + H2(g) -11.73 -14.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.35 -29.28 -7.94 H2S + H2S(g) -21.36 -29.29 -7.94 H2S Mirabilite -2.86 -4.10 -1.24 Na2SO4:10H2O - O2(g) -59.82 -62.72 -2.89 O2 - Sulfur -15.54 -10.66 4.88 S + O2(g) -59.82 -62.71 -2.89 O2 + Sulfur -15.55 -10.67 4.88 S Thenardite -3.79 -4.09 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72206,7 +71920,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.166 Charge balance - pe = -1.157 Adjusted to redox equilibrium + pe = -1.159 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11291 Density (g/cm³) = 1.00530 Volume (L) = 1.00389 @@ -72214,11 +71928,11 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.479e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.210e-17 + Total alkalinity (eq/kg) = 1.607e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.819e-14 + Electrical balance (eq) = -1.406e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.576562e+01 @@ -72230,19 +71944,18 @@ Reaction 1. OH- 2.023e-07 1.479e-07 -6.694 -6.830 -0.136 -3.61 H+ 8.427e-08 6.822e-08 -7.074 -7.166 -0.092 0.00 H2O 5.551e+01 9.971e-01 1.744 -0.001 0.000 18.07 -H(0) 1.312e-15 - H2 6.561e-16 6.789e-16 -15.183 -15.168 0.015 28.61 +H(0) 1.324e-15 + H2 6.620e-16 6.850e-16 -15.179 -15.164 0.015 28.61 Na 1.297e-01 Na+ 1.064e-01 8.118e-02 -0.973 -1.091 -0.117 -1.01 NaSO4- 2.334e-02 1.788e-02 -1.632 -1.748 -0.116 -2.86 - NaOH 1.161e-18 1.201e-18 -17.935 -17.920 0.015 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.061 -62.046 0.015 30.40 -S(-2) 6.859e-24 - HS- 4.825e-24 3.528e-24 -23.317 -23.452 -0.136 20.94 - H2S 2.034e-24 2.104e-24 -23.692 -23.677 0.015 36.27 - S-2 1.890e-29 6.246e-30 -28.724 -29.204 -0.481 (0) - (H2S)2 0.000e+00 0.000e+00 -48.647 -48.632 0.015 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.069 -62.054 0.015 30.40 +S(-2) 7.108e-24 + HS- 5.000e-24 3.656e-24 -23.301 -23.437 -0.136 20.94 + H2S 2.108e-24 2.181e-24 -23.676 -23.661 0.015 36.27 + S-2 1.958e-29 6.473e-30 -28.708 -29.189 -0.481 (0) + (H2S)2 0.000e+00 0.000e+00 -48.616 -48.601 0.015 30.09 S(6) 6.485e-02 SO4-2 4.151e-02 1.353e-02 -1.382 -1.869 -0.487 26.43 NaSO4- 2.334e-02 1.788e-02 -1.632 -1.748 -0.116 -2.86 @@ -72252,12 +71965,12 @@ S(6) 6.485e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.07 -15.17 -3.10 H2 + H2(g) -12.06 -15.16 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -22.68 -30.62 -7.94 H2S + H2S(g) -22.67 -30.60 -7.94 H2S Mirabilite -2.82 -4.06 -1.24 Na2SO4:10H2O - O2(g) -59.15 -62.05 -2.89 O2 - Sulfur -16.54 -11.66 4.88 S + O2(g) -59.16 -62.05 -2.89 O2 + Sulfur -16.53 -11.65 4.88 S Thenardite -3.75 -4.05 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72303,7 +72016,7 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.611e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.055e-17 + Total alkalinity (eq/kg) = 3.128e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.619e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -72319,19 +72032,18 @@ Reaction 1. OH- 2.065e-07 1.496e-07 -6.685 -6.825 -0.140 -3.58 H+ 8.367e-08 6.745e-08 -7.077 -7.171 -0.094 0.00 H2O 5.551e+01 9.968e-01 1.744 -0.001 0.000 18.07 -H(0) 3.068e-39 - H2 1.534e-39 1.592e-39 -38.814 -38.798 0.016 28.61 +H(0) 3.064e-39 + H2 1.532e-39 1.590e-39 -38.815 -38.799 0.016 28.61 Na 1.431e-01 Na+ 1.163e-01 8.826e-02 -0.934 -1.054 -0.120 -0.99 NaSO4- 2.675e-02 2.035e-02 -1.573 -1.691 -0.119 -2.33 - NaOH 1.272e-18 1.320e-18 -17.895 -17.879 0.016 (0) -O(0) 3.149e-15 - O2 1.575e-15 1.634e-15 -14.803 -14.787 0.016 30.40 +O(0) 3.159e-15 + O2 1.579e-15 1.639e-15 -14.802 -14.785 0.016 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.816 -117.956 -0.140 20.95 - H2S 0.000e+00 0.000e+00 -118.202 -118.186 0.016 36.27 - S-2 0.000e+00 0.000e+00 -123.210 -123.703 -0.494 (0) - (H2S)2 0.000e+00 0.000e+00 -237.666 -237.650 0.016 30.09 + HS- 0.000e+00 0.000e+00 -117.819 -117.959 -0.140 20.95 + H2S 0.000e+00 0.000e+00 -118.204 -118.188 0.016 36.27 + S-2 0.000e+00 0.000e+00 -123.212 -123.706 -0.494 (0) + (H2S)2 0.000e+00 0.000e+00 -237.671 -237.655 0.016 30.09 S(6) 7.154e-02 SO4-2 4.479e-02 1.416e-02 -1.349 -1.849 -0.500 26.91 NaSO4- 2.675e-02 2.035e-02 -1.573 -1.691 -0.119 -2.33 @@ -72384,7 +72096,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.173 Charge balance - pe = 10.652 Adjusted to redox equilibrium + pe = 10.654 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12778 Density (g/cm³) = 1.00657 Volume (L) = 1.00405 @@ -72392,7 +72104,7 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.678e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.720e-17 + Total alkalinity (eq/kg) = -4.780e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.489e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -72408,19 +72120,18 @@ Reaction 1. OH- 2.085e-07 1.504e-07 -6.681 -6.823 -0.142 -3.57 H+ 8.339e-08 6.709e-08 -7.079 -7.173 -0.094 0.00 H2O 5.551e+01 9.967e-01 1.744 -0.001 0.000 18.07 -H(0) 3.043e-39 - H2 1.521e-39 1.581e-39 -38.818 -38.801 0.017 28.61 +H(0) 3.021e-39 + H2 1.511e-39 1.570e-39 -38.821 -38.804 0.017 28.61 Na 1.499e-01 Na+ 1.214e-01 9.185e-02 -0.916 -1.037 -0.121 -0.98 NaSO4- 2.853e-02 2.164e-02 -1.545 -1.665 -0.120 -2.07 - NaOH 1.329e-18 1.381e-18 -17.877 -17.860 0.017 (0) -O(0) 3.186e-15 - O2 1.593e-15 1.656e-15 -14.798 -14.781 0.017 30.40 +O(0) 3.231e-15 + O2 1.616e-15 1.679e-15 -14.792 -14.775 0.017 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.819 -117.961 -0.142 20.96 - H2S 0.000e+00 0.000e+00 -118.209 -118.193 0.017 36.27 - S-2 0.000e+00 0.000e+00 -123.206 -123.706 -0.500 (0) - (H2S)2 0.000e+00 0.000e+00 -237.680 -237.663 0.017 30.09 + HS- 0.000e+00 0.000e+00 -117.831 -117.973 -0.142 20.96 + H2S 0.000e+00 0.000e+00 -118.222 -118.205 0.017 36.27 + S-2 0.000e+00 0.000e+00 -123.218 -123.718 -0.500 (0) + (H2S)2 0.000e+00 0.000e+00 -237.705 -237.688 0.017 30.09 S(6) 7.496e-02 SO4-2 4.643e-02 1.447e-02 -1.333 -1.839 -0.506 27.14 NaSO4- 2.853e-02 2.164e-02 -1.545 -1.665 -0.120 -2.07 @@ -72432,10 +72143,10 @@ S(6) 7.496e-02 H2(g) -35.70 -38.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -117.20 -125.13 -7.94 H2S + H2S(g) -117.21 -125.15 -7.94 H2S Mirabilite -2.69 -3.93 -1.24 Na2SO4:10H2O - O2(g) -11.89 -14.78 -2.89 O2 - Sulfur -87.42 -82.54 4.88 S + O2(g) -11.88 -14.77 -2.89 O2 + Sulfur -87.43 -82.55 4.88 S Thenardite -3.61 -3.91 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72473,7 +72184,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.175 Charge balance - pe = 10.636 Adjusted to redox equilibrium + pe = 10.637 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13070 Density (g/cm³) = 1.00683 Volume (L) = 1.00408 @@ -72481,7 +72192,7 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.718e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.629e-17 + Total alkalinity (eq/kg) = 3.903e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.411e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -72497,19 +72208,18 @@ Reaction 1. OH- 2.097e-07 1.508e-07 -6.678 -6.822 -0.143 -3.56 H+ 8.323e-08 6.688e-08 -7.080 -7.175 -0.095 0.00 H2O 5.551e+01 9.966e-01 1.744 -0.001 0.000 18.07 -H(0) 3.249e-39 - H2 1.625e-39 1.690e-39 -38.789 -38.772 0.017 28.61 +H(0) 3.241e-39 + H2 1.620e-39 1.686e-39 -38.790 -38.773 0.017 28.61 Na 1.540e-01 Na+ 1.244e-01 9.395e-02 -0.905 -1.027 -0.122 -0.97 NaSO4- 2.959e-02 2.240e-02 -1.529 -1.650 -0.121 -1.93 - NaOH 1.362e-18 1.417e-18 -17.866 -17.849 0.017 (0) -O(0) 2.786e-15 - O2 1.393e-15 1.449e-15 -14.856 -14.839 0.017 30.40 +O(0) 2.801e-15 + O2 1.400e-15 1.457e-15 -14.854 -14.837 0.017 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.698 -117.841 -0.143 20.96 - H2S 0.000e+00 0.000e+00 -118.092 -118.074 0.017 36.27 - S-2 0.000e+00 0.000e+00 -123.082 -123.585 -0.503 (0) - (H2S)2 0.000e+00 0.000e+00 -237.444 -237.427 0.017 30.09 + HS- 0.000e+00 0.000e+00 -117.703 -117.846 -0.143 20.96 + H2S 0.000e+00 0.000e+00 -118.096 -118.079 0.017 36.27 + S-2 0.000e+00 0.000e+00 -123.086 -123.589 -0.503 (0) + (H2S)2 0.000e+00 0.000e+00 -237.453 -237.436 0.017 30.09 S(6) 7.698e-02 SO4-2 4.739e-02 1.465e-02 -1.324 -1.834 -0.510 27.28 NaSO4- 2.959e-02 2.240e-02 -1.529 -1.650 -0.121 -1.93 @@ -72523,8 +72233,8 @@ S(6) 7.698e-02 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -117.08 -125.02 -7.94 H2S Mirabilite -2.66 -3.90 -1.24 Na2SO4:10H2O - O2(g) -11.95 -14.84 -2.89 O2 - Sulfur -87.33 -82.45 4.88 S + O2(g) -11.94 -14.84 -2.89 O2 + Sulfur -87.34 -82.46 4.88 S Thenardite -3.59 -3.89 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72562,7 +72272,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.182 Charge balance - pe = -1.521 Adjusted to redox equilibrium + pe = -1.523 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14726 Density (g/cm³) = 1.00828 Volume (L) = 1.00427 @@ -72570,9 +72280,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.941e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.487e-17 + Total alkalinity (eq/kg) = 3.579e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.470e-11 + Electrical balance (eq) = 1.469e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -72586,19 +72296,18 @@ Reaction 1. OH- 2.159e-07 1.532e-07 -6.666 -6.815 -0.149 -3.51 H+ 8.242e-08 6.583e-08 -7.084 -7.182 -0.098 0.00 H2O 5.551e+01 9.961e-01 1.744 -0.002 0.000 18.07 -H(0) 6.476e-15 - H2 3.238e-15 3.386e-15 -14.490 -14.470 0.019 28.61 +H(0) 6.531e-15 + H2 3.265e-15 3.415e-15 -14.486 -14.467 0.019 28.61 Na 1.772e-01 Na+ 1.414e-01 1.059e-01 -0.850 -0.975 -0.125 -0.94 NaSO4- 3.586e-02 2.689e-02 -1.445 -1.570 -0.125 -1.14 - NaOH 1.551e-18 1.622e-18 -17.809 -17.790 0.019 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.462 -63.443 0.019 30.40 -S(-2) 4.779e-21 - HS- 3.437e-21 2.438e-21 -20.464 -20.613 -0.149 20.99 - H2S 1.342e-21 1.403e-21 -20.872 -20.853 0.019 36.27 - S-2 1.486e-26 4.473e-27 -25.828 -26.349 -0.521 (0) - (H2S)2 0.000e+00 0.000e+00 -43.003 -42.984 0.019 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.469 -63.450 0.019 30.40 +S(-2) 4.941e-21 + HS- 3.554e-21 2.521e-21 -20.449 -20.598 -0.149 20.99 + H2S 1.387e-21 1.451e-21 -20.858 -20.838 0.019 36.27 + S-2 1.537e-26 4.625e-27 -25.813 -26.335 -0.521 (0) + (H2S)2 0.000e+00 0.000e+00 -42.974 -42.955 0.019 30.09 S(6) 8.861e-02 SO4-2 5.275e-02 1.559e-02 -1.278 -1.807 -0.529 28.02 NaSO4- 3.586e-02 2.689e-02 -1.445 -1.570 -0.125 -1.14 @@ -72610,10 +72319,10 @@ S(6) 8.861e-02 H2(g) -11.37 -14.47 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.86 -27.79 -7.94 H2S + H2S(g) -19.84 -27.78 -7.94 H2S Mirabilite -2.53 -3.77 -1.24 Na2SO4:10H2O - O2(g) -60.55 -63.44 -2.89 O2 - Sulfur -14.41 -9.53 4.88 S + O2(g) -60.56 -63.45 -2.89 O2 + Sulfur -14.40 -9.52 4.88 S Thenardite -3.46 -3.76 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72651,7 +72360,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.382 Adjusted to redox equilibrium + pe = -1.388 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16099 Density (g/cm³) = 1.00951 Volume (L) = 1.00443 @@ -72659,9 +72368,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.127e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.728e-16 + Total alkalinity (eq/kg) = -2.897e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.775e-10 + Electrical balance (eq) = -9.279e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -72675,19 +72384,18 @@ Reaction 1. OH- 2.206e-07 1.549e-07 -6.656 -6.810 -0.154 -3.47 H+ 8.183e-08 6.507e-08 -7.087 -7.187 -0.100 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.07 -H(0) 3.309e-15 - H2 1.655e-15 1.738e-15 -14.781 -14.760 0.021 28.61 +H(0) 3.411e-15 + H2 1.706e-15 1.791e-15 -14.768 -14.747 0.021 28.61 Na 1.970e-01 Na+ 1.556e-01 1.159e-01 -0.808 -0.936 -0.128 -0.92 NaSO4- 4.139e-02 3.080e-02 -1.383 -1.511 -0.128 -0.54 - NaOH 1.709e-18 1.795e-18 -17.767 -17.746 0.021 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.885 -62.864 0.021 30.40 -S(-2) 3.445e-22 - HS- 2.496e-22 1.752e-22 -21.603 -21.756 -0.154 21.01 - H2S 9.492e-23 9.968e-23 -22.023 -22.001 0.021 36.27 - S-2 1.116e-27 3.252e-28 -26.952 -27.488 -0.535 (0) - (H2S)2 0.000e+00 0.000e+00 -45.302 -45.281 0.021 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.911 -62.890 0.021 30.40 +S(-2) 3.891e-22 + HS- 2.819e-22 1.978e-22 -21.550 -21.704 -0.154 21.01 + H2S 1.072e-22 1.126e-22 -21.970 -21.949 0.021 36.27 + S-2 1.260e-27 3.672e-28 -26.900 -27.435 -0.535 (0) + (H2S)2 0.000e+00 0.000e+00 -45.197 -45.175 0.021 30.09 S(6) 9.850e-02 SO4-2 5.711e-02 1.632e-02 -1.243 -1.787 -0.544 28.61 NaSO4- 4.139e-02 3.080e-02 -1.383 -1.511 -0.128 -0.54 @@ -72697,12 +72405,12 @@ S(6) 9.850e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.66 -14.76 -3.10 H2 + H2(g) -11.65 -14.75 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.01 -28.94 -7.94 H2S + H2S(g) -20.95 -28.89 -7.94 H2S Mirabilite -2.44 -3.68 -1.24 Na2SO4:10H2O - O2(g) -59.97 -62.86 -2.89 O2 - Sulfur -15.27 -10.39 4.88 S + O2(g) -60.00 -62.89 -2.89 O2 + Sulfur -15.23 -10.35 4.88 S Thenardite -3.36 -3.66 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72740,7 +72448,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = 10.490 Adjusted to redox equilibrium + pe = 10.488 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16141 Density (g/cm³) = 1.00955 Volume (L) = 1.00444 @@ -72748,9 +72456,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.133e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.470e-17 + Total alkalinity (eq/kg) = 7.131e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.464e-13 + Electrical balance (eq) = 6.470e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -72764,19 +72472,18 @@ Reaction 1. OH- 2.208e-07 1.549e-07 -6.656 -6.810 -0.154 -3.47 H+ 8.181e-08 6.505e-08 -7.087 -7.187 -0.100 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.07 -H(0) 5.969e-39 - H2 2.984e-39 3.134e-39 -38.525 -38.504 0.021 28.61 +H(0) 6.027e-39 + H2 3.014e-39 3.165e-39 -38.521 -38.500 0.021 28.61 Na 1.976e-01 Na+ 1.560e-01 1.162e-01 -0.807 -0.935 -0.128 -0.91 NaSO4- 4.156e-02 3.092e-02 -1.381 -1.510 -0.128 -0.52 - NaOH 1.714e-18 1.800e-18 -17.766 -17.745 0.021 (0) -O(0) 8.009e-16 - O2 4.005e-16 4.206e-16 -15.397 -15.376 0.021 30.40 +O(0) 7.854e-16 + O2 3.927e-16 4.124e-16 -15.406 -15.385 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.577 -116.731 -0.154 21.01 - H2S 0.000e+00 0.000e+00 -116.998 -116.976 0.021 36.27 - S-2 0.000e+00 0.000e+00 -121.927 -122.462 -0.536 (0) - (H2S)2 0.000e+00 0.000e+00 -235.252 -235.231 0.021 30.09 + HS- 0.000e+00 0.000e+00 -116.560 -116.714 -0.154 21.01 + H2S 0.000e+00 0.000e+00 -116.980 -116.959 0.021 36.27 + S-2 0.000e+00 0.000e+00 -121.910 -122.445 -0.536 (0) + (H2S)2 0.000e+00 0.000e+00 -235.218 -235.197 0.021 30.09 S(6) 9.880e-02 SO4-2 5.724e-02 1.635e-02 -1.242 -1.787 -0.544 28.62 NaSO4- 4.156e-02 3.092e-02 -1.381 -1.510 -0.128 -0.52 @@ -72788,10 +72495,10 @@ S(6) 9.880e-02 H2(g) -35.40 -38.50 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -115.98 -123.92 -7.94 H2S + H2S(g) -115.96 -123.90 -7.94 H2S Mirabilite -2.43 -3.67 -1.24 Na2SO4:10H2O - O2(g) -12.48 -15.38 -2.89 O2 - Sulfur -86.50 -81.62 4.88 S + O2(g) -12.49 -15.38 -2.89 O2 + Sulfur -86.49 -81.61 4.88 S Thenardite -3.36 -3.66 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72829,7 +72536,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = 10.634 Adjusted to redox equilibrium + pe = 10.636 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16301 Density (g/cm³) = 1.00970 Volume (L) = 1.00446 @@ -72837,7 +72544,7 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.155e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.968e-17 + Total alkalinity (eq/kg) = 5.107e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 6.118e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -72853,19 +72560,18 @@ Reaction 1. OH- 2.213e-07 1.551e-07 -6.655 -6.809 -0.154 -3.47 H+ 8.175e-08 6.497e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 3.065e-39 - H2 1.532e-39 1.610e-39 -38.815 -38.793 0.022 28.61 +H(0) 3.046e-39 + H2 1.523e-39 1.600e-39 -38.817 -38.796 0.022 28.61 Na 1.999e-01 Na+ 1.577e-01 1.174e-01 -0.802 -0.930 -0.128 -0.91 NaSO4- 4.222e-02 3.139e-02 -1.374 -1.503 -0.129 -0.45 - NaOH 1.733e-18 1.821e-18 -17.761 -17.740 0.022 (0) -O(0) 3.033e-15 - O2 1.516e-15 1.594e-15 -14.819 -14.798 0.022 30.40 +O(0) 3.071e-15 + O2 1.535e-15 1.613e-15 -14.814 -14.792 0.022 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.732 -117.886 -0.154 21.01 - H2S 0.000e+00 0.000e+00 -118.154 -118.132 0.022 36.27 - S-2 0.000e+00 0.000e+00 -123.080 -123.617 -0.537 (0) - (H2S)2 0.000e+00 0.000e+00 -237.564 -237.542 0.022 30.09 + HS- 0.000e+00 0.000e+00 -117.743 -117.897 -0.154 21.01 + H2S 0.000e+00 0.000e+00 -118.164 -118.143 0.022 36.27 + S-2 0.000e+00 0.000e+00 -123.091 -123.628 -0.537 (0) + (H2S)2 0.000e+00 0.000e+00 -237.586 -237.564 0.022 30.09 S(6) 9.997e-02 SO4-2 5.775e-02 1.643e-02 -1.238 -1.784 -0.546 28.69 NaSO4- 4.222e-02 3.139e-02 -1.374 -1.503 -0.129 -0.45 @@ -72875,12 +72581,12 @@ S(6) 9.997e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.69 -38.79 -3.10 H2 + H2(g) -35.69 -38.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -117.14 -125.07 -7.94 H2S + H2S(g) -117.15 -125.08 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -11.91 -14.80 -2.89 O2 - Sulfur -87.37 -82.49 4.88 S + O2(g) -11.90 -14.79 -2.89 O2 + Sulfur -87.38 -82.50 4.88 S Thenardite -3.34 -3.65 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -72918,7 +72624,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.358 Adjusted to redox equilibrium + pe = -1.353 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16305 Density (g/cm³) = 1.00970 Volume (L) = 1.00446 @@ -72926,9 +72632,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.155e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.605e-17 + Total alkalinity (eq/kg) = 4.332e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.372e-15 + Electrical balance (eq) = 3.358e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -72942,19 +72648,18 @@ Reaction 1. OH- 2.213e-07 1.551e-07 -6.655 -6.809 -0.154 -3.47 H+ 8.175e-08 6.497e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 2.963e-15 - H2 1.482e-15 1.557e-15 -14.829 -14.808 0.022 28.61 +H(0) 2.895e-15 + H2 1.447e-15 1.521e-15 -14.839 -14.818 0.022 28.61 Na 2.000e-01 Na+ 1.578e-01 1.174e-01 -0.802 -0.930 -0.128 -0.91 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 - NaOH 1.733e-18 1.821e-18 -17.761 -17.740 0.022 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.790 -62.768 0.022 30.40 -S(-2) 2.233e-22 - HS- 1.620e-22 1.135e-22 -21.791 -21.945 -0.154 21.01 - H2S 6.136e-23 6.448e-23 -22.212 -22.191 0.022 36.27 - S-2 7.274e-28 2.111e-28 -27.138 -27.676 -0.537 (0) - (H2S)2 0.000e+00 0.000e+00 -45.681 -45.659 0.022 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.770 -62.748 0.022 30.40 +S(-2) 2.034e-22 + HS- 1.475e-22 1.034e-22 -21.831 -21.985 -0.154 21.01 + H2S 5.589e-23 5.873e-23 -22.253 -22.231 0.022 36.27 + S-2 6.625e-28 1.922e-28 -27.179 -27.716 -0.537 (0) + (H2S)2 0.000e+00 0.000e+00 -45.762 -45.740 0.022 30.09 S(6) 1.000e-01 SO4-2 5.776e-02 1.643e-02 -1.238 -1.784 -0.546 28.69 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 @@ -72964,12 +72669,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.71 -14.81 -3.10 H2 + H2(g) -11.72 -14.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.20 -29.13 -7.94 H2S + H2S(g) -21.24 -29.17 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -59.88 -62.77 -2.89 O2 - Sulfur -15.41 -10.53 4.88 S + O2(g) -59.86 -62.75 -2.89 O2 + Sulfur -15.45 -10.56 4.88 S Thenardite -3.34 -3.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73007,7 +72712,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.358 Adjusted to redox equilibrium + pe = -1.353 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16305 Density (g/cm³) = 1.00970 Volume (L) = 1.00446 @@ -73015,9 +72720,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.155e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.605e-17 + Total alkalinity (eq/kg) = 4.332e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.372e-15 + Electrical balance (eq) = 3.358e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -73031,19 +72736,18 @@ Reaction 1. OH- 2.213e-07 1.551e-07 -6.655 -6.809 -0.154 -3.47 H+ 8.175e-08 6.497e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 2.963e-15 - H2 1.482e-15 1.557e-15 -14.829 -14.808 0.022 28.61 +H(0) 2.895e-15 + H2 1.447e-15 1.521e-15 -14.839 -14.818 0.022 28.61 Na 2.000e-01 Na+ 1.578e-01 1.174e-01 -0.802 -0.930 -0.128 -0.91 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 - NaOH 1.733e-18 1.821e-18 -17.761 -17.740 0.022 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.790 -62.768 0.022 30.40 -S(-2) 2.233e-22 - HS- 1.620e-22 1.135e-22 -21.791 -21.945 -0.154 21.01 - H2S 6.136e-23 6.448e-23 -22.212 -22.191 0.022 36.27 - S-2 7.274e-28 2.111e-28 -27.138 -27.676 -0.537 (0) - (H2S)2 0.000e+00 0.000e+00 -45.681 -45.659 0.022 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.770 -62.748 0.022 30.40 +S(-2) 2.034e-22 + HS- 1.475e-22 1.034e-22 -21.831 -21.985 -0.154 21.01 + H2S 5.589e-23 5.873e-23 -22.253 -22.231 0.022 36.27 + S-2 6.625e-28 1.922e-28 -27.179 -27.716 -0.537 (0) + (H2S)2 0.000e+00 0.000e+00 -45.762 -45.740 0.022 30.09 S(6) 1.000e-01 SO4-2 5.776e-02 1.643e-02 -1.238 -1.784 -0.546 28.69 NaSO4- 4.224e-02 3.140e-02 -1.374 -1.503 -0.129 -0.45 @@ -73053,12 +72757,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.71 -14.81 -3.10 H2 + H2(g) -11.72 -14.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.20 -29.13 -7.94 H2S + H2S(g) -21.24 -29.17 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -59.88 -62.77 -2.89 O2 - Sulfur -15.41 -10.53 4.88 S + O2(g) -59.86 -62.75 -2.89 O2 + Sulfur -15.45 -10.56 4.88 S Thenardite -3.34 -3.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73096,7 +72800,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.187 Charge balance - pe = -1.392 Adjusted to redox equilibrium + pe = -1.399 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16331 Density (g/cm³) = 1.00972 Volume (L) = 1.00446 @@ -73104,9 +72808,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.159e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.906e-17 + Total alkalinity (eq/kg) = -4.533e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.114e-10 + Electrical balance (eq) = -2.458e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -73120,19 +72824,18 @@ Reaction 1. OH- 2.214e-07 1.551e-07 -6.655 -6.809 -0.154 -3.46 H+ 8.174e-08 6.495e-08 -7.088 -7.187 -0.100 0.00 H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.07 -H(0) 3.460e-15 - H2 1.730e-15 1.818e-15 -14.762 -14.740 0.022 28.61 +H(0) 3.577e-15 + H2 1.789e-15 1.880e-15 -14.748 -14.726 0.022 28.61 Na 2.004e-01 Na+ 1.580e-01 1.176e-01 -0.801 -0.930 -0.128 -0.91 NaSO4- 4.235e-02 3.148e-02 -1.373 -1.502 -0.129 -0.44 - NaOH 1.736e-18 1.825e-18 -17.760 -17.739 0.022 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.925 -62.903 0.022 30.40 -S(-2) 4.155e-22 - HS- 3.014e-22 2.112e-22 -21.521 -21.675 -0.154 21.01 - H2S 1.141e-22 1.199e-22 -21.943 -21.921 0.022 36.27 - S-2 1.354e-27 3.927e-28 -26.868 -27.406 -0.538 (0) - (H2S)2 0.000e+00 0.000e+00 -45.142 -45.120 0.022 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.954 -62.932 0.022 30.40 +S(-2) 4.748e-22 + HS- 3.444e-22 2.413e-22 -21.463 -21.617 -0.154 21.01 + H2S 1.304e-22 1.370e-22 -21.885 -21.863 0.022 36.27 + S-2 1.547e-27 4.487e-28 -26.810 -27.348 -0.538 (0) + (H2S)2 0.000e+00 0.000e+00 -45.026 -45.005 0.022 30.09 S(6) 1.002e-01 SO4-2 5.784e-02 1.644e-02 -1.238 -1.784 -0.546 28.70 NaSO4- 4.235e-02 3.148e-02 -1.373 -1.502 -0.129 -0.44 @@ -73142,12 +72845,12 @@ S(6) 1.002e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -11.62 -14.73 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -20.93 -28.86 -7.94 H2S + H2S(g) -20.87 -28.80 -7.94 H2S Mirabilite -2.42 -3.66 -1.24 Na2SO4:10H2O - O2(g) -60.01 -62.90 -2.89 O2 - Sulfur -15.21 -10.33 4.88 S + O2(g) -60.04 -62.93 -2.89 O2 + Sulfur -15.17 -10.29 4.88 S Thenardite -3.34 -3.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73185,7 +72888,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.193 Charge balance - pe = 10.497 Adjusted to redox equilibrium + pe = 10.495 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18004 Density (g/cm³) = 1.01126 Volume (L) = 1.00467 @@ -73193,9 +72896,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.387e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.756e-17 + Total alkalinity (eq/kg) = 1.766e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.390e-13 + Electrical balance (eq) = 3.393e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -73209,19 +72912,18 @@ Reaction 1. OH- 2.267e-07 1.570e-07 -6.645 -6.804 -0.160 -3.42 H+ 8.113e-08 6.415e-08 -7.091 -7.193 -0.102 0.00 H2O 5.551e+01 9.951e-01 1.744 -0.002 0.000 18.07 -H(0) 5.594e-39 - H2 2.797e-39 2.955e-39 -38.553 -38.529 0.024 28.61 +H(0) 5.652e-39 + H2 2.826e-39 2.986e-39 -38.549 -38.525 0.024 28.61 Na 2.251e-01 Na+ 1.756e-01 1.299e-01 -0.755 -0.886 -0.131 -0.88 NaSO4- 4.951e-02 3.650e-02 -1.305 -1.438 -0.132 0.24 - NaOH 1.930e-18 2.039e-18 -17.714 -17.691 0.024 (0) -O(0) 8.948e-16 - O2 4.474e-16 4.727e-16 -15.349 -15.325 0.024 30.40 +O(0) 8.765e-16 + O2 4.383e-16 4.630e-16 -15.358 -15.334 0.024 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.655 -116.815 -0.160 21.03 - H2S 0.000e+00 0.000e+00 -117.090 -117.066 0.024 36.27 - S-2 0.000e+00 0.000e+00 -121.987 -122.540 -0.553 (0) - (H2S)2 0.000e+00 0.000e+00 -235.434 -235.410 0.024 30.09 + HS- 0.000e+00 0.000e+00 -116.637 -116.797 -0.160 21.03 + H2S 0.000e+00 0.000e+00 -117.072 -117.048 0.024 36.27 + S-2 0.000e+00 0.000e+00 -121.969 -122.522 -0.553 (0) + (H2S)2 0.000e+00 0.000e+00 -235.398 -235.374 0.024 30.09 S(6) 1.126e-01 SO4-2 6.305e-02 1.727e-02 -1.200 -1.763 -0.563 29.37 NaSO4- 4.951e-02 3.650e-02 -1.305 -1.438 -0.132 0.24 @@ -73231,12 +72933,12 @@ S(6) 1.126e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.43 -38.53 -3.10 H2 + H2(g) -35.42 -38.52 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -116.07 -124.01 -7.94 H2S + H2S(g) -116.05 -123.99 -7.94 H2S Mirabilite -2.32 -3.56 -1.24 Na2SO4:10H2O - O2(g) -12.43 -15.33 -2.89 O2 - Sulfur -86.57 -81.69 4.88 S + O2(g) -12.44 -15.33 -2.89 O2 + Sulfur -86.55 -81.67 4.88 S Thenardite -3.24 -3.54 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73274,7 +72976,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.196 Charge balance - pe = -1.172 Adjusted to redox equilibrium + pe = -1.184 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 19232 Density (g/cm³) = 1.01241 Volume (L) = 1.00484 @@ -73282,11 +72984,11 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.555e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.654e-16 + Total alkalinity (eq/kg) = -3.067e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.332e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Electrical balance (eq) = 5.574e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.599358e+01 @@ -73298,19 +73000,18 @@ Reaction 1. OH- 2.303e-07 1.582e-07 -6.638 -6.801 -0.163 -3.38 H+ 8.073e-08 6.363e-08 -7.093 -7.196 -0.103 0.00 H2O 5.551e+01 9.947e-01 1.744 -0.002 0.000 18.07 -H(0) 1.192e-15 - H2 5.958e-16 6.319e-16 -15.225 -15.199 0.026 28.61 +H(0) 1.261e-15 + H2 6.305e-16 6.687e-16 -15.200 -15.175 0.026 28.61 Na 2.437e-01 Na+ 1.887e-01 1.390e-01 -0.724 -0.857 -0.133 -0.86 NaSO4- 5.502e-02 4.035e-02 -1.259 -1.394 -0.135 0.71 - NaOH 2.073e-18 2.199e-18 -17.683 -17.658 0.026 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.011 -61.986 0.026 30.40 -S(-2) 6.507e-24 - HS- 4.783e-24 3.286e-24 -23.320 -23.483 -0.163 21.05 - H2S 1.724e-24 1.828e-24 -23.764 -23.738 0.026 36.27 - S-2 2.282e-29 6.237e-30 -28.642 -29.205 -0.563 (0) - (H2S)2 0.000e+00 0.000e+00 -48.780 -48.754 0.026 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.061 -62.035 0.026 30.40 +S(-2) 8.161e-24 + HS- 5.999e-24 4.121e-24 -23.222 -23.385 -0.163 21.05 + H2S 2.162e-24 2.293e-24 -23.665 -23.640 0.026 36.27 + S-2 2.862e-29 7.822e-30 -28.543 -29.107 -0.563 (0) + (H2S)2 0.000e+00 0.000e+00 -48.583 -48.557 0.026 30.09 S(6) 1.218e-01 SO4-2 6.682e-02 1.783e-02 -1.175 -1.749 -0.574 29.85 NaSO4- 5.502e-02 4.035e-02 -1.259 -1.394 -0.135 0.71 @@ -73320,12 +73021,12 @@ S(6) 1.218e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.10 -15.20 -3.10 H2 + H2(g) -12.07 -15.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -22.74 -30.68 -7.94 H2S + H2S(g) -22.65 -30.58 -7.94 H2S Mirabilite -2.25 -3.49 -1.24 Na2SO4:10H2O - O2(g) -59.09 -61.99 -2.89 O2 - Sulfur -16.57 -11.69 4.88 S + O2(g) -59.14 -62.04 -2.89 O2 + Sulfur -16.50 -11.61 4.88 S Thenardite -3.16 -3.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73363,7 +73064,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.199 Charge balance - pe = -1.248 Adjusted to redox equilibrium + pe = -1.253 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20389 Density (g/cm³) = 1.01351 Volume (L) = 1.00499 @@ -73371,9 +73072,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.714e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.686e-17 + Total alkalinity (eq/kg) = 6.571e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.038e-13 + Electrical balance (eq) = 2.441e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -73387,19 +73088,18 @@ Reaction 1. OH- 2.335e-07 1.593e-07 -6.632 -6.798 -0.166 -3.35 H+ 8.039e-08 6.319e-08 -7.095 -7.199 -0.105 0.00 H2O 5.551e+01 9.944e-01 1.744 -0.002 0.000 18.07 -H(0) 1.664e-15 - H2 8.322e-16 8.859e-16 -15.080 -15.053 0.027 28.61 +H(0) 1.702e-15 + H2 8.512e-16 9.060e-16 -15.070 -15.043 0.027 28.61 Na 2.615e-01 Na+ 2.011e-01 1.476e-01 -0.697 -0.831 -0.134 -0.84 NaSO4- 6.041e-02 4.408e-02 -1.219 -1.356 -0.137 1.13 - NaOH 2.209e-18 2.351e-18 -17.656 -17.629 0.027 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.307 -62.280 0.027 30.40 -S(-2) 2.578e-23 - HS- 1.904e-23 1.299e-23 -22.720 -22.887 -0.166 21.06 - H2S 6.739e-24 7.174e-24 -23.171 -23.144 0.027 36.27 - S-2 9.280e-29 2.482e-29 -28.032 -28.605 -0.573 (0) - (H2S)2 0.000e+00 0.000e+00 -47.594 -47.567 0.027 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.326 -62.299 0.027 30.40 +S(-2) 2.820e-23 + HS- 2.083e-23 1.421e-23 -22.681 -22.847 -0.166 21.06 + H2S 7.374e-24 7.849e-24 -23.132 -23.105 0.027 36.27 + S-2 1.015e-28 2.716e-29 -27.993 -28.566 -0.573 (0) + (H2S)2 0.000e+00 0.000e+00 -47.516 -47.489 0.027 30.09 S(6) 1.307e-01 SO4-2 7.032e-02 1.834e-02 -1.153 -1.736 -0.584 30.28 NaSO4- 6.041e-02 4.408e-02 -1.219 -1.356 -0.137 1.13 @@ -73409,12 +73109,12 @@ S(6) 1.307e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.95 -15.05 -3.10 H2 + H2(g) -11.94 -15.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -22.15 -30.09 -7.94 H2S + H2S(g) -22.11 -30.05 -7.94 H2S Mirabilite -2.18 -3.42 -1.24 Na2SO4:10H2O - O2(g) -59.39 -62.28 -2.89 O2 - Sulfur -16.12 -11.24 4.88 S + O2(g) -59.41 -62.30 -2.89 O2 + Sulfur -16.09 -11.21 4.88 S Thenardite -3.10 -3.40 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73452,7 +73152,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.201 Charge balance - pe = -1.462 Adjusted to redox equilibrium + pe = -1.449 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21132 Density (g/cm³) = 1.01422 Volume (L) = 1.00510 @@ -73460,9 +73160,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.816e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.364e-18 + Total alkalinity (eq/kg) = 1.678e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.016e-12 + Electrical balance (eq) = 7.698e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -73476,19 +73176,18 @@ Reaction 1. OH- 2.355e-07 1.599e-07 -6.628 -6.796 -0.168 -3.33 H+ 8.019e-08 6.292e-08 -7.096 -7.201 -0.105 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 -H(0) 4.411e-15 - H2 2.206e-15 2.353e-15 -14.656 -14.628 0.028 28.61 +H(0) 4.145e-15 + H2 2.073e-15 2.212e-15 -14.683 -14.655 0.028 28.61 Na 2.730e-01 Na+ 2.091e-01 1.532e-01 -0.680 -0.815 -0.135 -0.83 NaSO4- 6.396e-02 4.653e-02 -1.194 -1.332 -0.138 1.39 - NaOH 2.296e-18 2.450e-18 -17.639 -17.611 0.028 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.157 -63.128 0.028 30.40 -S(-2) 1.303e-21 - HS- 9.655e-22 6.556e-22 -21.015 -21.183 -0.168 21.07 - H2S 3.380e-22 3.607e-22 -21.471 -21.443 0.028 36.27 - S-2 4.768e-27 1.259e-27 -26.322 -26.900 -0.578 (0) - (H2S)2 0.000e+00 0.000e+00 -44.192 -44.164 0.028 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.103 -63.075 0.028 30.40 +S(-2) 1.017e-21 + HS- 7.531e-22 5.114e-22 -21.123 -21.291 -0.168 21.07 + H2S 2.637e-22 2.813e-22 -21.579 -21.551 0.028 36.27 + S-2 3.719e-27 9.817e-28 -26.430 -27.008 -0.578 (0) + (H2S)2 0.000e+00 0.000e+00 -44.408 -44.380 0.028 30.09 S(6) 1.365e-01 SO4-2 7.255e-02 1.866e-02 -1.139 -1.729 -0.590 30.55 NaSO4- 6.396e-02 4.653e-02 -1.194 -1.332 -0.138 1.39 @@ -73498,12 +73197,12 @@ S(6) 1.365e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.53 -14.63 -3.10 H2 + H2(g) -11.55 -14.66 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -20.45 -28.38 -7.94 H2S + H2S(g) -20.56 -28.49 -7.94 H2S Mirabilite -2.14 -3.38 -1.24 Na2SO4:10H2O - O2(g) -60.24 -63.13 -2.89 O2 - Sulfur -14.85 -9.96 4.88 S + O2(g) -60.18 -63.07 -2.89 O2 + Sulfur -14.93 -10.05 4.88 S Thenardite -3.06 -3.36 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73549,9 +73248,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.868e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.672e-17 + Total alkalinity (eq/kg) = -1.272e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.567e-14 + Electrical balance (eq) = 6.570e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -73565,19 +73264,18 @@ Reaction 1. OH- 2.365e-07 1.602e-07 -6.626 -6.795 -0.169 -3.32 H+ 8.010e-08 6.279e-08 -7.096 -7.202 -0.106 0.00 H2O 5.551e+01 9.940e-01 1.744 -0.003 0.000 18.07 -H(0) 2.845e-39 - H2 1.422e-39 1.519e-39 -38.847 -38.818 0.029 28.61 +H(0) 2.843e-39 + H2 1.421e-39 1.518e-39 -38.847 -38.819 0.029 28.61 Na 2.789e-01 Na+ 2.131e-01 1.560e-01 -0.671 -0.807 -0.135 -0.83 NaSO4- 6.577e-02 4.778e-02 -1.182 -1.321 -0.139 1.52 - NaOH 2.340e-18 2.499e-18 -17.631 -17.602 0.029 (0) -O(0) 3.340e-15 - O2 1.670e-15 1.784e-15 -14.777 -14.749 0.029 30.40 +O(0) 3.344e-15 + O2 1.672e-15 1.786e-15 -14.777 -14.748 0.029 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.771 -117.940 -0.169 21.08 - H2S 0.000e+00 0.000e+00 -118.229 -118.201 0.029 36.27 - S-2 0.000e+00 0.000e+00 -123.075 -123.656 -0.581 (0) - (H2S)2 0.000e+00 0.000e+00 -237.708 -237.680 0.029 30.09 + HS- 0.000e+00 0.000e+00 -117.772 -117.942 -0.169 21.08 + H2S 0.000e+00 0.000e+00 -118.231 -118.202 0.029 36.27 + S-2 0.000e+00 0.000e+00 -123.076 -123.657 -0.581 (0) + (H2S)2 0.000e+00 0.000e+00 -237.711 -237.682 0.029 30.09 S(6) 1.394e-01 SO4-2 7.366e-02 1.882e-02 -1.133 -1.725 -0.593 30.69 NaSO4- 6.577e-02 4.778e-02 -1.182 -1.321 -0.139 1.52 @@ -73592,7 +73290,7 @@ S(6) 1.394e-01 H2S(g) -117.21 -125.14 -7.94 H2S Mirabilite -2.13 -3.37 -1.24 Na2SO4:10H2O O2(g) -11.86 -14.75 -2.89 O2 - Sulfur -87.41 -82.53 4.88 S + Sulfur -87.42 -82.53 4.88 S Thenardite -3.04 -3.34 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73630,7 +73328,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.205 Charge balance - pe = 10.544 Adjusted to redox equilibrium + pe = 10.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 22837 Density (g/cm³) = 1.01588 Volume (L) = 1.00534 @@ -73638,9 +73336,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 3.052e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.490e-17 + Total alkalinity (eq/kg) = 1.482e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.653e-14 + Electrical balance (eq) = 2.656e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -73654,19 +73352,18 @@ Reaction 1. OH- 2.398e-07 1.613e-07 -6.620 -6.792 -0.172 -3.28 H+ 7.978e-08 6.236e-08 -7.098 -7.205 -0.107 0.00 H2O 5.551e+01 9.936e-01 1.744 -0.003 0.000 18.07 -H(0) 4.196e-39 - H2 2.098e-39 2.251e-39 -38.678 -38.648 0.031 28.61 +H(0) 4.237e-39 + H2 2.118e-39 2.273e-39 -38.674 -38.643 0.031 28.61 Na 3.000e-01 Na+ 2.276e-01 1.661e-01 -0.643 -0.780 -0.137 -0.81 NaSO4- 7.240e-02 5.232e-02 -1.140 -1.281 -0.141 1.97 - NaOH 2.497e-18 2.678e-18 -17.603 -17.572 0.031 (0) -O(0) 1.514e-15 - O2 7.572e-16 8.123e-16 -15.121 -15.090 0.031 30.40 +O(0) 1.485e-15 + O2 7.427e-16 7.968e-16 -15.129 -15.099 0.031 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.075 -117.248 -0.172 21.09 - H2S 0.000e+00 0.000e+00 -117.542 -117.511 0.031 36.27 - S-2 0.000e+00 0.000e+00 -122.370 -122.961 -0.591 (0) - (H2S)2 0.000e+00 0.000e+00 -236.331 -236.301 0.031 30.09 + HS- 0.000e+00 0.000e+00 -117.059 -117.231 -0.172 21.09 + H2S 0.000e+00 0.000e+00 -117.525 -117.494 0.031 36.27 + S-2 0.000e+00 0.000e+00 -122.353 -122.944 -0.591 (0) + (H2S)2 0.000e+00 0.000e+00 -236.298 -236.267 0.031 30.09 S(6) 1.500e-01 SO4-2 7.760e-02 1.935e-02 -1.110 -1.713 -0.603 31.16 NaSO4- 7.240e-02 5.232e-02 -1.140 -1.281 -0.141 1.97 @@ -73676,12 +73373,12 @@ S(6) 1.500e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.55 -38.65 -3.10 H2 + H2(g) -35.54 -38.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -116.52 -124.45 -7.94 H2S + H2S(g) -116.50 -124.44 -7.94 H2S Mirabilite -2.06 -3.30 -1.24 Na2SO4:10H2O - O2(g) -12.20 -15.09 -2.89 O2 - Sulfur -86.90 -82.01 4.88 S + O2(g) -12.21 -15.10 -2.89 O2 + Sulfur -86.88 -82.00 4.88 S Thenardite -2.97 -3.27 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73719,7 +73416,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.208 Charge balance - pe = 10.625 Adjusted to redox equilibrium + pe = 10.627 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24122 Density (g/cm³) = 1.01715 Volume (L) = 1.00553 @@ -73727,7 +73424,7 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.231e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.147e-17 + Total alkalinity (eq/kg) = 6.193e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 6.495e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -73743,19 +73440,18 @@ Reaction 1. OH- 2.429e-07 1.622e-07 -6.615 -6.790 -0.175 -3.25 H+ 7.950e-08 6.198e-08 -7.100 -7.208 -0.108 0.00 H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.07 -H(0) 2.833e-39 - H2 1.416e-39 1.526e-39 -38.849 -38.817 0.032 28.61 +H(0) 2.809e-39 + H2 1.405e-39 1.513e-39 -38.852 -38.820 0.032 28.61 Na 3.207e-01 Na+ 2.417e-01 1.759e-01 -0.617 -0.755 -0.138 -0.79 NaSO4- 7.901e-02 5.684e-02 -1.102 -1.245 -0.143 2.39 - NaOH 2.649e-18 2.853e-18 -17.577 -17.545 0.032 (0) -O(0) 3.279e-15 - O2 1.640e-15 1.766e-15 -14.785 -14.753 0.032 30.40 +O(0) 3.335e-15 + O2 1.667e-15 1.796e-15 -14.778 -14.746 0.032 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.739 -117.914 -0.175 21.11 - H2S 0.000e+00 0.000e+00 -118.213 -118.180 0.032 36.27 - S-2 0.000e+00 0.000e+00 -123.025 -123.624 -0.600 (0) - (H2S)2 0.000e+00 0.000e+00 -237.671 -237.639 0.032 30.09 + HS- 0.000e+00 0.000e+00 -117.753 -117.929 -0.175 21.11 + H2S 0.000e+00 0.000e+00 -118.227 -118.195 0.032 36.27 + S-2 0.000e+00 0.000e+00 -123.039 -123.639 -0.600 (0) + (H2S)2 0.000e+00 0.000e+00 -237.700 -237.668 0.032 30.09 S(6) 1.604e-01 SO4-2 8.136e-02 1.985e-02 -1.090 -1.702 -0.613 31.60 NaSO4- 7.901e-02 5.684e-02 -1.102 -1.245 -0.143 2.39 @@ -73767,10 +73463,10 @@ S(6) 1.604e-01 H2(g) -35.72 -38.82 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -117.19 -125.12 -7.94 H2S + H2S(g) -117.20 -125.14 -7.94 H2S Mirabilite -2.00 -3.24 -1.24 Na2SO4:10H2O - O2(g) -11.86 -14.75 -2.89 O2 - Sulfur -87.40 -82.51 4.88 S + O2(g) -11.85 -14.75 -2.89 O2 + Sulfur -87.41 -82.52 4.88 S Thenardite -2.91 -3.21 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73808,7 +73504,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.210 Charge balance - pe = 10.604 Adjusted to redox equilibrium + pe = 10.603 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25057 Density (g/cm³) = 1.01808 Volume (L) = 1.00568 @@ -73816,7 +73512,7 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 3.361e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.056e-17 + Total alkalinity (eq/kg) = -2.295e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.027e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -73832,19 +73528,18 @@ Reaction 1. OH- 2.450e-07 1.628e-07 -6.611 -6.788 -0.177 -3.22 H+ 7.932e-08 6.172e-08 -7.101 -7.210 -0.109 0.00 H2O 5.551e+01 9.929e-01 1.744 -0.003 0.000 18.07 -H(0) 3.089e-39 - H2 1.544e-39 1.669e-39 -38.811 -38.778 0.034 28.61 +H(0) 3.112e-39 + H2 1.556e-39 1.681e-39 -38.808 -38.774 0.034 28.61 Na 3.360e-01 Na+ 2.521e-01 1.831e-01 -0.598 -0.737 -0.139 -0.78 NaSO4- 8.395e-02 6.020e-02 -1.076 -1.220 -0.144 2.68 - NaOH 2.759e-18 2.981e-18 -17.559 -17.526 0.034 (0) -O(0) 2.732e-15 - O2 1.366e-15 1.476e-15 -14.865 -14.831 0.034 30.40 +O(0) 2.691e-15 + O2 1.346e-15 1.454e-15 -14.871 -14.837 0.034 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.575 -117.752 -0.177 21.12 - H2S 0.000e+00 0.000e+00 -118.054 -118.020 0.034 36.27 - S-2 0.000e+00 0.000e+00 -122.855 -123.461 -0.606 (0) - (H2S)2 0.000e+00 0.000e+00 -237.352 -237.319 0.034 30.09 + HS- 0.000e+00 0.000e+00 -117.562 -117.739 -0.177 21.12 + H2S 0.000e+00 0.000e+00 -118.041 -118.007 0.034 36.27 + S-2 0.000e+00 0.000e+00 -122.842 -123.448 -0.606 (0) + (H2S)2 0.000e+00 0.000e+00 -237.326 -237.293 0.034 30.09 S(6) 1.680e-01 SO4-2 8.406e-02 2.020e-02 -1.075 -1.695 -0.619 31.91 NaSO4- 8.395e-02 6.020e-02 -1.076 -1.220 -0.144 2.68 @@ -73854,12 +73549,12 @@ S(6) 1.680e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.68 -38.78 -3.10 H2 + H2(g) -35.67 -38.77 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -117.03 -124.96 -7.94 H2S + H2S(g) -117.01 -124.95 -7.94 H2S Mirabilite -1.96 -3.20 -1.24 Na2SO4:10H2O - O2(g) -11.94 -14.83 -2.89 O2 - Sulfur -87.27 -82.39 4.88 S + O2(g) -11.95 -14.84 -2.89 O2 + Sulfur -87.26 -82.38 4.88 S Thenardite -2.87 -3.17 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73897,7 +73592,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.212 Charge balance - pe = 10.521 Adjusted to redox equilibrium + pe = 10.525 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 26486 Density (g/cm³) = 1.01953 Volume (L) = 1.00590 @@ -73905,9 +73600,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.562e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.605e-18 + Total alkalinity (eq/kg) = 1.462e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.357e-15 + Electrical balance (eq) = -5.440e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -73921,19 +73616,18 @@ Reaction 1. OH- 2.481e-07 1.637e-07 -6.605 -6.786 -0.181 -3.19 H+ 7.906e-08 6.136e-08 -7.102 -7.212 -0.110 0.00 H2O 5.551e+01 9.924e-01 1.744 -0.003 0.000 18.07 -H(0) 4.466e-39 - H2 2.233e-39 2.424e-39 -38.651 -38.615 0.036 28.61 +H(0) 4.379e-39 + H2 2.190e-39 2.377e-39 -38.660 -38.624 0.036 28.61 Na 3.597e-01 Na+ 2.680e-01 1.942e-01 -0.572 -0.712 -0.140 -0.76 NaSO4- 9.172e-02 6.546e-02 -1.038 -1.184 -0.146 3.11 - NaOH 2.929e-18 3.179e-18 -17.533 -17.498 0.036 (0) -O(0) 1.287e-15 - O2 6.437e-16 6.987e-16 -15.191 -15.156 0.036 30.40 +O(0) 1.339e-15 + O2 6.695e-16 7.268e-16 -15.174 -15.139 0.036 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.914 -117.095 -0.181 21.14 - H2S 0.000e+00 0.000e+00 -117.401 -117.365 0.036 36.27 - S-2 0.000e+00 0.000e+00 -122.186 -122.800 -0.615 (0) - (H2S)2 0.000e+00 0.000e+00 -236.044 -236.008 0.036 30.09 + HS- 0.000e+00 0.000e+00 -116.948 -117.129 -0.181 21.14 + H2S 0.000e+00 0.000e+00 -117.435 -117.399 0.036 36.27 + S-2 0.000e+00 0.000e+00 -122.220 -122.835 -0.615 (0) + (H2S)2 0.000e+00 0.000e+00 -236.112 -236.077 0.036 30.09 S(6) 1.799e-01 NaSO4- 9.172e-02 6.546e-02 -1.038 -1.184 -0.146 3.11 SO4-2 8.815e-02 2.071e-02 -1.055 -1.684 -0.629 32.38 @@ -73943,12 +73637,12 @@ S(6) 1.799e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.51 -38.62 -3.10 H2 + H2(g) -35.52 -38.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -116.37 -124.31 -7.94 H2S + H2S(g) -116.40 -124.34 -7.94 H2S Mirabilite -1.90 -3.14 -1.24 Na2SO4:10H2O - O2(g) -12.26 -15.16 -2.89 O2 - Sulfur -86.78 -81.90 4.88 S + O2(g) -12.25 -15.14 -2.89 O2 + Sulfur -86.81 -81.93 4.88 S Thenardite -2.81 -3.11 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -73986,7 +73680,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.215 Charge balance - pe = -1.382 Adjusted to redox equilibrium + pe = -1.368 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 28358 Density (g/cm³) = 1.02146 Volume (L) = 1.00621 @@ -73994,9 +73688,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.826e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.331e-17 + Total alkalinity (eq/kg) = 9.342e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.978e-11 + Electrical balance (eq) = -2.168e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74010,19 +73704,18 @@ Reaction 1. OH- 2.519e-07 1.647e-07 -6.599 -6.783 -0.184 -3.14 H+ 7.878e-08 6.093e-08 -7.104 -7.215 -0.112 0.00 H2O 5.551e+01 9.918e-01 1.744 -0.004 0.000 18.07 -H(0) 2.795e-15 - H2 1.397e-15 1.526e-15 -14.855 -14.816 0.038 28.61 +H(0) 2.622e-15 + H2 1.311e-15 1.432e-15 -14.882 -14.844 0.038 28.61 Na 3.914e-01 Na+ 2.891e-01 2.089e-01 -0.539 -0.680 -0.141 -0.73 NaSO4- 1.023e-01 7.259e-02 -0.990 -1.139 -0.149 3.65 - NaOH 3.152e-18 3.442e-18 -17.501 -17.463 0.038 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.793 -62.754 0.038 30.40 -S(-2) 2.614e-22 - HS- 1.981e-22 1.296e-22 -21.703 -21.887 -0.184 21.16 - H2S 6.323e-23 6.905e-23 -22.199 -22.161 0.038 36.27 - S-2 1.086e-27 2.569e-28 -26.964 -27.590 -0.626 (0) - (H2S)2 0.000e+00 0.000e+00 -45.638 -45.600 0.038 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.737 -62.699 0.038 30.40 +S(-2) 2.027e-22 + HS- 1.536e-22 1.005e-22 -21.813 -21.998 -0.184 21.16 + H2S 4.903e-23 5.354e-23 -22.310 -22.271 0.038 36.27 + S-2 8.418e-28 1.992e-28 -27.075 -27.701 -0.626 (0) + (H2S)2 0.000e+00 0.000e+00 -45.859 -45.821 0.038 30.09 S(6) 1.957e-01 NaSO4- 1.023e-01 7.259e-02 -0.990 -1.139 -0.149 3.65 SO4-2 9.343e-02 2.134e-02 -1.030 -1.671 -0.641 32.98 @@ -74032,12 +73725,12 @@ S(6) 1.957e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.72 -14.82 -3.10 H2 + H2(g) -11.74 -14.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -21.17 -29.10 -7.94 H2S + H2S(g) -21.28 -29.21 -7.94 H2S Mirabilite -1.83 -3.07 -1.24 Na2SO4:10H2O - O2(g) -59.86 -62.75 -2.89 O2 - Sulfur -15.38 -10.49 4.88 S + O2(g) -59.81 -62.70 -2.89 O2 + Sulfur -15.46 -10.58 4.88 S Thenardite -2.73 -3.03 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74075,7 +73768,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.216 Charge balance - pe = 10.356 Adjusted to redox equilibrium + pe = 10.382 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 28799 Density (g/cm³) = 1.02192 Volume (L) = 1.00628 @@ -74083,9 +73776,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.888e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.578e-17 + Total alkalinity (eq/kg) = -3.276e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.108e-15 + Electrical balance (eq) = -4.330e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74099,19 +73792,18 @@ Reaction 1. OH- 2.527e-07 1.650e-07 -6.597 -6.783 -0.185 -3.13 H+ 7.871e-08 6.084e-08 -7.104 -7.216 -0.112 0.00 H2O 5.551e+01 9.916e-01 1.744 -0.004 0.000 18.07 -H(0) 9.298e-39 - H2 4.649e-39 5.084e-39 -38.333 -38.294 0.039 28.61 +H(0) 8.236e-39 + H2 4.118e-39 4.503e-39 -38.385 -38.346 0.039 28.61 Na 3.990e-01 Na+ 2.942e-01 2.124e-01 -0.531 -0.673 -0.141 -0.73 NaSO4- 1.048e-01 7.430e-02 -0.979 -1.129 -0.150 3.77 - NaOH 3.204e-18 3.504e-18 -17.494 -17.455 0.039 (0) -O(0) 2.900e-16 - O2 1.450e-16 1.586e-16 -15.839 -15.800 0.039 30.40 +O(0) 3.696e-16 + O2 1.848e-16 2.021e-16 -15.733 -15.694 0.039 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -115.609 -115.794 -0.185 21.16 - H2S 0.000e+00 0.000e+00 -116.107 -116.068 0.039 36.27 - S-2 0.000e+00 0.000e+00 -120.868 -121.496 -0.628 (0) - (H2S)2 0.000e+00 0.000e+00 -233.453 -233.415 0.039 30.09 + HS- 0.000e+00 0.000e+00 -115.820 -116.005 -0.185 21.16 + H2S 0.000e+00 0.000e+00 -116.318 -116.279 0.039 36.27 + S-2 0.000e+00 0.000e+00 -121.079 -121.707 -0.628 (0) + (H2S)2 0.000e+00 0.000e+00 -233.875 -233.836 0.039 30.09 S(6) 1.995e-01 NaSO4- 1.048e-01 7.430e-02 -0.979 -1.129 -0.150 3.77 SO4-2 9.466e-02 2.149e-02 -1.024 -1.668 -0.644 33.12 @@ -74121,12 +73813,12 @@ S(6) 1.995e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.19 -38.29 -3.10 H2 + H2(g) -35.25 -38.35 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -115.07 -123.01 -7.94 H2S + H2S(g) -115.28 -123.22 -7.94 H2S Mirabilite -1.81 -3.05 -1.24 Na2SO4:10H2O - O2(g) -12.91 -15.80 -2.89 O2 - Sulfur -85.81 -80.92 4.88 S + O2(g) -12.80 -15.69 -2.89 O2 + Sulfur -85.96 -81.08 4.88 S Thenardite -2.71 -3.01 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74164,7 +73856,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.216 Charge balance - pe = 10.468 Adjusted to redox equilibrium + pe = 10.463 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29077 Density (g/cm³) = 1.02221 Volume (L) = 1.00633 @@ -74172,9 +73864,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.928e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.746e-17 + Total alkalinity (eq/kg) = 1.141e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.803e-15 + Electrical balance (eq) = -3.747e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74188,19 +73880,18 @@ Reaction 1. OH- 2.532e-07 1.651e-07 -6.596 -6.782 -0.186 -3.12 H+ 7.868e-08 6.079e-08 -7.104 -7.216 -0.112 0.00 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 18.07 -H(0) 5.534e-39 - H2 2.767e-39 3.029e-39 -38.558 -38.519 0.039 28.61 +H(0) 5.675e-39 + H2 2.838e-39 3.106e-39 -38.547 -38.508 0.039 28.61 Na 4.038e-01 Na+ 2.973e-01 2.146e-01 -0.527 -0.668 -0.142 -0.72 NaSO4- 1.065e-01 7.539e-02 -0.973 -1.123 -0.150 3.85 - NaOH 3.237e-18 3.544e-18 -17.490 -17.451 0.039 (0) -O(0) 8.163e-16 - O2 4.081e-16 4.468e-16 -15.389 -15.350 0.039 30.40 +O(0) 7.760e-16 + O2 3.880e-16 4.247e-16 -15.411 -15.372 0.039 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.507 -116.692 -0.186 21.16 - H2S 0.000e+00 0.000e+00 -117.006 -116.967 0.039 36.27 - S-2 0.000e+00 0.000e+00 -121.764 -122.394 -0.630 (0) - (H2S)2 0.000e+00 0.000e+00 -235.251 -235.212 0.039 30.09 + HS- 0.000e+00 0.000e+00 -116.463 -116.648 -0.186 21.16 + H2S 0.000e+00 0.000e+00 -116.962 -116.923 0.039 36.27 + S-2 0.000e+00 0.000e+00 -121.720 -122.350 -0.630 (0) + (H2S)2 0.000e+00 0.000e+00 -235.164 -235.124 0.039 30.09 S(6) 2.019e-01 NaSO4- 1.065e-01 7.539e-02 -0.973 -1.123 -0.150 3.85 SO4-2 9.543e-02 2.158e-02 -1.020 -1.666 -0.646 33.21 @@ -74210,12 +73901,12 @@ S(6) 2.019e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.42 -38.52 -3.10 H2 + H2(g) -35.41 -38.51 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -115.97 -123.91 -7.94 H2S + H2S(g) -115.93 -123.86 -7.94 H2S Mirabilite -1.80 -3.04 -1.24 Na2SO4:10H2O - O2(g) -12.46 -15.35 -2.89 O2 - Sulfur -86.48 -81.60 4.88 S + O2(g) -12.48 -15.37 -2.89 O2 + Sulfur -86.45 -81.57 4.88 S Thenardite -2.70 -3.00 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74253,7 +73944,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.216 Charge balance - pe = 10.597 Adjusted to redox equilibrium + pe = 10.596 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29213 Density (g/cm³) = 1.02235 Volume (L) = 1.00635 @@ -74261,9 +73952,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 3.947e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.881e-17 + Total alkalinity (eq/kg) = 8.184e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.358e-15 + Electrical balance (eq) = -3.525e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74277,19 +73968,18 @@ Reaction 1. OH- 2.535e-07 1.652e-07 -6.596 -6.782 -0.186 -3.12 H+ 7.866e-08 6.076e-08 -7.104 -7.216 -0.112 0.00 H2O 5.551e+01 9.915e-01 1.744 -0.004 0.000 18.07 -H(0) 3.059e-39 - H2 1.529e-39 1.675e-39 -38.816 -38.776 0.039 28.61 +H(0) 3.073e-39 + H2 1.536e-39 1.683e-39 -38.814 -38.774 0.039 28.61 Na 4.062e-01 Na+ 2.989e-01 2.157e-01 -0.524 -0.666 -0.142 -0.72 NaSO4- 1.073e-01 7.592e-02 -0.970 -1.120 -0.150 3.89 - NaOH 3.254e-18 3.563e-18 -17.488 -17.448 0.039 (0) -O(0) 2.668e-15 - O2 1.334e-15 1.461e-15 -14.875 -14.835 0.039 30.40 +O(0) 2.644e-15 + O2 1.322e-15 1.448e-15 -14.879 -14.839 0.039 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.535 -117.721 -0.186 21.17 - H2S 0.000e+00 0.000e+00 -118.035 -117.996 0.039 36.27 - S-2 0.000e+00 0.000e+00 -122.792 -123.422 -0.631 (0) - (H2S)2 0.000e+00 0.000e+00 -237.309 -237.269 0.039 30.09 + HS- 0.000e+00 0.000e+00 -117.527 -117.713 -0.186 21.17 + H2S 0.000e+00 0.000e+00 -118.027 -117.988 0.039 36.27 + S-2 0.000e+00 0.000e+00 -122.784 -123.414 -0.631 (0) + (H2S)2 0.000e+00 0.000e+00 -237.293 -237.253 0.039 30.09 S(6) 2.031e-01 NaSO4- 1.073e-01 7.592e-02 -0.970 -1.120 -0.150 3.89 SO4-2 9.581e-02 2.162e-02 -1.019 -1.665 -0.647 33.25 @@ -74299,12 +73989,12 @@ S(6) 2.031e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.78 -3.10 H2 + H2(g) -35.67 -38.77 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -117.00 -124.94 -7.94 H2S + H2S(g) -116.99 -124.93 -7.94 H2S Mirabilite -1.79 -3.03 -1.24 Na2SO4:10H2O - O2(g) -11.94 -14.84 -2.89 O2 - Sulfur -87.25 -82.37 4.88 S + O2(g) -11.95 -14.84 -2.89 O2 + Sulfur -87.25 -82.36 4.88 S Thenardite -2.70 -3.00 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74342,7 +74032,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.221 Charge balance - pe = -1.257 Adjusted to redox equilibrium + pe = -1.284 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 32894 Density (g/cm³) = 1.02628 Volume (L) = 1.00700 @@ -74350,11 +74040,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.474e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.262e-17 + Total alkalinity (eq/kg) = 1.912e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.724e-10 + Electrical balance (eq) = -4.243e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.644862e+01 @@ -74366,19 +74056,18 @@ Reaction 1. OH- 2.600e-07 1.667e-07 -6.585 -6.778 -0.193 -3.02 H+ 7.825e-08 6.010e-08 -7.107 -7.221 -0.115 0.00 H2O 5.551e+01 9.902e-01 1.744 -0.004 0.000 18.07 -H(0) 1.505e-15 - H2 7.524e-16 8.341e-16 -15.124 -15.079 0.045 28.61 +H(0) 1.708e-15 + H2 8.538e-16 9.465e-16 -15.069 -15.024 0.045 28.61 Na 4.712e-01 Na+ 3.415e-01 2.456e-01 -0.467 -0.610 -0.143 -0.67 NaSO4- 1.297e-01 9.089e-02 -0.887 -1.041 -0.154 4.87 - NaOH 3.694e-18 4.095e-18 -17.433 -17.388 0.045 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.276 -62.231 0.045 30.40 -S(-2) 2.487e-23 - HS- 1.907e-23 1.224e-23 -22.720 -22.912 -0.193 21.20 - H2S 5.800e-24 6.430e-24 -23.237 -23.192 0.045 36.27 - S-2 1.099e-28 2.459e-29 -27.959 -28.609 -0.650 (0) - (H2S)2 0.000e+00 0.000e+00 -47.707 -47.662 0.045 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.386 -62.341 0.045 30.40 +S(-2) 4.125e-23 + HS- 3.163e-23 2.029e-23 -22.500 -22.693 -0.193 21.20 + H2S 9.618e-24 1.066e-23 -23.017 -22.972 0.045 36.27 + S-2 1.822e-28 4.077e-29 -27.739 -28.390 -0.650 (0) + (H2S)2 0.000e+00 0.000e+00 -47.267 -47.223 0.045 30.09 S(6) 2.356e-01 NaSO4- 1.297e-01 9.089e-02 -0.887 -1.041 -0.154 4.87 SO4-2 1.059e-01 2.274e-02 -0.975 -1.643 -0.668 34.36 @@ -74388,12 +74077,12 @@ S(6) 2.356e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.98 -15.08 -3.10 H2 + H2(g) -11.92 -15.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -22.20 -30.13 -7.94 H2S + H2S(g) -21.98 -29.91 -7.94 H2S Mirabilite -1.67 -2.91 -1.24 Na2SO4:10H2O - O2(g) -59.34 -62.23 -2.89 O2 - Sulfur -16.15 -11.26 4.88 S + O2(g) -59.45 -62.34 -2.89 O2 + Sulfur -15.98 -11.10 4.88 S Thenardite -2.56 -2.86 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74431,7 +74120,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.222 Charge balance - pe = -1.418 Adjusted to redox equilibrium + pe = -1.419 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33459 Density (g/cm³) = 1.02689 Volume (L) = 1.00711 @@ -74439,9 +74128,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.555e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.410e-17 + Total alkalinity (eq/kg) = 3.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.979e-12 + Electrical balance (eq) = -3.529e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74455,19 +74144,18 @@ Reaction 1. OH- 2.609e-07 1.670e-07 -6.584 -6.777 -0.194 -3.00 H+ 7.820e-08 6.002e-08 -7.107 -7.222 -0.115 0.00 H2O 5.551e+01 9.900e-01 1.744 -0.004 0.000 18.07 -H(0) 3.152e-15 - H2 1.576e-15 1.750e-15 -14.802 -14.757 0.046 28.61 +H(0) 3.162e-15 + H2 1.581e-15 1.756e-15 -14.801 -14.755 0.046 28.61 Na 4.814e-01 Na+ 3.481e-01 2.502e-01 -0.458 -0.602 -0.143 -0.67 NaSO4- 1.333e-01 9.327e-02 -0.875 -1.030 -0.155 5.01 - NaOH 3.762e-18 4.178e-18 -17.425 -17.379 0.046 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.921 -62.875 0.046 30.40 -S(-2) 4.861e-22 - HS- 3.732e-22 2.388e-22 -21.428 -21.622 -0.194 21.21 - H2S 1.129e-22 1.253e-22 -21.947 -21.902 0.046 36.27 - S-2 2.162e-27 4.807e-28 -26.665 -27.318 -0.653 (0) - (H2S)2 0.000e+00 0.000e+00 -45.128 -45.082 0.046 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.923 -62.878 0.046 30.40 +S(-2) 4.924e-22 + HS- 3.781e-22 2.420e-22 -21.422 -21.616 -0.194 21.21 + H2S 1.143e-22 1.270e-22 -21.942 -21.896 0.046 36.27 + S-2 2.190e-27 4.869e-28 -26.660 -27.313 -0.653 (0) + (H2S)2 0.000e+00 0.000e+00 -45.116 -45.071 0.046 30.09 S(6) 2.407e-01 NaSO4- 1.333e-01 9.327e-02 -0.875 -1.030 -0.155 5.01 SO4-2 1.074e-01 2.290e-02 -0.969 -1.640 -0.671 34.53 @@ -74477,12 +74165,12 @@ S(6) 2.407e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.66 -14.76 -3.10 H2 + H2(g) -11.65 -14.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -20.91 -28.84 -7.94 H2S + H2S(g) -20.90 -28.84 -7.94 H2S Mirabilite -1.65 -2.89 -1.24 Na2SO4:10H2O - O2(g) -59.98 -62.88 -2.89 O2 - Sulfur -15.18 -10.30 4.88 S + O2(g) -59.99 -62.88 -2.89 O2 + Sulfur -15.17 -10.29 4.88 S Thenardite -2.54 -2.84 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74520,7 +74208,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.224 Charge balance - pe = -1.292 Adjusted to redox equilibrium + pe = -1.340 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 35804 Density (g/cm³) = 1.02948 Volume (L) = 1.00756 @@ -74528,11 +74216,11 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 4.896e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.724e-17 + Total alkalinity (eq/kg) = 3.148e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.811e-10 + Electrical balance (eq) = -5.910e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.655542e+01 @@ -74544,19 +74232,18 @@ Reaction 1. OH- 2.645e-07 1.677e-07 -6.578 -6.775 -0.198 -2.94 H+ 7.802e-08 5.969e-08 -7.108 -7.224 -0.116 0.00 H2O 5.551e+01 9.891e-01 1.744 -0.005 0.000 18.07 -H(0) 1.730e-15 - H2 8.649e-16 9.681e-16 -15.063 -15.014 0.049 28.61 +H(0) 2.161e-15 + H2 1.081e-15 1.209e-15 -14.966 -14.917 0.049 28.61 Na 5.246e-01 Na+ 3.760e-01 2.698e-01 -0.425 -0.569 -0.144 -0.64 NaSO4- 1.486e-01 1.034e-01 -0.828 -0.985 -0.158 5.59 - NaOH 4.043e-18 4.526e-18 -17.393 -17.344 0.049 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.410 -62.361 0.049 30.40 -S(-2) 4.684e-23 - HS- 3.615e-23 2.293e-23 -22.442 -22.640 -0.198 21.23 - H2S 1.069e-23 1.197e-23 -22.971 -22.922 0.049 36.27 - S-2 2.141e-28 4.639e-29 -27.669 -28.334 -0.664 (0) - (H2S)2 0.000e+00 0.000e+00 -47.171 -47.122 0.049 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.604 -62.555 0.049 30.40 +S(-2) 1.141e-22 + HS- 8.807e-23 5.585e-23 -22.055 -22.253 -0.198 21.23 + H2S 2.604e-23 2.915e-23 -22.584 -22.535 0.049 36.27 + S-2 5.216e-28 1.130e-28 -27.283 -27.947 -0.664 (0) + (H2S)2 0.000e+00 0.000e+00 -46.398 -46.349 0.049 30.09 S(6) 2.623e-01 NaSO4- 1.486e-01 1.034e-01 -0.828 -0.985 -0.158 5.59 SO4-2 1.137e-01 2.354e-02 -0.944 -1.628 -0.684 35.20 @@ -74566,12 +74253,12 @@ S(6) 2.623e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.91 -15.01 -3.10 H2 + H2(g) -11.82 -14.92 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -21.93 -29.86 -7.94 H2S + H2S(g) -21.54 -29.48 -7.94 H2S Mirabilite -1.57 -2.81 -1.24 Na2SO4:10H2O - O2(g) -59.47 -62.36 -2.89 O2 - Sulfur -15.94 -11.06 4.88 S + O2(g) -59.66 -62.55 -2.89 O2 + Sulfur -15.65 -10.77 4.88 S Thenardite -2.47 -2.77 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74609,7 +74296,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.227 Charge balance - pe = -1.544 Adjusted to redox equilibrium + pe = -1.530 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39947 Density (g/cm³) = 1.03419 Volume (L) = 1.00840 @@ -74617,9 +74304,9 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 5.507e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.295e-17 + Total alkalinity (eq/kg) = 1.360e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.474e-14 + Electrical balance (eq) = 5.856e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74633,19 +74320,18 @@ Reaction 1. OH- 2.701e-07 1.688e-07 -6.568 -6.773 -0.204 -2.84 H+ 7.782e-08 5.923e-08 -7.109 -7.227 -0.119 0.00 H2O 5.551e+01 9.876e-01 1.744 -0.005 0.000 18.07 -H(0) 5.360e-15 - H2 2.680e-15 3.042e-15 -14.572 -14.517 0.055 28.61 +H(0) 5.021e-15 + H2 2.510e-15 2.850e-15 -14.600 -14.545 0.055 28.61 Na 6.036e-01 Na+ 4.262e-01 3.055e-01 -0.370 -0.515 -0.145 -0.59 NaSO4- 1.774e-01 1.223e-01 -0.751 -0.913 -0.162 6.55 - NaOH 4.542e-18 5.156e-18 -17.343 -17.288 0.055 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.412 -63.357 0.055 30.40 -S(-2) 4.794e-21 - HS- 3.730e-21 2.331e-21 -20.428 -20.632 -0.204 21.27 - H2S 1.063e-21 1.207e-21 -20.973 -20.918 0.055 36.27 - S-2 2.287e-26 4.753e-27 -25.641 -26.323 -0.682 (0) - (H2S)2 0.000e+00 0.000e+00 -43.170 -43.115 0.055 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.355 -63.300 0.055 30.40 +S(-2) 3.691e-21 + HS- 2.872e-21 1.795e-21 -20.542 -20.746 -0.204 21.27 + H2S 8.188e-22 9.295e-22 -21.087 -21.032 0.055 36.27 + S-2 1.761e-26 3.660e-27 -25.754 -26.437 -0.682 (0) + (H2S)2 0.000e+00 0.000e+00 -43.397 -43.342 0.055 30.09 S(6) 3.018e-01 NaSO4- 1.774e-01 1.223e-01 -0.751 -0.913 -0.162 6.55 SO4-2 1.244e-01 2.458e-02 -0.905 -1.609 -0.704 36.35 @@ -74655,12 +74341,12 @@ S(6) 3.018e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.42 -14.52 -3.10 H2 + H2(g) -11.44 -14.55 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.92 -27.86 -7.94 H2S + H2S(g) -20.04 -27.97 -7.94 H2S Mirabilite -1.45 -2.69 -1.24 Na2SO4:10H2O - O2(g) -60.46 -63.36 -2.89 O2 - Sulfur -14.43 -9.55 4.88 S + O2(g) -60.41 -63.30 -2.89 O2 + Sulfur -14.52 -9.64 4.88 S Thenardite -2.34 -2.64 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74698,7 +74384,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.357 Adjusted to redox equilibrium + pe = -1.362 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 42576 Density (g/cm³) = 1.03727 Volume (L) = 1.00897 @@ -74706,11 +74392,11 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.901e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.092e-17 + Total alkalinity (eq/kg) = 1.289e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.782e-11 + Electrical balance (eq) = -7.242e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.681762e+01 @@ -74722,19 +74408,18 @@ Reaction 1. OH- 2.732e-07 1.692e-07 -6.563 -6.772 -0.208 -2.77 H+ 7.775e-08 5.901e-08 -7.109 -7.229 -0.120 0.00 H2O 5.551e+01 9.866e-01 1.744 -0.006 0.000 18.07 -H(0) 2.231e-15 - H2 1.115e-15 1.278e-15 -14.953 -14.894 0.059 28.61 +H(0) 2.277e-15 + H2 1.139e-15 1.304e-15 -14.944 -14.885 0.059 28.61 Na 6.557e-01 Na+ 4.590e-01 3.289e-01 -0.338 -0.483 -0.145 -0.56 NaSO4- 1.967e-01 1.348e-01 -0.706 -0.870 -0.164 7.12 - NaOH 4.859e-18 5.567e-18 -17.313 -17.254 0.059 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.663 -62.604 0.059 30.40 -S(-2) 1.534e-22 - HS- 1.199e-22 7.429e-23 -21.921 -22.129 -0.208 21.30 - H2S 3.346e-23 3.833e-23 -22.475 -22.416 0.059 36.27 - S-2 7.498e-28 1.521e-28 -27.125 -27.818 -0.693 (0) - (H2S)2 0.000e+00 0.000e+00 -46.170 -46.111 0.059 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.682 -62.623 0.059 30.40 +S(-2) 1.667e-22 + HS- 1.303e-22 8.073e-23 -21.885 -22.093 -0.208 21.30 + H2S 3.636e-23 4.165e-23 -22.439 -22.380 0.059 36.27 + S-2 8.147e-28 1.652e-28 -27.089 -27.782 -0.693 (0) + (H2S)2 0.000e+00 0.000e+00 -46.098 -46.039 0.059 30.09 S(6) 3.279e-01 NaSO4- 1.967e-01 1.348e-01 -0.706 -0.870 -0.164 7.12 SO4-2 1.311e-01 2.518e-02 -0.882 -1.599 -0.717 37.05 @@ -74744,12 +74429,12 @@ S(6) 3.279e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.79 -14.89 -3.10 H2 + H2(g) -11.78 -14.88 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -21.42 -29.36 -7.94 H2S + H2S(g) -21.39 -29.32 -7.94 H2S Mirabilite -1.38 -2.62 -1.24 Na2SO4:10H2O - O2(g) -59.71 -62.60 -2.89 O2 - Sulfur -15.55 -10.67 4.88 S + O2(g) -59.73 -62.62 -2.89 O2 + Sulfur -15.53 -10.65 4.88 S Thenardite -2.26 -2.56 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74787,7 +74472,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.545 Adjusted to redox equilibrium + pe = -1.561 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 43095 Density (g/cm³) = 1.03788 Volume (L) = 1.00908 @@ -74795,9 +74480,9 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 5.979e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.885e-17 + Total alkalinity (eq/kg) = -1.467e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.274e-14 + Electrical balance (eq) = -4.735e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74811,19 +74496,18 @@ Reaction 1. OH- 2.738e-07 1.693e-07 -6.563 -6.771 -0.209 -2.76 H+ 7.774e-08 5.897e-08 -7.109 -7.229 -0.120 0.00 H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.07 -H(0) 5.278e-15 - H2 2.639e-15 3.029e-15 -14.579 -14.519 0.060 28.61 +H(0) 5.687e-15 + H2 2.843e-15 3.263e-15 -14.546 -14.486 0.060 28.61 Na 6.661e-01 Na+ 4.655e-01 3.336e-01 -0.332 -0.477 -0.145 -0.56 NaSO4- 2.007e-01 1.374e-01 -0.698 -0.862 -0.165 7.24 - NaOH 4.922e-18 5.648e-18 -17.308 -17.248 0.060 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.414 -63.354 0.060 30.40 -S(-2) 4.872e-21 - HS- 3.813e-21 2.358e-21 -20.419 -20.627 -0.209 21.30 - H2S 1.059e-21 1.216e-21 -20.975 -20.915 0.060 36.27 - S-2 2.392e-26 4.829e-27 -25.621 -26.316 -0.695 (0) - (H2S)2 0.000e+00 0.000e+00 -43.168 -43.109 0.060 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.479 -63.419 0.060 30.40 +S(-2) 6.565e-21 + HS- 5.138e-21 3.177e-21 -20.289 -20.498 -0.209 21.30 + H2S 1.427e-21 1.638e-21 -20.845 -20.786 0.060 36.27 + S-2 3.223e-26 6.507e-27 -25.492 -26.187 -0.695 (0) + (H2S)2 0.000e+00 0.000e+00 -42.909 -42.850 0.060 30.09 S(6) 3.331e-01 NaSO4- 2.007e-01 1.374e-01 -0.698 -0.862 -0.165 7.24 SO4-2 1.324e-01 2.530e-02 -0.878 -1.597 -0.719 37.19 @@ -74833,12 +74517,12 @@ S(6) 3.331e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.42 -14.52 -3.10 H2 + H2(g) -11.39 -14.49 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.92 -27.86 -7.94 H2S + H2S(g) -19.79 -27.73 -7.94 H2S Mirabilite -1.37 -2.61 -1.24 Na2SO4:10H2O - O2(g) -60.46 -63.35 -2.89 O2 - Sulfur -14.43 -9.55 4.88 S + O2(g) -60.53 -63.42 -2.89 O2 + Sulfur -14.33 -9.45 4.88 S Thenardite -2.25 -2.55 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74876,7 +74560,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.231 Charge balance - pe = 10.571 Adjusted to redox equilibrium + pe = 10.555 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 45621 Density (g/cm³) = 1.04093 Volume (L) = 1.00966 @@ -74884,9 +74568,9 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 6.363e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.977e-17 + Total alkalinity (eq/kg) = -2.798e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.106e-15 + Electrical balance (eq) = 6.217e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74900,19 +74584,18 @@ Reaction 1. OH- 2.765e-07 1.696e-07 -6.558 -6.771 -0.212 -2.69 H+ 7.773e-08 5.881e-08 -7.109 -7.231 -0.121 0.00 H2O 5.551e+01 9.854e-01 1.744 -0.006 0.000 18.07 -H(0) 3.047e-39 - H2 1.523e-39 1.764e-39 -38.817 -38.754 0.064 28.61 +H(0) 3.290e-39 + H2 1.645e-39 1.905e-39 -38.784 -38.720 0.064 28.61 Na 7.179e-01 Na+ 4.976e-01 3.568e-01 -0.303 -0.448 -0.144 -0.53 NaSO4- 2.202e-01 1.501e-01 -0.657 -0.824 -0.167 7.77 - NaOH 5.227e-18 6.052e-18 -17.282 -17.218 0.064 (0) -O(0) 2.248e-15 - O2 1.124e-15 1.301e-15 -14.949 -14.886 0.064 30.40 +O(0) 1.928e-15 + O2 9.639e-16 1.116e-15 -15.016 -14.952 0.064 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.345 -117.557 -0.212 21.33 - H2S 0.000e+00 0.000e+00 -117.910 -117.846 0.064 36.27 - S-2 0.000e+00 0.000e+00 -122.540 -123.245 -0.704 (0) - (H2S)2 0.000e+00 0.000e+00 -237.034 -236.970 0.064 30.09 + HS- 0.000e+00 0.000e+00 -117.212 -117.424 -0.212 21.33 + H2S 0.000e+00 0.000e+00 -117.776 -117.713 0.064 36.27 + S-2 0.000e+00 0.000e+00 -122.407 -123.111 -0.704 (0) + (H2S)2 0.000e+00 0.000e+00 -236.767 -236.704 0.064 30.09 S(6) 3.589e-01 NaSO4- 2.202e-01 1.501e-01 -0.657 -0.824 -0.167 7.77 SO4-2 1.387e-01 2.583e-02 -0.858 -1.588 -0.730 37.85 @@ -74922,12 +74605,12 @@ S(6) 3.589e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.65 -38.75 -3.10 H2 + H2(g) -35.62 -38.72 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.85 -124.79 -7.94 H2S + H2S(g) -116.72 -124.65 -7.94 H2S Mirabilite -1.31 -2.55 -1.24 Na2SO4:10H2O - O2(g) -11.99 -14.89 -2.89 O2 - Sulfur -87.12 -82.24 4.88 S + O2(g) -12.06 -14.95 -2.89 O2 + Sulfur -87.02 -82.14 4.88 S Thenardite -2.18 -2.48 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -74965,7 +74648,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.232 Charge balance - pe = 10.581 Adjusted to redox equilibrium + pe = 10.578 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 49821 Density (g/cm³) = 1.04614 Volume (L) = 1.01069 @@ -74973,9 +74656,9 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 7.014e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.823e-16 + Total alkalinity (eq/kg) = 6.713e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.381e-14 + Electrical balance (eq) = 9.376e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -74989,19 +74672,18 @@ Reaction 1. OH- 2.804e-07 1.699e-07 -6.552 -6.770 -0.218 -2.58 H+ 7.778e-08 5.861e-08 -7.109 -7.232 -0.123 0.00 H2O 5.551e+01 9.837e-01 1.744 -0.007 0.000 18.07 -H(0) 2.853e-39 - H2 1.426e-39 1.676e-39 -38.846 -38.776 0.070 28.61 +H(0) 2.894e-39 + H2 1.447e-39 1.701e-39 -38.840 -38.769 0.070 28.61 Na 8.071e-01 Na+ 5.525e-01 3.968e-01 -0.258 -0.401 -0.144 -0.49 NaSO4- 2.546e-01 1.722e-01 -0.594 -0.764 -0.170 8.61 - NaOH 5.736e-18 6.741e-18 -17.241 -17.171 0.070 (0) -O(0) 2.443e-15 - O2 1.222e-15 1.436e-15 -14.913 -14.843 0.070 30.40 +O(0) 2.374e-15 + O2 1.187e-15 1.395e-15 -14.926 -14.855 0.070 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.413 -117.630 -0.218 21.36 - H2S 0.000e+00 0.000e+00 -117.991 -117.921 0.070 36.27 - S-2 0.000e+00 0.000e+00 -122.597 -123.316 -0.719 (0) - (H2S)2 0.000e+00 0.000e+00 -237.190 -237.120 0.070 30.09 + HS- 0.000e+00 0.000e+00 -117.388 -117.605 -0.218 21.36 + H2S 0.000e+00 0.000e+00 -117.966 -117.896 0.070 36.27 + S-2 0.000e+00 0.000e+00 -122.572 -123.291 -0.719 (0) + (H2S)2 0.000e+00 0.000e+00 -237.140 -237.070 0.070 30.09 S(6) 4.036e-01 NaSO4- 2.546e-01 1.722e-01 -0.594 -0.764 -0.170 8.61 SO4-2 1.489e-01 2.665e-02 -0.827 -1.574 -0.747 38.92 @@ -75011,12 +74693,12 @@ S(6) 4.036e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.78 -3.10 H2 + H2(g) -35.67 -38.77 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.93 -124.86 -7.94 H2S + H2S(g) -116.90 -124.84 -7.94 H2S Mirabilite -1.21 -2.45 -1.24 Na2SO4:10H2O - O2(g) -11.95 -14.84 -2.89 O2 - Sulfur -87.18 -82.30 4.88 S + O2(g) -11.96 -14.86 -2.89 O2 + Sulfur -87.16 -82.28 4.88 S Thenardite -2.08 -2.38 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75054,7 +74736,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = -1.449 Adjusted to redox equilibrium + pe = -1.429 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 55838 Density (g/cm³) = 1.05397 Volume (L) = 1.01229 @@ -75062,9 +74744,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 7.976e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.801e-17 + Total alkalinity (eq/kg) = 1.248e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.146e-12 + Electrical balance (eq) = 1.135e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -75078,19 +74760,18 @@ Reaction 1. OH- 2.849e-07 1.698e-07 -6.545 -6.770 -0.225 -2.43 H+ 7.802e-08 5.849e-08 -7.108 -7.233 -0.125 0.00 H2O 5.551e+01 9.812e-01 1.744 -0.008 0.000 18.07 -H(0) 3.183e-15 - H2 1.592e-15 1.913e-15 -14.798 -14.718 0.080 28.61 +H(0) 2.912e-15 + H2 1.456e-15 1.749e-15 -14.837 -14.757 0.080 28.61 Na 9.424e-01 Na+ 6.344e-01 4.575e-01 -0.198 -0.340 -0.142 -0.42 NaSO4- 3.080e-01 2.062e-01 -0.511 -0.686 -0.174 9.75 - NaOH 6.465e-18 7.769e-18 -17.189 -17.110 0.080 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.039 -62.960 0.080 30.40 -S(-2) 8.743e-22 - HS- 6.974e-22 4.157e-22 -21.157 -21.381 -0.225 21.42 - H2S 1.769e-22 2.126e-22 -21.752 -21.672 0.080 36.27 - S-2 4.702e-27 8.584e-28 -26.328 -27.066 -0.739 (0) - (H2S)2 0.000e+00 0.000e+00 -44.703 -44.623 0.080 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.962 -62.882 0.080 30.40 +S(-2) 6.121e-22 + HS- 4.883e-22 2.910e-22 -21.311 -21.536 -0.225 21.42 + H2S 1.239e-22 1.488e-22 -21.907 -21.827 0.080 36.27 + S-2 3.292e-27 6.009e-28 -26.483 -27.221 -0.739 (0) + (H2S)2 0.000e+00 0.000e+00 -45.013 -44.933 0.080 30.09 S(6) 4.712e-01 NaSO4- 3.080e-01 2.062e-01 -0.511 -0.686 -0.174 9.75 SO4-2 1.632e-01 2.768e-02 -0.787 -1.558 -0.770 40.40 @@ -75100,12 +74781,12 @@ S(6) 4.712e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.62 -14.72 -3.10 H2 + H2(g) -11.66 -14.76 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -20.68 -28.61 -7.94 H2S + H2S(g) -20.83 -28.77 -7.94 H2S Mirabilite -1.08 -2.32 -1.24 Na2SO4:10H2O - O2(g) -60.07 -62.96 -2.89 O2 - Sulfur -14.99 -10.10 4.88 S + O2(g) -59.99 -62.88 -2.89 O2 + Sulfur -15.10 -10.22 4.88 S Thenardite -1.94 -2.24 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75113,12 +74794,6 @@ S(6) 4.712e-01 Reaction step 51. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using temperature 1. Using pressure 1. @@ -75149,7 +74824,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = 10.577 Adjusted to redox equilibrium + pe = 10.711 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58282 Density (g/cm³) = 1.05728 Volume (L) = 1.01300 @@ -75157,11 +74832,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.377e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.224e-16 + Total alkalinity (eq/kg) = 5.434e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.865e-14 + Electrical balance (eq) = 2.474e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 66 (167 overall) + Iterations = 70 Total H = 1.110124e+02 Total O = 5.750622e+01 @@ -75173,19 +74848,18 @@ Reaction 1. OH- 2.864e-07 1.696e-07 -6.543 -6.771 -0.227 -2.36 H+ 7.817e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.801e-01 1.744 -0.009 0.000 18.07 -H(0) 2.799e-39 - H2 1.399e-39 1.697e-39 -38.854 -38.770 0.084 28.61 +H(0) 1.512e-39 + H2 7.559e-40 9.167e-40 -39.122 -39.038 0.084 28.61 Na 1.000e+00 Na+ 6.689e-01 4.835e-01 -0.175 -0.316 -0.141 -0.40 NaSO4- 3.311e-01 2.209e-01 -0.480 -0.656 -0.176 10.20 - NaOH 6.762e-18 8.201e-18 -17.170 -17.086 0.084 (0) -O(0) 2.293e-15 - O2 1.147e-15 1.391e-15 -14.941 -14.857 0.084 30.40 +O(0) 7.859e-15 + O2 3.930e-15 4.766e-15 -14.406 -14.322 0.084 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.354 -117.581 -0.227 21.44 - H2S 0.000e+00 0.000e+00 -117.956 -117.873 0.084 36.27 - S-2 0.000e+00 0.000e+00 -122.520 -123.266 -0.746 (0) - (H2S)2 0.000e+00 0.000e+00 -237.107 -237.023 0.084 30.09 + HS- 0.000e+00 0.000e+00 -118.424 -118.651 -0.227 21.44 + H2S 0.000e+00 0.000e+00 -119.026 -118.942 0.084 36.27 + S-2 0.000e+00 0.000e+00 -123.590 -124.336 -0.746 (0) + (H2S)2 0.000e+00 0.000e+00 -239.247 -239.163 0.084 30.09 S(6) 5.000e-01 NaSO4- 3.311e-01 2.209e-01 -0.480 -0.656 -0.176 10.20 SO4-2 1.689e-01 2.806e-02 -0.772 -1.552 -0.779 40.99 @@ -75195,12 +74869,12 @@ S(6) 5.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.77 -3.10 H2 + H2(g) -35.94 -39.04 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.88 -124.81 -7.94 H2S + H2S(g) -117.95 -125.88 -7.94 H2S Mirabilite -1.03 -2.27 -1.24 Na2SO4:10H2O - O2(g) -11.96 -14.86 -2.89 O2 - Sulfur -87.13 -82.25 4.88 S + O2(g) -11.43 -14.32 -2.89 O2 + Sulfur -87.94 -83.05 4.88 S Thenardite -1.88 -2.18 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75238,7 +74912,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = -0.727 Adjusted to redox equilibrium + pe = 10.394 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58333 Density (g/cm³) = 1.05735 Volume (L) = 1.01301 @@ -75246,10 +74920,10 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.386e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.841e-16 + Total alkalinity (eq/kg) = 5.870e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.437e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 8.364e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 18 Total H = 1.110124e+02 Total O = 5.750866e+01 @@ -75262,19 +74936,18 @@ Reaction 1. OH- 2.864e-07 1.696e-07 -6.543 -6.771 -0.228 -2.36 H+ 7.817e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.801e-01 1.744 -0.009 0.000 18.07 -H(0) 1.134e-16 - H2 5.670e-17 6.878e-17 -16.246 -16.163 0.084 28.61 +H(0) 6.500e-39 + H2 3.250e-39 3.942e-39 -38.488 -38.404 0.084 28.61 Na 1.001e+00 Na+ 6.696e-01 4.840e-01 -0.174 -0.315 -0.141 -0.40 NaSO4- 3.316e-01 2.212e-01 -0.479 -0.655 -0.176 10.21 - NaOH 6.768e-18 8.210e-18 -17.170 -17.086 0.084 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.156 -60.072 0.084 30.40 -S(-2) 1.494e-27 - HS- 1.195e-27 7.080e-28 -26.922 -27.150 -0.228 21.44 - H2S 2.985e-28 3.620e-28 -27.525 -27.441 0.084 36.27 - S-2 8.148e-33 1.462e-33 -32.089 -32.835 -0.746 (0) - (H2S)2 0.000e+00 0.000e+00 -56.245 -56.161 0.084 30.09 +O(0) 4.249e-16 + O2 2.124e-16 2.577e-16 -15.673 -15.589 0.084 30.40 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -115.889 -116.117 -0.228 21.44 + H2S 0.000e+00 0.000e+00 -116.492 -116.408 0.084 36.27 + S-2 0.000e+00 0.000e+00 -121.056 -121.802 -0.746 (0) + (H2S)2 0.000e+00 0.000e+00 -234.178 -234.095 0.084 30.09 S(6) 5.006e-01 NaSO4- 3.316e-01 2.212e-01 -0.479 -0.655 -0.176 10.21 SO4-2 1.690e-01 2.807e-02 -0.772 -1.552 -0.780 41.00 @@ -75284,12 +74957,12 @@ S(6) 5.006e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.06 -16.16 -3.10 H2 + H2(g) -35.30 -38.40 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -26.45 -34.38 -7.94 H2S + H2S(g) -115.41 -123.35 -7.94 H2S Mirabilite -1.03 -2.27 -1.24 Na2SO4:10H2O - O2(g) -57.18 -60.07 -2.89 O2 - Sulfur -19.31 -14.43 4.88 S + O2(g) -12.70 -15.59 -2.89 O2 + Sulfur -86.04 -81.15 4.88 S Thenardite -1.88 -2.18 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75327,7 +75000,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = -1.563 Adjusted to redox equilibrium + pe = -1.537 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58456 Density (g/cm³) = 1.05752 Volume (L) = 1.01305 @@ -75335,9 +75008,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.406e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.423e-16 + Total alkalinity (eq/kg) = -1.929e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.989e-12 + Electrical balance (eq) = 2.046e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -75351,19 +75024,18 @@ Reaction 1. OH- 2.865e-07 1.696e-07 -6.543 -6.771 -0.228 -2.36 H+ 7.818e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.801e-01 1.744 -0.009 0.000 18.07 -H(0) 5.324e-15 - H2 2.662e-15 3.230e-15 -14.575 -14.491 0.084 28.61 +H(0) 4.722e-15 + H2 2.361e-15 2.866e-15 -14.627 -14.543 0.084 28.61 Na 1.004e+00 Na+ 6.713e-01 4.854e-01 -0.173 -0.314 -0.141 -0.40 NaSO4- 3.328e-01 2.219e-01 -0.478 -0.654 -0.176 10.23 - NaOH 6.783e-18 8.232e-18 -17.169 -17.085 0.084 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.416 0.084 30.40 -S(-2) 7.277e-21 - HS- 5.824e-21 3.448e-21 -20.235 -20.462 -0.228 21.44 - H2S 1.453e-21 1.763e-21 -20.838 -20.754 0.084 36.27 - S-2 3.972e-26 7.121e-27 -25.401 -26.147 -0.746 (0) - (H2S)2 0.000e+00 0.000e+00 -42.870 -42.786 0.084 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.396 -63.312 0.084 30.40 +S(-2) 4.506e-21 + HS- 3.606e-21 2.135e-21 -20.443 -20.671 -0.228 21.44 + H2S 8.996e-22 1.092e-21 -21.046 -20.962 0.084 36.27 + S-2 2.459e-26 4.409e-27 -25.609 -26.356 -0.746 (0) + (H2S)2 0.000e+00 0.000e+00 -43.286 -43.202 0.084 30.09 S(6) 5.021e-01 NaSO4- 3.328e-01 2.219e-01 -0.478 -0.654 -0.176 10.23 SO4-2 1.693e-01 2.809e-02 -0.771 -1.551 -0.780 41.03 @@ -75373,12 +75045,12 @@ S(6) 5.021e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.39 -14.49 -3.10 H2 + H2(g) -11.44 -14.54 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.76 -27.70 -7.94 H2S + H2S(g) -19.97 -27.90 -7.94 H2S Mirabilite -1.03 -2.27 -1.24 Na2SO4:10H2O - O2(g) -60.52 -63.42 -2.89 O2 - Sulfur -14.29 -9.41 4.88 S + O2(g) -60.42 -63.31 -2.89 O2 + Sulfur -14.45 -9.57 4.88 S Thenardite -1.88 -2.18 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75416,7 +75088,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.233 Charge balance - pe = 10.577 Adjusted to redox equilibrium + pe = 10.559 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58708 Density (g/cm³) = 1.05786 Volume (L) = 1.01312 @@ -75424,9 +75096,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.448e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.799e-16 + Total alkalinity (eq/kg) = 6.818e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.624e-13 + Electrical balance (eq) = 8.623e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -75440,19 +75112,18 @@ Reaction 1. OH- 2.866e-07 1.696e-07 -6.543 -6.771 -0.228 -2.35 H+ 7.820e-08 5.849e-08 -7.107 -7.233 -0.126 0.00 H2O 5.551e+01 9.799e-01 1.744 -0.009 0.000 18.07 -H(0) 2.795e-39 - H2 1.398e-39 1.698e-39 -38.855 -38.770 0.084 28.61 +H(0) 3.036e-39 + H2 1.518e-39 1.844e-39 -38.819 -38.734 0.084 28.61 Na 1.010e+00 Na+ 6.749e-01 4.881e-01 -0.171 -0.312 -0.141 -0.40 NaSO4- 3.353e-01 2.235e-01 -0.475 -0.651 -0.176 10.28 - NaOH 6.814e-18 8.277e-18 -17.167 -17.082 0.084 (0) -O(0) 2.286e-15 - O2 1.143e-15 1.389e-15 -14.942 -14.857 0.084 30.40 +O(0) 1.938e-15 + O2 9.691e-16 1.177e-15 -15.014 -14.929 0.084 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.351 -117.579 -0.228 21.44 - H2S 0.000e+00 0.000e+00 -117.955 -117.870 0.084 36.27 - S-2 0.000e+00 0.000e+00 -122.517 -123.264 -0.747 (0) - (H2S)2 0.000e+00 0.000e+00 -237.103 -237.019 0.084 30.09 + HS- 0.000e+00 0.000e+00 -117.208 -117.436 -0.228 21.44 + H2S 0.000e+00 0.000e+00 -117.811 -117.727 0.084 36.27 + S-2 0.000e+00 0.000e+00 -122.373 -123.121 -0.747 (0) + (H2S)2 0.000e+00 0.000e+00 -236.816 -236.732 0.084 30.09 S(6) 5.051e-01 NaSO4- 3.353e-01 2.235e-01 -0.475 -0.651 -0.176 10.28 SO4-2 1.698e-01 2.812e-02 -0.770 -1.551 -0.781 41.09 @@ -75462,12 +75133,12 @@ S(6) 5.051e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.77 -3.10 H2 + H2(g) -35.63 -38.73 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.88 -124.81 -7.94 H2S + H2S(g) -116.73 -124.67 -7.94 H2S Mirabilite -1.02 -2.26 -1.24 Na2SO4:10H2O - O2(g) -11.97 -14.86 -2.89 O2 - Sulfur -87.13 -82.25 4.88 S + O2(g) -12.04 -14.93 -2.89 O2 + Sulfur -87.02 -82.14 4.88 S Thenardite -1.87 -2.17 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75505,7 +75176,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.232 Charge balance - pe = 10.574 Adjusted to redox equilibrium + pe = 10.570 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 63762 Density (g/cm³) = 1.06498 Volume (L) = 1.01469 @@ -75513,7 +75184,7 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 9.302e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.528e-16 + Total alkalinity (eq/kg) = -1.101e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 2.092e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -75529,19 +75200,18 @@ Reaction 1. OH- 2.891e-07 1.690e-07 -6.539 -6.772 -0.233 -2.21 H+ 7.859e-08 5.856e-08 -7.105 -7.232 -0.128 0.00 H2O 5.551e+01 9.776e-01 1.744 -0.010 0.000 18.07 -H(0) 2.784e-39 - H2 1.392e-39 1.725e-39 -38.856 -38.763 0.093 28.61 +H(0) 2.844e-39 + H2 1.422e-39 1.762e-39 -38.847 -38.754 0.093 28.61 Na 1.135e+00 Na+ 7.489e-01 5.447e-01 -0.126 -0.264 -0.138 -0.35 NaSO4- 3.863e-01 2.556e-01 -0.413 -0.592 -0.179 11.17 - NaOH 7.429e-18 9.203e-18 -17.129 -17.036 0.093 (0) -O(0) 2.162e-15 - O2 1.081e-15 1.339e-15 -14.966 -14.873 0.093 30.40 +O(0) 2.072e-15 + O2 1.036e-15 1.284e-15 -14.985 -14.892 0.093 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.303 -117.536 -0.233 21.48 - H2S 0.000e+00 0.000e+00 -117.920 -117.827 0.093 36.27 - S-2 0.000e+00 0.000e+00 -122.461 -123.222 -0.761 (0) - (H2S)2 0.000e+00 0.000e+00 -237.025 -236.932 0.093 30.09 + HS- 0.000e+00 0.000e+00 -117.266 -117.499 -0.233 21.48 + H2S 0.000e+00 0.000e+00 -117.883 -117.790 0.093 36.27 + S-2 0.000e+00 0.000e+00 -122.424 -123.185 -0.761 (0) + (H2S)2 0.000e+00 0.000e+00 -236.952 -236.859 0.093 30.09 S(6) 5.676e-01 NaSO4- 3.863e-01 2.556e-01 -0.413 -0.592 -0.179 11.17 SO4-2 1.813e-01 2.883e-02 -0.742 -1.540 -0.799 42.30 @@ -75551,12 +75221,12 @@ S(6) 5.676e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.66 -38.76 -3.10 H2 + H2(g) -35.65 -38.75 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.83 -124.77 -7.94 H2S + H2S(g) -116.80 -124.73 -7.94 H2S Mirabilite -0.93 -2.17 -1.24 Na2SO4:10H2O - O2(g) -11.98 -14.87 -2.89 O2 - Sulfur -87.10 -82.21 4.88 S + O2(g) -12.00 -14.89 -2.89 O2 + Sulfur -87.07 -82.19 4.88 S Thenardite -1.77 -2.07 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75594,7 +75264,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.231 Charge balance - pe = 10.533 Adjusted to redox equilibrium + pe = 10.499 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69991 Density (g/cm³) = 1.07426 Volume (L) = 1.01682 @@ -75602,7 +75272,7 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 1.040e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.437e-17 + Total alkalinity (eq/kg) = -5.075e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.468e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -75618,19 +75288,18 @@ Reaction 1. OH- 2.912e-07 1.678e-07 -6.536 -6.775 -0.239 -2.04 H+ 7.922e-08 5.879e-08 -7.101 -7.231 -0.130 0.00 H2O 5.551e+01 9.746e-01 1.744 -0.011 0.000 18.07 -H(0) 3.311e-39 - H2 1.655e-39 2.103e-39 -38.781 -38.677 0.104 28.61 +H(0) 3.869e-39 + H2 1.934e-39 2.458e-39 -38.713 -38.609 0.104 28.61 Na 1.300e+00 Na+ 8.451e-01 6.201e-01 -0.073 -0.208 -0.134 -0.29 NaSO4- 4.549e-01 2.985e-01 -0.342 -0.525 -0.183 12.23 - NaOH 8.188e-18 1.040e-17 -17.087 -16.983 0.104 (0) -O(0) 1.409e-15 - O2 7.044e-16 8.950e-16 -15.152 -15.048 0.104 30.40 +O(0) 1.032e-15 + O2 5.158e-16 6.554e-16 -15.288 -15.183 0.104 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -116.934 -117.174 -0.239 21.54 - H2S 0.000e+00 0.000e+00 -117.567 -117.463 0.104 36.27 - S-2 0.000e+00 0.000e+00 -122.083 -122.861 -0.778 (0) - (H2S)2 0.000e+00 0.000e+00 -236.307 -236.203 0.104 30.09 + HS- 0.000e+00 0.000e+00 -116.663 -116.903 -0.239 21.54 + H2S 0.000e+00 0.000e+00 -117.296 -117.192 0.104 36.27 + S-2 0.000e+00 0.000e+00 -121.812 -122.590 -0.778 (0) + (H2S)2 0.000e+00 0.000e+00 -235.766 -235.662 0.104 30.09 S(6) 6.500e-01 NaSO4- 4.549e-01 2.985e-01 -0.342 -0.525 -0.183 12.23 SO4-2 1.951e-01 2.957e-02 -0.710 -1.529 -0.819 43.76 @@ -75640,12 +75309,12 @@ S(6) 6.500e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.58 -38.68 -3.10 H2 + H2(g) -35.51 -38.61 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.47 -124.40 -7.94 H2S + H2S(g) -116.20 -124.13 -7.94 H2S Mirabilite -0.82 -2.06 -1.24 Na2SO4:10H2O - O2(g) -12.16 -15.05 -2.89 O2 - Sulfur -86.82 -81.94 4.88 S + O2(g) -12.29 -15.18 -2.89 O2 + Sulfur -86.61 -81.73 4.88 S Thenardite -1.64 -1.94 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75683,7 +75352,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.546 Adjusted to redox equilibrium + pe = -1.595 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 73546 Density (g/cm³) = 1.07983 Volume (L) = 1.01816 @@ -75691,9 +75360,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.106e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.824e-17 + Total alkalinity (eq/kg) = -3.841e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.664e-11 + Electrical balance (eq) = 2.637e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -75707,19 +75376,18 @@ Reaction 1. OH- 2.920e-07 1.669e-07 -6.535 -6.777 -0.243 -1.94 H+ 7.966e-08 5.898e-08 -7.099 -7.229 -0.131 0.00 H2O 5.551e+01 9.728e-01 1.744 -0.012 0.000 18.07 -H(0) 4.723e-15 - H2 2.362e-15 3.046e-15 -14.627 -14.516 0.111 28.61 +H(0) 5.910e-15 + H2 2.955e-15 3.811e-15 -14.529 -14.419 0.111 28.61 Na 1.400e+00 Na+ 9.028e-01 6.663e-01 -0.044 -0.176 -0.132 -0.25 NaSO4- 4.972e-01 3.248e-01 -0.303 -0.488 -0.185 12.82 - NaOH 8.623e-18 1.112e-17 -17.064 -16.954 0.111 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.482 -63.372 0.111 30.40 -S(-2) 6.489e-21 - HS- 5.282e-21 3.020e-21 -20.277 -20.520 -0.243 21.57 - H2S 1.207e-21 1.557e-21 -20.918 -20.808 0.111 36.27 - S-2 3.784e-26 6.184e-27 -25.422 -26.209 -0.787 (0) - (H2S)2 0.000e+00 0.000e+00 -43.004 -42.894 0.111 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.677 -63.566 0.111 30.40 +S(-2) 1.590e-20 + HS- 1.295e-20 7.402e-21 -19.888 -20.131 -0.243 21.57 + H2S 2.959e-21 3.817e-21 -20.529 -20.418 0.111 36.27 + S-2 9.274e-26 1.516e-26 -25.033 -25.819 -0.787 (0) + (H2S)2 0.000e+00 0.000e+00 -42.225 -42.115 0.111 30.09 S(6) 7.000e-01 NaSO4- 4.972e-01 3.248e-01 -0.303 -0.488 -0.185 12.82 SO4-2 2.028e-01 2.994e-02 -0.693 -1.524 -0.831 44.59 @@ -75729,12 +75397,12 @@ S(6) 7.000e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.42 -14.52 -3.10 H2 + H2(g) -11.32 -14.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -19.81 -27.75 -7.94 H2S + H2S(g) -19.42 -27.36 -7.94 H2S Mirabilite -0.76 -2.00 -1.24 Na2SO4:10H2O - O2(g) -60.48 -63.37 -2.89 O2 - Sulfur -14.32 -9.44 4.88 S + O2(g) -60.67 -63.57 -2.89 O2 + Sulfur -14.03 -9.15 4.88 S Thenardite -1.58 -1.88 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75772,7 +75440,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = 10.587 Adjusted to redox equilibrium + pe = 10.609 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 73678 Density (g/cm³) = 1.08004 Volume (L) = 1.01821 @@ -75780,9 +75448,9 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 1.108e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.125e-16 + Total alkalinity (eq/kg) = 2.783e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.277e-12 + Electrical balance (eq) = 9.278e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -75796,19 +75464,18 @@ Reaction 1. OH- 2.920e-07 1.669e-07 -6.535 -6.778 -0.243 -1.94 H+ 7.967e-08 5.899e-08 -7.099 -7.229 -0.131 0.00 H2O 5.551e+01 9.727e-01 1.744 -0.012 0.000 18.07 -H(0) 2.557e-39 - H2 1.278e-39 1.650e-39 -38.893 -38.783 0.111 28.61 +H(0) 2.309e-39 + H2 1.154e-39 1.490e-39 -38.938 -38.827 0.111 28.61 Na 1.404e+00 Na+ 9.050e-01 6.681e-01 -0.043 -0.175 -0.132 -0.25 NaSO4- 4.988e-01 3.258e-01 -0.302 -0.487 -0.185 12.84 - NaOH 8.639e-18 1.115e-17 -17.064 -16.953 0.111 (0) -O(0) 2.245e-15 - O2 1.122e-15 1.449e-15 -14.950 -14.839 0.111 30.40 +O(0) 2.754e-15 + O2 1.377e-15 1.777e-15 -14.861 -14.750 0.111 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.342 -117.585 -0.243 21.57 - H2S 0.000e+00 0.000e+00 -117.983 -117.872 0.111 36.27 - S-2 0.000e+00 0.000e+00 -122.487 -123.274 -0.787 (0) - (H2S)2 0.000e+00 0.000e+00 -237.134 -237.023 0.111 30.09 + HS- 0.000e+00 0.000e+00 -117.519 -117.762 -0.243 21.57 + H2S 0.000e+00 0.000e+00 -118.161 -118.050 0.111 36.27 + S-2 0.000e+00 0.000e+00 -122.664 -123.451 -0.787 (0) + (H2S)2 0.000e+00 0.000e+00 -237.489 -237.378 0.111 30.09 S(6) 7.019e-01 NaSO4- 4.988e-01 3.258e-01 -0.302 -0.487 -0.185 12.84 SO4-2 2.031e-01 2.995e-02 -0.692 -1.524 -0.831 44.62 @@ -75818,12 +75485,12 @@ S(6) 7.019e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.68 -38.78 -3.10 H2 + H2(g) -35.73 -38.83 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -116.88 -124.81 -7.94 H2S + H2S(g) -117.06 -124.99 -7.94 H2S Mirabilite -0.75 -1.99 -1.24 Na2SO4:10H2O - O2(g) -11.95 -14.84 -2.89 O2 - Sulfur -87.12 -82.24 4.88 S + O2(g) -11.86 -14.75 -2.89 O2 + Sulfur -87.25 -82.37 4.88 S Thenardite -1.57 -1.87 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75861,7 +75528,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.229 Charge balance - pe = -1.639 Adjusted to redox equilibrium + pe = -1.645 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 74936 Density (g/cm³) = 1.08206 Volume (L) = 1.01870 @@ -75869,9 +75536,9 @@ Reaction 1. Activity of water = 0.972 Ionic strength (mol/kgw) = 1.132e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.446e-17 + Total alkalinity (eq/kg) = 1.006e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.528e-11 + Electrical balance (eq) = 2.725e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -75885,19 +75552,18 @@ Reaction 1. OH- 2.922e-07 1.666e-07 -6.534 -6.778 -0.244 -1.90 H+ 7.984e-08 5.906e-08 -7.098 -7.229 -0.131 0.00 H2O 5.551e+01 9.720e-01 1.744 -0.012 0.000 18.07 -H(0) 7.230e-15 - H2 3.615e-15 4.691e-15 -14.442 -14.329 0.113 28.61 +H(0) 7.410e-15 + H2 3.705e-15 4.808e-15 -14.431 -14.318 0.113 28.61 Na 1.440e+00 Na+ 9.260e-01 6.851e-01 -0.033 -0.164 -0.131 -0.24 NaSO4- 5.144e-01 3.354e-01 -0.289 -0.474 -0.186 13.04 - NaOH 8.793e-18 1.141e-17 -17.056 -16.943 0.113 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.860 -63.747 0.113 30.40 -S(-2) 3.689e-20 - HS- 3.007e-20 1.714e-20 -19.522 -19.766 -0.244 21.58 - H2S 6.821e-21 8.851e-21 -20.166 -20.053 0.113 36.27 - S-2 2.161e-25 3.505e-26 -24.665 -25.455 -0.790 (0) - (H2S)2 0.000e+00 0.000e+00 -41.497 -41.384 0.113 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.882 -63.769 0.113 30.40 +S(-2) 4.070e-20 + HS- 3.317e-20 1.891e-20 -19.479 -19.723 -0.244 21.58 + H2S 7.526e-21 9.766e-21 -20.123 -20.010 0.113 36.27 + S-2 2.384e-25 3.867e-26 -24.623 -25.413 -0.790 (0) + (H2S)2 0.000e+00 0.000e+00 -41.412 -41.299 0.113 30.09 S(6) 7.202e-01 NaSO4- 5.144e-01 3.354e-01 -0.289 -0.474 -0.186 13.04 SO4-2 2.058e-01 3.008e-02 -0.687 -1.522 -0.835 44.91 @@ -75907,12 +75573,12 @@ S(6) 7.202e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.23 -14.33 -3.10 H2 + H2(g) -11.22 -14.32 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O - H2S(g) -19.06 -26.99 -7.94 H2S + H2S(g) -19.02 -26.95 -7.94 H2S Mirabilite -0.73 -1.97 -1.24 Na2SO4:10H2O - O2(g) -60.85 -63.75 -2.89 O2 - Sulfur -13.76 -8.87 4.88 S + O2(g) -60.88 -63.77 -2.89 O2 + Sulfur -13.72 -8.84 4.88 S Thenardite -1.55 -1.85 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -75950,7 +75616,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.228 Charge balance - pe = 10.658 Adjusted to redox equilibrium + pe = 10.643 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 76977 Density (g/cm³) = 1.08541 Volume (L) = 1.01953 @@ -75958,7 +75624,7 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 1.171e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.709e-18 + Total alkalinity (eq/kg) = 9.404e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.462e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -75974,19 +75640,18 @@ Reaction 1. OH- 2.924e-07 1.660e-07 -6.534 -6.780 -0.246 -1.84 H+ 8.013e-08 5.920e-08 -7.096 -7.228 -0.131 0.00 H2O 5.551e+01 9.709e-01 1.744 -0.013 0.000 18.07 -H(0) 1.831e-39 - H2 9.156e-40 1.199e-39 -39.038 -38.921 0.117 28.61 +H(0) 1.960e-39 + H2 9.801e-40 1.283e-39 -39.009 -38.892 0.117 28.61 Na 1.501e+00 Na+ 9.607e-01 7.134e-01 -0.017 -0.147 -0.129 -0.22 NaSO4- 5.403e-01 3.515e-01 -0.267 -0.454 -0.187 13.38 - NaOH 9.044e-18 1.184e-17 -17.044 -16.927 0.117 (0) -O(0) 4.175e-15 - O2 2.088e-15 2.734e-15 -14.680 -14.563 0.117 30.40 +O(0) 3.644e-15 + O2 1.822e-15 2.386e-15 -14.739 -14.622 0.117 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -117.884 -118.130 -0.246 21.59 - H2S 0.000e+00 0.000e+00 -118.533 -118.416 0.117 36.27 - S-2 0.000e+00 0.000e+00 -123.026 -123.821 -0.795 (0) - (H2S)2 0.000e+00 0.000e+00 -238.228 -238.111 0.117 30.09 + HS- 0.000e+00 0.000e+00 -117.766 -118.012 -0.246 21.59 + H2S 0.000e+00 0.000e+00 -118.415 -118.298 0.117 36.27 + S-2 0.000e+00 0.000e+00 -122.908 -123.702 -0.795 (0) + (H2S)2 0.000e+00 0.000e+00 -237.991 -237.874 0.117 30.09 S(6) 7.505e-01 NaSO4- 5.403e-01 3.515e-01 -0.267 -0.454 -0.187 13.38 SO4-2 2.102e-01 3.026e-02 -0.677 -1.519 -0.842 45.39 @@ -75996,12 +75661,12 @@ S(6) 7.505e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.82 -38.92 -3.10 H2 + H2(g) -35.79 -38.89 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O - H2S(g) -117.42 -125.36 -7.94 H2S + H2S(g) -117.30 -125.24 -7.94 H2S Mirabilite -0.70 -1.94 -1.24 Na2SO4:10H2O - O2(g) -11.67 -14.56 -2.89 O2 - Sulfur -87.53 -82.65 4.88 S + O2(g) -11.73 -14.62 -2.89 O2 + Sulfur -87.44 -82.56 4.88 S Thenardite -1.51 -1.81 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76039,7 +75704,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.220 Charge balance - pe = -1.226 Adjusted to redox equilibrium + pe = -1.262 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 88813 Density (g/cm³) = 1.10655 Volume (L) = 1.02503 @@ -76047,9 +75712,9 @@ Reaction 1. Activity of water = 0.964 Ionic strength (mol/kgw) = 1.415e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.005e-16 + Total alkalinity (eq/kg) = 1.363e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.993e-10 + Electrical balance (eq) = 3.652e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+02 @@ -76063,19 +75728,18 @@ Reaction 1. OH- 2.919e-07 1.618e-07 -6.535 -6.791 -0.256 -1.47 H+ 8.216e-08 6.030e-08 -7.085 -7.220 -0.134 0.00 H2O 5.551e+01 9.639e-01 1.744 -0.016 0.000 18.07 -H(0) 1.053e-15 - H2 5.267e-16 7.297e-16 -15.278 -15.137 0.142 28.61 +H(0) 1.242e-15 + H2 6.208e-16 8.600e-16 -15.207 -15.066 0.142 28.61 Na 1.890e+00 Na+ 1.180e+00 8.998e-01 0.072 -0.046 -0.118 -0.10 NaSO4- 7.101e-01 4.557e-01 -0.149 -0.341 -0.193 15.29 - NaOH 1.051e-17 1.456e-17 -16.978 -16.837 0.142 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.280 -62.138 0.142 30.40 -S(-2) 2.394e-23 - HS- 1.977e-23 1.096e-23 -22.704 -22.960 -0.256 21.70 - H2S 4.170e-24 5.777e-24 -23.380 -23.238 0.142 36.27 - S-2 1.455e-28 2.195e-29 -27.837 -28.659 -0.822 (0) - (H2S)2 0.000e+00 0.000e+00 -47.896 -47.755 0.142 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.422 -62.281 0.142 30.40 +S(-2) 4.618e-23 + HS- 3.814e-23 2.114e-23 -22.419 -22.675 -0.256 21.70 + H2S 8.046e-24 1.115e-23 -23.094 -22.953 0.142 36.27 + S-2 2.808e-28 4.234e-29 -27.552 -28.373 -0.822 (0) + (H2S)2 0.000e+00 0.000e+00 -47.326 -47.184 0.142 30.09 S(6) 9.452e-01 NaSO4- 7.101e-01 4.557e-01 -0.149 -0.341 -0.193 15.29 SO4-2 2.350e-01 3.111e-02 -0.629 -1.507 -0.878 48.20 @@ -76085,12 +75749,12 @@ S(6) 9.452e-01 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.04 -15.14 -3.10 H2 + H2(g) -11.96 -15.07 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -22.24 -30.18 -7.94 H2S + H2S(g) -21.96 -29.89 -7.94 H2S Mirabilite -0.52 -1.76 -1.24 Na2SO4:10H2O - O2(g) -59.25 -62.14 -2.89 O2 - Sulfur -16.13 -11.25 4.88 S + O2(g) -59.39 -62.28 -2.89 O2 + Sulfur -15.92 -11.04 4.88 S Thenardite -1.30 -1.60 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76098,12 +75762,6 @@ S(6) 9.452e-01 Reaction step 62. -WARNING: Maximum iterations exceeded, 100 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using temperature 1. Using pressure 1. @@ -76134,7 +75792,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.217 Charge balance - pe = 9.890 Adjusted to redox equilibrium + pe = -1.109 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 91784 Density (g/cm³) = 1.11241 Volume (L) = 1.02664 @@ -76142,11 +75800,11 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.482e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.517e-15 + Total alkalinity (eq/kg) = 1.812e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.208e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 28 (129 overall) + Electrical balance (eq) = 3.109e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.950622e+01 @@ -76158,19 +75816,18 @@ Reaction 1. OH- 2.912e-07 1.605e-07 -6.536 -6.795 -0.259 -1.37 H+ 8.278e-08 6.066e-08 -7.082 -7.217 -0.135 0.00 H2O 5.551e+01 9.619e-01 1.744 -0.017 0.000 18.07 -H(0) 6.134e-38 - H2 3.067e-38 4.315e-38 -37.513 -37.365 0.148 28.61 +H(0) 6.107e-16 + H2 3.054e-16 4.296e-16 -15.515 -15.367 0.148 28.61 Na 2.000e+00 Na+ 1.241e+00 9.538e-01 0.094 -0.021 -0.114 -0.07 NaSO4- 7.588e-01 4.854e-01 -0.120 -0.314 -0.194 15.77 - NaOH 1.088e-17 1.531e-17 -16.963 -16.815 0.148 (0) -O(0) 2.945e-18 - O2 1.473e-18 2.072e-18 -17.832 -17.684 0.148 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -111.606 -111.865 -0.259 21.72 - H2S 0.000e+00 0.000e+00 -112.288 -112.140 0.148 36.27 - S-2 0.000e+00 0.000e+00 -116.738 -117.566 -0.828 (0) - (H2S)2 0.000e+00 0.000e+00 -225.707 -225.559 0.148 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.828 -61.680 0.148 30.40 +S(-2) 2.940e-24 + HS- 2.434e-24 1.341e-24 -23.614 -23.872 -0.259 21.72 + H2S 5.058e-25 7.115e-25 -24.296 -24.148 0.148 36.27 + S-2 1.797e-29 2.671e-30 -28.745 -29.573 -0.828 (0) + (H2S)2 0.000e+00 0.000e+00 -49.722 -49.574 0.148 30.09 S(6) 1.000e+00 NaSO4- 7.588e-01 4.854e-01 -0.120 -0.314 -0.194 15.77 SO4-2 2.412e-01 3.126e-02 -0.618 -1.505 -0.887 48.92 @@ -76180,12 +75837,12 @@ S(6) 1.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.26 -37.37 -3.10 H2 + H2(g) -12.27 -15.37 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -111.15 -119.08 -7.94 H2S + H2S(g) -23.15 -31.09 -7.94 H2S Mirabilite -0.47 -1.71 -1.24 Na2SO4:10H2O - O2(g) -14.79 -17.68 -2.89 O2 - Sulfur -82.81 -77.93 4.88 S + O2(g) -58.79 -61.68 -2.89 O2 + Sulfur -16.81 -11.93 4.88 S Thenardite -1.25 -1.55 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76223,7 +75880,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.217 Charge balance - pe = -1.580 Adjusted to redox equilibrium + pe = -1.554 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 92319 Density (g/cm³) = 1.11349 Volume (L) = 1.02694 @@ -76231,9 +75888,9 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.495e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.585e-17 + Total alkalinity (eq/kg) = 4.991e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.159e-10 + Electrical balance (eq) = 4.889e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -76247,19 +75904,18 @@ Reaction 1. OH- 2.911e-07 1.602e-07 -6.536 -6.795 -0.259 -1.36 H+ 8.290e-08 6.073e-08 -7.081 -7.217 -0.135 0.00 H2O 5.551e+01 9.615e-01 1.744 -0.017 0.000 18.07 -H(0) 5.360e-15 - H2 2.680e-15 3.781e-15 -14.572 -14.422 0.149 28.61 +H(0) 4.746e-15 + H2 2.373e-15 3.348e-15 -14.625 -14.475 0.149 28.61 Na 2.020e+00 Na+ 1.252e+00 9.639e-01 0.098 -0.016 -0.114 -0.07 NaSO4- 7.679e-01 4.909e-01 -0.115 -0.309 -0.194 15.86 - NaOH 1.095e-17 1.545e-17 -16.961 -16.811 0.149 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.719 -63.569 0.149 30.40 -S(-2) 1.772e-20 - HS- 1.468e-20 8.080e-21 -19.833 -20.093 -0.259 21.73 - H2S 3.041e-21 4.290e-21 -20.517 -20.367 0.149 36.27 - S-2 1.084e-25 1.607e-26 -24.965 -25.794 -0.829 (0) - (H2S)2 0.000e+00 0.000e+00 -42.163 -42.013 0.149 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.613 -63.464 0.149 30.40 +S(-2) 1.089e-20 + HS- 9.023e-21 4.968e-21 -20.045 -20.304 -0.259 21.73 + H2S 1.870e-21 2.638e-21 -20.728 -20.579 0.149 36.27 + S-2 6.667e-26 9.879e-27 -25.176 -26.005 -0.829 (0) + (H2S)2 0.000e+00 0.000e+00 -42.585 -42.436 0.149 30.09 S(6) 1.010e+00 NaSO4- 7.679e-01 4.909e-01 -0.115 -0.309 -0.194 15.86 SO4-2 2.423e-01 3.129e-02 -0.616 -1.505 -0.889 49.05 @@ -76269,12 +75925,12 @@ S(6) 1.010e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.32 -14.42 -3.10 H2 + H2(g) -11.37 -14.48 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -19.37 -27.31 -7.94 H2S + H2S(g) -19.58 -27.52 -7.94 H2S Mirabilite -0.47 -1.71 -1.24 Na2SO4:10H2O - O2(g) -60.68 -63.57 -2.89 O2 - Sulfur -13.98 -9.10 4.88 S + O2(g) -60.57 -63.46 -2.89 O2 + Sulfur -14.14 -9.25 4.88 S Thenardite -1.24 -1.54 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76312,7 +75968,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.208 Charge balance - pe = -1.617 Adjusted to redox equilibrium + pe = -1.608 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 100430 Density (g/cm³) = 1.13109 Volume (L) = 1.03203 @@ -76320,9 +75976,9 @@ Reaction 1. Activity of water = 0.956 Ionic strength (mol/kgw) = 1.696e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.356e-17 + Total alkalinity (eq/kg) = -7.755e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.821e-10 + Electrical balance (eq) = 5.518e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -76336,19 +75992,18 @@ Reaction 1. OH- 2.881e-07 1.561e-07 -6.541 -6.806 -0.266 -1.06 H+ 8.491e-08 6.194e-08 -7.071 -7.208 -0.137 0.00 H2O 5.551e+01 9.555e-01 1.744 -0.020 0.000 18.07 -H(0) 6.300e-15 - H2 3.150e-15 4.655e-15 -14.502 -14.332 0.170 28.61 +H(0) 6.039e-15 + H2 3.020e-15 4.462e-15 -14.520 -14.350 0.170 28.61 Na 2.356e+00 Na+ 1.437e+00 1.134e+00 0.157 0.055 -0.103 0.02 NaSO4- 9.189e-01 5.824e-01 -0.037 -0.235 -0.198 17.19 - NaOH 1.198e-17 1.770e-17 -16.922 -16.752 0.170 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.925 -63.755 0.170 30.40 -S(-2) 4.328e-20 - HS- 3.610e-20 1.957e-20 -19.442 -19.708 -0.266 21.80 - H2S 7.172e-21 1.060e-20 -20.144 -19.975 0.170 36.27 - S-2 2.679e-25 3.816e-26 -24.572 -25.418 -0.846 (0) - (H2S)2 0.000e+00 0.000e+00 -41.397 -41.228 0.170 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.888 -63.719 0.170 30.40 +S(-2) 3.654e-20 + HS- 3.049e-20 1.653e-20 -19.516 -19.782 -0.266 21.80 + H2S 6.057e-21 8.950e-21 -20.218 -20.048 0.170 36.27 + S-2 2.262e-25 3.222e-26 -24.645 -25.492 -0.846 (0) + (H2S)2 0.000e+00 0.000e+00 -41.544 -41.375 0.170 30.09 S(6) 1.178e+00 NaSO4- 9.189e-01 5.824e-01 -0.037 -0.235 -0.198 17.19 SO4-2 2.590e-01 3.155e-02 -0.587 -1.501 -0.914 51.11 @@ -76358,12 +76013,12 @@ S(6) 1.178e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.23 -14.33 -3.10 H2 + H2(g) -11.25 -14.35 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -18.98 -26.92 -7.94 H2S + H2S(g) -19.05 -26.99 -7.94 H2S Mirabilite -0.35 -1.59 -1.24 Na2SO4:10H2O - O2(g) -60.86 -63.76 -2.89 O2 - Sulfur -13.67 -8.79 4.88 S + O2(g) -60.83 -63.72 -2.89 O2 + Sulfur -13.73 -8.85 4.88 S Thenardite -1.09 -1.39 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76401,7 +76056,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.207 Charge balance - pe = -1.598 Adjusted to redox equilibrium + pe = -1.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 101366 Density (g/cm³) = 1.13328 Volume (L) = 1.03269 @@ -76409,11 +76064,11 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.721e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.171e-16 + Total alkalinity (eq/kg) = 1.933e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.600e-10 + Electrical balance (eq) = 3.377e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 15 Total H = 1.110124e+02 Total O = 6.030262e+01 @@ -76425,19 +76080,18 @@ Reaction 1. OH- 2.876e-07 1.556e-07 -6.541 -6.808 -0.267 -1.02 H+ 8.517e-08 6.210e-08 -7.070 -7.207 -0.137 0.00 H2O 5.551e+01 9.548e-01 1.744 -0.020 0.000 18.07 -H(0) 5.766e-15 - H2 2.883e-15 4.285e-15 -14.540 -14.368 0.172 28.61 +H(0) 3.350e-15 + H2 1.675e-15 2.489e-15 -14.776 -14.604 0.172 28.61 Na 2.398e+00 Na+ 1.460e+00 1.156e+00 0.164 0.063 -0.101 0.03 NaSO4- 9.382e-01 5.940e-01 -0.028 -0.226 -0.199 17.35 - NaOH 1.210e-17 1.799e-17 -16.917 -16.745 0.172 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.856 -63.684 0.172 30.40 -S(-2) 3.131e-20 - HS- 2.614e-20 1.414e-20 -19.583 -19.849 -0.267 21.81 - H2S 5.168e-21 7.680e-21 -20.287 -20.115 0.172 36.27 - S-2 1.940e-25 2.751e-26 -24.712 -25.561 -0.848 (0) - (H2S)2 0.000e+00 0.000e+00 -41.680 -41.507 0.172 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.384 -63.212 0.172 30.40 +S(-2) 3.567e-21 + HS- 2.978e-21 1.611e-21 -20.526 -20.793 -0.267 21.81 + H2S 5.887e-22 8.750e-22 -21.230 -21.058 0.172 36.27 + S-2 2.210e-26 3.134e-27 -25.656 -26.504 -0.848 (0) + (H2S)2 0.000e+00 0.000e+00 -43.566 -43.394 0.172 30.09 S(6) 1.199e+00 NaSO4- 9.382e-01 5.940e-01 -0.028 -0.226 -0.199 17.35 SO4-2 2.609e-01 3.157e-02 -0.584 -1.501 -0.917 51.36 @@ -76447,12 +76101,12 @@ S(6) 1.199e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.27 -14.37 -3.10 H2 + H2(g) -11.50 -14.60 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -19.12 -27.06 -7.94 H2S + H2S(g) -20.06 -28.00 -7.94 H2S Mirabilite -0.34 -1.58 -1.24 Na2SO4:10H2O - O2(g) -60.79 -63.68 -2.89 O2 - Sulfur -13.78 -8.90 4.88 S + O2(g) -60.32 -63.21 -2.89 O2 + Sulfur -14.49 -9.60 4.88 S Thenardite -1.07 -1.37 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76490,7 +76144,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.207 Charge balance - pe = -1.615 Adjusted to redox equilibrium + pe = -1.576 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 101405 Density (g/cm³) = 1.13337 Volume (L) = 1.03271 @@ -76498,11 +76152,11 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.722e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.638e-16 + Total alkalinity (eq/kg) = -1.269e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.079e-09 + Electrical balance (eq) = 1.139e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 6.030622e+01 @@ -76514,19 +76168,18 @@ Reaction 1. OH- 2.876e-07 1.556e-07 -6.541 -6.808 -0.267 -1.02 H+ 8.518e-08 6.211e-08 -7.070 -7.207 -0.137 0.00 H2O 5.551e+01 9.548e-01 1.744 -0.020 0.000 18.07 -H(0) 6.237e-15 - H2 3.118e-15 4.636e-15 -14.506 -14.334 0.172 28.61 +H(0) 5.211e-15 + H2 2.606e-15 3.873e-15 -14.584 -14.412 0.172 28.61 Na 2.400e+00 Na+ 1.461e+00 1.157e+00 0.165 0.063 -0.101 0.03 NaSO4- 9.390e-01 5.945e-01 -0.027 -0.226 -0.199 17.36 - NaOH 1.211e-17 1.800e-17 -16.917 -16.745 0.172 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.925 -63.752 0.172 30.40 -S(-2) 4.290e-20 - HS- 3.582e-20 1.938e-20 -19.446 -19.713 -0.267 21.81 - H2S 7.080e-21 1.053e-20 -20.150 -19.978 0.172 36.27 - S-2 2.659e-25 3.769e-26 -24.575 -25.424 -0.848 (0) - (H2S)2 0.000e+00 0.000e+00 -41.406 -41.234 0.172 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.769 -63.596 0.172 30.40 +S(-2) 2.091e-20 + HS- 1.746e-20 9.446e-21 -19.758 -20.025 -0.267 21.81 + H2S 3.451e-21 5.130e-21 -20.462 -20.290 0.172 36.27 + S-2 1.296e-25 1.837e-26 -24.887 -25.736 -0.848 (0) + (H2S)2 0.000e+00 0.000e+00 -42.030 -41.858 0.172 30.09 S(6) 1.200e+00 NaSO4- 9.390e-01 5.945e-01 -0.027 -0.226 -0.199 17.36 SO4-2 2.610e-01 3.157e-02 -0.583 -1.501 -0.917 51.37 @@ -76536,12 +76189,12 @@ S(6) 1.200e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.23 -14.33 -3.10 H2 + H2(g) -11.31 -14.41 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -18.98 -26.92 -7.94 H2S + H2S(g) -19.30 -27.23 -7.94 H2S Mirabilite -0.34 -1.58 -1.24 Na2SO4:10H2O - O2(g) -60.86 -63.75 -2.89 O2 - Sulfur -13.68 -8.79 4.88 S + O2(g) -60.70 -63.60 -2.89 O2 + Sulfur -13.91 -9.03 4.88 S Thenardite -1.07 -1.37 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76579,7 +76232,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.191 Charge balance - pe = -1.677 Adjusted to redox equilibrium + pe = -1.705 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 112424 Density (g/cm³) = 1.16290 Volume (L) = 1.04206 @@ -76587,9 +76240,9 @@ Reaction 1. Activity of water = 0.944 Ionic strength (mol/kgw) = 2.059e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.508e-17 + Total alkalinity (eq/kg) = -5.280e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.233e-10 + Electrical balance (eq) = 8.768e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -76603,19 +76256,18 @@ Reaction 1. OH- 2.801e-07 1.483e-07 -6.553 -6.829 -0.276 -0.54 H+ 8.891e-08 6.447e-08 -7.051 -7.191 -0.140 0.00 H2O 5.551e+01 9.445e-01 1.744 -0.025 0.000 18.07 -H(0) 8.268e-15 - H2 4.134e-15 6.641e-15 -14.384 -14.178 0.206 28.61 +H(0) 9.425e-15 + H2 4.713e-15 7.571e-15 -14.327 -14.121 0.206 28.61 Na 2.982e+00 Na+ 1.775e+00 1.471e+00 0.249 0.168 -0.082 0.16 NaSO4- 1.207e+00 7.552e-01 0.082 -0.122 -0.204 19.32 - NaOH 1.358e-17 2.182e-17 -16.867 -16.661 0.206 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.280 -64.074 0.206 30.40 -S(-2) 1.980e-19 - HS- 1.670e-19 8.839e-20 -18.777 -19.054 -0.276 21.93 - H2S 3.101e-20 4.983e-20 -19.508 -19.303 0.206 36.27 - S-2 1.234e-24 1.656e-25 -23.909 -24.781 -0.872 (0) - (H2S)2 0.000e+00 1.308e-40 -40.089 -39.883 0.206 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -64.394 -64.188 0.206 30.40 +S(-2) 3.344e-19 + HS- 2.820e-19 1.493e-19 -18.550 -18.826 -0.276 21.93 + H2S 5.238e-20 8.415e-20 -19.281 -19.075 0.206 36.27 + S-2 2.083e-24 2.797e-25 -23.681 -24.553 -0.872 (0) + (H2S)2 2.323e-40 3.732e-40 -39.634 -39.428 0.206 30.09 S(6) 1.491e+00 NaSO4- 1.207e+00 7.552e-01 0.082 -0.122 -0.204 19.32 SO4-2 2.839e-01 3.153e-02 -0.547 -1.501 -0.954 54.52 @@ -76625,12 +76277,12 @@ S(6) 1.491e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.08 -14.18 -3.10 H2 + H2(g) -11.02 -14.12 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O - H2S(g) -18.31 -26.24 -7.94 H2S + H2S(g) -18.08 -26.02 -7.94 H2S Mirabilite -0.17 -1.41 -1.24 Na2SO4:10H2O - O2(g) -61.18 -64.07 -2.89 O2 - Sulfur -13.16 -8.27 4.88 S + O2(g) -61.30 -64.19 -2.89 O2 + Sulfur -12.99 -8.10 4.88 S Thenardite -0.87 -1.17 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76668,7 +76320,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.179 Charge balance - pe = -1.547 Adjusted to redox equilibrium + pe = -1.536 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 118459 Density (g/cm³) = 1.18337 Volume (L) = 1.04909 @@ -76676,11 +76328,11 @@ Reaction 1. Activity of water = 0.937 Ionic strength (mol/kgw) = 2.294e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.814e-16 + Total alkalinity (eq/kg) = 1.909e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.141e-10 + Electrical balance (eq) = 1.433e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 13 Total H = 1.110124e+02 Total O = 6.230582e+01 @@ -76692,19 +76344,18 @@ Reaction 1. OH- 2.738e-07 1.431e-07 -6.562 -6.844 -0.282 -0.21 H+ 9.170e-08 6.627e-08 -7.038 -7.179 -0.141 0.00 H2O 5.551e+01 9.372e-01 1.744 -0.028 0.000 18.07 -H(0) 4.552e-15 - H2 2.276e-15 3.860e-15 -14.643 -14.413 0.229 28.61 +H(0) 4.326e-15 + H2 2.163e-15 3.669e-15 -14.665 -14.436 0.229 28.61 Na 3.400e+00 Na+ 1.997e+00 1.712e+00 0.300 0.234 -0.067 0.25 NaSO4- 1.403e+00 8.715e-01 0.147 -0.060 -0.207 20.55 - NaOH 1.445e-17 2.450e-17 -16.840 -16.611 0.229 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.839 -63.610 0.229 30.40 -S(-2) 2.392e-20 - HS- 2.030e-20 1.061e-20 -19.693 -19.974 -0.282 22.00 - H2S 3.624e-21 6.147e-21 -20.441 -20.211 0.229 36.27 - S-2 1.487e-25 1.933e-26 -24.828 -25.714 -0.886 (0) - (H2S)2 0.000e+00 0.000e+00 -41.930 -41.701 0.229 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.795 -63.565 0.229 30.40 +S(-2) 1.951e-20 + HS- 1.656e-20 8.654e-21 -19.781 -20.063 -0.282 22.00 + H2S 2.957e-21 5.014e-21 -20.529 -20.300 0.229 36.27 + S-2 1.213e-25 1.577e-26 -24.916 -25.802 -0.886 (0) + (H2S)2 0.000e+00 0.000e+00 -42.107 -41.878 0.229 30.09 S(6) 1.700e+00 NaSO4- 1.403e+00 8.715e-01 0.147 -0.060 -0.207 20.55 SO4-2 2.971e-01 3.127e-02 -0.527 -1.505 -0.978 56.55 @@ -76714,12 +76365,12 @@ S(6) 1.700e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.31 -14.41 -3.10 H2 + H2(g) -11.33 -14.44 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O - H2S(g) -19.22 -27.15 -7.94 H2S + H2S(g) -19.31 -27.24 -7.94 H2S Mirabilite -0.08 -1.32 -1.24 Na2SO4:10H2O - O2(g) -60.72 -63.61 -2.89 O2 - Sulfur -13.83 -8.95 4.88 S + O2(g) -60.67 -63.57 -2.89 O2 + Sulfur -13.90 -9.01 4.88 S Thenardite -0.74 -1.04 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76757,7 +76408,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 7.168 Charge balance - pe = 10.842 Adjusted to redox equilibrium + pe = 10.588 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 122734 Density (g/cm³) = 1.20125 Volume (L) = 1.05561 @@ -76765,9 +76416,9 @@ Reaction 1. Activity of water = 0.931 Ionic strength (mol/kgw) = 2.501e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.553e-16 + Total alkalinity (eq/kg) = 3.947e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.522e-10 + Electrical balance (eq) = 2.704e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -76781,19 +76432,18 @@ Reaction 1. OH- 2.680e-07 1.386e-07 -6.572 -6.858 -0.286 0.08 H+ 9.424e-08 6.794e-08 -7.026 -7.168 -0.142 0.00 H2O 5.551e+01 9.306e-01 1.744 -0.031 0.000 18.07 -H(0) 7.616e-40 - H2 3.808e-40 6.773e-40 -39.419 -39.169 0.250 28.61 +H(0) 2.447e-39 + H2 1.224e-39 2.177e-39 -38.912 -38.662 0.250 28.61 Na 3.774e+00 Na+ 2.194e+00 1.940e+00 0.341 0.288 -0.053 0.32 NaSO4- 1.580e+00 9.763e-01 0.199 -0.010 -0.209 21.56 - NaOH 1.512e-17 2.689e-17 -16.820 -16.570 0.250 (0) -O(0) 8.850e-15 - O2 4.425e-15 7.870e-15 -14.354 -14.104 0.250 30.40 +O(0) 8.568e-16 + O2 4.284e-16 7.620e-16 -15.368 -15.118 0.250 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -118.693 -118.980 -0.286 22.07 - H2S 0.000e+00 0.000e+00 -119.456 -119.206 0.250 36.27 - S-2 0.000e+00 0.000e+00 -123.833 -124.730 -0.897 (0) - (H2S)2 0.000e+00 0.000e+00 -239.940 -239.690 0.250 30.09 + HS- 0.000e+00 0.000e+00 -116.665 -116.952 -0.286 22.07 + H2S 0.000e+00 0.000e+00 -117.428 -117.178 0.250 36.27 + S-2 0.000e+00 0.000e+00 -121.805 -122.702 -0.897 (0) + (H2S)2 0.000e+00 0.000e+00 -235.884 -235.634 0.250 30.09 S(6) 1.887e+00 NaSO4- 1.580e+00 9.763e-01 0.199 -0.010 -0.209 21.56 SO4-2 3.070e-01 3.092e-02 -0.513 -1.510 -0.997 58.25 @@ -76803,12 +76453,12 @@ S(6) 1.887e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.07 -39.17 -3.10 H2 + H2(g) -35.56 -38.66 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O - H2S(g) -118.21 -126.15 -7.94 H2S + H2S(g) -116.18 -124.12 -7.94 H2S Mirabilite -0.01 -1.25 -1.24 Na2SO4:10H2O - O2(g) -11.21 -14.10 -2.89 O2 - Sulfur -88.07 -83.19 4.88 S + O2(g) -12.23 -15.12 -2.89 O2 + Sulfur -86.55 -81.67 4.88 S Thenardite -0.63 -0.93 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -76965,7 +76615,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.843e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.491e-16 + Electrical balance (eq) = -7.494e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.110124e+02 @@ -76989,7 +76639,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.327e-02 -1.821 -1.877 -0.056 29.58 Na 1.509e-02 Na+ 1.509e-02 1.337e-02 -1.821 -1.874 -0.053 -1.35 - NaOH 1.571e-19 1.576e-19 -18.804 -18.802 0.002 (0) O(0) 9.607e-08 O2 4.803e-08 4.820e-08 -7.318 -7.317 0.002 30.40 @@ -77071,7 +76720,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.535e-02 -1.520 -1.596 -0.076 29.63 Na 3.017e-02 Na+ 3.017e-02 2.572e-02 -1.520 -1.590 -0.069 -1.28 - NaOH 3.169e-19 3.191e-19 -18.499 -18.496 0.003 (0) O(0) 1.345e-07 O2 6.726e-08 6.773e-08 -7.172 -7.169 0.003 30.40 @@ -77129,7 +76777,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.817e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.055e-13 + Electrical balance (eq) = -8.064e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77153,7 +76801,6 @@ N(5) 5.000e-02 NO3- 5.000e-02 4.032e-02 -1.301 -1.394 -0.093 29.67 Na 5.000e-02 Na+ 5.000e-02 4.124e-02 -1.301 -1.385 -0.084 -1.21 - NaOH 5.279e-19 5.340e-19 -18.277 -18.272 0.005 (0) O(0) 1.704e-07 O2 8.521e-08 8.620e-08 -7.069 -7.064 0.005 30.40 @@ -77211,7 +76858,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.926e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.702e-13 + Electrical balance (eq) = -5.668e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77235,7 +76882,6 @@ N(5) 5.176e-02 NO3- 5.176e-02 4.161e-02 -1.286 -1.381 -0.095 29.68 Na 5.176e-02 Na+ 5.176e-02 4.259e-02 -1.286 -1.371 -0.085 -1.21 - NaOH 5.466e-19 5.532e-19 -18.262 -18.257 0.005 (0) O(0) 1.731e-07 O2 8.657e-08 8.761e-08 -7.063 -7.057 0.005 30.40 @@ -77293,7 +76939,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.428e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.226e-14 + Electrical balance (eq) = -6.128e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77317,7 +76963,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.787e-02 -1.219 -1.320 -0.101 29.70 Na 6.039e-02 Na+ 6.039e-02 4.916e-02 -1.219 -1.308 -0.089 -1.18 - NaOH 6.385e-19 6.475e-19 -18.195 -18.189 0.006 (0) O(0) 1.857e-07 O2 9.286e-08 9.416e-08 -7.032 -7.026 0.006 30.40 @@ -77375,7 +77020,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 8.042e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.323e-16 + Electrical balance (eq) = -1.259e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77399,7 +77044,6 @@ N(5) 7.209e-02 NO3- 7.209e-02 5.618e-02 -1.142 -1.250 -0.108 29.72 Na 7.209e-02 Na+ 7.209e-02 5.795e-02 -1.142 -1.237 -0.095 -1.15 - NaOH 7.630e-19 7.758e-19 -18.117 -18.110 0.007 (0) O(0) 2.010e-07 O2 1.005e-07 1.022e-07 -6.998 -6.991 0.007 30.40 @@ -77457,7 +77101,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.148e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.125e-14 + Electrical balance (eq) = -4.286e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77481,7 +77125,6 @@ N(5) 9.672e-02 NO3- 9.672e-02 7.313e-02 -1.014 -1.136 -0.121 29.76 Na 9.672e-02 Na+ 9.672e-02 7.612e-02 -1.014 -1.119 -0.104 -1.10 - NaOH 1.025e-18 1.048e-18 -17.989 -17.980 0.010 (0) O(0) 2.287e-07 O2 1.144e-07 1.169e-07 -6.942 -6.932 0.010 30.40 @@ -77539,7 +77182,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.281e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.338e-14 + Electrical balance (eq) = -4.174e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77563,7 +77206,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.059e-18 1.084e-18 -17.975 -17.965 0.010 (0) O(0) 2.320e-07 O2 1.160e-07 1.187e-07 -6.936 -6.926 0.010 30.40 @@ -77621,7 +77263,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.281e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.338e-14 + Electrical balance (eq) = -4.174e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77645,7 +77287,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.059e-18 1.084e-18 -17.975 -17.965 0.010 (0) O(0) 2.320e-07 O2 1.160e-07 1.187e-07 -6.936 -6.926 0.010 30.40 @@ -77703,7 +77344,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.325e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.461e-14 + Electrical balance (eq) = -4.460e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -77727,7 +77368,6 @@ N(5) 1.011e-01 NO3- 1.011e-01 7.609e-02 -0.995 -1.119 -0.123 29.77 Na 1.011e-01 Na+ 1.011e-01 7.932e-02 -0.995 -1.101 -0.105 -1.09 - NaOH 1.071e-18 1.096e-18 -17.970 -17.960 0.010 (0) O(0) 2.331e-07 O2 1.166e-07 1.193e-07 -6.933 -6.923 0.010 30.40 @@ -77809,7 +77449,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.912e-02 -0.918 -1.050 -0.132 29.80 Na 1.208e-01 Na+ 1.208e-01 9.354e-02 -0.918 -1.029 -0.111 -1.05 - NaOH 1.281e-18 1.317e-18 -17.893 -17.881 0.012 (0) O(0) 2.515e-07 O2 1.257e-07 1.293e-07 -6.901 -6.888 0.012 30.40 @@ -77891,7 +77530,6 @@ N(5) 2.003e-01 NO3- 2.003e-01 1.391e-01 -0.698 -0.857 -0.158 29.90 Na 2.003e-01 Na+ 2.003e-01 1.498e-01 -0.698 -0.825 -0.126 -0.93 - NaOH 2.114e-18 2.214e-18 -17.675 -17.655 0.020 (0) O(0) 3.094e-07 O2 1.547e-07 1.620e-07 -6.811 -6.790 0.020 30.40 @@ -77973,7 +77611,6 @@ N(5) 2.066e-01 NO3- 2.066e-01 1.429e-01 -0.685 -0.845 -0.160 29.91 Na 2.066e-01 Na+ 2.066e-01 1.541e-01 -0.685 -0.812 -0.127 -0.92 - NaOH 2.179e-18 2.285e-18 -17.662 -17.641 0.021 (0) O(0) 3.132e-07 O2 1.566e-07 1.642e-07 -6.805 -6.785 0.021 30.40 @@ -78055,7 +77692,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.695e-01 -0.600 -0.771 -0.171 29.95 Na 2.514e-01 Na+ 2.514e-01 1.854e-01 -0.600 -0.732 -0.132 -0.87 - NaOH 2.642e-18 2.799e-18 -17.578 -17.553 0.025 (0) O(0) 3.379e-07 O2 1.690e-07 1.790e-07 -6.772 -6.747 0.025 30.40 @@ -78137,7 +77773,6 @@ N(5) 2.988e-01 NO3- 2.988e-01 1.969e-01 -0.525 -0.706 -0.181 30.00 Na 2.988e-01 Na+ 2.988e-01 2.183e-01 -0.525 -0.661 -0.136 -0.81 - NaOH 3.127e-18 3.350e-18 -17.505 -17.475 0.030 (0) O(0) 3.606e-07 O2 1.803e-07 1.931e-07 -6.744 -6.714 0.030 30.40 @@ -78219,7 +77854,6 @@ N(5) 3.030e-01 NO3- 3.030e-01 1.993e-01 -0.519 -0.701 -0.182 30.01 Na 3.030e-01 Na+ 3.030e-01 2.212e-01 -0.519 -0.655 -0.137 -0.81 - NaOH 3.170e-18 3.399e-18 -17.499 -17.469 0.030 (0) O(0) 3.624e-07 O2 1.812e-07 1.943e-07 -6.742 -6.712 0.030 30.40 @@ -78301,7 +77935,6 @@ N(5) 3.358e-01 NO3- 3.358e-01 2.177e-01 -0.474 -0.662 -0.188 30.04 Na 3.358e-01 Na+ 3.358e-01 2.439e-01 -0.474 -0.613 -0.139 -0.78 - NaOH 3.502e-18 3.783e-18 -17.456 -17.422 0.034 (0) O(0) 3.762e-07 O2 1.881e-07 2.032e-07 -6.726 -6.692 0.034 30.40 @@ -78359,7 +77992,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.602e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.553e-15 + Electrical balance (eq) = 9.568e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -78383,7 +78016,6 @@ N(5) 4.009e-01 NO3- 4.009e-01 2.536e-01 -0.397 -0.596 -0.199 30.09 Na 4.009e-01 Na+ 4.009e-01 2.892e-01 -0.397 -0.539 -0.142 -0.71 - NaOH 4.155e-18 4.557e-18 -17.381 -17.341 0.040 (0) O(0) 4.005e-07 O2 2.003e-07 2.196e-07 -6.698 -6.658 0.040 30.40 @@ -78441,7 +78073,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.688e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.683e-15 + Electrical balance (eq) = -2.758e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -78465,7 +78097,6 @@ N(5) 4.677e-01 NO3- 4.677e-01 2.895e-01 -0.330 -0.538 -0.208 30.15 Na 4.677e-01 Na+ 4.677e-01 3.360e-01 -0.330 -0.474 -0.144 -0.66 - NaOH 4.815e-18 5.362e-18 -17.317 -17.271 0.047 (0) O(0) 4.220e-07 O2 2.110e-07 2.350e-07 -6.676 -6.629 0.047 30.40 @@ -78523,8 +78154,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.723e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.837e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.268e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.700136e+01 @@ -78547,7 +78178,6 @@ N(5) 4.984e-01 NO3- 4.984e-01 3.057e-01 -0.302 -0.515 -0.212 30.17 Na 4.984e-01 Na+ 4.984e-01 3.576e-01 -0.302 -0.447 -0.144 -0.63 - NaOH 5.114e-18 5.736e-18 -17.291 -17.241 0.050 (0) O(0) 4.309e-07 O2 2.154e-07 2.416e-07 -6.667 -6.617 0.050 30.40 @@ -78605,7 +78235,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.725e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.711e-14 + Electrical balance (eq) = -1.714e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -78629,7 +78259,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.065e-01 -0.301 -0.514 -0.213 30.17 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 5.130e-18 5.756e-18 -17.290 -17.240 0.050 (0) O(0) 4.313e-07 O2 2.157e-07 2.420e-07 -6.666 -6.616 0.050 30.40 @@ -78687,7 +78316,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.725e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.711e-14 + Electrical balance (eq) = -1.714e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -78711,7 +78340,6 @@ N(5) 5.000e-01 NO3- 5.000e-01 3.065e-01 -0.301 -0.514 -0.213 30.17 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 5.130e-18 5.756e-18 -17.290 -17.240 0.050 (0) O(0) 4.313e-07 O2 2.157e-07 2.420e-07 -6.666 -6.616 0.050 30.40 @@ -78769,7 +78397,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.726e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.934e-15 + Electrical balance (eq) = 2.924e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -78793,7 +78421,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 3.070e-01 -0.300 -0.513 -0.213 30.17 Na 5.010e-01 Na+ 5.010e-01 3.595e-01 -0.300 -0.444 -0.144 -0.63 - NaOH 5.140e-18 5.768e-18 -17.289 -17.239 0.050 (0) O(0) 4.316e-07 O2 2.158e-07 2.422e-07 -6.666 -6.616 0.050 30.40 @@ -78851,7 +78478,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.808e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.194e-14 + Electrical balance (eq) = -1.193e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -78875,7 +78502,6 @@ N(5) 5.800e-01 NO3- 5.800e-01 3.480e-01 -0.237 -0.458 -0.222 30.23 Na 5.800e-01 Na+ 5.800e-01 4.157e-01 -0.237 -0.381 -0.145 -0.57 - NaOH 5.901e-18 6.744e-18 -17.229 -17.171 0.058 (0) O(0) 4.521e-07 O2 2.260e-07 2.583e-07 -6.646 -6.588 0.058 30.40 @@ -78933,7 +78559,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.826e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.157e-15 + Electrical balance (eq) = -9.190e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -78957,7 +78583,6 @@ N(5) 5.990e-01 NO3- 5.990e-01 3.577e-01 -0.223 -0.447 -0.224 30.24 Na 5.990e-01 Na+ 5.990e-01 4.293e-01 -0.223 -0.367 -0.145 -0.56 - NaOH 6.081e-18 6.980e-18 -17.216 -17.156 0.060 (0) O(0) 4.565e-07 O2 2.283e-07 2.620e-07 -6.642 -6.582 0.060 30.40 @@ -79039,7 +78664,6 @@ N(5) 6.898e-01 NO3- 6.898e-01 4.034e-01 -0.161 -0.394 -0.233 30.30 Na 6.898e-01 Na+ 6.898e-01 4.952e-01 -0.161 -0.305 -0.144 -0.49 - NaOH 6.933e-18 8.127e-18 -17.159 -17.090 0.069 (0) O(0) 4.760e-07 O2 2.380e-07 2.790e-07 -6.623 -6.554 0.069 30.40 @@ -79121,7 +78745,6 @@ N(5) 6.997e-01 NO3- 6.997e-01 4.084e-01 -0.155 -0.389 -0.234 30.31 Na 6.997e-01 Na+ 6.997e-01 5.025e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 7.026e-18 8.254e-18 -17.153 -17.083 0.070 (0) O(0) 4.779e-07 O2 2.390e-07 2.808e-07 -6.622 -6.552 0.070 30.40 @@ -79203,7 +78826,6 @@ N(5) 7.989e-01 NO3- 7.989e-01 4.572e-01 -0.097 -0.340 -0.242 30.37 Na 7.989e-01 Na+ 7.989e-01 5.763e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 7.933e-18 9.535e-18 -17.101 -17.021 0.080 (0) O(0) 4.957e-07 O2 2.479e-07 2.979e-07 -6.606 -6.526 0.080 30.40 @@ -79261,7 +78883,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.040e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.289e-15 + Electrical balance (eq) = -5.438e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -79285,7 +78907,6 @@ N(5) 8.920e-01 NO3- 8.920e-01 5.022e-01 -0.050 -0.299 -0.249 30.43 Na 8.920e-01 Na+ 8.920e-01 6.470e-01 -0.050 -0.189 -0.139 -0.37 - NaOH 8.763e-18 1.076e-17 -17.057 -16.968 0.089 (0) O(0) 5.100e-07 O2 2.550e-07 3.131e-07 -6.593 -6.504 0.089 30.40 @@ -79343,7 +78964,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.043e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.791e-14 + Electrical balance (eq) = 2.778e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -79367,7 +78988,6 @@ N(5) 8.970e-01 NO3- 8.970e-01 5.046e-01 -0.047 -0.297 -0.250 30.43 Na 8.970e-01 Na+ 8.970e-01 6.508e-01 -0.047 -0.187 -0.139 -0.36 - NaOH 8.806e-18 1.083e-17 -17.055 -16.966 0.090 (0) O(0) 5.107e-07 O2 2.553e-07 3.139e-07 -6.593 -6.503 0.090 30.40 @@ -79425,7 +79045,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.066e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.286e-14 + Electrical balance (eq) = 1.308e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -79449,7 +79069,6 @@ N(5) 9.406e-01 NO3- 9.406e-01 5.254e-01 -0.027 -0.279 -0.253 30.46 Na 9.407e-01 Na+ 9.407e-01 6.847e-01 -0.027 -0.165 -0.138 -0.34 - NaOH 9.189e-18 1.141e-17 -17.037 -16.943 0.094 (0) O(0) 5.166e-07 O2 2.583e-07 3.208e-07 -6.588 -6.494 0.094 30.40 @@ -79507,7 +79126,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.096e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.348e-15 + Electrical balance (eq) = -7.349e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -79531,7 +79150,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.535e-01 -0.000 -0.257 -0.257 30.49 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 9.701e-18 1.221e-17 -17.013 -16.913 0.100 (0) O(0) 5.240e-07 O2 2.620e-07 3.299e-07 -6.582 -6.482 0.100 30.40 @@ -79589,7 +79207,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.096e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.348e-15 + Electrical balance (eq) = -7.349e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -79613,7 +79231,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.535e-01 -0.000 -0.257 -0.257 30.49 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 9.701e-18 1.221e-17 -17.013 -16.913 0.100 (0) O(0) 5.240e-07 O2 2.620e-07 3.299e-07 -6.582 -6.482 0.100 30.40 @@ -79671,7 +79288,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.096e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.801e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -79695,7 +79312,6 @@ N(5) 1.000e+00 NO3- 1.000e+00 5.535e-01 0.000 -0.257 -0.257 30.49 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 9.701e-18 1.221e-17 -17.013 -16.913 0.100 (0) O(0) 5.241e-07 O2 2.620e-07 3.299e-07 -6.582 -6.482 0.100 30.40 @@ -79753,8 +79369,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.101e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.024e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.435e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.853889e+01 @@ -79777,7 +79393,6 @@ N(5) 1.011e+00 NO3- 1.011e+00 5.586e-01 0.005 -0.253 -0.258 30.50 Na 1.011e+00 Na+ 1.011e+00 7.399e-01 0.005 -0.131 -0.136 -0.30 - NaOH 9.794e-18 1.236e-17 -17.009 -16.908 0.101 (0) O(0) 5.253e-07 O2 2.627e-07 3.315e-07 -6.581 -6.480 0.101 30.40 @@ -79835,7 +79450,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.177e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.585e-14 + Electrical balance (eq) = 1.584e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -79859,7 +79474,6 @@ N(5) 1.196e+00 NO3- 1.196e+00 6.447e-01 0.078 -0.191 -0.268 30.60 Na 1.196e+00 Na+ 1.196e+00 8.907e-01 0.078 -0.050 -0.128 -0.20 - NaOH 1.134e-17 1.493e-17 -16.946 -16.826 0.120 (0) O(0) 5.442e-07 O2 2.721e-07 3.584e-07 -6.565 -6.446 0.120 30.40 @@ -79917,8 +79531,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.255e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.838e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 6.060e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.992618e+01 @@ -79941,7 +79555,6 @@ N(5) 1.473e+00 NO3- 1.473e+00 7.699e-01 0.168 -0.114 -0.282 30.73 Na 1.473e+00 Na+ 1.473e+00 1.131e+00 0.168 0.053 -0.115 -0.08 - NaOH 1.350e-17 1.895e-17 -16.870 -16.722 0.147 (0) O(0) 5.637e-07 O2 2.818e-07 3.957e-07 -6.550 -6.403 0.147 30.40 @@ -79999,7 +79612,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.260e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.639e-15 + Electrical balance (eq) = -6.178e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -80023,7 +79636,6 @@ N(5) 1.500e+00 NO3- 1.500e+00 7.817e-01 0.176 -0.107 -0.283 30.75 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 1.370e-17 1.935e-17 -16.863 -16.713 0.150 (0) O(0) 5.651e-07 O2 2.826e-07 3.991e-07 -6.549 -6.399 0.150 30.40 @@ -80081,7 +79693,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.307e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.409e-14 + Electrical balance (eq) = 4.804e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -80105,7 +79717,6 @@ N(5) 1.796e+00 NO3- 1.796e+00 9.116e-01 0.254 -0.040 -0.295 30.88 Na 1.796e+00 Na+ 1.796e+00 1.436e+00 0.254 0.157 -0.097 0.06 - NaOH 1.580e-17 2.390e-17 -16.801 -16.622 0.180 (0) O(0) 5.767e-07 O2 2.884e-07 4.361e-07 -6.540 -6.360 0.180 30.40 @@ -80163,8 +79774,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.324e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.925e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.592e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.150622e+01 @@ -80187,7 +79798,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.993e-01 0.301 -0.000 -0.301 30.97 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 1.714e-17 2.717e-17 -16.766 -16.566 0.200 (0) O(0) 5.810e-07 O2 2.905e-07 4.604e-07 -6.537 -6.337 0.200 30.40 @@ -80245,8 +79855,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.324e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.925e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.592e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.150622e+01 @@ -80269,7 +79879,6 @@ N(5) 2.000e+00 NO3- 2.000e+00 9.993e-01 0.301 -0.000 -0.301 30.97 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 1.714e-17 2.717e-17 -16.766 -16.566 0.200 (0) O(0) 5.810e-07 O2 2.905e-07 4.604e-07 -6.537 -6.337 0.200 30.40 @@ -80327,8 +79936,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.328e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.160e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.953e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.175597e+01 @@ -80351,7 +79960,6 @@ N(5) 2.083e+00 NO3- 2.083e+00 1.035e+00 0.319 0.015 -0.304 31.01 Na 2.083e+00 Na+ 2.083e+00 1.733e+00 0.319 0.239 -0.080 0.17 - NaOH 1.767e-17 2.854e-17 -16.753 -16.545 0.208 (0) O(0) 5.820e-07 O2 2.910e-07 4.701e-07 -6.536 -6.328 0.208 30.40 @@ -80409,8 +80017,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.329e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.804e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -4.148e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.189010e+01 @@ -80433,7 +80041,6 @@ N(5) 2.128e+00 NO3- 2.128e+00 1.054e+00 0.328 0.023 -0.305 31.02 Na 2.128e+00 Na+ 2.128e+00 1.781e+00 0.328 0.251 -0.077 0.19 - NaOH 1.794e-17 2.928e-17 -16.746 -16.533 0.213 (0) O(0) 5.824e-07 O2 2.912e-07 4.753e-07 -6.536 -6.323 0.213 30.40 @@ -80491,8 +80098,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.329e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.309e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.688e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.289150e+01 @@ -80515,7 +80122,6 @@ N(5) 2.462e+00 NO3- 2.462e+00 1.194e+00 0.391 0.077 -0.314 31.16 Na 2.462e+00 Na+ 2.462e+00 2.164e+00 0.391 0.335 -0.056 0.31 - NaOH 1.987e-17 3.503e-17 -16.702 -16.456 0.246 (0) O(0) 5.823e-07 O2 2.911e-07 5.132e-07 -6.536 -6.290 0.246 30.40 @@ -80573,8 +80179,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.328e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.902e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 9.311e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 6.300622e+01 @@ -80597,7 +80203,6 @@ N(5) 2.500e+00 NO3- 2.500e+00 1.210e+00 0.398 0.083 -0.315 31.17 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 2.008e-17 3.571e-17 -16.697 -16.447 0.250 (0) O(0) 5.820e-07 O2 2.910e-07 5.174e-07 -6.536 -6.286 0.250 30.40 @@ -80655,7 +80260,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.311e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.004e-13 + Electrical balance (eq) = -7.866e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -80679,7 +80284,6 @@ N(5) 2.799e+00 NO3- 2.799e+00 1.333e+00 0.447 0.125 -0.322 31.28 Na 2.799e+00 Na+ 2.799e+00 2.590e+00 0.447 0.413 -0.034 0.42 - NaOH 2.161e-17 4.118e-17 -16.665 -16.385 0.280 (0) O(0) 5.778e-07 O2 2.889e-07 5.503e-07 -6.539 -6.259 0.280 30.40 @@ -80737,7 +80341,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.294e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.327e-13 + Electrical balance (eq) = -8.111e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -80761,7 +80365,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.415e+00 0.477 0.151 -0.326 31.36 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 2.256e-17 4.500e-17 -16.647 -16.347 0.300 (0) O(0) 5.734e-07 O2 2.867e-07 5.721e-07 -6.543 -6.243 0.300 30.40 @@ -80819,7 +80422,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.294e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.327e-13 + Electrical balance (eq) = -8.111e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -80843,7 +80446,6 @@ N(5) 3.000e+00 NO3- 3.000e+00 1.415e+00 0.477 0.151 -0.326 31.36 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 2.256e-17 4.500e-17 -16.647 -16.347 0.300 (0) O(0) 5.734e-07 O2 2.867e-07 5.721e-07 -6.543 -6.243 0.300 30.40 @@ -80901,7 +80503,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.282e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.573e-13 + Electrical balance (eq) = -1.570e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -80925,7 +80527,6 @@ N(5) 3.113e+00 NO3- 3.113e+00 1.461e+00 0.493 0.165 -0.329 31.40 Na 3.113e+00 Na+ 3.113e+00 3.026e+00 0.493 0.481 -0.012 0.52 - NaOH 2.305e-17 4.721e-17 -16.637 -16.326 0.311 (0) O(0) 5.705e-07 O2 2.853e-07 5.841e-07 -6.545 -6.233 0.311 30.40 @@ -80983,7 +80584,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.279e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.126e-13 + Electrical balance (eq) = -1.640e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -81007,7 +80608,6 @@ N(5) 3.144e+00 NO3- 3.144e+00 1.474e+00 0.498 0.168 -0.329 31.41 Na 3.144e+00 Na+ 3.144e+00 3.073e+00 0.498 0.488 -0.010 0.52 - NaOH 2.319e-17 4.783e-17 -16.635 -16.320 0.314 (0) O(0) 5.697e-07 O2 2.848e-07 5.875e-07 -6.545 -6.231 0.314 30.40 @@ -81089,7 +80689,6 @@ N(5) 3.486e+00 NO3- 3.486e+00 1.611e+00 0.542 0.207 -0.335 31.53 Na 3.486e+00 Na+ 3.486e+00 3.600e+00 0.542 0.556 0.014 0.63 - NaOH 2.456e-17 5.481e-17 -16.610 -16.261 0.349 (0) O(0) 5.590e-07 O2 2.795e-07 6.237e-07 -6.554 -6.205 0.349 30.40 @@ -81147,7 +80746,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.234e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.934e-13 + Electrical balance (eq) = -7.902e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -81171,7 +80770,6 @@ N(5) 3.500e+00 NO3- 3.500e+00 1.616e+00 0.544 0.209 -0.336 31.53 Na 3.500e+00 Na+ 3.500e+00 3.623e+00 0.544 0.559 0.015 0.63 - NaOH 2.461e-17 5.510e-17 -16.609 -16.259 0.350 (0) O(0) 5.586e-07 O2 2.793e-07 6.252e-07 -6.554 -6.204 0.350 30.40 @@ -81229,7 +80827,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.190e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.270e-13 + Electrical balance (eq) = 1.634e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -81253,7 +80851,6 @@ N(5) 3.800e+00 NO3- 3.800e+00 1.736e+00 0.580 0.239 -0.340 31.63 Na 3.800e+00 Na+ 3.800e+00 4.133e+00 0.580 0.616 0.036 0.71 - NaOH 2.567e-17 6.158e-17 -16.591 -16.211 0.380 (0) O(0) 5.475e-07 O2 2.737e-07 6.567e-07 -6.563 -6.183 0.380 30.40 @@ -81311,7 +80908,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.165e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.597e-12 + Electrical balance (eq) = 5.727e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -81335,7 +80932,6 @@ N(5) 3.959e+00 NO3- 3.959e+00 1.798e+00 0.598 0.255 -0.343 31.69 Na 3.959e+00 Na+ 3.959e+00 4.420e+00 0.598 0.645 0.048 0.76 - NaOH 2.618e-17 6.513e-17 -16.582 -16.186 0.396 (0) O(0) 5.411e-07 O2 2.706e-07 6.733e-07 -6.568 -6.172 0.396 30.40 @@ -81393,7 +80989,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.158e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.946e-12 + Electrical balance (eq) = 1.001e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -81417,7 +81013,6 @@ N(5) 4.000e+00 NO3- 4.000e+00 1.814e+00 0.602 0.259 -0.343 31.70 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 2.630e-17 6.607e-17 -16.580 -16.180 0.400 (0) O(0) 5.395e-07 O2 2.697e-07 6.775e-07 -6.569 -6.169 0.400 30.40 @@ -81499,7 +81094,6 @@ N(5) 4.126e+00 NO3- 4.126e+00 1.864e+00 0.616 0.270 -0.345 31.74 Na 4.126e+00 Na+ 4.126e+00 4.737e+00 0.616 0.676 0.060 0.80 - NaOH 2.667e-17 6.897e-17 -16.574 -16.161 0.413 (0) O(0) 5.342e-07 O2 2.671e-07 6.906e-07 -6.573 -6.161 0.413 30.40 @@ -81581,7 +81175,6 @@ N(5) 4.285e+00 NO3- 4.285e+00 1.926e+00 0.632 0.285 -0.347 31.79 Na 4.285e+00 Na+ 4.285e+00 5.054e+00 0.632 0.704 0.072 0.84 - NaOH 2.711e-17 7.273e-17 -16.567 -16.138 0.429 (0) O(0) 5.272e-07 O2 2.636e-07 7.071e-07 -6.579 -6.151 0.429 30.40 @@ -81663,7 +81256,6 @@ N(5) 4.500e+00 NO3- 4.500e+00 2.010e+00 0.653 0.303 -0.350 31.86 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 2.766e-17 7.796e-17 -16.558 -16.108 0.450 (0) O(0) 5.176e-07 O2 2.588e-07 7.293e-07 -6.587 -6.137 0.450 30.40 @@ -81745,7 +81337,6 @@ N(5) 4.510e+00 NO3- 4.510e+00 2.014e+00 0.654 0.304 -0.350 31.86 Na 4.510e+00 Na+ 4.510e+00 5.527e+00 0.654 0.742 0.088 0.90 - NaOH 2.769e-17 7.822e-17 -16.558 -16.107 0.451 (0) O(0) 5.171e-07 O2 2.585e-07 7.304e-07 -6.587 -6.136 0.451 30.40 @@ -81803,8 +81394,8 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.991e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.088e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.198e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 7.026394e+01 @@ -81827,7 +81418,6 @@ N(5) 4.919e+00 NO3- 4.919e+00 2.172e+00 0.692 0.337 -0.355 31.99 Na 4.919e+00 Na+ 4.919e+00 6.464e+00 0.692 0.811 0.119 1.00 - NaOH 2.858e-17 8.870e-17 -16.544 -16.052 0.492 (0) O(0) 4.978e-07 O2 2.489e-07 7.726e-07 -6.604 -6.112 0.492 30.40 @@ -81885,7 +81475,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.975e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.059e-14 + Electrical balance (eq) = -3.751e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -81909,7 +81499,6 @@ N(5) 5.000e+00 NO3- 5.000e+00 2.203e+00 0.699 0.343 -0.356 32.01 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 2.873e-17 9.086e-17 -16.542 -16.042 0.500 (0) O(0) 4.939e-07 O2 2.469e-07 7.809e-07 -6.607 -6.107 0.500 30.40 @@ -81967,7 +81556,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.924e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.614e-15 + Electrical balance (eq) = 9.546e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -81991,7 +81580,6 @@ N(5) 5.261e+00 NO3- 5.261e+00 2.303e+00 0.721 0.362 -0.359 32.09 Na 5.261e+00 Na+ 5.261e+00 7.334e+00 0.721 0.865 0.144 1.08 - NaOH 2.919e-17 9.803e-17 -16.535 -16.009 0.526 (0) O(0) 4.810e-07 O2 2.405e-07 8.077e-07 -6.619 -6.093 0.526 30.40 @@ -82049,7 +81637,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.860e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.411e-12 + Electrical balance (eq) = 2.412e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -82073,7 +81661,6 @@ N(5) 5.584e+00 NO3- 5.584e+00 2.426e+00 0.747 0.385 -0.362 32.18 Na 5.584e+00 Na+ 5.584e+00 8.233e+00 0.747 0.916 0.169 1.16 - NaOH 2.967e-17 1.073e-16 -16.528 -15.969 0.558 (0) O(0) 4.649e-07 O2 2.325e-07 8.409e-07 -6.634 -6.075 0.558 30.40 @@ -82131,7 +81718,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.777e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.261e-10 + Electrical balance (eq) = 1.263e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -82155,7 +81742,6 @@ N(5) 5.991e+00 NO3- 5.991e+00 2.580e+00 0.778 0.412 -0.366 32.30 Na 5.991e+00 Na+ 5.991e+00 9.488e+00 0.778 0.977 0.200 1.25 - NaOH 3.015e-17 1.198e-16 -16.521 -15.922 0.599 (0) O(0) 4.444e-07 O2 2.222e-07 8.827e-07 -6.653 -6.054 0.599 30.40 @@ -82213,7 +81799,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.776e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.365e-10 + Electrical balance (eq) = 1.366e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -82237,7 +81823,6 @@ N(5) 6.000e+00 NO3- 6.000e+00 2.583e+00 0.778 0.412 -0.366 32.30 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 3.016e-17 1.201e-16 -16.521 -15.921 0.600 (0) O(0) 4.439e-07 O2 2.220e-07 8.836e-07 -6.654 -6.054 0.600 30.40 @@ -82295,7 +81880,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.734e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.113e-10 + Electrical balance (eq) = 8.112e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -82319,7 +81904,6 @@ N(5) 6.207e+00 NO3- 6.207e+00 2.661e+00 0.793 0.425 -0.368 32.36 Na 6.207e+00 Na+ 6.207e+00 1.021e+01 0.793 1.009 0.216 1.30 - NaOH 3.035e-17 1.267e-16 -16.518 -15.897 0.621 (0) O(0) 4.334e-07 O2 2.167e-07 9.049e-07 -6.664 -6.043 0.621 30.40 @@ -82401,7 +81985,6 @@ N(5) 6.452e+00 NO3- 6.452e+00 2.753e+00 0.810 0.440 -0.370 32.43 Na 6.452e+00 Na+ 6.452e+00 1.108e+01 0.810 1.045 0.235 1.35 - NaOH 3.054e-17 1.349e-16 -16.515 -15.870 0.645 (0) O(0) 4.211e-07 O2 2.105e-07 9.300e-07 -6.677 -6.031 0.645 30.40 @@ -82483,7 +82066,6 @@ N(5) 6.794e+00 NO3- 6.794e+00 2.881e+00 0.832 0.460 -0.373 32.52 Na 6.794e+00 Na+ 6.794e+00 1.240e+01 0.832 1.093 0.261 1.42 - NaOH 3.074e-17 1.469e-16 -16.512 -15.833 0.679 (0) O(0) 4.039e-07 O2 2.019e-07 9.652e-07 -6.695 -6.015 0.679 30.40 @@ -82541,7 +82123,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.538e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.265e-13 + Electrical balance (eq) = 2.432e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -82565,7 +82147,6 @@ N(5) 7.186e+00 NO3- 7.186e+00 3.027e+00 0.856 0.481 -0.375 32.62 Na 7.186e+00 Na+ 7.186e+00 1.406e+01 0.856 1.148 0.292 1.50 - NaOH 3.089e-17 1.616e-16 -16.510 -15.792 0.719 (0) O(0) 3.844e-07 O2 1.922e-07 1.005e-06 -6.716 -5.998 0.719 30.40 @@ -82623,7 +82204,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.472e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-12 + Electrical balance (eq) = 1.132e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -82647,7 +82228,6 @@ N(5) 7.520e+00 NO3- 7.520e+00 3.151e+00 0.876 0.498 -0.378 32.71 Na 7.520e+00 Na+ 7.520e+00 1.562e+01 0.876 1.194 0.317 1.57 - NaOH 3.095e-17 1.748e-16 -16.509 -15.757 0.752 (0) O(0) 3.681e-07 O2 1.840e-07 1.040e-06 -6.735 -5.983 0.752 30.40 @@ -82705,7 +82285,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.453e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.430e-12 + Electrical balance (eq) = 3.304e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -82729,7 +82309,6 @@ N(5) 7.619e+00 NO3- 7.619e+00 3.188e+00 0.882 0.503 -0.378 32.74 Na 7.619e+00 Na+ 7.619e+00 1.611e+01 0.882 1.207 0.325 1.59 - NaOH 3.096e-17 1.789e-16 -16.509 -15.747 0.762 (0) O(0) 3.633e-07 O2 1.817e-07 1.050e-06 -6.741 -5.979 0.762 30.40 @@ -82811,7 +82390,6 @@ N(5) 7.917e+00 NO3- 7.917e+00 3.297e+00 0.899 0.518 -0.380 32.81 Na 7.917e+00 Na+ 7.917e+00 1.766e+01 0.899 1.247 0.348 1.65 - NaOH 3.096e-17 1.916e-16 -16.509 -15.718 0.792 (0) O(0) 3.491e-07 O2 1.746e-07 1.080e-06 -6.758 -5.966 0.792 30.40 @@ -82869,7 +82447,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.324e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.852e-14 + Electrical balance (eq) = 1.981e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 @@ -82893,7 +82471,6 @@ N(5) 8.305e+00 NO3- 8.305e+00 3.440e+00 0.919 0.537 -0.383 32.91 Na 8.305e+00 Na+ 8.305e+00 1.986e+01 0.919 1.298 0.379 1.72 - NaOH 3.091e-17 2.092e-16 -16.510 -15.679 0.830 (0) O(0) 3.310e-07 O2 1.655e-07 1.120e-06 -6.781 -5.951 0.830 30.40 @@ -82951,7 +82528,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.236e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.498e-14 + Electrical balance (eq) = -3.439e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -82975,7 +82552,6 @@ N(5) 8.791e+00 NO3- 8.791e+00 3.618e+00 0.944 0.558 -0.386 33.03 Na 8.791e+00 Na+ 8.791e+00 2.296e+01 0.944 1.361 0.417 1.81 - NaOH 3.077e-17 2.329e-16 -16.512 -15.633 0.879 (0) O(0) 3.091e-07 O2 1.545e-07 1.170e-06 -6.811 -5.932 0.879 30.40 @@ -83057,7 +82633,6 @@ N(5) 9.224e+00 NO3- 9.224e+00 3.776e+00 0.965 0.577 -0.388 33.14 Na 9.224e+00 Na+ 9.224e+00 2.605e+01 0.965 1.416 0.451 1.89 - NaOH 3.058e-17 2.558e-16 -16.514 -15.592 0.922 (0) O(0) 2.903e-07 O2 1.452e-07 1.214e-06 -6.838 -5.916 0.922 30.40 @@ -83139,7 +82714,6 @@ N(5) 9.260e+00 NO3- 9.260e+00 3.789e+00 0.967 0.578 -0.388 33.15 Na 9.260e+00 Na+ 9.260e+00 2.632e+01 0.967 1.420 0.454 1.90 - NaOH 3.057e-17 2.578e-16 -16.515 -15.589 0.926 (0) O(0) 2.888e-07 O2 1.444e-07 1.218e-06 -6.840 -5.914 0.926 30.40 @@ -83197,7 +82771,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.039e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.691e-10 + Electrical balance (eq) = 2.689e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -83221,7 +82795,6 @@ N(5) 9.970e+00 NO3- 9.970e+00 4.046e+00 0.999 0.607 -0.392 33.32 Na 9.970e+00 Na+ 9.970e+00 3.224e+01 0.999 1.508 0.510 2.02 - NaOH 3.017e-17 2.996e-16 -16.520 -15.524 0.997 (0) O(0) 2.597e-07 O2 1.299e-07 1.290e-06 -6.887 -5.890 0.997 30.40 @@ -83279,7 +82852,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.384e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.823e-12 + Electrical balance (eq) = 1.470e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -83303,7 +82876,6 @@ N(5) 1.063e+01 NO3- 1.063e+01 4.283e+00 1.026 0.632 -0.395 33.47 Na 1.063e+01 Na+ 1.063e+01 3.875e+01 1.026 1.588 0.562 2.14 - NaOH 2.971e-17 3.433e-16 -16.527 -15.464 1.063 (0) O(0) 2.346e-07 O2 1.173e-07 1.356e-06 -6.931 -5.868 1.063 30.40 @@ -83361,7 +82933,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.198e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.047e-13 + Electrical balance (eq) = 8.089e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -83385,7 +82957,6 @@ N(5) 1.076e+01 NO3- 1.076e+01 4.329e+00 1.032 0.636 -0.395 33.50 Na 1.076e+01 Na+ 1.076e+01 4.014e+01 1.032 1.604 0.572 2.16 - NaOH 2.961e-17 3.524e-16 -16.529 -15.453 1.076 (0) O(0) 2.300e-07 O2 1.150e-07 1.368e-06 -6.939 -5.864 1.076 30.40 @@ -83443,7 +83014,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 8.478e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.049e-14 + Electrical balance (eq) = 5.617e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -83467,7 +83038,6 @@ N(5) 1.127e+01 NO3- 1.127e+01 4.513e+00 1.052 0.654 -0.397 33.62 Na 1.127e+01 Na+ 1.127e+01 4.618e+01 1.052 1.664 0.613 2.24 - NaOH 2.920e-17 3.910e-16 -16.535 -15.408 1.127 (0) O(0) 2.120e-07 O2 1.060e-07 1.419e-06 -6.975 -5.848 1.127 30.40 diff --git a/mytest/Vm_salt_101.sel b/mytest/Vm_salt_101.sel index ef55ad113..4c7a37da4 100644 --- a/mytest/Vm_salt_101.sel +++ b/mytest/Vm_salt_101.sel @@ -120,944 +120,944 @@ 9.446737220899 1042929.6992952193 9.809250597875 1036224.2467490562 0.000000100644 0.0547821292 - 0.004107107471 494.2358538163 - 0.009920110755 1168.5695548957 - 0.010110110839 1190.2975168030 - 0.010290110917 1210.8664449932 - 0.041200118738 4595.9432508127 - 0.050020120105 5525.4520823999 - 0.050030120106 5526.4991436291 - 0.052243120420 5757.8565527286 - 0.052500120456 5784.6790145335 - 0.057600121140 6315.0649092285 - 0.058200121217 6377.2333577144 - 0.061770121665 6746.1760606645 - 0.063200121838 6893.5099892903 - 0.066620122242 7244.8675737218 - 0.076990123371 8302.0526490674 - 0.079400123616 8546.0820702279 - 0.080040123680 8610.7860931670 - 0.093300124921 9942.3641929735 - 0.094850125057 10096.9456936913 - 0.098600125377 10470.0548753948 - 0.099450125448 10554.4563766705 - 0.099700125469 10579.2685521812 - 0.099890125485 10598.1222319950 - 0.099900125486 10599.1144455419 - 0.100000125494 10609.0361117341 - 0.100000125494 10609.0361117341 - 0.100000125494 10609.0361117341 - 0.100000125494 10609.0361117341 - 0.100200125511 10628.8768865153 - 0.100390125526 10647.7224679864 - 0.100390125526 10647.7224679864 - 0.100900125569 10698.2928138573 - 0.103490125780 10954.7727436801 - 0.110940126364 11689.4568828225 - 0.112400126474 11832.9167456625 - 0.119760127014 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6.793770102348 197519.2864133092 + 7.185660103902 198824.4791904874 + 7.519930105180 199595.3095835235 + 7.619040105550 199768.1958970394 + 7.916770106634 200145.5319743142 + 8.304690107984 200342.1944935053 + 8.791290109570 200170.9142416624 + 9.224000110871 199678.0049624352 + 9.259790110974 199624.2786264031 + 9.969660112854 198197.9557590845 + 10.628140114310 196346.8570356613 + 10.755340114558 195939.8037251357 + 11.267610115441 194160.6834707737 diff --git a/mytest/Vm_salt_65.out b/mytest/Vm_salt_65.out index 59b30d752..4a8a39afa 100644 --- a/mytest/Vm_salt_65.out +++ b/mytest/Vm_salt_65.out @@ -1226,7 +1226,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.435 Charge balance - pe = 0.213 Adjusted to redox equilibrium + pe = 0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 19513 Density (g/cm³) = 0.98446 Volume (L) = 1.02172 @@ -1234,10 +1234,10 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.629e-17 + Total alkalinity (eq/kg) = 2.608e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.25 - Electrical balance (eq) = 2.148e-15 + Electrical balance (eq) = 2.166e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -1254,22 +1254,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.511e-02 -1.000 -1.124 -0.124 18.30 HCl 6.717e-09 7.409e-09 -8.173 -8.130 0.043 (0) -H(0) 4.910e-17 - H2 2.455e-17 2.512e-17 -16.610 -16.600 0.010 28.58 +H(0) 3.088e-17 + H2 1.544e-17 1.580e-17 -16.811 -16.801 0.010 28.58 Na 1.000e-01 Na+ 1.000e-01 7.698e-02 -1.000 -1.114 -0.114 0.19 - NaOH 2.567e-18 2.627e-18 -17.591 -17.581 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -47.811 -47.801 0.010 32.59 + O2 0.000e+00 0.000e+00 -47.408 -47.398 0.010 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.46 -16.60 -3.14 H2 + H2(g) -13.66 -16.80 -3.14 H2 H2O(g) -0.61 -0.00 0.61 H2O Halite -3.84 -2.24 1.60 NaCl - O2(g) -44.72 -47.80 -3.08 O2 + O2(g) -44.32 -47.40 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1305,7 +1304,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.428 Charge balance - pe = -0.033 Adjusted to redox equilibrium + pe = 0.332 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 39748 Density (g/cm³) = 0.98897 Volume (L) = 1.02396 @@ -1313,12 +1312,12 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.167e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.849e-17 + Total alkalinity (eq/kg) = 2.233e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.25 - Electrical balance (eq) = -1.958e-13 + Electrical balance (eq) = -1.684e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1333,22 +1332,21 @@ Reaction 1. Cl 2.167e-01 Cl- 2.167e-01 1.498e-01 -0.664 -0.824 -0.160 18.49 HCl 1.216e-08 1.504e-08 -7.915 -7.823 0.092 (0) -H(0) 1.542e-16 - H2 7.708e-17 8.102e-17 -16.113 -16.091 0.022 28.58 +H(0) 2.861e-17 + H2 1.430e-17 1.503e-17 -16.845 -16.823 0.022 28.58 Na 2.167e-01 Na+ 2.167e-01 1.573e-01 -0.664 -0.803 -0.139 0.34 - NaOH 4.998e-18 5.254e-18 -17.301 -17.280 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.843 -48.822 0.022 32.59 + O2 0.000e+00 0.000e+00 -47.380 -47.359 0.022 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.95 -16.09 -3.14 H2 + H2(g) -13.68 -16.82 -3.14 H2 H2O(g) -0.61 -0.00 0.61 H2O Halite -3.23 -1.63 1.60 NaCl - O2(g) -45.74 -48.82 -3.08 O2 + O2(g) -44.28 -47.36 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1384,7 +1382,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.426 Charge balance - pe = 0.280 Adjusted to redox equilibrium + pe = 0.575 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 46269 Density (g/cm³) = 0.99049 Volume (L) = 1.02472 @@ -1392,12 +1390,12 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.562e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.942e-16 + Total alkalinity (eq/kg) = -1.017e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -1.058e-09 + Electrical balance (eq) = -4.207e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1412,22 +1410,21 @@ Reaction 1. Cl 2.562e-01 Cl- 2.562e-01 1.738e-01 -0.591 -0.760 -0.168 18.54 HCl 1.363e-08 1.752e-08 -7.866 -7.756 0.109 (0) -H(0) 3.633e-17 - H2 1.817e-17 1.927e-17 -16.741 -16.715 0.026 28.58 +H(0) 9.363e-18 + H2 4.682e-18 4.966e-18 -17.330 -17.304 0.026 28.58 Na 2.562e-01 Na+ 2.562e-01 1.839e-01 -0.591 -0.736 -0.144 0.37 - NaOH 5.758e-18 6.108e-18 -17.240 -17.214 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -47.601 -47.575 0.026 32.59 + O2 0.000e+00 0.000e+00 -46.423 -46.398 0.026 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.58 -16.72 -3.14 H2 + H2(g) -14.17 -17.30 -3.14 H2 H2O(g) -0.61 -0.00 0.61 H2O Halite -3.09 -1.50 1.60 NaCl - O2(g) -44.50 -47.58 -3.08 O2 + O2(g) -43.32 -46.40 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1463,7 +1460,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.422 Charge balance - pe = 0.373 Adjusted to redox equilibrium + pe = 0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 61162 Density (g/cm³) = 0.99403 Volume (L) = 1.02655 @@ -1471,12 +1468,12 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.494e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.776e-17 + Total alkalinity (eq/kg) = 4.962e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -8.504e-13 + Electrical balance (eq) = -2.439e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1491,22 +1488,21 @@ Reaction 1. Cl 3.494e-01 Cl- 3.494e-01 2.288e-01 -0.457 -0.640 -0.184 18.64 HCl 1.651e-08 2.326e-08 -7.782 -7.633 0.149 (0) -H(0) 2.363e-17 - H2 1.181e-17 1.280e-17 -16.928 -16.893 0.035 28.58 +H(0) 5.890e-17 + H2 2.945e-17 3.192e-17 -16.531 -16.496 0.035 28.58 Na 3.494e-01 Na+ 3.494e-01 2.464e-01 -0.457 -0.608 -0.152 0.45 - NaOH 7.466e-18 8.091e-18 -17.127 -17.092 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -47.258 -47.223 0.035 32.59 + O2 0.000e+00 0.000e+00 -48.051 -48.016 0.035 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.75 -16.89 -3.14 H2 + H2(g) -13.36 -16.50 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.85 -1.25 1.60 NaCl - O2(g) -44.15 -47.22 -3.08 O2 + O2(g) -44.94 -48.02 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1542,7 +1538,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.418 Charge balance - pe = 7.999 Adjusted to redox equilibrium + pe = 0.068 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 86795 Density (g/cm³) = 1.00040 Volume (L) = 1.02992 @@ -1550,12 +1546,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.190e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.206e-16 + Total alkalinity (eq/kg) = -2.677e-18 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -1.986e-11 + Electrical balance (eq) = -1.813e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1570,22 +1566,21 @@ Reaction 1. Cl 5.190e-01 Cl- 5.190e-01 3.252e-01 -0.285 -0.488 -0.203 18.80 HCl 2.010e-08 3.342e-08 -7.697 -7.476 0.221 (0) -H(0) 1.300e-32 - H2 6.501e-33 7.326e-33 -32.187 -32.135 0.052 28.58 +H(0) 9.466e-17 + H2 4.733e-17 5.334e-17 -16.325 -16.273 0.052 28.58 Na 5.190e-01 Na+ 5.190e-01 3.610e-01 -0.285 -0.443 -0.158 0.56 - NaOH 1.034e-17 1.166e-17 -16.985 -16.933 0.052 (0) -O(0) 3.205e-17 - O2 1.603e-17 1.806e-17 -16.795 -16.743 0.052 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -48.519 -48.468 0.052 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -29.00 -32.14 -3.14 H2 + H2(g) -13.13 -16.27 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.53 -0.93 1.60 NaCl - O2(g) -13.67 -16.74 -3.08 O2 + O2(g) -45.39 -48.47 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1621,7 +1616,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.417 Charge balance - pe = 8.307 Adjusted to redox equilibrium + pe = 0.120 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 88040 Density (g/cm³) = 1.00072 Volume (L) = 1.03009 @@ -1629,12 +1624,12 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.275e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.160e-17 + Total alkalinity (eq/kg) = 7.254e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -6.137e-12 + Electrical balance (eq) = -9.406e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 56 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1649,22 +1644,21 @@ Reaction 1. Cl 5.275e-01 Cl- 5.275e-01 3.300e-01 -0.278 -0.482 -0.204 18.81 HCl 2.023e-08 3.393e-08 -7.694 -7.469 0.225 (0) -H(0) 3.140e-33 - H2 1.570e-33 1.773e-33 -32.804 -32.751 0.053 28.58 +H(0) 7.422e-17 + H2 3.711e-17 4.190e-17 -16.430 -16.378 0.053 28.58 Na 5.275e-01 Na+ 5.275e-01 3.668e-01 -0.278 -0.436 -0.158 0.56 - NaOH 1.048e-17 1.183e-17 -16.980 -16.927 0.053 (0) -O(0) 5.459e-16 - O2 2.729e-16 3.082e-16 -15.564 -15.511 0.053 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -48.311 -48.258 0.053 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -29.61 -32.75 -3.14 H2 + H2(g) -13.24 -16.38 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.52 -0.92 1.60 NaCl - O2(g) -12.43 -15.51 -3.08 O2 + O2(g) -45.18 -48.26 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1700,7 +1694,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.415 Charge balance - pe = 0.616 Adjusted to redox equilibrium + pe = 8.033 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 102123 Density (g/cm³) = 1.00436 Volume (L) = 1.03207 @@ -1708,12 +1702,12 @@ Reaction 1. Activity of water = 0.979 Ionic strength (mol/kgw) = 6.258e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.889e-19 + Total alkalinity (eq/kg) = 2.534e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -4.429e-11 + Electrical balance (eq) = -4.336e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 7 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1728,22 +1722,21 @@ Reaction 1. Cl 6.258e-01 Cl- 6.258e-01 3.843e-01 -0.204 -0.415 -0.212 18.88 HCl 2.151e-08 3.971e-08 -7.667 -7.401 0.266 (0) -H(0) 7.466e-18 - H2 3.733e-18 4.312e-18 -17.428 -17.365 0.063 28.58 +H(0) 1.096e-32 + H2 5.478e-33 6.328e-33 -32.261 -32.199 0.063 28.58 Na 6.258e-01 Na+ 6.258e-01 4.346e-01 -0.204 -0.362 -0.158 0.61 - NaOH 1.204e-17 1.390e-17 -16.919 -16.857 0.063 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.349 -46.286 0.063 32.59 +O(0) 4.161e-17 + O2 2.081e-17 2.403e-17 -16.682 -16.619 0.063 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -14.23 -17.37 -3.14 H2 + H2(g) -29.06 -32.20 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.38 -0.78 1.60 NaCl - O2(g) -43.21 -46.29 -3.08 O2 + O2(g) -13.54 -16.62 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1779,7 +1772,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.412 Charge balance - pe = 0.173 Adjusted to redox equilibrium + pe = 0.270 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 123131 Density (g/cm³) = 1.00998 Volume (L) = 1.03520 @@ -1787,12 +1780,12 @@ Reaction 1. Activity of water = 0.974 Ionic strength (mol/kgw) = 7.790e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.836e-17 + Total alkalinity (eq/kg) = 1.820e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -4.459e-09 + Electrical balance (eq) = -2.223e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1807,22 +1800,21 @@ Reaction 1. Cl 7.790e-01 Cl- 7.790e-01 4.677e-01 -0.108 -0.330 -0.222 18.98 HCl 2.268e-08 4.866e-08 -7.644 -7.313 0.332 (0) -H(0) 5.614e-17 - H2 2.807e-17 3.359e-17 -16.552 -16.474 0.078 28.58 +H(0) 3.591e-17 + H2 1.796e-17 2.148e-17 -16.746 -16.668 0.078 28.58 Na 7.790e-01 Na+ 7.790e-01 5.430e-01 -0.108 -0.265 -0.157 0.68 - NaOH 1.434e-17 1.716e-17 -16.843 -16.765 0.078 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.152 -48.074 0.078 32.59 + O2 0.000e+00 0.000e+00 -47.763 -47.686 0.078 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.34 -16.47 -3.14 H2 + H2(g) -13.53 -16.67 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.19 -0.60 1.60 NaCl - O2(g) -45.00 -48.07 -3.08 O2 + O2(g) -44.61 -47.69 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1858,7 +1850,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.411 Charge balance - pe = 0.057 Adjusted to redox equilibrium + pe = 0.400 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 135795 Density (g/cm³) = 1.01348 Volume (L) = 1.03717 @@ -1866,12 +1858,12 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 8.753e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.619e-17 + Total alkalinity (eq/kg) = -5.082e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -3.137e-10 + Electrical balance (eq) = -3.928e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1886,22 +1878,21 @@ Reaction 1. Cl 8.753e-01 Cl- 8.752e-01 5.195e-01 -0.058 -0.284 -0.227 19.04 HCl 2.301e-08 5.425e-08 -7.638 -7.266 0.373 (0) -H(0) 9.452e-17 - H2 4.726e-17 5.781e-17 -16.326 -16.238 0.088 28.58 +H(0) 1.948e-17 + H2 9.742e-18 1.192e-17 -17.011 -16.924 0.088 28.58 Na 8.753e-01 Na+ 8.753e-01 6.130e-01 -0.058 -0.213 -0.155 0.72 - NaOH 1.573e-17 1.924e-17 -16.803 -16.716 0.088 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.636 -48.548 0.088 32.59 + O2 0.000e+00 0.000e+00 -47.264 -47.177 0.088 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.10 -16.24 -3.14 H2 + H2(g) -13.79 -16.92 -3.14 H2 H2O(g) -0.62 -0.01 0.61 H2O Halite -2.10 -0.50 1.60 NaCl - O2(g) -45.47 -48.55 -3.08 O2 + O2(g) -44.10 -47.18 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1937,7 +1928,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.409 Charge balance - pe = 0.154 Adjusted to redox equilibrium + pe = -0.074 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 151635 Density (g/cm³) = 1.01797 Volume (L) = 1.03976 @@ -1945,12 +1936,12 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.710e-18 + Total alkalinity (eq/kg) = -1.774e-18 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -3.229e-11 + Electrical balance (eq) = -2.092e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1965,22 +1956,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 5.863e-01 -0.000 -0.232 -0.232 19.11 HCl 2.307e-08 6.148e-08 -7.637 -7.211 0.426 (0) -H(0) 5.938e-17 - H2 2.969e-17 3.738e-17 -16.527 -16.427 0.100 28.58 +H(0) 1.691e-16 + H2 8.455e-17 1.064e-16 -16.073 -15.973 0.100 28.58 Na 1.000e+00 Na+ 1.000e+00 7.063e-01 0.000 -0.151 -0.151 0.77 - NaOH 1.746e-17 2.198e-17 -16.758 -16.658 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.273 -48.173 0.100 32.59 + O2 0.000e+00 0.000e+00 -49.182 -49.082 0.100 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.29 -16.43 -3.14 H2 + H2(g) -12.83 -15.97 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.98 -0.38 1.60 NaCl - O2(g) -45.10 -48.17 -3.08 O2 + O2(g) -46.00 -49.08 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2016,7 +2006,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.407 Charge balance - pe = -0.013 Adjusted to redox equilibrium + pe = 2.024 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 164330 Density (g/cm³) = 1.02168 Volume (L) = 1.04192 @@ -2024,12 +2014,12 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.104e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.163e-16 + Total alkalinity (eq/kg) = -8.821e-18 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -2.755e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Electrical balance (eq) = 2.119e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2044,22 +2034,21 @@ Reaction 1. Cl 1.104e+00 Cl- 1.104e+00 6.415e-01 0.043 -0.193 -0.236 19.17 HCl 2.288e-08 6.748e-08 -7.641 -7.171 0.470 (0) -H(0) 1.255e-16 - H2 6.273e-17 8.088e-17 -16.203 -16.092 0.110 28.58 +H(0) 1.059e-20 + H2 5.293e-21 6.825e-21 -20.276 -20.166 0.110 28.58 Na 1.104e+00 Na+ 1.104e+00 7.861e-01 0.043 -0.105 -0.147 0.80 - NaOH 1.884e-17 2.429e-17 -16.725 -16.614 0.110 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.957 -48.847 0.110 32.59 + O2 0.000e+00 0.000e+00 -40.810 -40.699 0.110 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.95 -16.09 -3.14 H2 + H2(g) -17.03 -20.17 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.90 -0.30 1.60 NaCl - O2(g) -45.77 -48.85 -3.08 O2 + O2(g) -37.62 -40.70 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2095,7 +2084,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.406 Charge balance - pe = 0.075 Adjusted to redox equilibrium + pe = -0.312 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 178718 Density (g/cm³) = 1.02599 Volume (L) = 1.04447 @@ -2103,12 +2092,12 @@ Reaction 1. Activity of water = 0.958 Ionic strength (mol/kgw) = 1.225e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.516e-17 + Total alkalinity (eq/kg) = 5.607e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.24 - Electrical balance (eq) = -3.997e-15 + Electrical balance (eq) = -4.745e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2123,22 +2112,21 @@ Reaction 1. Cl 1.225e+00 Cl- 1.225e+00 7.061e-01 0.088 -0.151 -0.239 19.23 HCl 2.243e-08 7.453e-08 -7.649 -7.128 0.522 (0) -H(0) 8.223e-17 - H2 4.112e-17 5.452e-17 -16.386 -16.263 0.123 28.58 +H(0) 4.887e-16 + H2 2.444e-16 3.240e-16 -15.612 -15.489 0.123 28.58 Na 1.225e+00 Na+ 1.225e+00 8.827e-01 0.088 -0.054 -0.142 0.84 - NaOH 2.042e-17 2.707e-17 -16.690 -16.568 0.123 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.631 -48.508 0.123 32.59 + O2 0.000e+00 0.000e+00 -50.179 -50.056 0.123 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.13 -16.26 -3.14 H2 + H2(g) -12.35 -15.49 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.80 -0.21 1.60 NaCl - O2(g) -45.43 -48.51 -3.08 O2 + O2(g) -46.98 -50.06 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2174,7 +2162,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.403 Charge balance - pe = 0.182 Adjusted to redox equilibrium + pe = -0.358 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 215170 Density (g/cm³) = 1.03754 Volume (L) = 1.05149 @@ -2182,12 +2170,12 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.556e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.814e-12 + Total alkalinity (eq/kg) = 1.253e-11 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = -6.224e-10 + Electrical balance (eq) = -2.002e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 7 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2202,22 +2190,21 @@ Reaction 1. Cl 1.556e+00 Cl- 1.556e+00 8.815e-01 0.192 -0.055 -0.247 19.37 HCl 2.040e-08 9.376e-08 -7.690 -7.028 0.662 (0) -H(0) 4.727e-17 - H2 2.363e-17 3.382e-17 -16.626 -16.471 0.156 28.58 +H(0) 5.675e-16 + H2 2.837e-16 4.060e-16 -15.547 -15.391 0.156 28.58 Na 1.556e+00 Na+ 1.556e+00 1.162e+00 0.192 0.065 -0.127 0.94 - NaOH 2.443e-17 3.496e-17 -16.612 -16.456 0.156 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.259 -48.104 0.156 32.59 + O2 0.000e+00 0.000e+00 -50.418 -50.262 0.156 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -13.33 -16.47 -3.14 H2 + H2(g) -12.25 -15.39 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.59 0.01 1.60 NaCl - O2(g) -45.03 -48.10 -3.08 O2 + O2(g) -47.18 -50.26 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2253,7 +2240,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.402 Charge balance - pe = -0.446 Adjusted to redox equilibrium + pe = 7.922 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 220649 Density (g/cm³) = 1.03936 Volume (L) = 1.05262 @@ -2261,12 +2248,12 @@ Reaction 1. Activity of water = 0.945 Ionic strength (mol/kgw) = 1.609e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.431e-14 + Total alkalinity (eq/kg) = 1.231e-11 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = -6.194e-10 + Electrical balance (eq) = -1.464e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2280,23 +2267,22 @@ Reaction 1. H2O 5.551e+01 9.453e-01 1.744 -0.024 0.000 18.37 Cl 1.609e+00 Cl- 1.609e+00 9.095e-01 0.207 -0.041 -0.248 19.40 - HCl 2.001e-08 9.684e-08 -7.699 -7.014 0.685 (0) -H(0) 8.416e-16 - H2 4.208e-16 6.095e-16 -15.376 -15.215 0.161 28.58 + HCl 2.001e-08 9.683e-08 -7.699 -7.014 0.685 (0) +H(0) 1.548e-32 + H2 7.740e-33 1.121e-32 -32.111 -31.950 0.161 28.58 Na 1.609e+00 Na+ 1.609e+00 1.210e+00 0.207 0.083 -0.124 0.95 - NaOH 2.504e-17 3.628e-17 -16.601 -16.440 0.161 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.778 -50.617 0.161 32.59 +O(0) 9.861e-18 + O2 4.931e-18 7.142e-18 -17.307 -17.146 0.161 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.08 -15.21 -3.14 H2 + H2(g) -28.81 -31.95 -3.14 H2 H2O(g) -0.63 -0.02 0.61 H2O Halite -1.56 0.04 1.60 NaCl - O2(g) -47.54 -50.62 -3.08 O2 + O2(g) -14.07 -17.15 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2332,7 +2318,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.399 Charge balance - pe = -0.309 Adjusted to redox equilibrium + pe = 0.048 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 258450 Density (g/cm³) = 1.05263 Volume (L) = 1.06105 @@ -2340,12 +2326,12 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.082e-16 + Total alkalinity (eq/kg) = 4.686e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 2.552e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.148e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2360,22 +2346,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.118e+00 0.301 0.048 -0.253 19.54 HCl 1.687e-08 1.197e-07 -7.773 -6.922 0.851 (0) -H(0) 4.147e-16 - H2 2.074e-16 3.286e-16 -15.683 -15.483 0.200 28.58 +H(0) 8.016e-17 + H2 4.008e-17 6.352e-17 -16.397 -16.197 0.200 28.58 Na 2.000e+00 Na+ 2.000e+00 1.582e+00 0.301 0.199 -0.102 1.04 - NaOH 2.932e-17 4.648e-17 -16.533 -16.333 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.293 -50.093 0.200 32.59 + O2 0.000e+00 0.000e+00 -48.865 -48.665 0.200 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.35 -15.48 -3.14 H2 + H2(g) -13.06 -16.20 -3.14 H2 H2O(g) -0.64 -0.03 0.61 H2O Halite -1.35 0.25 1.60 NaCl - O2(g) -47.01 -50.09 -3.08 O2 + O2(g) -45.59 -48.67 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2411,7 +2396,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.398 Charge balance - pe = 8.978 Adjusted to redox equilibrium + pe = -0.628 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 278794 Density (g/cm³) = 1.06037 Volume (L) = 1.06612 @@ -2419,12 +2404,12 @@ Reaction 1. Activity of water = 0.924 Ionic strength (mol/kgw) = 2.233e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.672e-18 + Total alkalinity (eq/kg) = 2.229e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 1.437e-12 + Electrical balance (eq) = 4.118e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 28 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2439,22 +2424,21 @@ Reaction 1. Cl 2.233e+00 Cl- 2.233e+00 1.242e+00 0.349 0.094 -0.255 19.62 HCl 1.497e-08 1.334e-07 -7.825 -6.875 0.950 (0) -H(0) 1.051e-34 - H2 5.257e-35 8.790e-35 -34.279 -34.056 0.223 28.58 +H(0) 1.719e-15 + H2 8.594e-16 1.437e-15 -15.066 -14.843 0.223 28.58 Na 2.233e+00 Na+ 2.233e+00 1.824e+00 0.349 0.261 -0.088 1.10 - NaOH 3.170e-17 5.300e-17 -16.499 -16.276 0.223 (0) -O(0) 1.328e-13 - O2 6.640e-14 1.110e-13 -13.178 -12.955 0.223 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -51.605 -51.381 0.223 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -30.92 -34.06 -3.14 H2 + H2(g) -11.70 -14.84 -3.14 H2 H2O(g) -0.64 -0.03 0.61 H2O Halite -1.24 0.36 1.60 NaCl - O2(g) -9.88 -12.95 -3.08 O2 + O2(g) -48.30 -51.38 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2490,7 +2474,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.397 Charge balance - pe = 0.591 Adjusted to redox equilibrium + pe = -0.247 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 300351 Density (g/cm³) = 1.06913 Volume (L) = 1.07200 @@ -2498,12 +2482,12 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.362e-16 + Total alkalinity (eq/kg) = -3.665e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 2.291e-10 + Electrical balance (eq) = 6.737e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 43 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2518,22 +2502,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.387e+00 0.398 0.142 -0.256 19.70 HCl 1.289e-08 1.493e-07 -7.890 -6.826 1.064 (0) -H(0) 5.925e-18 - H2 2.963e-18 5.268e-18 -17.528 -17.278 0.250 28.58 +H(0) 2.803e-16 + H2 1.401e-16 2.492e-16 -15.853 -15.603 0.250 28.58 Na 2.500e+00 Na+ 2.500e+00 2.124e+00 0.398 0.327 -0.071 1.15 - NaOH 3.429e-17 6.097e-17 -16.465 -16.215 0.250 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.769 -46.519 0.250 32.59 + O2 0.000e+00 0.000e+00 -50.118 -49.868 0.250 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -14.14 -17.28 -3.14 H2 + H2(g) -12.47 -15.60 -3.14 H2 H2O(g) -0.65 -0.04 0.61 H2O Halite -1.13 0.47 1.60 NaCl - O2(g) -43.44 -46.52 -3.08 O2 + O2(g) -46.79 -49.87 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2569,7 +2552,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.397 Charge balance - pe = -0.420 Adjusted to redox equilibrium + pe = -0.505 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 303945 Density (g/cm³) = 1.07066 Volume (L) = 1.07303 @@ -2577,12 +2560,12 @@ Reaction 1. Activity of water = 0.913 Ionic strength (mol/kgw) = 2.547e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.996e-17 + Total alkalinity (eq/kg) = -8.016e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.23 - Electrical balance (eq) = 3.489e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -2.128e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2597,22 +2580,21 @@ Reaction 1. Cl 2.547e+00 Cl- 2.547e+00 1.413e+00 0.406 0.150 -0.256 19.71 HCl 1.254e-08 1.521e-07 -7.902 -6.818 1.084 (0) -H(0) 6.167e-16 - H2 3.083e-16 5.543e-16 -15.511 -15.256 0.255 28.58 +H(0) 9.128e-16 + H2 4.564e-16 8.204e-16 -15.341 -15.086 0.255 28.58 Na 2.547e+00 Na+ 2.547e+00 2.179e+00 0.406 0.338 -0.068 1.16 - NaOH 3.473e-17 6.242e-17 -16.459 -16.205 0.255 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.819 -50.564 0.255 32.59 + O2 0.000e+00 0.000e+00 -51.159 -50.905 0.255 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.12 -15.26 -3.14 H2 + H2(g) -11.95 -15.09 -3.14 H2 H2O(g) -0.65 -0.04 0.61 H2O Halite -1.11 0.49 1.60 NaCl - O2(g) -47.49 -50.56 -3.08 O2 + O2(g) -47.83 -50.90 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2648,7 +2630,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.396 Charge balance - pe = -0.594 Adjusted to redox equilibrium + pe = -0.121 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 338067 Density (g/cm³) = 1.08627 Volume (L) = 1.08390 @@ -2656,12 +2638,12 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.036e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.887e-16 + Total alkalinity (eq/kg) = 1.374e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.22 - Electrical balance (eq) = 1.379e-09 + Electrical balance (eq) = 1.955e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2676,22 +2658,21 @@ Reaction 1. Cl 3.036e+00 Cl- 3.036e+00 1.682e+00 0.482 0.226 -0.256 19.84 HCl 9.263e-09 1.814e-07 -8.033 -6.741 1.292 (0) -H(0) 1.233e-15 - H2 6.163e-16 1.240e-15 -15.210 -14.907 0.304 28.58 +H(0) 1.397e-16 + H2 6.983e-17 1.405e-16 -16.156 -15.852 0.304 28.58 Na 3.036e+00 Na+ 3.036e+00 2.799e+00 0.482 0.447 -0.035 1.25 - NaOH 3.907e-17 7.860e-17 -16.408 -16.105 0.304 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.583 -51.279 0.304 32.59 + O2 0.000e+00 0.000e+00 -49.691 -49.388 0.304 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -11.77 -14.91 -3.14 H2 + H2(g) -12.71 -15.85 -3.14 H2 H2O(g) -0.66 -0.05 0.61 H2O Halite -0.93 0.67 1.60 NaCl - O2(g) -48.20 -51.28 -3.08 O2 + O2(g) -46.31 -49.39 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2727,7 +2708,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.397 Charge balance - pe = -0.376 Adjusted to redox equilibrium + pe = 8.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 389549 Density (g/cm³) = 1.11548 Volume (L) = 1.10548 @@ -2735,12 +2716,12 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 3.989e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.775e-17 + Total alkalinity (eq/kg) = 2.678e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.21 - Electrical balance (eq) = -5.956e-11 + Electrical balance (eq) = -5.513e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2755,22 +2736,21 @@ Reaction 1. Cl 3.989e+00 Cl- 3.989e+00 2.226e+00 0.601 0.347 -0.253 20.05 HCl 4.804e-09 2.396e-07 -8.318 -6.621 1.698 (0) -H(0) 3.600e-16 - H2 1.800e-16 4.510e-16 -15.745 -15.346 0.399 28.58 +H(0) 5.247e-34 + H2 2.624e-34 6.574e-34 -33.581 -33.182 0.399 28.58 Na 3.989e+00 Na+ 3.989e+00 4.292e+00 0.601 0.633 0.032 1.41 - NaOH 4.647e-17 1.164e-16 -16.333 -15.934 0.399 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.832 -50.433 0.399 32.59 +O(0) 1.386e-15 + O2 6.931e-16 1.737e-15 -15.159 -14.760 0.399 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.21 -15.35 -3.14 H2 + H2(g) -30.04 -33.18 -3.14 H2 H2O(g) -0.67 -0.06 0.61 H2O Halite -0.62 0.98 1.60 NaCl - O2(g) -47.36 -50.43 -3.08 O2 + O2(g) -11.68 -14.76 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2806,7 +2786,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.398 Charge balance - pe = -0.147 Adjusted to redox equilibrium + pe = -0.264 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 401278 Density (g/cm³) = 1.12368 Volume (L) = 1.11184 @@ -2814,12 +2794,12 @@ Reaction 1. Activity of water = 0.855 Ionic strength (mol/kgw) = 4.267e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.012e-16 + Total alkalinity (eq/kg) = -3.939e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.21 - Electrical balance (eq) = 3.422e-12 + Electrical balance (eq) = 1.347e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2834,22 +2814,21 @@ Reaction 1. Cl 4.267e+00 Cl- 4.267e+00 2.389e+00 0.630 0.378 -0.252 20.11 HCl 3.922e-09 2.567e-07 -8.406 -6.591 1.816 (0) -H(0) 1.171e-16 - H2 5.853e-17 1.563e-16 -16.233 -15.806 0.427 28.58 +H(0) 2.009e-16 + H2 1.005e-16 2.683e-16 -15.998 -15.571 0.427 28.58 Na 4.267e+00 Na+ 4.267e+00 4.809e+00 0.630 0.682 0.052 1.45 - NaOH 4.839e-17 1.293e-16 -16.315 -15.889 0.427 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.949 -49.522 0.427 32.59 + O2 0.000e+00 0.000e+00 -50.418 -49.992 0.427 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.67 -15.81 -3.14 H2 + H2(g) -12.43 -15.57 -3.14 H2 H2O(g) -0.68 -0.07 0.61 H2O Halite -0.54 1.06 1.60 NaCl - O2(g) -46.44 -49.52 -3.08 O2 + O2(g) -46.91 -49.99 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2885,7 +2864,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.399 Charge balance - pe = -0.727 Adjusted to redox equilibrium + pe = -0.406 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 412470 Density (g/cm³) = 1.13239 Volume (L) = 1.11873 @@ -2893,12 +2872,12 @@ Reaction 1. Activity of water = 0.845 Ionic strength (mol/kgw) = 4.566e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.312e-16 + Total alkalinity (eq/kg) = -6.433e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.21 - Electrical balance (eq) = 4.731e-11 + Electrical balance (eq) = 8.061e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2913,22 +2892,21 @@ Reaction 1. Cl 4.566e+00 Cl- 4.566e+00 2.568e+00 0.660 0.410 -0.250 20.16 HCl 3.138e-09 2.753e-07 -8.503 -6.560 1.943 (0) -H(0) 1.575e-15 - H2 7.873e-16 2.253e-15 -15.104 -14.647 0.457 28.58 +H(0) 3.595e-16 + H2 1.797e-16 5.143e-16 -15.745 -15.289 0.457 28.58 Na 4.566e+00 Na+ 4.566e+00 5.412e+00 0.660 0.733 0.074 1.49 - NaOH 5.035e-17 1.441e-16 -16.298 -15.841 0.457 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.307 -51.850 0.457 32.59 + O2 0.000e+00 0.000e+00 -51.024 -50.567 0.457 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -11.51 -14.65 -3.14 H2 + H2(g) -12.15 -15.29 -3.14 H2 H2O(g) -0.68 -0.07 0.61 H2O Halite -0.46 1.14 1.60 NaCl - O2(g) -48.77 -51.85 -3.08 O2 + O2(g) -47.49 -50.57 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2964,7 +2942,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.404 Charge balance - pe = 8.447 Adjusted to redox equilibrium + pe = -0.157 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 440238 Density (g/cm³) = 1.16025 Volume (L) = 1.14182 @@ -2972,12 +2950,12 @@ Reaction 1. Activity of water = 0.811 Ionic strength (mol/kgw) = 5.557e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.810e-16 + Total alkalinity (eq/kg) = 8.503e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.20 - Electrical balance (eq) = 7.951e-10 + Electrical balance (eq) = 4.451e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -2992,22 +2970,21 @@ Reaction 1. Cl 5.557e+00 Cl- 5.557e+00 3.185e+00 0.745 0.503 -0.242 20.32 HCl 1.457e-09 3.378e-07 -8.837 -6.471 2.365 (0) -H(0) 5.501e-34 - H2 2.750e-34 9.888e-34 -33.561 -33.005 0.556 28.58 +H(0) 8.884e-17 + H2 4.442e-17 1.597e-16 -16.352 -15.797 0.556 28.58 Na 5.557e+00 Na+ 5.557e+00 7.811e+00 0.745 0.893 0.148 1.62 - NaOH 5.612e-17 2.018e-16 -16.251 -15.695 0.556 (0) -O(0) 3.759e-16 - O2 1.880e-16 6.758e-16 -15.726 -15.170 0.556 32.59 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -50.142 -49.587 0.556 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -29.87 -33.00 -3.14 H2 + H2(g) -12.66 -15.80 -3.14 H2 H2O(g) -0.70 -0.09 0.61 H2O Halite -0.20 1.40 1.60 NaCl - O2(g) -12.09 -15.17 -3.08 O2 + O2(g) -46.51 -49.59 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3043,7 +3020,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.405 Charge balance - pe = -0.664 Adjusted to redox equilibrium + pe = 8.326 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 443504 Density (g/cm³) = 1.16456 Volume (L) = 1.14553 @@ -3051,12 +3028,12 @@ Reaction 1. Activity of water = 0.806 Ionic strength (mol/kgw) = 5.716e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.054e-17 + Total alkalinity (eq/kg) = 2.045e-16 Temperature (°C) = 65.00 Pressure (atm) = 0.20 - Electrical balance (eq) = 5.986e-09 + Electrical balance (eq) = 2.155e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3071,22 +3048,21 @@ Reaction 1. Cl 5.716e+00 Cl- 5.716e+00 3.287e+00 0.757 0.517 -0.240 20.34 HCl 1.285e-09 3.479e-07 -8.891 -6.459 2.433 (0) -H(0) 8.836e-16 - H2 4.418e-16 1.647e-15 -15.355 -14.783 0.572 28.58 +H(0) 9.227e-34 + H2 4.613e-34 1.720e-33 -33.336 -32.764 0.572 28.58 Na 5.716e+00 Na+ 5.716e+00 8.258e+00 0.757 0.917 0.160 1.64 - NaOH 5.694e-17 2.123e-16 -16.245 -15.673 0.572 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -52.191 -51.619 0.572 32.59 +O(0) 1.182e-16 + O2 5.909e-17 2.203e-16 -16.228 -15.657 0.572 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -11.65 -14.78 -3.14 H2 + H2(g) -29.63 -32.76 -3.14 H2 H2O(g) -0.70 -0.09 0.61 H2O Halite -0.16 1.43 1.60 NaCl - O2(g) -48.54 -51.62 -3.08 O2 + O2(g) -12.58 -15.66 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3122,7 +3098,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.406 Charge balance - pe = -0.263 Adjusted to redox equilibrium + pe = 8.291 Adjusted to redox equilibrium Specific Conductance (µS/cm, 65°C) = 447192 Density (g/cm³) = 1.16991 Volume (L) = 1.15020 @@ -3130,12 +3106,12 @@ Reaction 1. Activity of water = 0.799 Ionic strength (mol/kgw) = 5.914e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.263e-16 + Total alkalinity (eq/kg) = 5.767e-17 Temperature (°C) = 65.00 Pressure (atm) = 0.20 - Electrical balance (eq) = -1.535e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Electrical balance (eq) = 4.428e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 34 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -3150,22 +3126,21 @@ Reaction 1. Cl 5.914e+00 Cl- 5.914e+00 3.416e+00 0.772 0.534 -0.238 20.37 HCl 1.097e-09 3.606e-07 -8.960 -6.443 2.517 (0) -H(0) 1.321e-16 - H2 6.607e-17 2.578e-16 -16.180 -15.589 0.591 28.58 +H(0) 1.033e-33 + H2 5.163e-34 2.015e-33 -33.287 -32.696 0.591 28.58 Na 5.914e+00 Na+ 5.914e+00 8.844e+00 0.772 0.947 0.175 1.67 - NaOH 5.793e-17 2.261e-16 -16.237 -15.646 0.591 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.607 -50.016 0.591 32.59 +O(0) 8.092e-17 + O2 4.046e-17 1.579e-16 -16.393 -15.802 0.591 32.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(338 K, 0 atm) - H2(g) -12.45 -15.59 -3.14 H2 + H2(g) -29.56 -32.70 -3.14 H2 H2O(g) -0.71 -0.10 0.61 H2O Halite -0.12 1.48 1.60 NaCl - O2(g) -46.94 -50.02 -3.08 O2 + O2(g) -12.72 -15.80 -3.08 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8436,7 +8411,7 @@ Reaction 1. pH = 6.210 Charge balance pe = 7.472 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 307908 + Specific Conductance (µS/cm, 80°C) = 307907 Density (g/cm³) = 1.22919 Volume (L) = 1.08221 Viscosity (mPa s) = 0.57194 @@ -8621,7 +8596,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.664 Charge balance - pe = 7.598 Adjusted to redox equilibrium + pe = 7.600 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 20124 Density (g/cm³) = 0.98098 Volume (L) = 1.02663 @@ -8629,9 +8604,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.137e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.119e-17 + Total alkalinity (eq/kg) = 5.308e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.698e-12 + Electrical balance (eq) = 2.941e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -8645,19 +8620,18 @@ Reaction 1. OH- 1.294e-06 9.456e-07 -5.888 -6.024 -0.136 -3.84 H+ 2.690e-07 2.166e-07 -6.570 -6.664 -0.094 0.00 H2O 5.551e+01 9.978e-01 1.744 -0.001 0.000 18.48 -H(0) 2.685e-32 - H2 1.342e-32 1.378e-32 -31.872 -31.861 0.011 28.58 +H(0) 2.667e-32 + H2 1.333e-32 1.369e-32 -31.875 -31.864 0.011 28.58 Na 1.000e-01 Na+ 8.186e-02 6.200e-02 -1.087 -1.208 -0.121 0.40 NaSO4- 1.814e-02 1.385e-02 -1.741 -1.859 -0.117 -0.91 - NaOH 5.711e-18 5.862e-18 -17.243 -17.232 0.011 (0) -O(0) 2.806e-15 - O2 1.403e-15 1.440e-15 -14.853 -14.842 0.011 32.99 +O(0) 2.843e-15 + O2 1.422e-15 1.459e-15 -14.847 -14.836 0.011 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.294 -95.430 -0.136 21.29 - H2S 0.000e+00 0.000e+00 -95.551 -95.540 0.011 43.89 - S-2 0.000e+00 0.000e+00 -99.925 -100.410 -0.485 (0) - (H2S)2 0.000e+00 0.000e+00 -192.001 -191.990 0.011 26.89 + HS- 0.000e+00 0.000e+00 -95.306 -95.442 -0.136 21.29 + H2S 0.000e+00 0.000e+00 -95.563 -95.551 0.011 43.89 + S-2 0.000e+00 0.000e+00 -99.936 -100.422 -0.485 (0) + (H2S)2 0.000e+00 0.000e+00 -192.024 -192.013 0.011 26.89 S(6) 5.000e-02 SO4-2 3.186e-02 1.031e-02 -1.497 -1.987 -0.490 25.05 NaSO4- 1.814e-02 1.385e-02 -1.741 -1.859 -0.117 -0.91 @@ -8669,10 +8643,10 @@ S(6) 5.000e-02 H2(g) -28.73 -31.86 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -94.16 -102.09 -7.94 H2S + H2S(g) -94.17 -102.11 -7.94 H2S Mirabilite -4.55 -4.41 0.14 Na2SO4:10H2O O2(g) -11.74 -14.84 -3.10 O2 - Sulfur -70.90 -67.01 3.88 S + Sulfur -70.90 -67.02 3.88 S Thenardite -3.84 -4.40 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8710,7 +8684,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.670 Charge balance - pe = 7.516 Adjusted to redox equilibrium + pe = 7.517 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 21642 Density (g/cm³) = 0.98152 Volume (L) = 1.02670 @@ -8718,9 +8692,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 1.225e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.388e-15 + Total alkalinity (eq/kg) = -6.121e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = -6.421e-11 + Electrical balance (eq) = -5.553e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8734,19 +8708,18 @@ Reaction 1. OH- 1.323e-06 9.587e-07 -5.878 -6.018 -0.140 -3.81 H+ 2.663e-07 2.136e-07 -6.575 -6.670 -0.096 0.00 H2O 5.551e+01 9.976e-01 1.744 -0.001 0.000 18.48 -H(0) 3.799e-32 - H2 1.899e-32 1.954e-32 -31.721 -31.709 0.012 28.58 +H(0) 3.785e-32 + H2 1.893e-32 1.947e-32 -31.723 -31.711 0.012 28.58 Na 1.088e-01 Na+ 8.846e-02 6.660e-02 -1.053 -1.177 -0.123 0.41 NaSO4- 2.038e-02 1.546e-02 -1.691 -1.811 -0.120 -0.50 - NaOH 6.207e-18 6.385e-18 -17.207 -17.195 0.012 (0) -O(0) 1.392e-15 - O2 6.961e-16 7.160e-16 -15.157 -15.145 0.012 32.99 +O(0) 1.402e-15 + O2 7.011e-16 7.211e-16 -15.154 -15.142 0.012 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.673 -94.813 -0.140 21.31 - H2S 0.000e+00 0.000e+00 -94.940 -94.928 0.012 43.89 - S-2 0.000e+00 0.000e+00 -99.290 -99.787 -0.497 (0) - (H2S)2 0.000e+00 0.000e+00 -190.779 -190.767 0.012 26.89 + HS- 0.000e+00 0.000e+00 -94.679 -94.819 -0.140 21.31 + H2S 0.000e+00 0.000e+00 -94.946 -94.934 0.012 43.89 + S-2 0.000e+00 0.000e+00 -99.296 -99.793 -0.497 (0) + (H2S)2 0.000e+00 0.000e+00 -190.791 -190.779 0.012 26.89 S(6) 5.442e-02 SO4-2 3.404e-02 1.072e-02 -1.468 -1.970 -0.502 25.40 NaSO4- 2.038e-02 1.546e-02 -1.691 -1.811 -0.120 -0.50 @@ -8758,10 +8731,10 @@ S(6) 5.442e-02 H2(g) -28.58 -31.71 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -93.54 -101.48 -7.94 H2S + H2S(g) -93.55 -101.49 -7.94 H2S Mirabilite -4.48 -4.33 0.14 Na2SO4:10H2O - O2(g) -12.05 -15.15 -3.10 O2 - Sulfur -70.44 -66.55 3.88 S + O2(g) -12.04 -15.14 -3.10 O2 + Sulfur -70.44 -66.56 3.88 S Thenardite -3.76 -4.32 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8799,7 +8772,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.708 Charge balance - pe = 7.542 Adjusted to redox equilibrium + pe = 7.543 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 34848 Density (g/cm³) = 0.98648 Volume (L) = 1.02745 @@ -8807,9 +8780,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.998e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.132e-17 + Total alkalinity (eq/kg) = 2.881e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.207e-12 + Electrical balance (eq) = 1.440e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -8823,19 +8796,18 @@ Reaction 1. OH- 1.525e-06 1.043e-06 -5.817 -5.982 -0.165 -3.58 H+ 2.508e-07 1.960e-07 -6.601 -6.708 -0.107 0.00 H2O 5.551e+01 9.959e-01 1.744 -0.002 0.000 18.48 -H(0) 2.798e-32 - H2 1.399e-32 1.465e-32 -31.854 -31.834 0.020 28.58 +H(0) 2.786e-32 + H2 1.393e-32 1.458e-32 -31.856 -31.836 0.020 28.58 Na 1.909e-01 Na+ 1.476e-01 1.070e-01 -0.831 -0.971 -0.140 0.50 NaSO4- 4.332e-02 3.153e-02 -1.363 -1.501 -0.138 2.39 - NaOH 1.065e-17 1.115e-17 -16.973 -16.953 0.020 (0) -O(0) 2.424e-15 - O2 1.212e-15 1.269e-15 -14.916 -14.896 0.020 32.99 +O(0) 2.446e-15 + O2 1.223e-15 1.281e-15 -14.913 -14.893 0.020 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.078 -95.244 -0.165 21.46 - H2S 0.000e+00 0.000e+00 -95.416 -95.396 0.020 43.89 - S-2 0.000e+00 0.000e+00 -99.605 -100.180 -0.575 (0) - (H2S)2 0.000e+00 0.000e+00 -191.723 -191.703 0.020 26.89 + HS- 0.000e+00 0.000e+00 -95.086 -95.251 -0.165 21.46 + H2S 0.000e+00 0.000e+00 -95.424 -95.404 0.020 43.89 + S-2 0.000e+00 0.000e+00 -99.613 -100.188 -0.575 (0) + (H2S)2 0.000e+00 0.000e+00 -191.738 -191.718 0.020 26.89 S(6) 9.547e-02 SO4-2 5.214e-02 1.361e-02 -1.283 -1.866 -0.583 28.01 NaSO4- 4.332e-02 3.153e-02 -1.363 -1.501 -0.138 2.39 @@ -8845,11 +8817,11 @@ S(6) 9.547e-02 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.70 -31.83 -3.13 H2 + H2(g) -28.70 -31.84 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -94.01 -101.95 -7.94 H2S + H2S(g) -94.02 -101.96 -7.94 H2S Mirabilite -3.97 -3.83 0.14 Na2SO4:10H2O - O2(g) -11.80 -14.90 -3.10 O2 + O2(g) -11.79 -14.89 -3.10 O2 Sulfur -70.78 -66.90 3.88 S Thenardite -3.25 -3.81 -0.56 Na2SO4 @@ -8888,7 +8860,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.710 Charge balance - pe = -0.973 Adjusted to redox equilibrium + pe = -0.975 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 36226 Density (g/cm³) = 0.98702 Volume (L) = 1.02754 @@ -8896,9 +8868,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 2.079e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.503e-17 + Total alkalinity (eq/kg) = -9.704e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 7.028e-11 + Electrical balance (eq) = 7.098e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -8912,19 +8884,18 @@ Reaction 1. OH- 1.542e-06 1.049e-06 -5.812 -5.979 -0.167 -3.56 H+ 2.498e-07 1.948e-07 -6.602 -6.710 -0.108 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.48 -H(0) 2.956e-15 - H2 1.478e-15 1.550e-15 -14.830 -14.810 0.021 28.58 +H(0) 2.980e-15 + H2 1.490e-15 1.563e-15 -14.827 -14.806 0.021 28.58 Na 2.000e-01 Na+ 1.540e-01 1.112e-01 -0.813 -0.954 -0.141 0.51 NaSO4- 4.604e-02 3.340e-02 -1.337 -1.476 -0.139 2.65 - NaOH 1.113e-17 1.167e-17 -16.954 -16.933 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.967 -48.946 0.021 32.99 -S(-2) 1.549e-27 - HS- 1.066e-27 7.249e-28 -26.972 -27.140 -0.167 21.47 - H2S 4.834e-28 5.071e-28 -27.316 -27.295 0.021 43.89 - S-2 3.225e-32 8.443e-33 -31.491 -32.074 -0.582 (0) - (H2S)2 0.000e+00 0.000e+00 -55.521 -55.500 0.021 26.89 + O2 0.000e+00 0.000e+00 -48.974 -48.953 0.021 32.99 +S(-2) 1.600e-27 + HS- 1.101e-27 7.487e-28 -26.958 -27.126 -0.167 21.47 + H2S 4.992e-28 5.237e-28 -27.302 -27.281 0.021 43.89 + S-2 3.331e-32 8.720e-33 -31.477 -32.059 -0.582 (0) + (H2S)2 0.000e+00 0.000e+00 -55.493 -55.472 0.021 26.89 S(6) 1.000e-01 SO4-2 5.395e-02 1.386e-02 -1.268 -1.858 -0.590 28.25 NaSO4- 4.604e-02 3.340e-02 -1.337 -1.476 -0.139 2.65 @@ -8934,12 +8905,12 @@ S(6) 1.000e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.68 -14.81 -3.13 H2 + H2(g) -11.67 -14.81 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O - H2S(g) -25.91 -33.85 -7.94 H2S + H2S(g) -25.90 -33.84 -7.94 H2S Mirabilite -3.93 -3.78 0.14 Na2SO4:10H2O O2(g) -45.85 -48.95 -3.10 O2 - Sulfur -19.70 -15.82 3.88 S + Sulfur -19.69 -15.81 3.88 S Thenardite -3.21 -3.77 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -8985,9 +8956,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 2.193e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.525e-17 + Total alkalinity (eq/kg) = 2.574e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = -4.056e-13 + Electrical balance (eq) = -1.612e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9001,19 +8972,18 @@ Reaction 1. OH- 1.565e-06 1.058e-06 -5.805 -5.976 -0.170 -3.53 H+ 2.484e-07 1.932e-07 -6.605 -6.714 -0.109 0.00 H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 18.48 -H(0) 3.777e-32 - H2 1.889e-32 1.986e-32 -31.724 -31.702 0.022 28.58 +H(0) 3.774e-32 + H2 1.887e-32 1.985e-32 -31.724 -31.702 0.022 28.58 Na 2.128e-01 Na+ 1.629e-01 1.172e-01 -0.788 -0.931 -0.143 0.52 NaSO4- 4.994e-02 3.606e-02 -1.302 -1.443 -0.141 2.99 - NaOH 1.179e-17 1.240e-17 -16.928 -16.907 0.022 (0) -O(0) 1.312e-15 - O2 6.558e-16 6.898e-16 -15.183 -15.161 0.022 32.99 +O(0) 1.314e-15 + O2 6.568e-16 6.908e-16 -15.183 -15.161 0.022 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.532 -94.702 -0.170 21.49 - H2S 0.000e+00 0.000e+00 -94.883 -94.861 0.022 43.89 - S-2 0.000e+00 0.000e+00 -99.041 -99.632 -0.591 (0) - (H2S)2 0.000e+00 0.000e+00 -190.654 -190.632 0.022 26.89 + HS- 0.000e+00 0.000e+00 -94.533 -94.703 -0.170 21.49 + H2S 0.000e+00 0.000e+00 -94.884 -94.862 0.022 43.89 + S-2 0.000e+00 0.000e+00 -99.042 -99.633 -0.591 (0) + (H2S)2 0.000e+00 0.000e+00 -190.657 -190.635 0.022 26.89 S(6) 1.064e-01 SO4-2 5.647e-02 1.419e-02 -1.248 -1.848 -0.600 28.58 NaSO4- 4.994e-02 3.606e-02 -1.302 -1.443 -0.141 2.99 @@ -9028,7 +8998,7 @@ S(6) 1.064e-01 H2S(g) -93.48 -101.42 -7.94 H2S Mirabilite -3.87 -3.73 0.14 Na2SO4:10H2O O2(g) -12.06 -15.16 -3.10 O2 - Sulfur -70.38 -66.49 3.88 S + Sulfur -70.38 -66.50 3.88 S Thenardite -3.15 -3.71 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9066,7 +9036,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.732 Charge balance - pe = 7.466 Adjusted to redox equilibrium + pe = 7.469 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 50655 Density (g/cm³) = 0.99297 Volume (L) = 1.02853 @@ -9074,9 +9044,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 2.944e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.182e-15 + Total alkalinity (eq/kg) = -3.035e-15 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.405e-10 + Electrical balance (eq) = 1.249e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 @@ -9090,19 +9060,18 @@ Reaction 1. OH- 1.693e-06 1.102e-06 -5.771 -5.958 -0.187 -3.33 H+ 2.417e-07 1.851e-07 -6.617 -6.732 -0.116 0.00 H2O 5.551e+01 9.937e-01 1.744 -0.003 0.000 18.48 -H(0) 3.462e-32 - H2 1.731e-32 1.853e-32 -31.762 -31.732 0.029 28.58 +H(0) 3.409e-32 + H2 1.704e-32 1.824e-32 -31.768 -31.739 0.029 28.58 Na 3.000e-01 Na+ 2.222e-01 1.569e-01 -0.653 -0.804 -0.151 0.59 NaSO4- 7.779e-02 5.474e-02 -1.109 -1.262 -0.153 4.93 - NaOH 1.615e-17 1.728e-17 -16.792 -16.762 0.029 (0) -O(0) 1.477e-15 - O2 7.383e-16 7.901e-16 -15.132 -15.102 0.029 32.99 +O(0) 1.524e-15 + O2 7.618e-16 8.152e-16 -15.118 -15.089 0.029 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.597 -94.784 -0.187 21.60 - H2S 0.000e+00 0.000e+00 -94.990 -94.961 0.029 43.89 - S-2 0.000e+00 0.000e+00 -99.055 -99.695 -0.640 (0) - (H2S)2 0.000e+00 0.000e+00 -190.862 -190.832 0.029 26.89 + HS- 0.000e+00 0.000e+00 -94.624 -94.811 -0.187 21.60 + H2S 0.000e+00 0.000e+00 -95.017 -94.988 0.029 43.89 + S-2 0.000e+00 0.000e+00 -99.083 -99.722 -0.640 (0) + (H2S)2 0.000e+00 0.000e+00 -190.916 -190.886 0.029 26.89 S(6) 1.500e-01 NaSO4- 7.779e-02 5.474e-02 -1.109 -1.262 -0.153 4.93 SO4-2 7.220e-02 1.611e-02 -1.141 -1.793 -0.652 30.54 @@ -9112,12 +9081,12 @@ S(6) 1.500e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.60 -31.73 -3.13 H2 + H2(g) -28.61 -31.74 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -93.58 -101.52 -7.94 H2S + H2S(g) -93.60 -101.54 -7.94 H2S Mirabilite -3.57 -3.43 0.14 Na2SO4:10H2O - O2(g) -12.00 -15.10 -3.10 O2 - Sulfur -70.45 -66.56 3.88 S + O2(g) -11.99 -15.09 -3.10 O2 + Sulfur -70.47 -66.58 3.88 S Thenardite -2.84 -3.40 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9155,7 +9124,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.744 Charge balance - pe = 7.522 Adjusted to redox equilibrium + pe = 7.519 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 62656 Density (g/cm³) = 0.99826 Volume (L) = 1.02949 @@ -9163,9 +9132,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.681e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.805e-17 + Total alkalinity (eq/kg) = -3.196e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 6.577e-11 + Electrical balance (eq) = 5.564e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -9179,19 +9148,18 @@ Reaction 1. OH- 1.789e-06 1.130e-06 -5.747 -5.947 -0.200 -3.15 H+ 2.379e-07 1.802e-07 -6.624 -6.744 -0.121 0.00 H2O 5.551e+01 9.919e-01 1.744 -0.004 0.000 18.48 -H(0) 2.489e-32 - H2 1.245e-32 1.355e-32 -31.905 -31.868 0.037 28.58 +H(0) 2.524e-32 + H2 1.262e-32 1.374e-32 -31.899 -31.862 0.037 28.58 Na 3.900e-01 Na+ 2.815e-01 1.964e-01 -0.550 -0.707 -0.156 0.64 NaSO4- 1.085e-01 7.484e-02 -0.965 -1.126 -0.161 6.50 - NaOH 2.038e-17 2.218e-17 -16.691 -16.654 0.037 (0) -O(0) 2.706e-15 - O2 1.353e-15 1.473e-15 -14.869 -14.832 0.037 32.99 +O(0) 2.631e-15 + O2 1.316e-15 1.432e-15 -14.881 -14.844 0.037 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.098 -95.298 -0.200 21.70 - H2S 0.000e+00 0.000e+00 -95.523 -95.487 0.037 43.89 - S-2 0.000e+00 0.000e+00 -99.521 -100.198 -0.677 (0) - (H2S)2 0.000e+00 0.000e+00 -191.921 -191.884 0.037 26.89 + HS- 0.000e+00 0.000e+00 -95.074 -95.273 -0.200 21.70 + H2S 0.000e+00 0.000e+00 -95.499 -95.462 0.037 43.89 + S-2 0.000e+00 0.000e+00 -99.496 -100.173 -0.677 (0) + (H2S)2 0.000e+00 0.000e+00 -191.872 -191.835 0.037 26.89 S(6) 1.950e-01 NaSO4- 1.085e-01 7.484e-02 -0.965 -1.126 -0.161 6.50 SO4-2 8.653e-02 1.759e-02 -1.063 -1.755 -0.692 32.22 @@ -9201,12 +9169,12 @@ S(6) 1.950e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.74 -31.87 -3.13 H2 + H2(g) -28.73 -31.86 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -94.10 -102.04 -7.94 H2S + H2S(g) -94.08 -102.02 -7.94 H2S Mirabilite -3.35 -3.20 0.14 Na2SO4:10H2O - O2(g) -11.73 -14.83 -3.10 O2 - Sulfur -70.84 -66.95 3.88 S + O2(g) -11.75 -14.84 -3.10 O2 + Sulfur -70.82 -66.94 3.88 S Thenardite -2.61 -3.17 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9244,7 +9212,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.746 Charge balance - pe = -0.952 Adjusted to redox equilibrium + pe = -0.956 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 64949 Density (g/cm³) = 0.99931 Volume (L) = 1.02968 @@ -9252,9 +9220,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.823e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.229e-17 + Total alkalinity (eq/kg) = 9.130e-18 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.768e-12 + Electrical balance (eq) = 1.698e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9268,19 +9236,18 @@ Reaction 1. OH- 1.805e-06 1.134e-06 -5.744 -5.945 -0.202 -3.12 H+ 2.373e-07 1.795e-07 -6.625 -6.746 -0.121 0.00 H2O 5.551e+01 9.916e-01 1.744 -0.004 0.000 18.48 -H(0) 2.190e-15 - H2 1.095e-15 1.196e-15 -14.961 -14.922 0.038 28.58 +H(0) 2.228e-15 + H2 1.114e-15 1.216e-15 -14.953 -14.915 0.038 28.58 Na 4.079e-01 Na+ 2.931e-01 2.041e-01 -0.533 -0.690 -0.157 0.65 NaSO4- 1.147e-01 7.891e-02 -0.940 -1.103 -0.163 6.77 - NaOH 2.119e-17 2.314e-17 -16.674 -16.636 0.038 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.762 -48.724 0.038 32.99 -S(-2) 6.755e-28 - HS- 4.928e-28 3.096e-28 -27.307 -27.509 -0.202 21.72 - H2S 1.827e-28 1.996e-28 -27.738 -27.700 0.038 43.89 - S-2 1.889e-32 3.914e-33 -31.724 -32.407 -0.684 (0) - (H2S)2 0.000e+00 0.000e+00 -56.349 -56.310 0.038 26.89 + O2 0.000e+00 0.000e+00 -48.777 -48.739 0.038 32.99 +S(-2) 7.229e-28 + HS- 5.274e-28 3.314e-28 -27.278 -27.480 -0.202 21.72 + H2S 1.956e-28 2.136e-28 -27.709 -27.670 0.038 43.89 + S-2 2.021e-32 4.189e-33 -31.694 -32.378 -0.684 (0) + (H2S)2 0.000e+00 0.000e+00 -56.290 -56.251 0.038 26.89 S(6) 2.039e-01 NaSO4- 1.147e-01 7.891e-02 -0.940 -1.103 -0.163 6.77 SO4-2 8.919e-02 1.784e-02 -1.050 -1.748 -0.699 32.52 @@ -9290,12 +9257,12 @@ S(6) 2.039e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.79 -14.92 -3.13 H2 + H2(g) -11.78 -14.91 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -26.32 -34.26 -7.94 H2S + H2S(g) -26.29 -34.23 -7.94 H2S Mirabilite -3.31 -3.17 0.14 Na2SO4:10H2O - O2(g) -45.63 -48.72 -3.10 O2 - Sulfur -19.99 -16.11 3.88 S + O2(g) -45.64 -48.74 -3.10 O2 + Sulfur -19.97 -16.09 3.88 S Thenardite -2.57 -3.13 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9333,7 +9300,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.747 Charge balance - pe = -1.011 Adjusted to redox equilibrium + pe = -1.021 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 66391 Density (g/cm³) = 0.99997 Volume (L) = 1.02981 @@ -9341,9 +9308,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 3.913e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.043e-16 + Total alkalinity (eq/kg) = 8.235e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.232e-13 + Electrical balance (eq) = 2.884e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9357,19 +9324,18 @@ Reaction 1. OH- 1.814e-06 1.136e-06 -5.741 -5.944 -0.203 -3.10 H+ 2.370e-07 1.790e-07 -6.625 -6.747 -0.122 0.00 H2O 5.551e+01 9.913e-01 1.744 -0.004 0.000 18.48 -H(0) 2.852e-15 - H2 1.426e-15 1.561e-15 -14.846 -14.807 0.039 28.58 +H(0) 2.985e-15 + H2 1.493e-15 1.633e-15 -14.826 -14.787 0.039 28.58 Na 4.192e-01 Na+ 3.005e-01 2.090e-01 -0.522 -0.680 -0.158 0.66 NaSO4- 1.188e-01 8.150e-02 -0.925 -1.089 -0.163 6.94 - NaOH 2.170e-17 2.375e-17 -16.663 -16.624 0.039 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.994 -48.955 0.039 32.99 -S(-2) 1.975e-27 - HS- 1.443e-27 9.042e-28 -26.841 -27.044 -0.203 21.73 - H2S 5.312e-28 5.813e-28 -27.275 -27.236 0.039 43.89 - S-2 5.578e-32 1.146e-32 -31.254 -31.941 -0.687 (0) - (H2S)2 0.000e+00 0.000e+00 -55.421 -55.382 0.039 26.89 + O2 0.000e+00 0.000e+00 -49.034 -48.995 0.039 32.99 +S(-2) 2.370e-27 + HS- 1.732e-27 1.085e-27 -26.761 -26.965 -0.203 21.73 + H2S 6.375e-28 6.976e-28 -27.196 -27.156 0.039 43.89 + S-2 6.693e-32 1.375e-32 -31.174 -31.862 -0.687 (0) + (H2S)2 0.000e+00 0.000e+00 -55.262 -55.223 0.039 26.89 S(6) 2.096e-01 NaSO4- 1.188e-01 8.150e-02 -0.925 -1.089 -0.163 6.94 SO4-2 9.086e-02 1.800e-02 -1.042 -1.745 -0.703 32.71 @@ -9379,12 +9345,12 @@ S(6) 2.096e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.67 -14.81 -3.13 H2 + H2(g) -11.65 -14.79 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -25.85 -33.79 -7.94 H2S + H2S(g) -25.77 -33.71 -7.94 H2S Mirabilite -3.29 -3.14 0.14 Na2SO4:10H2O - O2(g) -45.86 -48.96 -3.10 O2 - Sulfur -19.65 -15.76 3.88 S + O2(g) -45.90 -48.99 -3.10 O2 + Sulfur -19.59 -15.70 3.88 S Thenardite -2.54 -3.10 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9422,7 +9388,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.751 Charge balance - pe = 7.517 Adjusted to redox equilibrium + pe = 7.516 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 72953 Density (g/cm³) = 1.00303 Volume (L) = 1.03040 @@ -9430,9 +9396,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 4.326e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.841e-17 + Total alkalinity (eq/kg) = 5.985e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 8.174e-12 + Electrical balance (eq) = 7.594e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -9446,19 +9412,18 @@ Reaction 1. OH- 1.855e-06 1.146e-06 -5.732 -5.941 -0.209 -3.00 H+ 2.359e-07 1.773e-07 -6.627 -6.751 -0.124 0.00 H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.48 -H(0) 2.434e-32 - H2 1.217e-32 1.344e-32 -31.915 -31.871 0.043 28.58 +H(0) 2.444e-32 + H2 1.222e-32 1.350e-32 -31.913 -31.870 0.043 28.58 Na 4.720e-01 Na+ 3.343e-01 2.316e-01 -0.476 -0.635 -0.159 0.68 NaSO4- 1.377e-01 9.368e-02 -0.861 -1.028 -0.167 7.68 - NaOH 2.403e-17 2.655e-17 -16.619 -16.576 0.043 (0) -O(0) 2.698e-15 - O2 1.349e-15 1.490e-15 -14.870 -14.827 0.043 32.99 +O(0) 2.676e-15 + O2 1.338e-15 1.478e-15 -14.873 -14.830 0.043 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.080 -95.289 -0.209 21.78 - H2S 0.000e+00 0.000e+00 -95.529 -95.485 0.043 43.89 - S-2 0.000e+00 0.000e+00 -99.478 -100.182 -0.704 (0) - (H2S)2 0.000e+00 0.000e+00 -191.924 -191.881 0.043 26.89 + HS- 0.000e+00 0.000e+00 -95.073 -95.282 -0.209 21.78 + H2S 0.000e+00 0.000e+00 -95.522 -95.478 0.043 43.89 + S-2 0.000e+00 0.000e+00 -99.471 -100.175 -0.704 (0) + (H2S)2 0.000e+00 0.000e+00 -191.910 -191.867 0.043 26.89 S(6) 2.360e-01 NaSO4- 1.377e-01 9.368e-02 -0.861 -1.028 -0.167 7.68 SO4-2 9.831e-02 1.867e-02 -1.007 -1.729 -0.721 33.55 @@ -9470,10 +9435,10 @@ S(6) 2.360e-01 H2(g) -28.74 -31.87 -3.13 H2 H2O(g) -0.43 -0.00 0.42 H2O - H2S(g) -94.10 -102.04 -7.94 H2S + H2S(g) -94.09 -102.03 -7.94 H2S Mirabilite -3.18 -3.04 0.14 Na2SO4:10H2O O2(g) -11.73 -14.83 -3.10 O2 - Sulfur -70.83 -66.95 3.88 S + Sulfur -70.83 -66.94 3.88 S Thenardite -2.44 -3.00 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9511,7 +9476,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.759 Charge balance - pe = 7.522 Adjusted to redox equilibrium + pe = 7.517 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 91332 Density (g/cm³) = 1.01208 Volume (L) = 1.03224 @@ -9519,9 +9484,9 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 5.515e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.239e-17 + Total alkalinity (eq/kg) = 3.725e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = -9.515e-14 + Electrical balance (eq) = -2.667e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -9535,19 +9500,18 @@ Reaction 1. OH- 1.946e-06 1.163e-06 -5.711 -5.934 -0.223 -2.75 H+ 2.343e-07 1.742e-07 -6.630 -6.759 -0.129 0.00 H2O 5.551e+01 9.873e-01 1.744 -0.006 0.000 18.48 -H(0) 2.229e-32 - H2 1.114e-32 1.265e-32 -31.953 -31.898 0.055 28.58 +H(0) 2.284e-32 + H2 1.142e-32 1.297e-32 -31.942 -31.887 0.055 28.58 Na 6.296e-01 Na+ 4.331e-01 2.982e-01 -0.363 -0.526 -0.162 0.75 NaSO4- 1.964e-01 1.309e-01 -0.707 -0.883 -0.176 9.55 - NaOH 3.055e-17 3.469e-17 -16.515 -16.460 0.055 (0) -O(0) 2.946e-15 - O2 1.473e-15 1.672e-15 -14.832 -14.777 0.055 32.99 +O(0) 2.805e-15 + O2 1.402e-15 1.592e-15 -14.853 -14.798 0.055 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.138 -95.362 -0.223 21.91 - H2S 0.000e+00 0.000e+00 -95.621 -95.566 0.055 43.89 - S-2 0.000e+00 0.000e+00 -99.502 -100.247 -0.745 (0) - (H2S)2 0.000e+00 0.000e+00 -192.097 -192.042 0.055 26.89 + HS- 0.000e+00 0.000e+00 -95.096 -95.319 -0.223 21.91 + H2S 0.000e+00 0.000e+00 -95.578 -95.523 0.055 43.89 + S-2 0.000e+00 0.000e+00 -99.460 -100.204 -0.745 (0) + (H2S)2 0.000e+00 0.000e+00 -192.011 -191.956 0.055 26.89 S(6) 3.148e-01 NaSO4- 1.964e-01 1.309e-01 -0.707 -0.883 -0.176 9.55 SO4-2 1.184e-01 2.026e-02 -0.927 -1.693 -0.767 35.73 @@ -9557,12 +9521,12 @@ S(6) 3.148e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.77 -31.90 -3.13 H2 + H2(g) -28.75 -31.89 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -94.18 -102.12 -7.94 H2S + H2S(g) -94.14 -102.08 -7.94 H2S Mirabilite -2.94 -2.80 0.14 Na2SO4:10H2O - O2(g) -11.68 -14.78 -3.10 O2 - Sulfur -70.88 -67.00 3.88 S + O2(g) -11.70 -14.80 -3.10 O2 + Sulfur -70.85 -66.97 3.88 S Thenardite -2.18 -2.74 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9608,10 +9572,10 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.628e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.085e-17 + Total alkalinity (eq/kg) = 1.222e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = -1.171e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.308e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 Total O = 5.707390e+01 @@ -9624,19 +9588,18 @@ Reaction 1. OH- 2.005e-06 1.169e-06 -5.698 -5.932 -0.234 -2.51 H+ 2.345e-07 1.729e-07 -6.630 -6.762 -0.132 0.00 H2O 5.551e+01 9.844e-01 1.744 -0.007 0.000 18.48 -H(0) 2.105e-32 - H2 1.053e-32 1.226e-32 -31.978 -31.911 0.066 28.58 +H(0) 2.108e-32 + H2 1.054e-32 1.228e-32 -31.977 -31.911 0.066 28.58 Na 7.838e-01 Na+ 5.274e-01 3.628e-01 -0.278 -0.440 -0.162 0.80 NaSO4- 2.565e-01 1.683e-01 -0.591 -0.774 -0.183 11.03 - NaOH 3.640e-17 4.240e-17 -16.439 -16.373 0.066 (0) -O(0) 3.039e-15 - O2 1.520e-15 1.770e-15 -14.818 -14.752 0.066 32.99 +O(0) 3.030e-15 + O2 1.515e-15 1.765e-15 -14.820 -14.753 0.066 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.156 -95.390 -0.234 22.02 - H2S 0.000e+00 0.000e+00 -95.664 -95.597 0.066 43.89 - S-2 0.000e+00 0.000e+00 -99.498 -100.272 -0.775 (0) - (H2S)2 0.000e+00 0.000e+00 -192.172 -192.105 0.066 26.89 + HS- 0.000e+00 0.000e+00 -95.153 -95.388 -0.234 22.02 + H2S 0.000e+00 0.000e+00 -95.661 -95.595 0.066 43.89 + S-2 0.000e+00 0.000e+00 -99.495 -100.270 -0.775 (0) + (H2S)2 0.000e+00 0.000e+00 -192.166 -192.100 0.066 26.89 S(6) 3.919e-01 NaSO4- 2.565e-01 1.683e-01 -0.591 -0.774 -0.183 11.03 SO4-2 1.354e-01 2.140e-02 -0.868 -1.670 -0.801 37.56 @@ -9650,7 +9613,7 @@ S(6) 3.919e-01 H2O(g) -0.43 -0.01 0.42 H2O H2S(g) -94.21 -102.15 -7.94 H2S Mirabilite -2.76 -2.62 0.14 Na2SO4:10H2O - O2(g) -11.65 -14.75 -3.10 O2 + O2(g) -11.66 -14.75 -3.10 O2 Sulfur -70.90 -67.02 3.88 S Thenardite -1.99 -2.55 -0.56 Na2SO4 @@ -9689,7 +9652,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.762 Charge balance - pe = 7.450 Adjusted to redox equilibrium + pe = 7.458 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 107999 Density (g/cm³) = 1.02089 Volume (L) = 1.03417 @@ -9697,9 +9660,9 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.639e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.559e-16 + Total alkalinity (eq/kg) = 1.341e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = -7.040e-11 + Electrical balance (eq) = -4.217e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -9713,19 +9676,18 @@ Reaction 1. OH- 2.005e-06 1.169e-06 -5.698 -5.932 -0.234 -2.51 H+ 2.345e-07 1.729e-07 -6.630 -6.762 -0.132 0.00 H2O 5.551e+01 9.843e-01 1.744 -0.007 0.000 18.48 -H(0) 2.988e-32 - H2 1.494e-32 1.741e-32 -31.826 -31.759 0.066 28.58 +H(0) 2.877e-32 + H2 1.438e-32 1.676e-32 -31.842 -31.776 0.066 28.58 Na 7.854e-01 Na+ 5.283e-01 3.635e-01 -0.277 -0.440 -0.162 0.80 NaSO4- 2.571e-01 1.686e-01 -0.590 -0.773 -0.183 11.04 - NaOH 3.645e-17 4.247e-17 -16.438 -16.372 0.066 (0) -O(0) 1.507e-15 - O2 7.536e-16 8.781e-16 -15.123 -15.056 0.066 32.99 +O(0) 1.626e-15 + O2 8.132e-16 9.476e-16 -15.090 -15.023 0.066 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.547 -94.781 -0.234 22.02 - H2S 0.000e+00 0.000e+00 -95.055 -94.988 0.066 43.89 - S-2 0.000e+00 0.000e+00 -98.888 -99.663 -0.775 (0) - (H2S)2 0.000e+00 0.000e+00 -190.953 -190.887 0.066 26.89 + HS- 0.000e+00 0.000e+00 -94.613 -94.847 -0.234 22.02 + H2S 0.000e+00 0.000e+00 -95.121 -95.054 0.066 43.89 + S-2 0.000e+00 0.000e+00 -98.954 -99.729 -0.775 (0) + (H2S)2 0.000e+00 0.000e+00 -191.086 -191.019 0.066 26.89 S(6) 3.927e-01 NaSO4- 2.571e-01 1.686e-01 -0.590 -0.773 -0.183 11.04 SO4-2 1.356e-01 2.141e-02 -0.868 -1.669 -0.802 37.58 @@ -9735,12 +9697,12 @@ S(6) 3.927e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.63 -31.76 -3.13 H2 + H2(g) -28.64 -31.78 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -93.60 -101.54 -7.94 H2S + H2S(g) -93.67 -101.61 -7.94 H2S Mirabilite -2.76 -2.62 0.14 Na2SO4:10H2O - O2(g) -11.96 -15.06 -3.10 O2 - Sulfur -70.45 -66.56 3.88 S + O2(g) -11.93 -15.02 -3.10 O2 + Sulfur -70.50 -66.61 3.88 S Thenardite -1.99 -2.55 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9778,7 +9740,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.763 Charge balance - pe = -1.212 Adjusted to redox equilibrium + pe = -1.194 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 123694 Density (g/cm³) = 1.02975 Volume (L) = 1.03623 @@ -9786,9 +9748,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 7.744e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.862e-17 + Total alkalinity (eq/kg) = 5.947e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 5.546e-14 + Electrical balance (eq) = 5.485e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9802,19 +9764,18 @@ Reaction 1. OH- 2.045e-06 1.167e-06 -5.689 -5.933 -0.244 -2.29 H+ 2.358e-07 1.727e-07 -6.627 -6.763 -0.135 0.00 H2O 5.551e+01 9.814e-01 1.744 -0.008 0.000 18.48 -H(0) 6.119e-15 - H2 3.060e-15 3.657e-15 -14.514 -14.437 0.077 28.58 +H(0) 5.624e-15 + H2 2.812e-15 3.361e-15 -14.551 -14.474 0.077 28.58 Na 9.442e-01 Na+ 6.233e-01 4.300e-01 -0.205 -0.367 -0.161 0.85 NaSO4- 3.209e-01 2.078e-01 -0.494 -0.682 -0.189 12.33 - NaOH 4.197e-17 5.016e-17 -16.377 -16.300 0.077 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.781 -49.704 0.077 32.99 -S(-2) 7.705e-26 - HS- 5.945e-26 3.392e-26 -25.226 -25.470 -0.244 22.12 - H2S 1.760e-26 2.103e-26 -25.755 -25.677 0.077 43.89 - S-2 2.812e-30 4.457e-31 -29.551 -30.351 -0.800 (0) - (H2S)2 0.000e+00 0.000e+00 -52.342 -52.265 0.077 26.89 + O2 0.000e+00 0.000e+00 -49.708 -49.630 0.077 32.99 +S(-2) 5.498e-26 + HS- 4.242e-26 2.420e-26 -25.372 -25.616 -0.244 22.12 + H2S 1.256e-26 1.501e-26 -25.901 -25.824 0.077 43.89 + S-2 2.007e-30 3.180e-31 -29.698 -30.498 -0.800 (0) + (H2S)2 0.000e+00 0.000e+00 -52.635 -52.558 0.077 26.89 S(6) 4.721e-01 NaSO4- 3.209e-01 2.078e-01 -0.494 -0.682 -0.189 12.33 SO4-2 1.512e-01 2.231e-02 -0.821 -1.652 -0.831 39.24 @@ -9824,12 +9785,12 @@ S(6) 4.721e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.30 -14.44 -3.13 H2 + H2(g) -11.34 -14.47 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -24.29 -32.23 -7.94 H2S + H2S(g) -24.44 -32.38 -7.94 H2S Mirabilite -2.61 -2.47 0.14 Na2SO4:10H2O - O2(g) -46.61 -49.70 -3.10 O2 - Sulfur -18.46 -14.58 3.88 S + O2(g) -46.53 -49.63 -3.10 O2 + Sulfur -18.57 -14.69 3.88 S Thenardite -1.82 -2.38 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9867,7 +9828,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.763 Charge balance - pe = -1.100 Adjusted to redox equilibrium + pe = -1.094 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 127834 Density (g/cm³) = 1.03218 Volume (L) = 1.03681 @@ -9875,9 +9836,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 8.044e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.621e-17 + Total alkalinity (eq/kg) = 1.164e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.044e-13 + Electrical balance (eq) = 1.093e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9891,19 +9852,18 @@ Reaction 1. OH- 2.053e-06 1.165e-06 -5.688 -5.934 -0.246 -2.23 H+ 2.363e-07 1.727e-07 -6.627 -6.763 -0.136 0.00 H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.48 -H(0) 3.636e-15 - H2 1.818e-15 2.188e-15 -14.740 -14.660 0.080 28.58 +H(0) 3.530e-15 + H2 1.765e-15 2.124e-15 -14.753 -14.673 0.080 28.58 Na 9.882e-01 Na+ 6.493e-01 4.485e-01 -0.188 -0.348 -0.161 0.86 NaSO4- 3.389e-01 2.188e-01 -0.470 -0.660 -0.190 12.66 - NaOH 4.342e-17 5.226e-17 -16.362 -16.282 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.339 -49.258 0.080 32.99 -S(-2) 1.003e-26 - HS- 7.758e-27 4.403e-27 -26.110 -26.356 -0.246 22.15 - H2S 2.269e-27 2.731e-27 -26.644 -26.564 0.080 43.89 - S-2 3.701e-31 5.783e-32 -30.432 -31.238 -0.806 (0) - (H2S)2 0.000e+00 0.000e+00 -54.118 -54.038 0.080 26.89 + O2 0.000e+00 0.000e+00 -49.313 -49.233 0.080 32.99 +S(-2) 8.915e-27 + HS- 6.897e-27 3.915e-27 -26.161 -26.407 -0.246 22.15 + H2S 2.018e-27 2.428e-27 -26.695 -26.615 0.080 43.89 + S-2 3.290e-31 5.141e-32 -30.483 -31.289 -0.806 (0) + (H2S)2 0.000e+00 0.000e+00 -54.220 -54.140 0.080 26.89 S(6) 4.941e-01 NaSO4- 3.389e-01 2.188e-01 -0.470 -0.660 -0.190 12.66 SO4-2 1.552e-01 2.252e-02 -0.809 -1.648 -0.838 39.66 @@ -9913,12 +9873,12 @@ S(6) 4.941e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.53 -14.66 -3.13 H2 + H2(g) -11.54 -14.67 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -25.18 -33.12 -7.94 H2S + H2S(g) -25.23 -33.17 -7.94 H2S Mirabilite -2.57 -2.43 0.14 Na2SO4:10H2O - O2(g) -46.16 -49.26 -3.10 O2 - Sulfur -19.12 -15.24 3.88 S + O2(g) -46.13 -49.23 -3.10 O2 + Sulfur -19.16 -15.28 3.88 S Thenardite -1.78 -2.34 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -9956,7 +9916,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.763 Charge balance - pe = -1.154 Adjusted to redox equilibrium + pe = -1.173 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 128498 Density (g/cm³) = 1.03258 Volume (L) = 1.03691 @@ -9964,9 +9924,9 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.093e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.588e-16 + Total alkalinity (eq/kg) = 1.033e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 9.431e-14 + Electrical balance (eq) = 9.920e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -9980,19 +9940,18 @@ Reaction 1. OH- 2.054e-06 1.165e-06 -5.687 -5.934 -0.246 -2.22 H+ 2.363e-07 1.727e-07 -6.626 -6.763 -0.136 0.00 H2O 5.551e+01 9.804e-01 1.744 -0.009 0.000 18.48 -H(0) 4.660e-15 - H2 2.330e-15 2.808e-15 -14.633 -14.552 0.081 28.58 +H(0) 5.084e-15 + H2 2.542e-15 3.063e-15 -14.595 -14.514 0.081 28.58 Na 9.953e-01 Na+ 6.535e-01 4.515e-01 -0.185 -0.345 -0.161 0.86 NaSO4- 3.419e-01 2.206e-01 -0.466 -0.656 -0.190 12.71 - NaOH 4.365e-17 5.259e-17 -16.360 -16.279 0.081 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.556 -49.475 0.081 32.99 -S(-2) 2.726e-26 - HS- 2.110e-26 1.197e-26 -25.676 -25.922 -0.246 22.15 - H2S 6.162e-27 7.424e-27 -26.210 -26.129 0.081 43.89 - S-2 1.008e-30 1.572e-31 -29.997 -30.804 -0.807 (0) - (H2S)2 0.000e+00 0.000e+00 -53.250 -53.169 0.081 26.89 + O2 0.000e+00 0.000e+00 -49.632 -49.551 0.081 32.99 +S(-2) 3.861e-26 + HS- 2.989e-26 1.695e-26 -25.525 -25.771 -0.246 22.15 + H2S 8.727e-27 1.051e-26 -26.059 -25.978 0.081 43.89 + S-2 1.427e-30 2.226e-31 -29.845 -30.653 -0.807 (0) + (H2S)2 0.000e+00 0.000e+00 -52.948 -52.867 0.081 26.89 S(6) 4.977e-01 NaSO4- 3.419e-01 2.206e-01 -0.466 -0.656 -0.190 12.71 SO4-2 1.558e-01 2.255e-02 -0.807 -1.647 -0.839 39.73 @@ -10002,12 +9961,12 @@ S(6) 4.977e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.42 -14.55 -3.13 H2 + H2(g) -11.38 -14.51 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -24.75 -32.68 -7.94 H2S + H2S(g) -24.59 -32.53 -7.94 H2S Mirabilite -2.57 -2.42 0.14 Na2SO4:10H2O - O2(g) -46.38 -49.48 -3.10 O2 - Sulfur -18.79 -14.91 3.88 S + O2(g) -46.45 -49.55 -3.10 O2 + Sulfur -18.68 -14.80 3.88 S Thenardite -1.78 -2.34 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10045,7 +10004,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.760 Charge balance - pe = 7.520 Adjusted to redox equilibrium + pe = 7.526 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 145551 Density (g/cm³) = 1.04308 Volume (L) = 1.03954 @@ -10053,9 +10012,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 9.374e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.806e-17 + Total alkalinity (eq/kg) = -7.916e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.886e-12 + Electrical balance (eq) = 1.809e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -10069,19 +10028,18 @@ Reaction 1. OH- 2.078e-06 1.155e-06 -5.682 -5.937 -0.255 -1.98 H+ 2.390e-07 1.736e-07 -6.622 -6.760 -0.139 0.00 H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 18.48 -H(0) 2.049e-32 - H2 1.025e-32 1.271e-32 -31.989 -31.896 0.094 28.58 +H(0) 1.996e-32 + H2 9.980e-33 1.238e-32 -32.001 -31.907 0.094 28.58 Na 1.187e+00 Na+ 7.655e-01 5.327e-01 -0.116 -0.274 -0.157 0.91 NaSO4- 4.218e-01 2.689e-01 -0.375 -0.570 -0.195 14.00 - NaOH 4.957e-17 6.152e-17 -16.305 -16.211 0.094 (0) -O(0) 2.614e-15 - O2 1.307e-15 1.622e-15 -14.884 -14.790 0.094 32.99 +O(0) 2.754e-15 + O2 1.377e-15 1.709e-15 -14.861 -14.767 0.094 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.021 -95.276 -0.255 22.26 - H2S 0.000e+00 0.000e+00 -95.575 -95.481 0.094 43.89 - S-2 0.000e+00 0.000e+00 -99.329 -100.160 -0.830 (0) - (H2S)2 0.000e+00 0.000e+00 -191.966 -191.872 0.094 26.89 + HS- 0.000e+00 0.000e+00 -95.066 -95.321 -0.255 22.26 + H2S 0.000e+00 0.000e+00 -95.620 -95.526 0.094 43.89 + S-2 0.000e+00 0.000e+00 -99.375 -100.205 -0.830 (0) + (H2S)2 0.000e+00 0.000e+00 -192.057 -191.963 0.094 26.89 S(6) 5.936e-01 NaSO4- 4.218e-01 2.689e-01 -0.375 -0.570 -0.195 14.00 SO4-2 1.719e-01 2.330e-02 -0.765 -1.633 -0.868 41.46 @@ -10091,12 +10049,12 @@ S(6) 5.936e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.76 -31.90 -3.13 H2 + H2(g) -28.77 -31.91 -3.13 H2 H2O(g) -0.43 -0.01 0.42 H2O - H2S(g) -94.10 -102.04 -7.94 H2S + H2S(g) -94.14 -102.08 -7.94 H2S Mirabilite -2.42 -2.28 0.14 Na2SO4:10H2O - O2(g) -11.69 -14.79 -3.10 O2 - Sulfur -70.80 -66.92 3.88 S + O2(g) -11.67 -14.77 -3.10 O2 + Sulfur -70.84 -66.95 3.88 S Thenardite -1.62 -2.18 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10134,7 +10092,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.755 Charge balance - pe = -0.814 Adjusted to redox equilibrium + pe = -0.752 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 165892 Density (g/cm³) = 1.05668 Volume (L) = 1.04315 @@ -10142,9 +10100,9 @@ Reaction 1. Activity of water = 0.972 Ionic strength (mol/kgw) = 1.101e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.516e-17 + Total alkalinity (eq/kg) = 8.483e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 4.108e-14 + Electrical balance (eq) = 2.970e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 18 Total H = 1.110124e+02 @@ -10158,19 +10116,18 @@ Reaction 1. OH- 2.089e-06 1.136e-06 -5.680 -5.945 -0.265 -1.68 H+ 2.434e-07 1.757e-07 -6.614 -6.755 -0.142 0.00 H2O 5.551e+01 9.723e-01 1.744 -0.012 0.000 18.48 -H(0) 9.404e-16 - H2 4.702e-16 6.058e-16 -15.328 -15.218 0.110 28.58 +H(0) 7.059e-16 + H2 3.529e-16 4.547e-16 -15.452 -15.342 0.110 28.58 Na 1.440e+00 Na+ 9.104e-01 6.414e-01 -0.041 -0.193 -0.152 0.96 NaSO4- 5.297e-01 3.334e-01 -0.276 -0.477 -0.201 15.46 - NaOH 5.654e-17 7.285e-17 -16.248 -16.138 0.110 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.260 -48.150 0.110 32.99 -S(-2) 6.762e-29 - HS- 5.340e-29 2.903e-29 -28.272 -28.537 -0.265 22.38 - H2S 1.422e-29 1.832e-29 -28.847 -28.737 0.110 43.89 - S-2 2.688e-33 3.749e-34 -32.571 -33.426 -0.856 (0) - (H2S)2 0.000e+00 0.000e+00 -58.495 -58.385 0.110 26.89 + O2 0.000e+00 0.000e+00 -48.011 -47.901 0.110 32.99 +S(-2) 2.146e-29 + HS- 1.695e-29 9.216e-30 -28.771 -29.035 -0.265 22.38 + H2S 4.513e-30 5.815e-30 -29.346 -29.235 0.110 43.89 + S-2 8.532e-34 1.190e-34 -33.069 -33.924 -0.856 (0) + (H2S)2 0.000e+00 0.000e+00 -59.492 -59.381 0.110 26.89 S(6) 7.200e-01 NaSO4- 5.297e-01 3.334e-01 -0.276 -0.477 -0.201 15.46 SO4-2 1.904e-01 2.399e-02 -0.720 -1.620 -0.900 43.49 @@ -10180,12 +10137,12 @@ S(6) 7.200e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -12.08 -15.22 -3.13 H2 + H2(g) -12.21 -15.34 -3.13 H2 H2O(g) -0.44 -0.01 0.42 H2O - H2S(g) -27.35 -35.29 -7.94 H2S + H2S(g) -27.85 -35.79 -7.94 H2S Mirabilite -2.27 -2.13 0.14 Na2SO4:10H2O - O2(g) -45.05 -48.15 -3.10 O2 - Sulfur -20.74 -16.85 3.88 S + O2(g) -44.80 -47.90 -3.10 O2 + Sulfur -21.11 -17.23 3.88 S Thenardite -1.45 -2.01 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10223,7 +10180,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.751 Charge balance - pe = -1.077 Adjusted to redox equilibrium + pe = -1.033 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 178136 Density (g/cm³) = 1.06550 Volume (L) = 1.04562 @@ -10231,9 +10188,9 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 1.206e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.208e-16 + Total alkalinity (eq/kg) = -1.181e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 4.720e-12 + Electrical balance (eq) = 3.805e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10247,19 +10204,18 @@ Reaction 1. OH- 2.087e-06 1.121e-06 -5.680 -5.950 -0.270 -1.49 H+ 2.467e-07 1.775e-07 -6.608 -6.751 -0.143 0.00 H2O 5.551e+01 9.693e-01 1.744 -0.014 0.000 18.48 -H(0) 3.142e-15 - H2 1.571e-15 2.074e-15 -14.804 -14.683 0.121 28.58 +H(0) 2.564e-15 + H2 1.282e-15 1.692e-15 -14.892 -14.771 0.121 28.58 Na 1.607e+00 Na+ 1.005e+00 7.144e-01 0.002 -0.146 -0.148 0.99 NaSO4- 6.022e-01 3.764e-01 -0.220 -0.424 -0.204 16.31 - NaOH 6.067e-17 8.008e-17 -16.217 -16.096 0.121 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.342 -49.222 0.121 32.99 -S(-2) 9.686e-27 - HS- 7.691e-27 4.131e-27 -26.114 -26.384 -0.270 22.46 - H2S 1.994e-27 2.633e-27 -26.700 -26.580 0.121 43.89 - S-2 3.910e-31 5.280e-32 -30.408 -31.277 -0.870 (0) - (H2S)2 0.000e+00 0.000e+00 -54.190 -54.070 0.121 26.89 + O2 0.000e+00 0.000e+00 -49.166 -49.045 0.121 32.99 +S(-2) 4.297e-27 + HS- 3.412e-27 1.833e-27 -26.467 -26.737 -0.270 22.46 + H2S 8.848e-28 1.168e-27 -27.053 -26.933 0.121 43.89 + S-2 1.735e-31 2.343e-32 -30.761 -31.630 -0.870 (0) + (H2S)2 0.000e+00 0.000e+00 -54.896 -54.776 0.121 26.89 S(6) 8.034e-01 NaSO4- 6.022e-01 3.764e-01 -0.220 -0.424 -0.204 16.31 SO4-2 2.012e-01 2.431e-02 -0.696 -1.614 -0.918 44.71 @@ -10269,12 +10225,12 @@ S(6) 8.034e-01 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.55 -14.68 -3.13 H2 + H2(g) -11.64 -14.77 -3.13 H2 H2O(g) -0.44 -0.01 0.42 H2O - H2S(g) -25.20 -33.13 -7.94 H2S + H2S(g) -25.55 -33.49 -7.94 H2S Mirabilite -2.18 -2.04 0.14 Na2SO4:10H2O - O2(g) -46.12 -49.22 -3.10 O2 - Sulfur -19.11 -15.23 3.88 S + O2(g) -45.95 -49.05 -3.10 O2 + Sulfur -19.38 -15.50 3.88 S Thenardite -1.35 -1.91 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10312,7 +10268,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.739 Charge balance - pe = -1.109 Adjusted to redox equilibrium + pe = -1.051 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 203910 Density (g/cm³) = 1.08601 Volume (L) = 1.05172 @@ -10320,9 +10276,9 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.448e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.808e-16 + Total alkalinity (eq/kg) = 3.439e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.636e-11 + Electrical balance (eq) = 1.018e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10336,19 +10292,18 @@ Reaction 1. OH- 2.064e-06 1.082e-06 -5.685 -5.966 -0.281 -1.06 H+ 2.556e-07 1.826e-07 -6.593 -6.739 -0.146 0.00 H2O 5.551e+01 9.622e-01 1.744 -0.017 0.000 18.48 -H(0) 3.656e-15 - H2 1.828e-15 2.551e-15 -14.738 -14.593 0.145 28.58 +H(0) 2.791e-15 + H2 1.395e-15 1.947e-15 -14.855 -14.711 0.145 28.58 Na 2.002e+00 Na+ 1.224e+00 8.929e-01 0.088 -0.049 -0.137 1.06 NaSO4- 7.777e-01 4.793e-01 -0.109 -0.319 -0.210 18.07 - NaOH 6.920e-17 9.658e-17 -16.160 -16.015 0.145 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.553 -49.408 0.145 32.99 -S(-2) 2.430e-26 - HS- 1.950e-26 1.022e-26 -25.710 -25.991 -0.281 22.62 - H2S 4.800e-27 6.699e-27 -26.319 -26.174 0.145 43.89 - S-2 1.001e-30 1.269e-31 -29.999 -30.896 -0.897 (0) - (H2S)2 0.000e+00 0.000e+00 -53.403 -53.258 0.145 26.89 + O2 0.000e+00 0.000e+00 -49.318 -49.174 0.145 32.99 +S(-2) 8.250e-27 + HS- 6.620e-27 3.469e-27 -26.179 -26.460 -0.281 22.62 + H2S 1.630e-27 2.275e-27 -26.788 -26.643 0.145 43.89 + S-2 3.400e-31 4.310e-32 -30.469 -31.366 -0.897 (0) + (H2S)2 0.000e+00 0.000e+00 -54.341 -54.197 0.145 26.89 S(6) 1.001e+00 NaSO4- 7.777e-01 4.793e-01 -0.109 -0.319 -0.210 18.07 SO4-2 2.233e-01 2.478e-02 -0.651 -1.606 -0.955 47.32 @@ -10358,12 +10313,12 @@ S(6) 1.001e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.46 -14.59 -3.13 H2 + H2(g) -11.58 -14.71 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -24.79 -32.73 -7.94 H2S + H2S(g) -25.26 -33.20 -7.94 H2S Mirabilite -2.01 -1.87 0.14 Na2SO4:10H2O - O2(g) -46.31 -49.41 -3.10 O2 - Sulfur -18.80 -14.92 3.88 S + O2(g) -46.08 -49.17 -3.10 O2 + Sulfur -19.15 -15.27 3.88 S Thenardite -1.14 -1.70 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10401,7 +10356,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.738 Charge balance - pe = -0.974 Adjusted to redox equilibrium + pe = -1.088 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 204621 Density (g/cm³) = 1.08662 Volume (L) = 1.05191 @@ -10409,11 +10364,11 @@ Reaction 1. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.455e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.200e-16 + Total alkalinity (eq/kg) = -3.033e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 5.971e-11 + Electrical balance (eq) = 1.238e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.953402e+01 @@ -10425,19 +10380,18 @@ Reaction 1. OH- 2.063e-06 1.080e-06 -5.686 -5.966 -0.281 -1.05 H+ 2.558e-07 1.828e-07 -6.592 -6.738 -0.146 0.00 H2O 5.551e+01 9.620e-01 1.744 -0.017 0.000 18.48 -H(0) 1.962e-15 - H2 9.811e-16 1.371e-15 -15.008 -14.863 0.145 28.58 +H(0) 3.318e-15 + H2 1.659e-15 2.319e-15 -14.780 -14.635 0.145 28.58 Na 2.014e+00 Na+ 1.231e+00 8.984e-01 0.090 -0.047 -0.137 1.06 NaSO4- 7.830e-01 4.825e-01 -0.106 -0.317 -0.210 18.12 - NaOH 6.943e-17 9.706e-17 -16.158 -16.013 0.145 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.015 -48.869 0.145 32.99 -S(-2) 2.034e-27 - HS- 1.633e-27 8.550e-28 -26.787 -27.068 -0.281 22.62 - H2S 4.014e-28 5.611e-28 -27.396 -27.251 0.145 43.89 - S-2 8.386e-32 1.061e-32 -31.076 -31.974 -0.898 (0) - (H2S)2 0.000e+00 0.000e+00 -55.558 -55.412 0.145 26.89 + O2 0.000e+00 0.000e+00 -49.471 -49.325 0.145 32.99 +S(-2) 1.663e-26 + HS- 1.334e-26 6.988e-27 -25.875 -26.156 -0.281 22.62 + H2S 3.281e-27 4.586e-27 -26.484 -26.339 0.145 43.89 + S-2 6.854e-31 8.674e-32 -30.164 -31.062 -0.898 (0) + (H2S)2 0.000e+00 0.000e+00 -53.733 -53.588 0.145 26.89 S(6) 1.007e+00 NaSO4- 7.830e-01 4.825e-01 -0.106 -0.317 -0.210 18.12 SO4-2 2.239e-01 2.478e-02 -0.650 -1.606 -0.956 47.40 @@ -10447,12 +10401,12 @@ S(6) 1.007e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.73 -14.86 -3.13 H2 + H2(g) -11.50 -14.63 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -25.87 -33.81 -7.94 H2S + H2S(g) -24.96 -32.89 -7.94 H2S Mirabilite -2.01 -1.87 0.14 Na2SO4:10H2O - O2(g) -45.77 -48.87 -3.10 O2 - Sulfur -19.61 -15.72 3.88 S + O2(g) -46.23 -49.33 -3.10 O2 + Sulfur -18.92 -15.04 3.88 S Thenardite -1.14 -1.70 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10490,7 +10444,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.726 Charge balance - pe = -1.219 Adjusted to redox equilibrium + pe = -1.182 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 223790 Density (g/cm³) = 1.10413 Volume (L) = 1.05752 @@ -10498,9 +10452,9 @@ Reaction 1. Activity of water = 0.956 Ionic strength (mol/kgw) = 1.660e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.179e-16 + Total alkalinity (eq/kg) = 3.100e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.782e-11 + Electrical balance (eq) = 2.648e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10514,19 +10468,18 @@ Reaction 1. OH- 2.028e-06 1.043e-06 -5.693 -5.982 -0.289 -0.70 H+ 2.644e-07 1.880e-07 -6.578 -6.726 -0.148 0.00 H2O 5.551e+01 9.558e-01 1.744 -0.020 0.000 18.48 -H(0) 6.107e-15 - H2 3.053e-15 4.475e-15 -14.515 -14.349 0.166 28.58 +H(0) 5.159e-15 + H2 2.579e-15 3.780e-15 -14.588 -14.422 0.166 28.58 Na 2.360e+00 Na+ 1.420e+00 1.062e+00 0.152 0.026 -0.126 1.11 NaSO4- 9.402e-01 5.737e-01 -0.027 -0.241 -0.215 19.44 - NaOH 7.561e-17 1.108e-16 -16.121 -15.955 0.166 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.068 -49.902 0.166 32.99 -S(-2) 2.474e-25 - HS- 2.000e-25 1.029e-25 -24.699 -24.987 -0.289 22.75 - H2S 4.741e-26 6.949e-26 -25.324 -25.158 0.166 43.89 - S-2 1.026e-29 1.242e-30 -28.989 -29.906 -0.917 (0) - (H2S)2 0.000e+00 0.000e+00 -51.393 -51.227 0.166 26.89 + O2 0.000e+00 0.000e+00 -49.922 -49.756 0.166 32.99 +S(-2) 1.260e-25 + HS- 1.018e-25 5.240e-26 -24.992 -25.281 -0.289 22.75 + H2S 2.414e-26 3.538e-26 -25.617 -25.451 0.166 43.89 + S-2 5.223e-30 6.323e-31 -29.282 -30.199 -0.917 (0) + (H2S)2 0.000e+00 0.000e+00 -51.979 -51.813 0.166 26.89 S(6) 1.180e+00 NaSO4- 9.402e-01 5.737e-01 -0.027 -0.241 -0.215 19.44 SO4-2 2.400e-01 2.493e-02 -0.620 -1.603 -0.983 49.43 @@ -10536,12 +10489,12 @@ S(6) 1.180e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.22 -14.35 -3.13 H2 + H2(g) -11.29 -14.42 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -23.77 -31.71 -7.94 H2S + H2S(g) -24.07 -32.01 -7.94 H2S Mirabilite -1.89 -1.75 0.14 Na2SO4:10H2O - O2(g) -46.80 -49.90 -3.10 O2 - Sulfur -18.03 -14.14 3.88 S + O2(g) -46.66 -49.76 -3.10 O2 + Sulfur -18.25 -14.36 3.88 S Thenardite -0.99 -1.55 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10579,7 +10532,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.723 Charge balance - pe = -1.072 Adjusted to redox equilibrium + pe = -1.083 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 226926 Density (g/cm³) = 1.10722 Volume (L) = 1.05855 @@ -10587,9 +10540,9 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.696e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.188e-17 + Total alkalinity (eq/kg) = 2.067e-18 Temperature (°C) = 75.00 - Electrical balance (eq) = 6.863e-11 + Electrical balance (eq) = 5.930e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10603,19 +10556,18 @@ Reaction 1. OH- 2.020e-06 1.037e-06 -5.695 -5.984 -0.290 -0.64 H+ 2.660e-07 1.890e-07 -6.575 -6.723 -0.148 0.00 H2O 5.551e+01 9.547e-01 1.744 -0.020 0.000 18.48 -H(0) 3.109e-15 - H2 1.555e-15 2.297e-15 -14.808 -14.639 0.170 28.58 +H(0) 3.268e-15 + H2 1.634e-15 2.415e-15 -14.787 -14.617 0.170 28.58 Na 2.422e+00 Na+ 1.454e+00 1.092e+00 0.162 0.038 -0.124 1.12 NaSO4- 9.686e-01 5.901e-01 -0.014 -0.229 -0.215 19.66 - NaOH 7.661e-17 1.132e-16 -16.116 -15.946 0.170 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.494 -49.324 0.170 32.99 -S(-2) 1.739e-26 - HS- 1.408e-26 7.223e-27 -25.852 -26.141 -0.290 22.77 - H2S 3.318e-27 4.903e-27 -26.479 -26.310 0.170 43.89 - S-2 7.213e-31 8.669e-32 -30.142 -31.062 -0.920 (0) - (H2S)2 0.000e+00 0.000e+00 -53.699 -53.530 0.170 26.89 + O2 0.000e+00 0.000e+00 -49.537 -49.367 0.170 32.99 +S(-2) 2.124e-26 + HS- 1.719e-26 8.821e-27 -25.765 -26.054 -0.290 22.77 + H2S 4.051e-27 5.987e-27 -26.392 -26.223 0.170 43.89 + S-2 8.808e-31 1.059e-31 -30.055 -30.975 -0.920 (0) + (H2S)2 0.000e+00 0.000e+00 -53.526 -53.356 0.170 26.89 S(6) 1.211e+00 NaSO4- 9.686e-01 5.901e-01 -0.014 -0.229 -0.215 19.66 SO4-2 2.426e-01 2.494e-02 -0.615 -1.603 -0.988 49.77 @@ -10625,12 +10577,12 @@ S(6) 1.211e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.51 -14.64 -3.13 H2 + H2(g) -11.48 -14.62 -3.13 H2 H2O(g) -0.44 -0.02 0.42 H2O - H2S(g) -24.93 -32.86 -7.94 H2S + H2S(g) -24.84 -32.78 -7.94 H2S Mirabilite -1.87 -1.73 0.14 Na2SO4:10H2O - O2(g) -46.23 -49.32 -3.10 O2 - Sulfur -18.89 -15.01 3.88 S + O2(g) -46.27 -49.37 -3.10 O2 + Sulfur -18.82 -14.94 3.88 S Thenardite -0.97 -1.53 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10668,7 +10620,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.707 Charge balance - pe = 7.544 Adjusted to redox equilibrium + pe = 7.522 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 246040 Density (g/cm³) = 1.12784 Volume (L) = 1.06567 @@ -10676,9 +10628,9 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.938e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.765e-16 + Total alkalinity (eq/kg) = 1.096e-15 Temperature (°C) = 75.00 - Electrical balance (eq) = 7.389e-10 + Electrical balance (eq) = 5.866e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -10692,19 +10644,18 @@ Reaction 1. OH- 1.965e-06 9.910e-07 -5.707 -6.004 -0.297 -0.24 H+ 2.774e-07 1.962e-07 -6.557 -6.707 -0.150 0.00 H2O 5.551e+01 9.473e-01 1.744 -0.024 0.000 18.48 -H(0) 1.860e-32 - H2 9.298e-33 1.453e-32 -32.032 -31.838 0.194 28.58 +H(0) 2.062e-32 + H2 1.031e-32 1.611e-32 -31.987 -31.793 0.194 28.58 Na 2.843e+00 Na+ 1.680e+00 1.302e+00 0.225 0.115 -0.111 1.17 NaSO4- 1.163e+00 7.018e-01 0.066 -0.154 -0.219 21.04 - NaOH 8.259e-17 1.290e-16 -16.083 -15.889 0.194 (0) -O(0) 1.495e-15 - O2 7.473e-16 1.168e-15 -15.127 -14.933 0.194 32.99 +O(0) 1.216e-15 + O2 6.079e-16 9.498e-16 -15.216 -15.022 0.194 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -94.612 -94.909 -0.297 22.91 - H2S 0.000e+00 0.000e+00 -95.255 -95.061 0.194 43.89 - S-2 0.000e+00 0.000e+00 -98.907 -99.846 -0.939 (0) - (H2S)2 0.000e+00 0.000e+00 -191.226 -191.032 0.194 26.89 + HS- 0.000e+00 0.000e+00 -94.432 -94.729 -0.297 22.91 + H2S 0.000e+00 0.000e+00 -95.075 -94.882 0.194 43.89 + S-2 0.000e+00 0.000e+00 -98.727 -99.666 -0.939 (0) + (H2S)2 0.000e+00 0.000e+00 -190.868 -190.674 0.194 26.89 S(6) 1.421e+00 NaSO4- 1.163e+00 7.018e-01 0.066 -0.154 -0.219 21.04 SO4-2 2.584e-01 2.487e-02 -0.588 -1.604 -1.017 51.97 @@ -10714,12 +10665,12 @@ S(6) 1.421e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.71 -31.84 -3.13 H2 + H2(g) -28.66 -31.79 -3.13 H2 H2O(g) -0.45 -0.02 0.42 H2O - H2S(g) -93.68 -101.62 -7.94 H2S + H2S(g) -93.50 -101.44 -7.94 H2S Mirabilite -1.75 -1.61 0.14 Na2SO4:10H2O - O2(g) -11.83 -14.93 -3.10 O2 - Sulfur -70.44 -66.56 3.88 S + O2(g) -11.92 -15.02 -3.10 O2 + Sulfur -70.31 -66.42 3.88 S Thenardite -0.81 -1.37 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10757,7 +10708,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.700 Charge balance - pe = 7.783 Adjusted to redox equilibrium + pe = 7.821 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 253093 Density (g/cm³) = 1.13641 Volume (L) = 1.06878 @@ -10765,11 +10716,11 @@ Reaction 1. Activity of water = 0.944 Ionic strength (mol/kgw) = 2.039e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.567e-16 + Total alkalinity (eq/kg) = 7.506e-13 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.137e-11 + Electrical balance (eq) = 1.235e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 9 Total H = 1.110124e+02 Total O = 6.154862e+01 @@ -10781,19 +10732,18 @@ Reaction 1. OH- 1.940e-06 9.718e-07 -5.712 -6.012 -0.300 -0.07 H+ 2.824e-07 1.994e-07 -6.549 -6.700 -0.151 0.00 H2O 5.551e+01 9.441e-01 1.744 -0.025 0.000 18.48 -H(0) 6.255e-33 - H2 3.127e-33 5.002e-33 -32.505 -32.301 0.204 28.58 +H(0) 5.244e-33 + H2 2.622e-33 4.193e-33 -32.581 -32.377 0.204 28.58 Na 3.021e+00 Na+ 1.775e+00 1.395e+00 0.249 0.145 -0.105 1.19 NaSO4- 1.246e+00 7.493e-01 0.096 -0.125 -0.221 21.57 - NaOH 8.476e-17 1.355e-16 -16.072 -15.868 0.204 (0) -O(0) 1.224e-14 - O2 6.120e-15 9.787e-15 -14.213 -14.009 0.204 32.99 +O(0) 1.741e-14 + O2 8.706e-15 1.392e-14 -14.060 -13.856 0.204 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -96.450 -96.750 -0.300 22.96 - H2S 0.000e+00 0.000e+00 -97.099 -96.895 0.204 43.89 - S-2 0.000e+00 0.000e+00 -100.748 -101.694 -0.946 (0) - (H2S)2 0.000e+00 0.000e+00 -194.904 -194.700 0.204 26.89 + HS- 0.000e+00 0.000e+00 -96.756 -97.056 -0.300 22.96 + H2S 0.000e+00 0.000e+00 -97.405 -97.201 0.204 43.89 + S-2 0.000e+00 0.000e+00 -101.054 -102.000 -0.946 (0) + (H2S)2 0.000e+00 0.000e+00 -195.517 -195.313 0.204 26.89 S(6) 1.511e+00 NaSO4- 1.246e+00 7.493e-01 0.096 -0.125 -0.221 21.57 SO4-2 2.643e-01 2.480e-02 -0.578 -1.606 -1.028 52.85 @@ -10803,12 +10753,12 @@ S(6) 1.511e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -29.17 -32.30 -3.13 H2 + H2(g) -29.24 -32.38 -3.13 H2 H2O(g) -0.45 -0.02 0.42 H2O - H2S(g) -95.51 -103.45 -7.94 H2S + H2S(g) -95.82 -103.76 -7.94 H2S Mirabilite -1.71 -1.57 0.14 Na2SO4:10H2O - O2(g) -10.91 -14.01 -3.10 O2 - Sulfur -71.81 -67.93 3.88 S + O2(g) -10.76 -13.86 -3.10 O2 + Sulfur -72.04 -68.16 3.88 S Thenardite -0.76 -1.32 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10846,7 +10796,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.690 Charge balance - pe = -1.256 Adjusted to redox equilibrium + pe = -1.260 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 262095 Density (g/cm³) = 1.14838 Volume (L) = 1.07326 @@ -10854,9 +10804,9 @@ Reaction 1. Activity of water = 0.940 Ionic strength (mol/kgw) = 2.181e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.123e-17 + Total alkalinity (eq/kg) = 1.334e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 3.866e-11 + Electrical balance (eq) = 3.675e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 @@ -10870,19 +10820,18 @@ Reaction 1. OH- 1.902e-06 9.450e-07 -5.721 -6.025 -0.304 0.16 H+ 2.897e-07 2.041e-07 -6.538 -6.690 -0.152 0.00 H2O 5.551e+01 9.397e-01 1.744 -0.027 0.000 18.48 -H(0) 7.565e-15 - H2 3.782e-15 6.249e-15 -14.422 -14.204 0.218 28.58 +H(0) 7.731e-15 + H2 3.865e-15 6.387e-15 -14.413 -14.195 0.218 28.58 Na 3.274e+00 Na+ 1.909e+00 1.530e+00 0.281 0.185 -0.096 1.22 NaSO4- 1.365e+00 8.169e-01 0.135 -0.088 -0.223 22.29 - NaOH 8.749e-17 1.446e-16 -16.058 -15.840 0.218 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -50.425 -50.207 0.218 32.99 -S(-2) 1.105e-24 - HS- 9.051e-25 4.496e-25 -24.043 -24.347 -0.304 23.04 - H2S 1.994e-25 3.295e-25 -24.700 -24.482 0.218 43.89 - S-2 4.509e-29 4.997e-30 -28.346 -29.301 -0.955 (0) - (H2S)2 0.000e+00 0.000e+00 -50.093 -49.875 0.218 26.89 + O2 0.000e+00 0.000e+00 -50.444 -50.226 0.218 32.99 +S(-2) 1.205e-24 + HS- 9.872e-25 4.903e-25 -24.006 -24.310 -0.304 23.04 + H2S 2.175e-25 3.594e-25 -24.662 -24.444 0.218 43.89 + S-2 4.918e-29 5.450e-30 -28.308 -29.264 -0.955 (0) + (H2S)2 0.000e+00 0.000e+00 -50.017 -49.799 0.218 26.89 S(6) 1.637e+00 NaSO4- 1.365e+00 8.169e-01 0.135 -0.088 -0.223 22.29 SO4-2 2.719e-01 2.465e-02 -0.566 -1.608 -1.043 54.04 @@ -10892,12 +10841,12 @@ S(6) 1.637e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.07 -14.20 -3.13 H2 + H2(g) -11.06 -14.19 -3.13 H2 H2O(g) -0.45 -0.03 0.42 H2O - H2S(g) -23.10 -31.04 -7.94 H2S + H2S(g) -23.06 -31.00 -7.94 H2S Mirabilite -1.65 -1.51 0.14 Na2SO4:10H2O - O2(g) -47.11 -50.21 -3.10 O2 - Sulfur -17.50 -13.61 3.88 S + O2(g) -47.13 -50.23 -3.10 O2 + Sulfur -17.47 -13.58 3.88 S Thenardite -0.68 -1.24 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -10935,7 +10884,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.673 Charge balance - pe = -0.832 Adjusted to redox equilibrium + pe = -0.823 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 274518 Density (g/cm³) = 1.16752 Volume (L) = 1.08076 @@ -10943,11 +10892,11 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 2.408e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.082e-17 + Total alkalinity (eq/kg) = -3.434e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 1.094e-11 + Electrical balance (eq) = 1.354e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 18 Total H = 1.110124e+02 Total O = 6.287898e+01 @@ -10959,19 +10908,18 @@ Reaction 1. OH- 1.839e-06 9.022e-07 -5.735 -6.045 -0.309 0.52 H+ 3.020e-07 2.122e-07 -6.520 -6.673 -0.153 0.00 H2O 5.551e+01 9.325e-01 1.744 -0.030 0.000 18.48 -H(0) 1.102e-15 - H2 5.510e-16 9.594e-16 -15.259 -15.018 0.241 28.58 +H(0) 1.056e-15 + H2 5.279e-16 9.191e-16 -15.277 -15.037 0.241 28.58 Na 3.686e+00 Na+ 2.126e+00 1.760e+00 0.328 0.246 -0.082 1.26 NaSO4- 1.561e+00 9.277e-01 0.193 -0.033 -0.226 23.38 - NaOH 9.121e-17 1.588e-16 -16.040 -15.799 0.241 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.827 -48.586 0.241 32.99 -S(-2) 6.542e-28 - HS- 5.386e-28 2.642e-28 -27.269 -27.578 -0.309 23.15 - H2S 1.156e-28 2.012e-28 -27.937 -27.696 0.241 43.89 - S-2 2.629e-32 2.825e-33 -31.580 -32.549 -0.969 (0) - (H2S)2 0.000e+00 0.000e+00 -56.544 -56.303 0.241 26.89 + O2 0.000e+00 0.000e+00 -48.789 -48.549 0.241 32.99 +S(-2) 5.510e-28 + HS- 4.536e-28 2.225e-28 -27.343 -27.653 -0.309 23.15 + H2S 9.735e-29 1.695e-28 -28.012 -27.771 0.241 43.89 + S-2 2.215e-32 2.379e-33 -31.655 -32.624 -0.969 (0) + (H2S)2 0.000e+00 0.000e+00 -56.693 -56.452 0.241 26.89 S(6) 1.843e+00 NaSO4- 1.561e+00 9.277e-01 0.193 -0.033 -0.226 23.38 SO4-2 2.826e-01 2.432e-02 -0.549 -1.614 -1.065 55.87 @@ -10981,12 +10929,12 @@ S(6) 1.843e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -11.89 -15.02 -3.13 H2 + H2(g) -11.90 -15.04 -3.13 H2 H2O(g) -0.45 -0.03 0.42 H2O - H2S(g) -26.31 -34.25 -7.94 H2S + H2S(g) -26.39 -34.33 -7.94 H2S Mirabilite -1.57 -1.43 0.14 Na2SO4:10H2O - O2(g) -45.49 -48.59 -3.10 O2 - Sulfur -19.90 -16.01 3.88 S + O2(g) -45.45 -48.55 -3.10 O2 + Sulfur -19.95 -16.07 3.88 S Thenardite -0.56 -1.12 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11024,7 +10972,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.655 Charge balance - pe = 7.708 Adjusted to redox equilibrium + pe = 7.688 Adjusted to redox equilibrium Specific Conductance (µS/cm, 75°C) = 285138 Density (g/cm³) = 1.18779 Volume (L) = 1.08918 @@ -11032,9 +10980,9 @@ Reaction 1. Activity of water = 0.925 Ionic strength (mol/kgw) = 2.652e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.442e-15 + Total alkalinity (eq/kg) = 8.401e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 2.205e-09 + Electrical balance (eq) = 1.719e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -11048,19 +10996,18 @@ Reaction 1. OH- 1.769e-06 8.575e-07 -5.752 -6.067 -0.315 0.90 H+ 3.160e-07 2.213e-07 -6.500 -6.655 -0.155 0.00 H2O 5.551e+01 9.247e-01 1.744 -0.034 0.000 18.48 -H(0) 9.433e-33 - H2 4.716e-33 8.687e-33 -32.326 -32.061 0.265 28.58 +H(0) 1.036e-32 + H2 5.180e-33 9.541e-33 -32.286 -32.020 0.265 28.58 Na 4.136e+00 Na+ 2.360e+00 2.027e+00 0.373 0.307 -0.066 1.30 NaSO4- 1.776e+00 1.049e+00 0.249 0.021 -0.229 24.46 - NaOH 9.435e-17 1.738e-16 -16.025 -15.760 0.265 (0) -O(0) 3.380e-15 - O2 1.690e-15 3.113e-15 -14.772 -14.507 0.265 32.99 +O(0) 2.801e-15 + O2 1.401e-15 2.580e-15 -14.854 -14.588 0.265 32.99 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -95.411 -95.726 -0.315 23.27 - H2S 0.000e+00 0.000e+00 -96.091 -95.825 0.265 43.89 - S-2 0.000e+00 0.000e+00 -99.733 -100.715 -0.982 (0) - (H2S)2 0.000e+00 0.000e+00 -192.827 -192.561 0.265 26.89 + HS- 0.000e+00 0.000e+00 -95.248 -95.563 -0.315 23.27 + H2S 0.000e+00 0.000e+00 -95.928 -95.662 0.265 43.89 + S-2 0.000e+00 0.000e+00 -99.570 -100.552 -0.982 (0) + (H2S)2 0.000e+00 0.000e+00 -192.500 -192.235 0.265 26.89 S(6) 2.068e+00 NaSO4- 1.776e+00 1.049e+00 0.249 0.021 -0.229 24.46 SO4-2 2.923e-01 2.388e-02 -0.534 -1.622 -1.088 57.73 @@ -11070,12 +11017,12 @@ S(6) 2.068e+00 Phase SI** log IAP log K(348 K, 1 atm) - H2(g) -28.93 -32.06 -3.13 H2 + H2(g) -28.89 -32.02 -3.13 H2 H2O(g) -0.46 -0.03 0.42 H2O - H2S(g) -94.44 -102.38 -7.94 H2S + H2S(g) -94.28 -102.22 -7.94 H2S Mirabilite -1.49 -1.35 0.14 Na2SO4:10H2O - O2(g) -11.41 -14.51 -3.10 O2 - Sulfur -70.98 -67.10 3.88 S + O2(g) -11.49 -14.59 -3.10 O2 + Sulfur -70.86 -66.98 3.88 S Thenardite -0.45 -1.01 -0.56 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -11257,7 +11204,6 @@ N(5) 1.509e-02 NO3- 1.509e-02 1.313e-02 -1.821 -1.882 -0.060 31.85 Na 1.509e-02 Na+ 1.509e-02 1.324e-02 -1.821 -1.878 -0.057 -0.05 - NaOH 6.595e-19 6.618e-19 -18.181 -18.179 0.002 (0) O(0) 7.282e-07 O2 3.641e-07 3.653e-07 -6.439 -6.437 0.002 32.59 @@ -11339,7 +11285,6 @@ N(5) 3.017e-02 NO3- 3.017e-02 2.500e-02 -1.520 -1.602 -0.082 31.92 Na 3.017e-02 Na+ 3.017e-02 2.539e-02 -1.520 -1.595 -0.075 0.02 - NaOH 1.387e-18 1.396e-18 -17.858 -17.855 0.003 (0) O(0) 9.924e-07 O2 4.962e-07 4.997e-07 -6.304 -6.301 0.003 32.59 @@ -11397,7 +11342,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.325e-07 Temperature (°C) = 65.00 - Electrical balance (eq) = -4.622e-14 + Electrical balance (eq) = -4.424e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -11421,7 +11366,6 @@ N(5) 6.039e-02 NO3- 6.039e-02 4.701e-02 -1.219 -1.328 -0.109 32.01 Na 6.039e-02 Na+ 6.039e-02 4.835e-02 -1.219 -1.316 -0.097 0.11 - NaOH 2.912e-18 2.953e-18 -17.536 -17.530 0.006 (0) O(0) 1.331e-06 O2 6.657e-07 6.750e-07 -6.177 -6.171 0.006 32.59 @@ -11479,7 +11423,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.021e-07 Temperature (°C) = 65.00 - Electrical balance (eq) = -4.818e-13 + Electrical balance (eq) = -4.817e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -11503,7 +11447,6 @@ N(5) 1.208e-01 NO3- 1.208e-01 8.708e-02 -0.918 -1.060 -0.142 32.12 Na 1.208e-01 Na+ 1.208e-01 9.161e-02 -0.918 -1.038 -0.120 0.22 - NaOH 6.058e-18 6.229e-18 -17.218 -17.206 0.012 (0) O(0) 1.755e-06 O2 8.776e-07 9.023e-07 -6.057 -6.045 0.012 32.59 @@ -11585,7 +11528,6 @@ N(5) 2.514e-01 NO3- 2.514e-01 1.646e-01 -0.600 -0.784 -0.184 32.29 Na 2.514e-01 Na+ 2.514e-01 1.807e-01 -0.600 -0.743 -0.144 0.37 - NaOH 1.292e-17 1.369e-17 -16.889 -16.864 0.025 (0) O(0) 2.300e-06 O2 1.150e-06 1.219e-06 -5.939 -5.914 0.025 32.59 @@ -11643,7 +11585,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.153e-06 Temperature (°C) = 65.00 - Electrical balance (eq) = -5.306e-13 + Electrical balance (eq) = -5.228e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -11667,7 +11609,6 @@ N(5) 5.010e-01 NO3- 5.010e-01 2.963e-01 -0.300 -0.528 -0.228 32.47 Na 5.010e-01 Na+ 5.010e-01 3.487e-01 -0.300 -0.458 -0.157 0.55 - NaOH 2.571e-17 2.885e-17 -16.590 -16.540 0.050 (0) O(0) 2.883e-06 O2 1.442e-06 1.618e-06 -5.841 -5.791 0.050 32.59 diff --git a/mytest/Vm_salt_65_101.sel b/mytest/Vm_salt_65_101.sel index 92005f559..8ef2c4c5d 100644 --- a/mytest/Vm_salt_65_101.sel +++ b/mytest/Vm_salt_65_101.sel @@ -1,6 +1,6 @@ Mu SC 0.000000100644 0.0547821292 - 0.000000354775 0.2906196964 + 0.000000354775 0.2906196947 1.154593258199 519688.9172335894 1.428485498028 607303.3916541495 1.560813842698 646453.4203630189 @@ -13,132 +13,132 @@ 2.400052677127 855508.7105227754 2.709976795998 917887.4764132319 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0.090000447935 20796.2636340921 - 0.099980451411 22957.7650950011 - 0.160000467818 35640.5547104570 - 0.250000484566 53900.6542679181 - 0.400000503301 82924.8796774607 - 0.414940504809 85737.6836344103 - 0.700000527165 137240.1481162656 - 0.791540532681 153012.4612899966 - 1.000000543500 187721.7711620602 - 1.210810552682 221251.2086109759 - 2.053600579142 341565.3964848988 - 2.494080588665 396706.9493140528 - 3.425060603174 498109.8774465686 - 3.889560608115 541790.1195611400 - 4.400920612272 585093.7102488893 - 0.000000354775 0.2906196964 - 0.098338900826 12341.2233474290 - 0.196858399110 23089.5303882003 - 0.391917696699 42480.5198643001 - 0.803006557816 78638.8477989344 - 1.250755457654 113109.6903079542 - 1.574274675301 135521.4339170505 - 2.296042844005 179257.4753103088 - 2.508412265054 190656.0160772217 - 2.995520849013 214507.5792929427 - 3.782928236545 246775.8399641275 - 6.535084347683 306246.9021441999 - 7.892423513917 310025.0653128373 - 9.330817755529 300746.5663881312 - 10.864724329677 280953.3307601368 - 12.285944306515 257797.3910314907 - 13.823369509693 231093.4736853521 - 0.000000453436 0.3969680162 - 0.149100590141 21215.1086759946 - 0.149250590183 21234.4345640396 - 0.153240591284 21747.6866526471 - 0.300450620010 39814.3790632797 - 0.304200620544 40256.6075209381 - 0.608130649919 74043.6922052859 - 0.816600661882 95378.1012473954 - 1.483470684327 156262.3302815465 - 1.573800686358 163774.9629482758 - 2.953560703728 261073.1117456961 - 3.072000704437 268072.4542337365 - 9.591000696538 421919.7238079765 - 15.030000683156 351384.5607098999 - 19.273200674988 272570.8030759282 - 0.000000508194 0.4582106632 - 0.027900597132 4829.4568773828 - 0.088500646707 14262.3549700254 - 0.150300674567 23259.2691887928 - 0.218100695896 32671.3723866419 - 0.300000715194 43547.3789782249 - 0.448200740749 62109.6873350301 - 0.500001747947 68299.2579504812 - 0.600000760170 79851.1237944145 - 0.901200788469 111800.6681825113 - 0.999999795929 121436.3875869459 - 1.219200810354 141472.9189160282 - 1.763400837503 184178.7662750357 - 2.363100858036 221656.8429114042 - 2.499999861681 229037.7751482717 - 2.976300871810 251841.3585461305 - 4.500000880909 301985.6598679031 - 4.757400879061 307908.0009300718 - 0.000000453436 0.3969732291 - 0.113724911184 20124.2885166176 - 0.122504288774 21642.2359989557 - 0.199759087599 34848.8789220325 - 0.207911106220 36226.6830010694 - 0.219344161469 38153.8944077119 - 0.294409453979 50655.5834771050 - 0.368054248446 62656.0507799591 - 0.382318063416 64949.0198512694 - 0.391323876774 66391.4090753427 - 0.432628410104 72953.3284866354 - 0.551485564253 91332.4602842455 - 0.662795051424 107843.0182568505 - 0.663870988302 107999.2217754814 - 0.774404514723 123694.5691265177 - 0.804415742793 127834.7621037327 - 0.809263083676 128498.5818846574 - 0.937413581612 145551.6844832078 - 1.100758443471 165892.8498536982 - 1.205714367684 178136.2214191951 - 1.447619116943 203910.6605352061 - 1.454769752893 204621.1764567008 - 1.660130898818 223790.1837546999 - 1.696356128733 226926.5434556628 - 1.938314490603 246040.9667300913 - 2.039234470445 253093.3573352679 - 2.180641708603 262095.1167972461 - 2.408444030495 274518.5369354264 - 2.652475085114 285138.5286216626 - 0.000000354775 0.2906266080 - 0.015090281713 3192.5782589362 - 0.030170263922 6171.9170031785 - 0.060390246138 11807.5326155113 - 0.120790229405 22236.1980510385 - 0.251400214428 42492.7683856247 - 0.501000205016 75983.8137050839 + 0.000000354775 0.2906196947 + 0.100000451422 19513.2634463778 + 0.216680479090 39748.3959721948 + 0.256170485518 46269.5761971884 + 0.349370497801 61162.6079209969 + 0.518980514180 86795.4264066388 + 0.527510514873 88040.8340162271 + 0.625830522241 102123.0962793813 + 0.779010531969 123131.5724004874 + 0.875250537290 135795.0326555312 + 1.000000543511 151635.6439794888 + 1.103670548210 164330.2405290414 + 1.225410553279 178718.5941389596 + 1.556330564855 215170.4898863538 + 1.609170566540 220649.2173157646 + 2.000000577822 258450.9003759035 + 2.232540583342 278794.3841070997 + 2.500000588913 300351.1934115614 + 2.547010589815 303945.3249262843 + 3.035630598000 338067.3997362888 + 3.989210609037 389549.8429079261 + 4.266790611311 401278.1215051785 + 4.565810613384 412470.5457318811 + 5.557430617962 440238.5483605151 + 5.715770618417 443504.8788902134 + 5.913880618896 447192.3318101284 + 0.000000354775 0.2906266063 + 0.040000423762 9644.0205979806 + 0.090000447935 20796.2634794141 + 0.099980451411 22957.7649167881 + 0.160000467818 35640.5543741417 + 0.250000484566 53900.6536529949 + 0.400000503301 82924.8785205043 + 0.414940504809 85737.6824193676 + 0.700000527165 137240.1456959747 + 0.791540532681 153012.4584544559 + 1.000000543500 187721.7673509017 + 1.210810552682 221251.2037886376 + 2.053600579142 341565.3876404556 + 2.494080588665 396706.9384901532 + 3.425060603174 498109.8628711273 + 3.889560608115 541790.1033498412 + 4.400920612272 585093.6924148453 + 0.000000354775 0.2906196947 + 0.098338900826 12341.2232698825 + 0.196858399110 23089.5302466465 + 0.391917696699 42480.5196147629 + 0.803006557816 78638.8473876298 + 1.250755457654 113109.6897973657 + 1.574274675301 135521.4333701809 + 2.296042844005 179257.4747508661 + 2.508412265054 190656.0155259956 + 2.995520849013 214507.5787728612 + 3.782928236545 246775.8395146978 + 6.535084347683 306246.9019436477 + 7.892423513917 310025.0651923141 + 9.330817755529 300746.5663215662 + 10.864724329677 280953.3307262626 + 12.285944306515 257797.3910137923 + 13.823369509693 231093.4736766761 + 0.000000453436 0.3969680115 + 0.149100590141 21215.1080567374 + 0.149250590183 21234.4339440460 + 0.153240591284 21747.6860130141 + 0.300450620010 39814.3776482789 + 0.304200620544 40256.6060852154 + 0.608130649919 74043.6890173734 + 0.816600661882 95378.0968341528 + 1.483470684327 156262.3221606132 + 1.573800686358 163774.9543638560 + 2.953560703728 261073.0974366670 + 3.072000704437 268072.4395491340 + 9.591000696538 421919.7061254556 + 15.030000683156 351384.5487324478 + 19.273200674988 272570.7945204542 + 0.000000508194 0.4582106561 + 0.027900597132 4829.4566735059 + 0.088500646707 14262.3541634227 + 0.150300674567 23259.2676564515 + 0.218100695896 32671.3699820581 + 0.300000715194 43547.3754545484 + 0.448200740749 62109.6816957077 + 0.500001747947 68299.2515614478 + 0.600000760170 79851.1159616434 + 0.901200788469 111800.6561654199 + 0.999999795929 121436.3742829687 + 1.219200810354 141472.9029465138 + 1.763400837503 184178.7449122000 + 2.363100858036 221656.8175347614 + 2.499999861681 229037.7491037962 + 2.976300871810 251841.3307798337 + 4.500000880909 301985.6309380182 + 4.757400879061 307907.9722101706 + 0.000000453436 0.3969732245 + 0.113724911184 20124.2879110884 + 0.122504288751 21642.2353108467 + 0.199759087599 34848.8775194979 + 0.207911106221 36226.6815123545 + 0.219344161469 38153.8927958616 + 0.294409454197 50655.5810243894 + 0.368054248483 62656.0473413940 + 0.382318063416 64949.0162160463 + 0.391323876774 66391.4053175537 + 0.432628410104 72953.3241574854 + 0.551485564253 91332.4542540235 + 0.662795051423 107843.0106131856 + 0.663870988303 107999.2141127822 + 0.774404514723 123694.5599008147 + 0.804415742793 127834.7524643317 + 0.809263083676 128498.5721790127 + 0.937413581612 145551.6730944522 + 1.100758443471 165892.8365508262 + 1.205714367686 178136.2070459571 + 1.447619116951 203910.6442118218 + 1.454769752969 204621.1600855576 + 1.660130898819 223790.1663179193 + 1.696356128742 226926.5258828834 + 1.938314490728 246040.9486216545 + 2.039234475808 253093.3391649635 + 2.180641708604 262095.0987371656 + 2.408444030500 274518.5193503642 + 2.652475086161 285138.5118961631 + 0.000000354775 0.2906266063 + 0.015090281713 3192.5782481085 + 0.030170263922 6171.9169752897 + 0.060390246138 11807.5325416611 + 0.120790229405 22236.1978524082 + 0.251400214428 42492.7678195470 + 0.501000205016 75983.8122293879 diff --git a/mytest/Vm_salt_fig.out b/mytest/Vm_salt_fig.out index 17b7dac4e..6d718f22e 100644 --- a/mytest/Vm_salt_fig.out +++ b/mytest/Vm_salt_fig.out @@ -8946,7 +8946,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.996 Charge balance - pe = -0.158 Adjusted to redox equilibrium + pe = -0.167 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 494 Density (g/cm³) = 0.99721 Volume (L) = 1.00303 @@ -8954,9 +8954,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 4.107e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.966e-17 + Total alkalinity (eq/kg) = 3.103e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.776e-15 + Electrical balance (eq) = -1.770e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -8973,22 +8973,21 @@ Reaction 1. Cl 4.107e-03 Cl- 4.107e-03 3.830e-03 -2.386 -2.417 -0.030 18.11 HCl 1.326e-10 1.331e-10 -9.878 -9.876 0.002 (0) -H(0) 2.977e-17 - H2 1.488e-17 1.490e-17 -16.827 -16.827 0.000 28.61 +H(0) 3.104e-17 + H2 1.552e-17 1.553e-17 -16.809 -16.809 0.000 28.61 Na 4.107e-03 Na+ 4.107e-03 3.835e-03 -2.386 -2.416 -0.030 -1.43 - NaOH 3.844e-20 3.847e-20 -19.415 -19.415 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.727 -58.726 0.000 30.40 + O2 0.000e+00 0.000e+00 -58.763 -58.763 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.40 -4.83 1.57 NaCl - O2(g) -55.83 -58.73 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9024,7 +9023,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = -0.161 Adjusted to redox equilibrium + pe = -0.162 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1168 Density (g/cm³) = 0.99746 Volume (L) = 1.00313 @@ -9032,9 +9031,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 9.920e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.029e-17 + Total alkalinity (eq/kg) = 3.046e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.511e-13 + Electrical balance (eq) = -1.509e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9051,22 +9050,21 @@ Reaction 1. Cl 9.920e-03 Cl- 9.920e-03 8.939e-03 -2.003 -2.049 -0.045 18.14 HCl 3.086e-10 3.116e-10 -9.511 -9.506 0.004 (0) -H(0) 3.035e-17 - H2 1.517e-17 1.521e-17 -16.819 -16.818 0.001 28.61 +H(0) 3.050e-17 + H2 1.525e-17 1.528e-17 -16.817 -16.816 0.001 28.61 Na 9.920e-03 Na+ 9.920e-03 8.964e-03 -2.003 -2.047 -0.044 -1.38 - NaOH 8.943e-20 8.964e-20 -19.048 -19.048 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.745 -58.744 0.001 30.40 + O2 0.000e+00 0.000e+00 -58.750 -58.749 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.71 -16.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -5.67 -4.10 1.57 NaCl - O2(g) -55.85 -58.74 -2.89 O2 + O2(g) -55.86 -58.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9102,7 +9100,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = -0.163 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1190 Density (g/cm³) = 0.99746 Volume (L) = 1.00314 @@ -9110,9 +9108,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.051e-17 + Total alkalinity (eq/kg) = 3.022e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.667e-13 + Electrical balance (eq) = -1.665e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9129,22 +9127,21 @@ Reaction 1. Cl 1.011e-02 Cl- 1.011e-02 9.102e-03 -1.995 -2.041 -0.046 18.14 HCl 3.142e-10 3.173e-10 -9.503 -9.499 0.004 (0) -H(0) 3.064e-17 - H2 1.532e-17 1.536e-17 -16.815 -16.814 0.001 28.61 +H(0) 3.037e-17 + H2 1.519e-17 1.522e-17 -16.819 -16.818 0.001 28.61 Na 1.011e-02 Na+ 1.011e-02 9.128e-03 -1.995 -2.040 -0.044 -1.38 - NaOH 9.106e-20 9.127e-20 -19.041 -19.040 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.754 -58.753 0.001 30.40 + O2 0.000e+00 0.000e+00 -58.746 -58.745 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.81 -3.10 H2 + H2(g) -13.72 -16.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -5.65 -4.08 1.57 NaCl - O2(g) -55.86 -58.75 -2.89 O2 + O2(g) -55.85 -58.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9180,7 +9177,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance - pe = -0.157 Adjusted to redox equilibrium + pe = -0.155 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1210 Density (g/cm³) = 0.99747 Volume (L) = 1.00314 @@ -9188,9 +9185,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.029e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.954e-17 + Total alkalinity (eq/kg) = 2.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.804e-13 + Electrical balance (eq) = -1.800e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9207,13 +9204,12 @@ Reaction 1. Cl 1.029e-02 Cl- 1.029e-02 9.256e-03 -1.988 -2.034 -0.046 18.14 HCl 3.195e-10 3.227e-10 -9.496 -9.491 0.004 (0) -H(0) 2.975e-17 - H2 1.487e-17 1.491e-17 -16.828 -16.827 0.001 28.61 +H(0) 2.955e-17 + H2 1.477e-17 1.481e-17 -16.831 -16.829 0.001 28.61 Na 1.029e-02 Na+ 1.029e-02 9.284e-03 -1.988 -2.032 -0.045 -1.38 - NaOH 9.260e-20 9.282e-20 -19.033 -19.032 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.728 -58.727 0.001 30.40 + O2 0.000e+00 0.000e+00 -58.722 -58.721 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -9222,7 +9218,7 @@ O(0) 0.000e+00 H2(g) -13.73 -16.83 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -5.64 -4.07 1.57 NaCl - O2(g) -55.83 -58.73 -2.89 O2 + O2(g) -55.83 -58.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9258,7 +9254,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.990 Charge balance - pe = -0.186 Adjusted to redox equilibrium + pe = -0.195 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 4595 Density (g/cm³) = 0.99875 Volume (L) = 1.00367 @@ -9266,9 +9262,9 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 4.120e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.438e-17 + Total alkalinity (eq/kg) = 2.538e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.315e-10 + Electrical balance (eq) = -1.322e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -9285,22 +9281,21 @@ Reaction 1. Cl 4.120e-02 Cl- 4.120e-02 3.406e-02 -1.385 -1.468 -0.083 18.23 HCl 1.153e-09 1.200e-09 -8.938 -8.921 0.018 (0) -H(0) 3.455e-17 - H2 1.728e-17 1.744e-17 -16.763 -16.758 0.004 28.61 +H(0) 3.602e-17 + H2 1.801e-17 1.818e-17 -16.744 -16.740 0.004 28.61 Na 4.120e-02 Na+ 4.120e-02 3.443e-02 -1.385 -1.463 -0.078 -1.24 - NaOH 3.370e-19 3.402e-19 -18.472 -18.468 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.869 -58.864 0.004 30.40 + O2 0.000e+00 0.000e+00 -58.905 -58.901 0.004 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.64 -16.74 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.50 -2.93 1.57 NaCl - O2(g) -55.97 -58.86 -2.89 O2 + O2(g) -56.01 -58.90 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9336,7 +9331,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.157 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5525 Density (g/cm³) = 0.99911 Volume (L) = 1.00382 @@ -9344,9 +9339,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.002e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.018e-17 + Total alkalinity (eq/kg) = 3.222e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.171e-17 + Electrical balance (eq) = -2.211e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9363,22 +9358,21 @@ Reaction 1. Cl 5.002e-02 Cl- 5.002e-02 4.073e-02 -1.301 -1.390 -0.089 18.25 HCl 1.370e-09 1.439e-09 -8.863 -8.842 0.021 (0) -H(0) 3.030e-17 - H2 1.515e-17 1.533e-17 -16.820 -16.815 0.005 28.61 +H(0) 3.222e-17 + H2 1.611e-17 1.630e-17 -16.793 -16.788 0.005 28.61 Na 5.002e-02 Na+ 5.002e-02 4.126e-02 -1.301 -1.385 -0.084 -1.21 - NaOH 4.019e-19 4.066e-19 -18.396 -18.391 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.757 -58.752 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.811 -58.806 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.81 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.34 -2.77 1.57 NaCl - O2(g) -55.86 -58.75 -2.89 O2 + O2(g) -55.91 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9414,7 +9408,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.140 Adjusted to redox equilibrium + pe = -0.158 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5526 Density (g/cm³) = 0.99911 Volume (L) = 1.00382 @@ -9422,9 +9416,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.003e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.790e-17 + Total alkalinity (eq/kg) = 2.989e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.751e-17 + Electrical balance (eq) = -3.870e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9441,22 +9435,21 @@ Reaction 1. Cl 5.003e-02 Cl- 5.003e-02 4.074e-02 -1.301 -1.390 -0.089 18.25 HCl 1.370e-09 1.439e-09 -8.863 -8.842 0.021 (0) -H(0) 2.799e-17 - H2 1.399e-17 1.416e-17 -16.854 -16.849 0.005 28.61 +H(0) 3.044e-17 + H2 1.522e-17 1.540e-17 -16.818 -16.813 0.005 28.61 Na 5.003e-02 Na+ 5.003e-02 4.126e-02 -1.301 -1.384 -0.084 -1.21 - NaOH 4.020e-19 4.067e-19 -18.396 -18.391 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.688 -58.683 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.756 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.34 -2.77 1.57 NaCl - O2(g) -55.79 -58.68 -2.89 O2 + O2(g) -55.86 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9492,7 +9485,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.140 Adjusted to redox equilibrium + pe = -0.143 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5757 Density (g/cm³) = 0.99920 Volume (L) = 1.00386 @@ -9500,9 +9493,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.224e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.756e-17 + Total alkalinity (eq/kg) = 2.783e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.155e-17 + Electrical balance (eq) = -4.966e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9519,22 +9512,21 @@ Reaction 1. Cl 5.224e-02 Cl- 5.224e-02 4.239e-02 -1.282 -1.373 -0.091 18.26 HCl 1.423e-09 1.498e-09 -8.847 -8.824 0.022 (0) -H(0) 2.802e-17 - H2 1.401e-17 1.418e-17 -16.854 -16.848 0.005 28.61 +H(0) 2.847e-17 + H2 1.423e-17 1.441e-17 -16.847 -16.841 0.005 28.61 Na 5.224e-02 Na+ 5.224e-02 4.296e-02 -1.282 -1.367 -0.085 -1.20 - NaOH 4.181e-19 4.231e-19 -18.379 -18.374 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.690 -58.685 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.704 -58.699 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.31 -2.74 1.57 NaCl - O2(g) -55.79 -58.68 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9570,7 +9562,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.989 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.146 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5784 Density (g/cm³) = 0.99921 Volume (L) = 1.00386 @@ -9578,9 +9570,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.250e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.146e-17 + Total alkalinity (eq/kg) = 2.849e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.141e-17 + Electrical balance (eq) = -4.013e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9597,22 +9589,21 @@ Reaction 1. Cl 5.250e-02 Cl- 5.250e-02 4.259e-02 -1.280 -1.371 -0.091 18.26 HCl 1.429e-09 1.505e-09 -8.845 -8.822 0.022 (0) -H(0) 3.153e-17 - H2 1.576e-17 1.596e-17 -16.802 -16.797 0.005 28.61 +H(0) 2.878e-17 + H2 1.439e-17 1.457e-17 -16.842 -16.837 0.005 28.61 Na 5.250e-02 Na+ 5.250e-02 4.316e-02 -1.280 -1.365 -0.085 -1.20 - NaOH 4.199e-19 4.251e-19 -18.377 -18.372 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.793 -58.787 0.005 30.40 + O2 0.000e+00 0.000e+00 -58.713 -58.708 0.005 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.31 -2.74 1.57 NaCl - O2(g) -55.89 -58.79 -2.89 O2 + O2(g) -55.82 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9648,7 +9639,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.144 Adjusted to redox equilibrium + pe = -0.127 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6315 Density (g/cm³) = 0.99942 Volume (L) = 1.00395 @@ -9656,9 +9647,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.760e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.812e-17 + Total alkalinity (eq/kg) = 2.641e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.998e-17 + Electrical balance (eq) = -2.935e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9675,22 +9666,21 @@ Reaction 1. Cl 5.760e-02 Cl- 5.760e-02 4.637e-02 -1.240 -1.334 -0.094 18.27 HCl 1.551e-09 1.641e-09 -8.810 -8.785 0.025 (0) -H(0) 2.856e-17 - H2 1.428e-17 1.447e-17 -16.845 -16.840 0.006 28.61 +H(0) 2.645e-17 + H2 1.323e-17 1.340e-17 -16.879 -16.873 0.006 28.61 Na 5.760e-02 Na+ 5.760e-02 4.705e-02 -1.240 -1.327 -0.088 -1.19 - NaOH 4.566e-19 4.627e-19 -18.340 -18.335 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.708 -58.703 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.642 -58.636 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.74 -16.84 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.23 -2.66 1.57 NaCl - O2(g) -55.81 -58.70 -2.89 O2 + O2(g) -55.74 -58.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9726,7 +9716,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.173 Adjusted to redox equilibrium + pe = -0.178 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6377 Density (g/cm³) = 0.99944 Volume (L) = 1.00396 @@ -9734,9 +9724,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.820e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.272e-17 + Total alkalinity (eq/kg) = 3.347e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.971e-17 + Electrical balance (eq) = -6.031e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9753,22 +9743,21 @@ Reaction 1. Cl 5.820e-02 Cl- 5.820e-02 4.681e-02 -1.235 -1.330 -0.095 18.27 HCl 1.565e-09 1.656e-09 -8.806 -8.781 0.025 (0) -H(0) 3.276e-17 - H2 1.638e-17 1.660e-17 -16.786 -16.780 0.006 28.61 +H(0) 3.353e-17 + H2 1.676e-17 1.699e-17 -16.776 -16.770 0.006 28.61 Na 5.820e-02 Na+ 5.820e-02 4.750e-02 -1.235 -1.323 -0.088 -1.19 - NaOH 4.609e-19 4.671e-19 -18.336 -18.331 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.828 -58.822 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.848 -58.842 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.68 -16.78 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.22 -2.65 1.57 NaCl - O2(g) -55.93 -58.82 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9804,7 +9793,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.155 Adjusted to redox equilibrium + pe = -0.162 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6746 Density (g/cm³) = 0.99959 Volume (L) = 1.00402 @@ -9812,9 +9801,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.177e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.017e-17 + Total alkalinity (eq/kg) = 3.103e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.132e-17 + Electrical balance (eq) = -5.199e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9831,22 +9820,21 @@ Reaction 1. Cl 6.177e-02 Cl- 6.177e-02 4.944e-02 -1.209 -1.306 -0.097 18.28 HCl 1.648e-09 1.751e-09 -8.783 -8.757 0.026 (0) -H(0) 3.019e-17 - H2 1.509e-17 1.531e-17 -16.821 -16.815 0.006 28.61 +H(0) 3.106e-17 + H2 1.553e-17 1.575e-17 -16.809 -16.803 0.006 28.61 Na 6.177e-02 Na+ 6.177e-02 5.021e-02 -1.209 -1.299 -0.090 -1.18 - NaOH 4.863e-19 4.933e-19 -18.313 -18.307 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.758 -58.752 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.783 -58.777 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.82 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.18 -2.61 1.57 NaCl - O2(g) -55.86 -58.75 -2.89 O2 + O2(g) -55.88 -58.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9882,7 +9870,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.169 Adjusted to redox equilibrium + pe = -0.196 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6893 Density (g/cm³) = 0.99965 Volume (L) = 1.00405 @@ -9890,9 +9878,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.320e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.218e-17 + Total alkalinity (eq/kg) = 3.629e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.300e-17 + Electrical balance (eq) = -3.530e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9909,22 +9897,21 @@ Reaction 1. Cl 6.320e-02 Cl- 6.320e-02 5.048e-02 -1.199 -1.297 -0.098 18.28 HCl 1.681e-09 1.788e-09 -8.774 -8.748 0.027 (0) -H(0) 3.220e-17 - H2 1.610e-17 1.633e-17 -16.793 -16.787 0.006 28.61 +H(0) 3.642e-17 + H2 1.821e-17 1.848e-17 -16.740 -16.733 0.006 28.61 Na 6.320e-02 Na+ 6.320e-02 5.129e-02 -1.199 -1.290 -0.091 -1.17 - NaOH 4.964e-19 5.037e-19 -18.304 -18.298 0.006 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.814 -58.808 0.006 30.40 + O2 0.000e+00 0.000e+00 -58.921 -58.915 0.006 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.63 -16.73 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.16 -2.59 1.57 NaCl - O2(g) -55.92 -58.81 -2.89 O2 + O2(g) -56.02 -58.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9960,7 +9947,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.988 Charge balance - pe = -0.163 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7244 Density (g/cm³) = 0.99979 Volume (L) = 1.00411 @@ -9968,9 +9955,9 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 6.662e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.127e-17 + Total alkalinity (eq/kg) = 3.229e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.635e-17 + Electrical balance (eq) = -4.712e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -9987,22 +9974,21 @@ Reaction 1. Cl 6.662e-02 Cl- 6.662e-02 5.298e-02 -1.176 -1.276 -0.100 18.29 HCl 1.759e-09 1.878e-09 -8.755 -8.726 0.028 (0) -H(0) 3.130e-17 - H2 1.565e-17 1.589e-17 -16.805 -16.799 0.007 28.61 +H(0) 3.231e-17 + H2 1.615e-17 1.640e-17 -16.792 -16.785 0.007 28.61 Na 6.662e-02 Na+ 6.662e-02 5.386e-02 -1.176 -1.269 -0.092 -1.17 - NaOH 5.205e-19 5.285e-19 -18.284 -18.277 0.007 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.791 -58.784 0.007 30.40 + O2 0.000e+00 0.000e+00 -58.818 -58.812 0.007 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.68 -16.79 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.11 -2.54 1.57 NaCl - O2(g) -55.89 -58.78 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10038,7 +10024,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.987 Charge balance - pe = -0.208 Adjusted to redox equilibrium + pe = -0.222 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8302 Density (g/cm³) = 1.00021 Volume (L) = 1.00429 @@ -10046,9 +10032,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 7.699e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.584e-17 + Total alkalinity (eq/kg) = 4.025e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.062e-17 + Electrical balance (eq) = -9.700e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10065,22 +10051,21 @@ Reaction 1. Cl 7.699e-02 Cl- 7.699e-02 6.045e-02 -1.114 -1.219 -0.105 18.30 HCl 1.991e-09 2.147e-09 -8.701 -8.668 0.033 (0) -H(0) 3.863e-17 - H2 1.931e-17 1.966e-17 -16.714 -16.706 0.008 28.61 +H(0) 4.106e-17 + H2 2.053e-17 2.090e-17 -16.688 -16.680 0.008 28.61 Na 7.699e-02 Na+ 7.699e-02 6.160e-02 -1.114 -1.210 -0.097 -1.14 - NaOH 5.925e-19 6.030e-19 -18.227 -18.220 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.977 -58.969 0.008 30.40 + O2 0.000e+00 0.000e+00 -59.030 -59.023 0.008 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.58 -16.68 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.00 -2.43 1.57 NaCl - O2(g) -56.08 -58.97 -2.89 O2 + O2(g) -56.13 -59.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10116,7 +10101,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.986 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8546 Density (g/cm³) = 1.00031 Volume (L) = 1.00433 @@ -10124,9 +10109,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 7.940e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.137e-17 + Total alkalinity (eq/kg) = 3.244e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.518e-16 + Electrical balance (eq) = -1.526e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10143,22 +10128,21 @@ Reaction 1. Cl 7.940e-02 Cl- 7.940e-02 6.217e-02 -1.100 -1.206 -0.106 18.31 HCl 2.044e-09 2.210e-09 -8.689 -8.656 0.034 (0) -H(0) 3.162e-17 - H2 1.581e-17 1.610e-17 -16.801 -16.793 0.008 28.61 +H(0) 3.244e-17 + H2 1.622e-17 1.652e-17 -16.790 -16.782 0.008 28.61 Na 7.940e-02 Na+ 7.940e-02 6.339e-02 -1.100 -1.198 -0.098 -1.14 - NaOH 6.090e-19 6.202e-19 -18.215 -18.207 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.804 -58.796 0.008 30.40 + O2 0.000e+00 0.000e+00 -58.826 -58.818 0.008 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.97 -2.40 1.57 NaCl - O2(g) -55.90 -58.80 -2.89 O2 + O2(g) -55.93 -58.82 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10194,7 +10178,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.986 Charge balance - pe = -0.131 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 8610 Density (g/cm³) = 1.00034 Volume (L) = 1.00434 @@ -10202,9 +10186,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 8.004e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.686e-17 + Total alkalinity (eq/kg) = 2.688e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.334e-16 + Electrical balance (eq) = -1.754e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10221,13 +10205,12 @@ Reaction 1. Cl 8.004e-02 Cl- 8.004e-02 6.263e-02 -1.097 -1.203 -0.107 18.31 HCl 2.058e-09 2.226e-09 -8.687 -8.652 0.034 (0) -H(0) 2.700e-17 - H2 1.350e-17 1.375e-17 -16.870 -16.862 0.008 28.61 +H(0) 2.688e-17 + H2 1.344e-17 1.369e-17 -16.872 -16.864 0.008 28.61 Na 8.004e-02 Na+ 8.004e-02 6.386e-02 -1.097 -1.195 -0.098 -1.13 - NaOH 6.134e-19 6.248e-19 -18.212 -18.204 0.008 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.667 -58.659 0.008 30.40 + O2 0.000e+00 0.000e+00 -58.663 -58.655 0.008 30.40 ------------------------------Saturation indices------------------------------- @@ -10236,7 +10219,7 @@ O(0) 0.000e+00 H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.97 -2.40 1.57 NaCl - O2(g) -55.77 -58.66 -2.89 O2 + O2(g) -55.76 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10272,7 +10255,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.225 Adjusted to redox equilibrium + pe = -0.131 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9942 Density (g/cm³) = 1.00088 Volume (L) = 1.00457 @@ -10280,9 +10263,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.330e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.916e-17 + Total alkalinity (eq/kg) = 2.603e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.060e-16 + Electrical balance (eq) = -1.361e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10299,22 +10282,21 @@ Reaction 1. Cl 9.330e-02 Cl- 9.330e-02 7.199e-02 -1.030 -1.143 -0.113 18.33 HCl 2.341e-09 2.565e-09 -8.631 -8.591 0.040 (0) -H(0) 4.182e-17 - H2 2.091e-17 2.137e-17 -16.680 -16.670 0.009 28.61 +H(0) 2.704e-17 + H2 1.352e-17 1.381e-17 -16.869 -16.860 0.009 28.61 Na 9.330e-02 Na+ 9.330e-02 7.362e-02 -1.030 -1.133 -0.103 -1.11 - NaOH 7.029e-19 7.182e-19 -18.153 -18.144 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.052 -59.042 0.009 30.40 + O2 0.000e+00 0.000e+00 -58.673 -58.663 0.009 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.57 -16.67 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.85 -2.28 1.57 NaCl - O2(g) -56.15 -59.04 -2.89 O2 + O2(g) -55.77 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10350,7 +10332,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.218 Adjusted to redox equilibrium + pe = -0.143 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10096 Density (g/cm³) = 1.00094 Volume (L) = 1.00460 @@ -10358,9 +10340,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.485e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.031e-17 + Total alkalinity (eq/kg) = 2.837e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.380e-16 + Electrical balance (eq) = -3.740e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10377,22 +10359,21 @@ Reaction 1. Cl 9.485e-02 Cl- 9.485e-02 7.307e-02 -1.023 -1.136 -0.113 18.33 HCl 2.373e-09 2.604e-09 -8.625 -8.584 0.040 (0) -H(0) 4.052e-17 - H2 2.026e-17 2.071e-17 -16.693 -16.684 0.009 28.61 +H(0) 2.860e-17 + H2 1.430e-17 1.462e-17 -16.845 -16.835 0.009 28.61 Na 9.485e-02 Na+ 9.485e-02 7.475e-02 -1.023 -1.126 -0.103 -1.10 - NaOH 7.133e-19 7.290e-19 -18.147 -18.137 0.009 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.025 -59.015 0.009 30.40 + O2 0.000e+00 0.000e+00 -58.722 -58.712 0.009 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.73 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.83 -2.26 1.57 NaCl - O2(g) -56.12 -59.02 -2.89 O2 + O2(g) -55.82 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10428,7 +10409,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.145 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10470 Density (g/cm³) = 1.00109 Volume (L) = 1.00467 @@ -10436,9 +10417,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.860e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.764e-17 + Total alkalinity (eq/kg) = 2.680e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.178e-16 + Electrical balance (eq) = -4.623e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10455,22 +10436,21 @@ Reaction 1. Cl 9.860e-02 Cl- 9.860e-02 7.569e-02 -1.006 -1.121 -0.115 18.34 HCl 2.450e-09 2.699e-09 -8.611 -8.569 0.042 (0) -H(0) 2.897e-17 - H2 1.448e-17 1.482e-17 -16.839 -16.829 0.010 28.61 +H(0) 2.698e-17 + H2 1.349e-17 1.380e-17 -16.870 -16.860 0.010 28.61 Na 9.860e-02 Na+ 9.860e-02 7.749e-02 -1.006 -1.111 -0.105 -1.09 - NaOH 7.382e-19 7.552e-19 -18.132 -18.122 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.734 -58.724 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.672 -58.663 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.80 -2.23 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.77 -58.66 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10506,7 +10486,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.145 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10554 Density (g/cm³) = 1.00113 Volume (L) = 1.00468 @@ -10514,9 +10494,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.945e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.437e-17 + Total alkalinity (eq/kg) = 3.073e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.607e-17 + Electrical balance (eq) = -5.576e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10533,22 +10513,21 @@ Reaction 1. Cl 9.945e-02 Cl- 9.945e-02 7.628e-02 -1.002 -1.118 -0.115 18.34 HCl 2.468e-09 2.720e-09 -8.608 -8.565 0.042 (0) -H(0) 2.893e-17 - H2 1.447e-17 1.480e-17 -16.840 -16.830 0.010 28.61 +H(0) 3.117e-17 + H2 1.559e-17 1.595e-17 -16.807 -16.797 0.010 28.61 Na 9.945e-02 Na+ 9.945e-02 7.811e-02 -1.002 -1.107 -0.105 -1.09 - NaOH 7.438e-19 7.611e-19 -18.129 -18.119 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.733 -58.724 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.798 -58.788 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.90 -58.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10584,7 +10563,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.137 Adjusted to redox equilibrium + pe = -0.114 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10579 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -10592,9 +10571,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.970e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.755e-17 + Total alkalinity (eq/kg) = 2.501e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.408e-16 + Electrical balance (eq) = -4.816e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10611,22 +10590,21 @@ Reaction 1. Cl 9.970e-02 Cl- 9.970e-02 7.645e-02 -1.001 -1.117 -0.115 18.34 HCl 2.473e-09 2.727e-09 -8.607 -8.564 0.042 (0) -H(0) 2.784e-17 - H2 1.392e-17 1.424e-17 -16.856 -16.846 0.010 28.61 +H(0) 2.512e-17 + H2 1.256e-17 1.285e-17 -16.901 -16.891 0.010 28.61 Na 9.970e-02 Na+ 9.970e-02 7.829e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.455e-19 7.628e-19 -18.128 -18.118 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.700 -58.690 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.611 -58.601 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.79 -16.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.80 -58.69 -2.89 O2 + O2(g) -55.71 -58.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10662,7 +10640,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.169 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10598 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -10670,9 +10648,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.989e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.198e-17 + Total alkalinity (eq/kg) = 3.082e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.699e-16 + Electrical balance (eq) = -5.697e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10689,22 +10667,21 @@ Reaction 1. Cl 9.989e-02 Cl- 9.989e-02 7.659e-02 -1.000 -1.116 -0.115 18.34 HCl 2.477e-09 2.732e-09 -8.606 -8.564 0.043 (0) -H(0) 3.234e-17 - H2 1.617e-17 1.655e-17 -16.791 -16.781 0.010 28.61 +H(0) 3.119e-17 + H2 1.559e-17 1.596e-17 -16.807 -16.797 0.010 28.61 Na 9.989e-02 Na+ 9.989e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09 - NaOH 7.467e-19 7.641e-19 -18.127 -18.117 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.830 -58.820 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.799 -58.789 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.68 -16.78 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.93 -58.82 -2.89 O2 + O2(g) -55.90 -58.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10740,7 +10717,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.221 Adjusted to redox equilibrium + pe = -0.181 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10599 Density (g/cm³) = 1.00114 Volume (L) = 1.00469 @@ -10748,9 +10725,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.990e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.067e-17 + Total alkalinity (eq/kg) = 3.416e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.298e-16 + Electrical balance (eq) = -5.714e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10767,22 +10744,21 @@ Reaction 1. Cl 9.990e-02 Cl- 9.990e-02 7.659e-02 -1.000 -1.116 -0.115 18.34 HCl 2.477e-09 2.732e-09 -8.606 -8.564 0.043 (0) -H(0) 4.100e-17 - H2 2.050e-17 2.098e-17 -16.688 -16.678 0.010 28.61 +H(0) 3.417e-17 + H2 1.708e-17 1.748e-17 -16.767 -16.757 0.010 28.61 Na 9.990e-02 Na+ 9.990e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.468e-19 7.642e-19 -18.127 -18.117 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.037 -59.027 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.868 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.13 -59.03 -2.89 O2 + O2(g) -55.98 -58.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10818,7 +10794,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -10826,9 +10802,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10845,22 +10821,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10896,7 +10871,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -10904,9 +10879,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -10923,22 +10898,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10974,7 +10948,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -10982,9 +10956,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11001,22 +10975,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11052,7 +11025,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.120 Adjusted to redox equilibrium + pe = -0.105 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10609 Density (g/cm³) = 1.00115 Volume (L) = 1.00469 @@ -11060,9 +11033,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.571e-17 + Total alkalinity (eq/kg) = 2.401e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.281e-16 + Electrical balance (eq) = -6.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11079,22 +11052,21 @@ Reaction 1. Cl 1.000e-01 Cl- 1.000e-01 7.666e-02 -1.000 -1.115 -0.115 18.34 HCl 2.479e-09 2.734e-09 -8.606 -8.563 0.043 (0) -H(0) 2.572e-17 - H2 1.286e-17 1.316e-17 -16.891 -16.881 0.010 28.61 +H(0) 2.406e-17 + H2 1.203e-17 1.231e-17 -16.920 -16.910 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.475e-19 7.649e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.621 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.573 -58.563 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.81 -16.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.73 -58.62 -2.89 O2 + O2(g) -55.67 -58.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11130,7 +11102,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.109 Adjusted to redox equilibrium + pe = -0.170 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10628 Density (g/cm³) = 1.00116 Volume (L) = 1.00469 @@ -11138,9 +11110,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.002e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.176e-17 + Total alkalinity (eq/kg) = 3.234e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.970e-16 + Electrical balance (eq) = -5.611e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11157,22 +11129,21 @@ Reaction 1. Cl 1.002e-01 Cl- 1.002e-01 7.680e-02 -0.999 -1.115 -0.116 18.34 HCl 2.483e-09 2.739e-09 -8.605 -8.562 0.043 (0) -H(0) 2.445e-17 - H2 1.222e-17 1.251e-17 -16.913 -16.903 0.010 28.61 +H(0) 3.241e-17 + H2 1.620e-17 1.658e-17 -16.790 -16.780 0.010 28.61 Na 1.002e-01 Na+ 1.002e-01 7.866e-02 -0.999 -1.104 -0.105 -1.09 - NaOH 7.488e-19 7.663e-19 -18.126 -18.116 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.587 -58.577 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.832 -58.822 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -55.69 -58.58 -2.89 O2 + O2(g) -55.93 -58.82 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11208,7 +11179,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10647 Density (g/cm³) = 1.00116 Volume (L) = 1.00470 @@ -11216,9 +11187,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.004e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.529e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.747e-16 + Electrical balance (eq) = -2.344e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11235,22 +11206,21 @@ Reaction 1. Cl 1.004e-01 Cl- 1.004e-01 7.693e-02 -0.998 -1.114 -0.116 18.34 HCl 2.487e-09 2.744e-09 -8.604 -8.562 0.043 (0) -H(0) 3.580e-17 - H2 1.790e-17 1.832e-17 -16.747 -16.737 0.010 28.61 +H(0) 3.311e-17 + H2 1.656e-17 1.694e-17 -16.781 -16.771 0.010 28.61 Na 1.004e-01 Na+ 1.004e-01 7.879e-02 -0.998 -1.104 -0.105 -1.09 - NaOH 7.501e-19 7.676e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.919 -58.909 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.851 -58.841 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.74 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.02 -58.91 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11286,7 +11256,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10647 Density (g/cm³) = 1.00116 Volume (L) = 1.00470 @@ -11294,9 +11264,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.004e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.529e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.747e-16 + Electrical balance (eq) = -2.344e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11313,22 +11283,21 @@ Reaction 1. Cl 1.004e-01 Cl- 1.004e-01 7.693e-02 -0.998 -1.114 -0.116 18.34 HCl 2.487e-09 2.744e-09 -8.604 -8.562 0.043 (0) -H(0) 3.580e-17 - H2 1.790e-17 1.832e-17 -16.747 -16.737 0.010 28.61 +H(0) 3.311e-17 + H2 1.656e-17 1.694e-17 -16.781 -16.771 0.010 28.61 Na 1.004e-01 Na+ 1.004e-01 7.879e-02 -0.998 -1.104 -0.105 -1.09 - NaOH 7.501e-19 7.676e-19 -18.125 -18.115 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.919 -58.909 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.851 -58.841 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.74 -3.10 H2 + H2(g) -13.67 -16.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.79 -2.22 1.57 NaCl - O2(g) -56.02 -58.91 -2.89 O2 + O2(g) -55.95 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11364,7 +11333,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.111 Adjusted to redox equilibrium + pe = -0.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10698 Density (g/cm³) = 1.00119 Volume (L) = 1.00471 @@ -11372,9 +11341,9 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 1.009e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.096e-17 + Total alkalinity (eq/kg) = 3.098e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.793e-16 + Electrical balance (eq) = -5.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11391,22 +11360,21 @@ Reaction 1. Cl 1.009e-01 Cl- 1.009e-01 7.729e-02 -0.996 -1.112 -0.116 18.34 HCl 2.497e-09 2.757e-09 -8.603 -8.560 0.043 (0) -H(0) 2.472e-17 - H2 1.236e-17 1.265e-17 -16.908 -16.898 0.010 28.61 +H(0) 3.101e-17 + H2 1.550e-17 1.587e-17 -16.810 -16.799 0.010 28.61 Na 1.009e-01 Na+ 1.009e-01 7.916e-02 -0.996 -1.101 -0.105 -1.09 - NaOH 7.534e-19 7.711e-19 -18.123 -18.113 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.597 -58.587 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.794 -58.784 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.70 -16.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.78 -2.21 1.57 NaCl - O2(g) -55.69 -58.59 -2.89 O2 + O2(g) -55.89 -58.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11442,7 +11410,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.985 Charge balance - pe = -0.144 Adjusted to redox equilibrium + pe = -0.135 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10954 Density (g/cm³) = 1.00129 Volume (L) = 1.00475 @@ -11450,9 +11418,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.035e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.745e-17 + Total alkalinity (eq/kg) = 2.717e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.631e-16 + Electrical balance (eq) = -7.160e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11469,22 +11437,21 @@ Reaction 1. Cl 1.035e-01 Cl- 1.035e-01 7.908e-02 -0.985 -1.102 -0.117 18.34 HCl 2.550e-09 2.822e-09 -8.593 -8.549 0.044 (0) -H(0) 2.885e-17 - H2 1.442e-17 1.477e-17 -16.841 -16.831 0.010 28.61 +H(0) 2.758e-17 + H2 1.379e-17 1.412e-17 -16.860 -16.850 0.010 28.61 Na 1.035e-01 Na+ 1.035e-01 8.105e-02 -0.985 -1.091 -0.106 -1.09 - NaOH 7.705e-19 7.891e-19 -18.113 -18.103 0.010 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.732 -58.722 0.010 30.40 + O2 0.000e+00 0.000e+00 -58.693 -58.683 0.010 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.73 -16.83 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.76 -2.19 1.57 NaCl - O2(g) -55.83 -58.72 -2.89 O2 + O2(g) -55.79 -58.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11520,7 +11487,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.179 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11689 Density (g/cm³) = 1.00159 Volume (L) = 1.00488 @@ -11528,9 +11495,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.109e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.364e-17 + Total alkalinity (eq/kg) = 4.011e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.005e-15 + Electrical balance (eq) = -1.064e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11547,22 +11514,21 @@ Reaction 1. Cl 1.109e-01 Cl- 1.109e-01 8.421e-02 -0.955 -1.075 -0.120 18.35 HCl 2.699e-09 3.009e-09 -8.569 -8.522 0.047 (0) -H(0) 3.386e-17 - H2 1.693e-17 1.737e-17 -16.771 -16.760 0.011 28.61 +H(0) 4.613e-17 + H2 2.306e-17 2.366e-17 -16.637 -16.626 0.011 28.61 Na 1.109e-01 Na+ 1.109e-01 8.644e-02 -0.955 -1.063 -0.108 -1.07 - NaOH 8.192e-19 8.404e-19 -18.087 -18.075 0.011 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.874 -58.863 0.011 30.40 + O2 0.000e+00 0.000e+00 -59.142 -59.131 0.011 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.52 -16.63 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.71 -2.14 1.57 NaCl - O2(g) -55.97 -58.86 -2.89 O2 + O2(g) -56.24 -59.13 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11598,7 +11564,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.211 Adjusted to redox equilibrium + pe = -0.140 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11832 Density (g/cm³) = 1.00165 Volume (L) = 1.00491 @@ -11606,9 +11572,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.124e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.797e-17 + Total alkalinity (eq/kg) = 2.711e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.146e-15 + Electrical balance (eq) = -1.266e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11625,22 +11591,21 @@ Reaction 1. Cl 1.124e-01 Cl- 1.124e-01 8.522e-02 -0.949 -1.069 -0.120 18.36 HCl 2.728e-09 3.045e-09 -8.564 -8.516 0.048 (0) -H(0) 3.915e-17 - H2 1.957e-17 2.009e-17 -16.708 -16.697 0.011 28.61 +H(0) 2.825e-17 + H2 1.413e-17 1.450e-17 -16.850 -16.839 0.011 28.61 Na 1.124e-01 Na+ 1.124e-01 8.750e-02 -0.949 -1.058 -0.109 -1.07 - NaOH 8.287e-19 8.505e-19 -18.082 -18.070 0.011 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.000 -58.989 0.011 30.40 + O2 0.000e+00 0.000e+00 -58.717 -58.706 0.011 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.70 -2.13 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.81 -58.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11676,7 +11641,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.198 Adjusted to redox equilibrium + pe = -0.130 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12553 Density (g/cm³) = 1.00195 Volume (L) = 1.00504 @@ -11684,9 +11649,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.198e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.632e-17 + Total alkalinity (eq/kg) = 2.665e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.261e-15 + Electrical balance (eq) = -1.548e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11703,22 +11668,21 @@ Reaction 1. Cl 1.198e-01 Cl- 1.198e-01 9.024e-02 -0.922 -1.045 -0.123 18.37 HCl 2.871e-09 3.228e-09 -8.542 -8.491 0.051 (0) -H(0) 3.693e-17 - H2 1.847e-17 1.898e-17 -16.734 -16.722 0.012 28.61 +H(0) 2.697e-17 + H2 1.349e-17 1.386e-17 -16.870 -16.858 0.012 28.61 Na 1.198e-01 Na+ 1.198e-01 9.280e-02 -0.922 -1.032 -0.111 -1.05 - NaOH 8.763e-19 9.008e-19 -18.057 -18.045 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.952 -58.940 0.012 30.40 + O2 0.000e+00 0.000e+00 -58.679 -58.667 0.012 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.65 -2.08 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -55.77 -58.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11754,7 +11718,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = -0.135 Adjusted to redox equilibrium + pe = -0.152 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 12651 Density (g/cm³) = 1.00199 Volume (L) = 1.00506 @@ -11762,9 +11726,9 @@ Reaction 1. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.208e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.760e-17 + Total alkalinity (eq/kg) = 2.872e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.510e-15 + Electrical balance (eq) = -1.746e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11781,22 +11745,21 @@ Reaction 1. Cl 1.208e-01 Cl- 1.208e-01 9.092e-02 -0.918 -1.041 -0.123 18.37 HCl 2.890e-09 3.253e-09 -8.539 -8.488 0.051 (0) -H(0) 2.761e-17 - H2 1.381e-17 1.419e-17 -16.860 -16.848 0.012 28.61 +H(0) 2.995e-17 + H2 1.498e-17 1.540e-17 -16.825 -16.813 0.012 28.61 Na 1.208e-01 Na+ 1.208e-01 9.352e-02 -0.918 -1.029 -0.111 -1.05 - NaOH 8.827e-19 9.076e-19 -18.054 -18.042 0.012 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.700 -58.688 0.012 30.40 + O2 0.000e+00 0.000e+00 -58.771 -58.758 0.012 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.64 -2.07 1.57 NaCl - O2(g) -55.80 -58.69 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11832,7 +11795,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.083 Adjusted to redox equilibrium + pe = -0.124 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14676 Density (g/cm³) = 1.00284 Volume (L) = 1.00543 @@ -11840,9 +11803,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.417e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.419e-17 + Total alkalinity (eq/kg) = 1.803e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.824e-15 + Electrical balance (eq) = -2.384e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11859,22 +11822,21 @@ Reaction 1. Cl 1.417e-01 Cl- 1.417e-01 1.050e-01 -0.849 -0.979 -0.130 18.39 HCl 3.279e-09 3.767e-09 -8.484 -8.424 0.060 (0) -H(0) 2.182e-17 - H2 1.091e-17 1.127e-17 -16.962 -16.948 0.014 28.61 +H(0) 2.627e-17 + H2 1.314e-17 1.357e-17 -16.882 -16.867 0.014 28.61 Na 1.417e-01 Na+ 1.417e-01 1.085e-01 -0.849 -0.965 -0.116 -1.02 - NaOH 1.015e-18 1.049e-18 -17.993 -17.979 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.502 -58.488 0.014 30.40 + O2 0.000e+00 0.000e+00 -58.664 -58.650 0.014 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.85 -16.95 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.51 -1.94 1.57 NaCl - O2(g) -55.60 -58.49 -2.89 O2 + O2(g) -55.76 -58.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11910,7 +11872,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.071 Adjusted to redox equilibrium + pe = -0.150 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14851 Density (g/cm³) = 1.00291 Volume (L) = 1.00546 @@ -11918,9 +11880,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.435e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.962e-17 + Total alkalinity (eq/kg) = 2.485e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.556e-15 + Electrical balance (eq) = -5.586e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -11937,22 +11899,21 @@ Reaction 1. Cl 1.435e-01 Cl- 1.435e-01 1.062e-01 -0.843 -0.974 -0.131 18.40 HCl 3.312e-09 3.812e-09 -8.480 -8.419 0.061 (0) -H(0) 2.063e-17 - H2 1.031e-17 1.066e-17 -16.987 -16.972 0.014 28.61 +H(0) 2.968e-17 + H2 1.484e-17 1.534e-17 -16.829 -16.814 0.014 28.61 Na 1.435e-01 Na+ 1.435e-01 1.098e-01 -0.843 -0.960 -0.116 -1.01 - NaOH 1.027e-18 1.061e-18 -17.989 -17.974 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.454 -58.440 0.014 30.40 + O2 0.000e+00 0.000e+00 -58.770 -58.756 0.014 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.87 -16.97 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -3.50 -1.93 1.57 NaCl - O2(g) -55.55 -58.44 -2.89 O2 + O2(g) -55.86 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11988,7 +11949,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.247 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15340 Density (g/cm³) = 1.00312 Volume (L) = 1.00555 @@ -11996,9 +11957,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.486e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.361e-17 + Total alkalinity (eq/kg) = 4.638e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.690e-15 + Electrical balance (eq) = -7.219e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12015,22 +11976,21 @@ Reaction 1. Cl 1.486e-01 Cl- 1.486e-01 1.096e-01 -0.828 -0.960 -0.132 18.40 HCl 3.403e-09 3.936e-09 -8.468 -8.405 0.063 (0) -H(0) 4.535e-17 - H2 2.267e-17 2.346e-17 -16.644 -16.630 0.015 28.61 +H(0) 4.647e-17 + H2 2.323e-17 2.404e-17 -16.634 -16.619 0.015 28.61 Na 1.486e-01 Na+ 1.486e-01 1.134e-01 -0.828 -0.945 -0.117 -1.01 - NaOH 1.059e-18 1.095e-18 -17.975 -17.960 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.140 -59.125 0.015 30.40 + O2 0.000e+00 0.000e+00 -59.161 -59.146 0.015 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.48 -1.91 1.57 NaCl - O2(g) -56.23 -59.13 -2.89 O2 + O2(g) -56.25 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12066,7 +12026,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.114 Adjusted to redox equilibrium + pe = -0.206 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15856 Density (g/cm³) = 1.00333 Volume (L) = 1.00565 @@ -12074,9 +12034,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.540e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.392e-17 + Total alkalinity (eq/kg) = 3.603e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.882e-15 + Electrical balance (eq) = -6.917e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12093,22 +12053,21 @@ Reaction 1. Cl 1.540e-01 Cl- 1.540e-01 1.132e-01 -0.812 -0.946 -0.134 18.41 HCl 3.497e-09 4.067e-09 -8.456 -8.391 0.066 (0) -H(0) 2.517e-17 - H2 1.259e-17 1.304e-17 -16.900 -16.885 0.015 28.61 +H(0) 3.832e-17 + H2 1.916e-17 1.985e-17 -16.718 -16.702 0.015 28.61 Na 1.540e-01 Na+ 1.540e-01 1.172e-01 -0.812 -0.931 -0.119 -1.00 - NaOH 1.092e-18 1.131e-18 -17.962 -17.946 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.631 -58.615 0.015 30.40 + O2 0.000e+00 0.000e+00 -58.996 -58.980 0.015 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.45 -1.88 1.57 NaCl - O2(g) -55.72 -58.62 -2.89 O2 + O2(g) -56.09 -58.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12144,7 +12103,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.982 Charge balance - pe = -0.306 Adjusted to redox equilibrium + pe = -0.312 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 15989 Density (g/cm³) = 1.00339 Volume (L) = 1.00567 @@ -12152,9 +12111,9 @@ Reaction 1. Activity of water = 0.995 Ionic strength (mol/kgw) = 1.554e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.476e-17 + Total alkalinity (eq/kg) = 3.527e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.264e-15 + Electrical balance (eq) = -9.320e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12171,22 +12130,21 @@ Reaction 1. Cl 1.554e-01 Cl- 1.554e-01 1.141e-01 -0.809 -0.943 -0.134 18.41 HCl 3.522e-09 4.101e-09 -8.453 -8.387 0.066 (0) -H(0) 6.091e-17 - H2 3.046e-17 3.157e-17 -16.516 -16.501 0.016 28.61 +H(0) 6.262e-17 + H2 3.131e-17 3.245e-17 -16.504 -16.489 0.016 28.61 Na 1.554e-01 Na+ 1.554e-01 1.182e-01 -0.809 -0.927 -0.119 -1.00 - NaOH 1.101e-18 1.141e-18 -17.958 -17.943 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.399 -59.383 0.016 30.40 + O2 0.000e+00 0.000e+00 -59.423 -59.407 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -13.39 -16.49 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.44 -1.87 1.57 NaCl - O2(g) -56.49 -59.38 -2.89 O2 + O2(g) -56.51 -59.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12222,7 +12180,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.089 Adjusted to redox equilibrium + pe = -0.136 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16641 Density (g/cm³) = 1.00367 Volume (L) = 1.00579 @@ -12230,9 +12188,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.623e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.235e-17 + Total alkalinity (eq/kg) = 2.285e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.104e-14 + Electrical balance (eq) = -1.190e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12249,22 +12207,21 @@ Reaction 1. Cl 1.623e-01 Cl- 1.623e-01 1.186e-01 -0.790 -0.926 -0.136 18.42 HCl 3.639e-09 4.266e-09 -8.439 -8.370 0.069 (0) -H(0) 2.240e-17 - H2 1.120e-17 1.162e-17 -16.951 -16.935 0.016 28.61 +H(0) 2.782e-17 + H2 1.391e-17 1.444e-17 -16.857 -16.840 0.016 28.61 Na 1.623e-01 Na+ 1.623e-01 1.231e-01 -0.790 -0.910 -0.120 -0.99 - NaOH 1.143e-18 1.186e-18 -17.942 -17.926 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.532 -58.516 0.016 30.40 + O2 0.000e+00 0.000e+00 -58.720 -58.704 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.83 -16.93 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.41 -1.84 1.57 NaCl - O2(g) -55.62 -58.52 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12300,7 +12257,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.098 Adjusted to redox equilibrium + pe = -0.163 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16882 Density (g/cm³) = 1.00377 Volume (L) = 1.00584 @@ -12308,9 +12265,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.648e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.272e-17 + Total alkalinity (eq/kg) = 3.155e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.313e-14 + Electrical balance (eq) = -1.078e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12327,22 +12284,21 @@ Reaction 1. Cl 1.648e-01 Cl- 1.648e-01 1.203e-01 -0.783 -0.920 -0.137 18.42 HCl 3.682e-09 4.328e-09 -8.434 -8.364 0.070 (0) -H(0) 2.339e-17 - H2 1.170e-17 1.215e-17 -16.932 -16.915 0.016 28.61 +H(0) 3.156e-17 + H2 1.578e-17 1.639e-17 -16.802 -16.785 0.016 28.61 Na 1.648e-01 Na+ 1.648e-01 1.248e-01 -0.783 -0.904 -0.121 -0.98 - NaOH 1.158e-18 1.203e-18 -17.936 -17.920 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.570 -58.554 0.016 30.40 + O2 0.000e+00 0.000e+00 -58.830 -58.814 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.81 -16.92 -3.10 H2 + H2(g) -13.68 -16.79 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.39 -1.82 1.57 NaCl - O2(g) -55.66 -58.55 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12378,7 +12334,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.154 Adjusted to redox equilibrium + pe = -0.237 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16952 Density (g/cm³) = 1.00380 Volume (L) = 1.00585 @@ -12386,9 +12342,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.655e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.987e-17 + Total alkalinity (eq/kg) = 4.390e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.351e-14 + Electrical balance (eq) = -1.294e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12405,22 +12361,21 @@ Reaction 1. Cl 1.655e-01 Cl- 1.655e-01 1.208e-01 -0.781 -0.918 -0.137 18.42 HCl 3.695e-09 4.345e-09 -8.432 -8.362 0.070 (0) -H(0) 3.025e-17 - H2 1.512e-17 1.571e-17 -16.820 -16.804 0.017 28.61 +H(0) 4.425e-17 + H2 2.212e-17 2.298e-17 -16.655 -16.639 0.017 28.61 Na 1.655e-01 Na+ 1.655e-01 1.254e-01 -0.781 -0.902 -0.121 -0.98 - NaOH 1.163e-18 1.208e-18 -17.934 -17.918 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.794 -58.777 0.017 30.40 + O2 0.000e+00 0.000e+00 -59.124 -59.108 0.017 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.70 -16.80 -3.10 H2 + H2(g) -13.54 -16.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.39 -1.82 1.57 NaCl - O2(g) -55.88 -58.78 -2.89 O2 + O2(g) -56.22 -59.11 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12456,7 +12411,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.439 Adjusted to redox equilibrium + pe = -0.135 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 17704 Density (g/cm³) = 1.00412 Volume (L) = 1.00600 @@ -12464,9 +12419,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.735e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.586e-17 + Total alkalinity (eq/kg) = 2.749e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.266e-10 + Electrical balance (eq) = -1.850e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12483,22 +12438,21 @@ Reaction 1. Cl 1.735e-01 Cl- 1.735e-01 1.260e-01 -0.761 -0.900 -0.139 18.43 HCl 3.827e-09 4.537e-09 -8.417 -8.343 0.074 (0) -H(0) 1.123e-16 - H2 5.615e-17 5.844e-17 -16.251 -16.233 0.017 28.61 +H(0) 2.765e-17 + H2 1.383e-17 1.439e-17 -16.859 -16.842 0.017 28.61 Na 1.735e-01 Na+ 1.735e-01 1.310e-01 -0.761 -0.883 -0.122 -0.97 - NaOH 1.211e-18 1.261e-18 -17.917 -17.899 0.017 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.936 -59.919 0.017 30.40 + O2 0.000e+00 0.000e+00 -58.719 -58.701 0.017 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.13 -16.23 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.35 -1.78 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -55.81 -58.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12534,7 +12488,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.183 Adjusted to redox equilibrium + pe = -0.174 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18024 Density (g/cm³) = 1.00426 Volume (L) = 1.00606 @@ -12542,9 +12496,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.769e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.637e-17 + Total alkalinity (eq/kg) = 3.104e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.151e-14 + Electrical balance (eq) = -1.738e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12561,22 +12515,21 @@ Reaction 1. Cl 1.769e-01 Cl- 1.769e-01 1.282e-01 -0.752 -0.892 -0.140 18.43 HCl 3.883e-09 4.618e-09 -8.411 -8.336 0.075 (0) -H(0) 3.449e-17 - H2 1.724e-17 1.796e-17 -16.763 -16.746 0.018 28.61 +H(0) 3.316e-17 + H2 1.658e-17 1.727e-17 -16.780 -16.763 0.018 28.61 Na 1.769e-01 Na+ 1.769e-01 1.334e-01 -0.752 -0.875 -0.123 -0.96 - NaOH 1.232e-18 1.283e-18 -17.909 -17.892 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.912 -58.894 0.018 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.860 0.018 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.75 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.34 -1.77 1.57 NaCl - O2(g) -56.00 -58.89 -2.89 O2 + O2(g) -55.97 -58.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12612,7 +12565,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.981 Charge balance - pe = -0.280 Adjusted to redox equilibrium + pe = -0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18167 Density (g/cm³) = 1.00432 Volume (L) = 1.00608 @@ -12620,9 +12573,9 @@ Reaction 1. Activity of water = 0.994 Ionic strength (mol/kgw) = 1.784e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.264e-17 + Total alkalinity (eq/kg) = 3.673e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.859e-14 + Electrical balance (eq) = -2.036e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12639,22 +12592,21 @@ Reaction 1. Cl 1.784e-01 Cl- 1.784e-01 1.292e-01 -0.749 -0.889 -0.140 18.44 HCl 3.908e-09 4.654e-09 -8.408 -8.332 0.076 (0) -H(0) 5.406e-17 - H2 2.703e-17 2.816e-17 -16.568 -16.550 0.018 28.61 +H(0) 3.684e-17 + H2 1.842e-17 1.919e-17 -16.735 -16.717 0.018 28.61 Na 1.784e-01 Na+ 1.784e-01 1.344e-01 -0.749 -0.871 -0.123 -0.96 - NaOH 1.241e-18 1.293e-18 -17.906 -17.888 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.303 -59.285 0.018 30.40 + O2 0.000e+00 0.000e+00 -58.969 -58.952 0.018 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.55 -3.10 H2 + H2(g) -13.62 -16.72 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.33 -1.76 1.57 NaCl - O2(g) -56.39 -59.28 -2.89 O2 + O2(g) -56.06 -58.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12690,7 +12642,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.204 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 19949 Density (g/cm³) = 1.00508 Volume (L) = 1.00643 @@ -12698,11 +12650,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.975e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.500e-17 + Total alkalinity (eq/kg) = 3.804e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.472e-10 + Electrical balance (eq) = -8.432e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -12717,22 +12669,21 @@ Reaction 1. Cl 1.975e-01 Cl- 1.975e-01 1.415e-01 -0.704 -0.849 -0.145 18.46 HCl 4.209e-09 5.108e-09 -8.376 -8.292 0.084 (0) -H(0) 5.312e-17 - H2 2.656e-17 2.779e-17 -16.576 -16.556 0.020 28.61 +H(0) 3.810e-17 + H2 1.905e-17 1.994e-17 -16.720 -16.700 0.020 28.61 Na 1.975e-01 Na+ 1.975e-01 1.478e-01 -0.704 -0.830 -0.126 -0.94 - NaOH 1.355e-18 1.418e-18 -17.868 -17.848 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.293 -59.274 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.005 -58.985 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.56 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.38 -59.27 -2.89 O2 + O2(g) -56.09 -58.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12768,7 +12719,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.245 Adjusted to redox equilibrium + pe = -0.227 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20006 Density (g/cm³) = 1.00511 Volume (L) = 1.00644 @@ -12776,9 +12727,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.981e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.828e-17 + Total alkalinity (eq/kg) = 4.090e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.062e-14 + Electrical balance (eq) = -3.971e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12795,22 +12746,21 @@ Reaction 1. Cl 1.981e-01 Cl- 1.981e-01 1.419e-01 -0.703 -0.848 -0.145 18.46 HCl 4.219e-09 5.123e-09 -8.375 -8.291 0.084 (0) -H(0) 4.585e-17 - H2 2.293e-17 2.399e-17 -16.640 -16.620 0.020 28.61 +H(0) 4.220e-17 + H2 2.110e-17 2.209e-17 -16.676 -16.656 0.020 28.61 Na 1.981e-01 Na+ 1.981e-01 1.482e-01 -0.703 -0.829 -0.126 -0.93 - NaOH 1.359e-18 1.422e-18 -17.867 -17.847 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.166 -59.146 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.094 -59.074 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.52 -16.62 -3.10 H2 + H2(g) -13.55 -16.66 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.25 -59.15 -2.89 O2 + O2(g) -56.18 -59.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12846,7 +12796,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.191 Adjusted to redox equilibrium + pe = -0.173 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20042 Density (g/cm³) = 1.00512 Volume (L) = 1.00644 @@ -12854,9 +12804,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 1.985e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.109e-17 + Total alkalinity (eq/kg) = 2.514e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.676e-14 + Electrical balance (eq) = -2.546e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12873,22 +12823,21 @@ Reaction 1. Cl 1.985e-01 Cl- 1.985e-01 1.421e-01 -0.702 -0.847 -0.145 18.46 HCl 4.225e-09 5.132e-09 -8.374 -8.290 0.084 (0) -H(0) 3.579e-17 - H2 1.789e-17 1.873e-17 -16.747 -16.727 0.020 28.61 +H(0) 3.290e-17 + H2 1.645e-17 1.722e-17 -16.784 -16.764 0.020 28.61 Na 1.985e-01 Na+ 1.985e-01 1.485e-01 -0.702 -0.828 -0.126 -0.93 - NaOH 1.361e-18 1.425e-18 -17.866 -17.846 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.951 -58.931 0.020 30.40 + O2 0.000e+00 0.000e+00 -58.878 -58.858 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.63 -16.73 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -56.04 -58.93 -2.89 O2 + O2(g) -55.97 -58.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12924,7 +12873,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.199 Adjusted to redox equilibrium + pe = -0.229 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20182 Density (g/cm³) = 1.00518 Volume (L) = 1.00647 @@ -12932,9 +12881,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.468e-17 + Total alkalinity (eq/kg) = 2.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.553e-14 + Electrical balance (eq) = -4.585e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -12951,22 +12900,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.431e-01 -0.699 -0.844 -0.145 18.46 HCl 4.248e-09 5.168e-09 -8.372 -8.287 0.085 (0) -H(0) 3.711e-17 - H2 1.856e-17 1.943e-17 -16.731 -16.711 0.020 28.61 +H(0) 4.273e-17 + H2 2.136e-17 2.237e-17 -16.670 -16.650 0.020 28.61 Na 2.000e-01 Na+ 2.000e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.434e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.983 -58.963 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.105 -59.085 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.07 -58.96 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13002,7 +12950,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.199 Adjusted to redox equilibrium + pe = -0.229 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20182 Density (g/cm³) = 1.00518 Volume (L) = 1.00647 @@ -13010,9 +12958,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.468e-17 + Total alkalinity (eq/kg) = 2.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.553e-14 + Electrical balance (eq) = -4.585e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13029,22 +12977,21 @@ Reaction 1. Cl 2.000e-01 Cl- 2.000e-01 1.431e-01 -0.699 -0.844 -0.145 18.46 HCl 4.248e-09 5.168e-09 -8.372 -8.287 0.085 (0) -H(0) 3.711e-17 - H2 1.856e-17 1.943e-17 -16.731 -16.711 0.020 28.61 +H(0) 4.273e-17 + H2 2.136e-17 2.237e-17 -16.670 -16.650 0.020 28.61 Na 2.000e-01 Na+ 2.000e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.434e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.983 -58.963 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.105 -59.085 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.07 -58.96 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13080,7 +13027,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20191 Density (g/cm³) = 1.00519 Volume (L) = 1.00647 @@ -13088,11 +13035,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.163e-17 + Total alkalinity (eq/kg) = 4.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.081e-14 + Electrical balance (eq) = -4.029e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13107,22 +13054,21 @@ Reaction 1. Cl 2.001e-01 Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 HCl 4.249e-09 5.170e-09 -8.372 -8.287 0.085 (0) -H(0) 3.617e-17 - H2 1.808e-17 1.894e-17 -16.743 -16.723 0.020 28.61 +H(0) 4.612e-17 + H2 2.306e-17 2.415e-17 -16.637 -16.617 0.020 28.61 Na 2.001e-01 Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.435e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.961 -58.941 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.172 -59.152 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -56.26 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13158,7 +13104,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.193 Adjusted to redox equilibrium + pe = -0.246 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20191 Density (g/cm³) = 1.00519 Volume (L) = 1.00647 @@ -13166,11 +13112,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.163e-17 + Total alkalinity (eq/kg) = 4.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.081e-14 + Electrical balance (eq) = -4.029e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13185,22 +13131,21 @@ Reaction 1. Cl 2.001e-01 Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 HCl 4.249e-09 5.170e-09 -8.372 -8.287 0.085 (0) -H(0) 3.617e-17 - H2 1.808e-17 1.894e-17 -16.743 -16.723 0.020 28.61 +H(0) 4.612e-17 + H2 2.306e-17 2.415e-17 -16.637 -16.617 0.020 28.61 Na 2.001e-01 Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.370e-18 1.435e-18 -17.863 -17.843 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.961 -58.941 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.172 -59.152 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.52 -16.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -56.05 -58.94 -2.89 O2 + O2(g) -56.26 -59.15 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13236,7 +13181,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.980 Charge balance - pe = -0.149 Adjusted to redox equilibrium + pe = 0.001 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20302 Density (g/cm³) = 1.00524 Volume (L) = 1.00649 @@ -13244,11 +13189,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.485e-17 + Total alkalinity (eq/kg) = 8.408e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.855e-14 + Electrical balance (eq) = -1.458e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13263,22 +13208,21 @@ Reaction 1. Cl 2.013e-01 Cl- 2.013e-01 1.439e-01 -0.696 -0.842 -0.146 18.46 HCl 4.267e-09 5.198e-09 -8.370 -8.284 0.086 (0) -H(0) 2.957e-17 - H2 1.479e-17 1.549e-17 -16.830 -16.810 0.020 28.61 +H(0) 1.480e-17 + H2 7.399e-18 7.750e-18 -17.131 -17.111 0.020 28.61 Na 2.013e-01 Na+ 2.013e-01 1.505e-01 -0.696 -0.823 -0.126 -0.93 - NaOH 1.377e-18 1.443e-18 -17.861 -17.841 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.786 -58.766 0.020 30.40 + O2 0.000e+00 0.000e+00 -58.185 -58.165 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.71 -16.81 -3.10 H2 + H2(g) -14.01 -17.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.23 -1.66 1.57 NaCl - O2(g) -55.87 -58.77 -2.89 O2 + O2(g) -55.27 -58.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13314,7 +13258,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.142 Adjusted to redox equilibrium + pe = -0.230 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20342 Density (g/cm³) = 1.00525 Volume (L) = 1.00650 @@ -13322,9 +13266,9 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.017e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.891e-17 + Total alkalinity (eq/kg) = 4.083e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.304e-14 + Electrical balance (eq) = -4.571e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13341,22 +13285,21 @@ Reaction 1. Cl 2.017e-01 Cl- 2.017e-01 1.442e-01 -0.695 -0.841 -0.146 18.46 HCl 4.274e-09 5.208e-09 -8.369 -8.283 0.086 (0) -H(0) 2.857e-17 - H2 1.429e-17 1.497e-17 -16.845 -16.825 0.020 28.61 +H(0) 4.281e-17 + H2 2.140e-17 2.242e-17 -16.669 -16.649 0.020 28.61 Na 2.017e-01 Na+ 2.017e-01 1.508e-01 -0.695 -0.822 -0.126 -0.93 - NaOH 1.380e-18 1.446e-18 -17.860 -17.840 0.020 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.756 -58.736 0.020 30.40 + O2 0.000e+00 0.000e+00 -59.108 -59.087 0.020 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.55 -16.65 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.23 -1.66 1.57 NaCl - O2(g) -55.84 -58.74 -2.89 O2 + O2(g) -56.19 -59.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13392,19 +13335,19 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.166 Adjusted to redox equilibrium + pe = -0.374 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21350 Density (g/cm³) = 1.00569 Volume (L) = 1.00670 - Viscosity (mPa s) = 0.90722 + Viscosity (mPa s) = 0.90723 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.126e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.578e-17 + Total alkalinity (eq/kg) = 4.013e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.587e-14 + Electrical balance (eq) = -7.087e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13419,22 +13362,21 @@ Reaction 1. Cl 2.126e-01 Cl- 2.126e-01 1.512e-01 -0.672 -0.821 -0.148 18.47 HCl 4.437e-09 5.465e-09 -8.353 -8.262 0.090 (0) -H(0) 3.196e-17 - H2 1.598e-17 1.678e-17 -16.796 -16.775 0.021 28.61 +H(0) 8.324e-17 + H2 4.162e-17 4.371e-17 -16.381 -16.359 0.021 28.61 Na 2.126e-01 Na+ 2.126e-01 1.584e-01 -0.672 -0.800 -0.128 -0.92 - NaOH 1.444e-18 1.516e-18 -17.840 -17.819 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.857 -58.836 0.021 30.40 + O2 0.000e+00 0.000e+00 -59.689 -59.667 0.021 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.67 -16.78 -3.10 H2 + H2(g) -13.26 -16.36 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.19 -1.62 1.57 NaCl - O2(g) -55.94 -58.84 -2.89 O2 + O2(g) -56.78 -59.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13470,7 +13412,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.979 Charge balance - pe = -0.222 Adjusted to redox equilibrium + pe = -0.435 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 21910 Density (g/cm³) = 1.00593 Volume (L) = 1.00681 @@ -13478,11 +13420,11 @@ Reaction 1. Activity of water = 0.993 Ionic strength (mol/kgw) = 2.187e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.036e-17 + Total alkalinity (eq/kg) = 3.279e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.989e-14 + Electrical balance (eq) = -9.134e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13497,22 +13439,21 @@ Reaction 1. Cl 2.187e-01 Cl- 2.187e-01 1.550e-01 -0.660 -0.810 -0.149 18.48 HCl 4.526e-09 5.608e-09 -8.344 -8.251 0.093 (0) -H(0) 4.126e-17 - H2 2.063e-17 2.170e-17 -16.686 -16.664 0.022 28.61 +H(0) 1.098e-16 + H2 5.490e-17 5.774e-17 -16.260 -16.239 0.022 28.61 Na 2.187e-01 Na+ 2.187e-01 1.626e-01 -0.660 -0.789 -0.129 -0.91 - NaOH 1.479e-18 1.556e-18 -17.830 -17.808 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.081 -59.059 0.022 30.40 + O2 0.000e+00 0.000e+00 -59.931 -59.909 0.022 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.56 -16.66 -3.10 H2 + H2(g) -13.14 -16.24 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.17 -1.60 1.57 NaCl - O2(g) -56.17 -59.06 -2.89 O2 + O2(g) -57.02 -59.91 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13548,7 +13489,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.351 Adjusted to redox equilibrium + pe = -0.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 22946 Density (g/cm³) = 1.00638 Volume (L) = 1.00701 @@ -13556,11 +13497,11 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.300e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.554e-17 + Total alkalinity (eq/kg) = 2.846e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.206e-14 + Electrical balance (eq) = -1.046e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13575,22 +13516,21 @@ Reaction 1. Cl 2.300e-01 Cl- 2.300e-01 1.622e-01 -0.638 -0.790 -0.152 18.49 HCl 4.687e-09 5.873e-09 -8.329 -8.231 0.098 (0) -H(0) 7.465e-17 - H2 3.733e-17 3.936e-17 -16.428 -16.405 0.023 28.61 +H(0) 3.100e-17 + H2 1.550e-17 1.635e-17 -16.810 -16.787 0.023 28.61 Na 2.300e-01 Na+ 2.300e-01 1.705e-01 -0.638 -0.768 -0.130 -0.89 - NaOH 1.545e-18 1.629e-18 -17.811 -17.788 0.023 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.600 -59.577 0.023 30.40 + O2 0.000e+00 0.000e+00 -58.837 -58.814 0.023 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.30 -16.40 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.13 -1.56 1.57 NaCl - O2(g) -56.68 -59.58 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13626,7 +13566,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.170 Adjusted to redox equilibrium + pe = -0.128 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 23521 Density (g/cm³) = 1.00664 Volume (L) = 1.00713 @@ -13634,9 +13574,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.363e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.231e-17 + Total alkalinity (eq/kg) = 2.108e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.198e-13 + Electrical balance (eq) = -7.993e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13653,22 +13593,21 @@ Reaction 1. Cl 2.363e-01 Cl- 2.363e-01 1.662e-01 -0.627 -0.779 -0.153 18.49 HCl 4.775e-09 6.020e-09 -8.321 -8.220 0.101 (0) -H(0) 3.240e-17 - H2 1.620e-17 1.711e-17 -16.790 -16.767 0.024 28.61 +H(0) 2.672e-17 + H2 1.336e-17 1.411e-17 -16.874 -16.850 0.024 28.61 Na 2.363e-01 Na+ 2.363e-01 1.749e-01 -0.627 -0.757 -0.131 -0.89 - NaOH 1.581e-18 1.670e-18 -17.801 -17.777 0.024 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.877 -58.853 0.024 30.40 + O2 0.000e+00 0.000e+00 -58.710 -58.686 0.024 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.67 -16.77 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.11 -1.54 1.57 NaCl - O2(g) -55.96 -58.85 -2.89 O2 + O2(g) -55.79 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13704,7 +13643,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.034 Adjusted to redox equilibrium + pe = -0.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24756 Density (g/cm³) = 1.00718 Volume (L) = 1.00737 @@ -13712,9 +13651,9 @@ Reaction 1. Activity of water = 0.992 Ionic strength (mol/kgw) = 2.499e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.564e-17 + Total alkalinity (eq/kg) = 5.344e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.687e-13 + Electrical balance (eq) = -1.394e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13731,22 +13670,21 @@ Reaction 1. Cl 2.499e-01 Cl- 2.499e-01 1.747e-01 -0.602 -0.758 -0.155 18.51 HCl 4.960e-09 6.336e-09 -8.305 -8.198 0.106 (0) -H(0) 1.733e-17 - H2 8.663e-18 9.176e-18 -17.062 -17.037 0.025 28.61 +H(0) 6.267e-17 + H2 3.133e-17 3.319e-17 -16.504 -16.479 0.025 28.61 Na 2.499e-01 Na+ 2.499e-01 1.843e-01 -0.602 -0.734 -0.132 -0.87 - NaOH 1.659e-18 1.757e-18 -17.780 -17.755 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.338 -58.313 0.025 30.40 + O2 0.000e+00 0.000e+00 -59.454 -59.429 0.025 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.94 -17.04 -3.10 H2 + H2(g) -13.38 -16.48 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.06 -1.49 1.57 NaCl - O2(g) -55.42 -58.31 -2.89 O2 + O2(g) -56.54 -59.43 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13782,7 +13720,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.978 Charge balance - pe = -0.230 Adjusted to redox equilibrium + pe = -0.117 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 24849 Density (g/cm³) = 1.00722 Volume (L) = 1.00739 @@ -13790,11 +13728,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.509e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.915e-17 + Total alkalinity (eq/kg) = 1.444e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.234e-14 + Electrical balance (eq) = -3.901e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13809,22 +13747,21 @@ Reaction 1. Cl 2.509e-01 Cl- 2.509e-01 1.753e-01 -0.600 -0.756 -0.156 18.51 HCl 4.973e-09 6.360e-09 -8.303 -8.197 0.107 (0) -H(0) 4.282e-17 - H2 2.141e-17 2.268e-17 -16.669 -16.644 0.025 28.61 +H(0) 2.544e-17 + H2 1.272e-17 1.348e-17 -16.896 -16.870 0.025 28.61 Na 2.509e-01 Na+ 2.509e-01 1.850e-01 -0.600 -0.733 -0.132 -0.87 - NaOH 1.665e-18 1.764e-18 -17.779 -17.754 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.124 -59.099 0.025 30.40 + O2 0.000e+00 0.000e+00 -58.672 -58.647 0.025 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -13.77 -16.87 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.06 -1.49 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -55.75 -58.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13860,7 +13797,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.052 Adjusted to redox equilibrium + pe = -0.220 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25253 Density (g/cm³) = 1.00740 Volume (L) = 1.00747 @@ -13868,9 +13805,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.554e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.175e-18 + Total alkalinity (eq/kg) = -8.313e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-13 + Electrical balance (eq) = -1.437e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -13887,22 +13824,21 @@ Reaction 1. Cl 2.554e-01 Cl- 2.554e-01 1.781e-01 -0.593 -0.749 -0.156 18.51 HCl 5.032e-09 6.463e-09 -8.298 -8.190 0.109 (0) -H(0) 1.882e-17 - H2 9.410e-18 9.980e-18 -17.026 -17.001 0.026 28.61 +H(0) 4.073e-17 + H2 2.036e-17 2.160e-17 -16.691 -16.666 0.026 28.61 Na 2.554e-01 Na+ 2.554e-01 1.881e-01 -0.593 -0.726 -0.133 -0.86 - NaOH 1.690e-18 1.792e-18 -17.772 -17.747 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.411 -58.386 0.026 30.40 + O2 0.000e+00 0.000e+00 -59.082 -59.056 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.90 -17.00 -3.10 H2 + H2(g) -13.56 -16.67 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.04 -1.47 1.57 NaCl - O2(g) -55.49 -58.39 -2.89 O2 + O2(g) -56.16 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -13938,7 +13874,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.395 Adjusted to redox equilibrium + pe = -0.249 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25520 Density (g/cm³) = 1.00752 Volume (L) = 1.00753 @@ -13946,11 +13882,11 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.584e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.778e-17 + Total alkalinity (eq/kg) = 4.278e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.718e-12 + Electrical balance (eq) = -1.457e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -13965,22 +13901,21 @@ Reaction 1. Cl 2.584e-01 Cl- 2.584e-01 1.800e-01 -0.588 -0.745 -0.157 18.51 HCl 5.071e-09 6.532e-09 -8.295 -8.185 0.110 (0) -H(0) 9.140e-17 - H2 4.570e-17 4.850e-17 -16.340 -16.314 0.026 28.61 +H(0) 4.652e-17 + H2 2.326e-17 2.469e-17 -16.633 -16.608 0.026 28.61 Na 2.584e-01 Na+ 2.584e-01 1.902e-01 -0.588 -0.721 -0.133 -0.86 - NaOH 1.707e-18 1.811e-18 -17.768 -17.742 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.785 -59.759 0.026 30.40 + O2 0.000e+00 0.000e+00 -59.198 -59.173 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.21 -16.31 -3.10 H2 + H2(g) -13.51 -16.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.04 -1.47 1.57 NaCl - O2(g) -56.87 -59.76 -2.89 O2 + O2(g) -56.28 -59.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14016,7 +13951,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = -0.200 Adjusted to redox equilibrium + pe = -0.198 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 25882 Density (g/cm³) = 1.00768 Volume (L) = 1.00760 @@ -14024,9 +13959,9 @@ Reaction 1. Activity of water = 0.991 Ionic strength (mol/kgw) = 2.624e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.772e-17 + Total alkalinity (eq/kg) = 3.196e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.480e-13 + Electrical balance (eq) = -1.998e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -14043,22 +13978,21 @@ Reaction 1. Cl 2.624e-01 Cl- 2.624e-01 1.825e-01 -0.581 -0.739 -0.158 18.52 HCl 5.122e-09 6.624e-09 -8.291 -8.179 0.112 (0) -H(0) 3.717e-17 - H2 1.859e-17 1.974e-17 -16.731 -16.705 0.026 28.61 +H(0) 3.678e-17 + H2 1.839e-17 1.954e-17 -16.735 -16.709 0.026 28.61 Na 2.624e-01 Na+ 2.624e-01 1.930e-01 -0.581 -0.714 -0.133 -0.85 - NaOH 1.729e-18 1.837e-18 -17.762 -17.736 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.005 -58.979 0.026 30.40 + O2 0.000e+00 0.000e+00 -58.996 -58.969 0.026 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.61 -16.71 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.02 -1.45 1.57 NaCl - O2(g) -56.09 -58.98 -2.89 O2 + O2(g) -56.08 -58.97 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14094,7 +14028,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.977 Charge balance - pe = 0.018 Adjusted to redox equilibrium + pe = -0.366 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 27530 Density (g/cm³) = 1.00841 Volume (L) = 1.00793 @@ -14102,11 +14036,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.808e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.222e-17 + Total alkalinity (eq/kg) = 4.057e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.043e-13 + Electrical balance (eq) = -5.404e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14121,22 +14055,21 @@ Reaction 1. Cl 2.808e-01 Cl- 2.808e-01 1.939e-01 -0.552 -0.712 -0.161 18.53 HCl 5.353e-09 7.048e-09 -8.271 -8.152 0.119 (0) -H(0) 1.362e-17 - H2 6.811e-18 7.266e-18 -17.167 -17.139 0.028 28.61 +H(0) 7.960e-17 + H2 3.980e-17 4.246e-17 -16.400 -16.372 0.028 28.61 Na 2.808e-01 Na+ 2.808e-01 2.057e-01 -0.552 -0.687 -0.135 -0.83 - NaOH 1.832e-18 1.954e-18 -17.737 -17.709 0.028 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.139 -58.111 0.028 30.40 + O2 0.000e+00 0.000e+00 -59.672 -59.644 0.028 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.04 -17.14 -3.10 H2 + H2(g) -13.27 -16.37 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.97 -1.40 1.57 NaCl - O2(g) -55.22 -58.11 -2.89 O2 + O2(g) -56.75 -59.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14172,7 +14105,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.184 Adjusted to redox equilibrium + pe = -0.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 28175 Density (g/cm³) = 1.00869 Volume (L) = 1.00807 @@ -14180,11 +14113,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.880e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.130e-17 + Total alkalinity (eq/kg) = 5.839e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.524e-13 + Electrical balance (eq) = -4.776e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14199,22 +14132,21 @@ Reaction 1. Cl 2.880e-01 Cl- 2.880e-01 1.983e-01 -0.541 -0.703 -0.162 18.54 HCl 5.440e-09 7.214e-09 -8.264 -8.142 0.123 (0) -H(0) 3.440e-17 - H2 1.720e-17 1.838e-17 -16.765 -16.736 0.029 28.61 +H(0) 6.235e-17 + H2 3.117e-17 3.331e-17 -16.506 -16.477 0.029 28.61 Na 2.880e-01 Na+ 2.880e-01 2.108e-01 -0.541 -0.676 -0.136 -0.83 - NaOH 1.872e-18 2.001e-18 -17.728 -17.699 0.029 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.946 -58.917 0.029 30.40 + O2 0.000e+00 0.000e+00 -59.462 -59.434 0.029 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.63 -16.74 -3.10 H2 + H2(g) -13.38 -16.48 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.95 -1.38 1.57 NaCl - O2(g) -56.02 -58.92 -2.89 O2 + O2(g) -56.54 -59.43 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14250,7 +14182,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.371 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29168 Density (g/cm³) = 1.00914 Volume (L) = 1.00827 @@ -14258,11 +14190,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.593e-17 + Total alkalinity (eq/kg) = 2.166e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.573e-13 + Electrical balance (eq) = -4.357e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14277,22 +14209,21 @@ Reaction 1. Cl 2.992e-01 Cl- 2.992e-01 2.052e-01 -0.524 -0.688 -0.164 18.55 HCl 5.572e-09 7.470e-09 -8.254 -8.127 0.127 (0) -H(0) 8.139e-17 - H2 4.069e-17 4.360e-17 -16.390 -16.361 0.030 28.61 +H(0) 4.547e-17 + H2 2.274e-17 2.436e-17 -16.643 -16.613 0.030 28.61 Na 2.992e-01 Na+ 2.992e-01 2.185e-01 -0.524 -0.661 -0.136 -0.81 - NaOH 1.934e-18 2.072e-18 -17.714 -17.684 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.698 -59.668 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.192 -59.162 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.26 -16.36 -3.10 H2 + H2(g) -13.51 -16.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.78 -59.67 -2.89 O2 + O2(g) -56.27 -59.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14328,7 +14259,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.175 Adjusted to redox equilibrium + pe = -0.401 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29216 Density (g/cm³) = 1.00916 Volume (L) = 1.00828 @@ -14336,11 +14267,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.309e-18 + Total alkalinity (eq/kg) = 1.984e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.130e-09 + Electrical balance (eq) = -4.183e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14355,22 +14286,21 @@ Reaction 1. Cl 2.997e-01 Cl- 2.997e-01 2.055e-01 -0.523 -0.687 -0.164 18.55 HCl 5.578e-09 7.482e-09 -8.254 -8.126 0.128 (0) -H(0) 3.298e-17 - H2 1.649e-17 1.767e-17 -16.783 -16.753 0.030 28.61 +H(0) 9.344e-17 + H2 4.672e-17 5.006e-17 -16.330 -16.301 0.030 28.61 Na 2.997e-01 Na+ 2.997e-01 2.189e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.937e-18 2.075e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.913 -58.883 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.818 -59.788 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -55.99 -58.88 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14406,7 +14336,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.175 Adjusted to redox equilibrium + pe = -0.401 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29216 Density (g/cm³) = 1.00916 Volume (L) = 1.00828 @@ -14414,11 +14344,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.309e-18 + Total alkalinity (eq/kg) = 1.984e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.130e-09 + Electrical balance (eq) = -4.183e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14433,22 +14363,21 @@ Reaction 1. Cl 2.997e-01 Cl- 2.997e-01 2.055e-01 -0.523 -0.687 -0.164 18.55 HCl 5.578e-09 7.482e-09 -8.254 -8.126 0.128 (0) -H(0) 3.298e-17 - H2 1.649e-17 1.767e-17 -16.783 -16.753 0.030 28.61 +H(0) 9.344e-17 + H2 4.672e-17 5.006e-17 -16.330 -16.301 0.030 28.61 Na 2.997e-01 Na+ 2.997e-01 2.189e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.937e-18 2.075e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.913 -58.883 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.818 -59.788 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -55.99 -58.88 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14484,7 +14413,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.178 Adjusted to redox equilibrium + pe = -0.598 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29232 Density (g/cm³) = 1.00917 Volume (L) = 1.00828 @@ -14492,11 +14421,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.999e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.846e-18 + Total alkalinity (eq/kg) = 1.637e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.509e-13 + Electrical balance (eq) = -1.571e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14511,22 +14440,21 @@ Reaction 1. Cl 2.999e-01 Cl- 2.999e-01 2.056e-01 -0.523 -0.687 -0.164 18.55 HCl 5.580e-09 7.486e-09 -8.253 -8.126 0.128 (0) -H(0) 3.352e-17 - H2 1.676e-17 1.796e-17 -16.776 -16.746 0.030 28.61 +H(0) 2.315e-16 + H2 1.158e-16 1.240e-16 -15.936 -15.906 0.030 28.61 Na 2.999e-01 Na+ 2.999e-01 2.190e-01 -0.523 -0.660 -0.136 -0.81 - NaOH 1.938e-18 2.076e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.927 -58.897 0.030 30.40 + O2 0.000e+00 0.000e+00 -60.606 -60.576 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.64 -16.75 -3.10 H2 + H2(g) -12.81 -15.91 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.01 -58.90 -2.89 O2 + O2(g) -57.68 -60.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14562,7 +14490,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.237 Adjusted to redox equilibrium + pe = -0.374 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29241 Density (g/cm³) = 1.00917 Volume (L) = 1.00829 @@ -14570,11 +14498,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.973e-17 + Total alkalinity (eq/kg) = 5.787e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.280e-14 + Electrical balance (eq) = -1.077e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14589,22 +14517,21 @@ Reaction 1. Cl 3.000e-01 Cl- 3.000e-01 2.057e-01 -0.523 -0.687 -0.164 18.55 HCl 5.581e-09 7.488e-09 -8.253 -8.126 0.128 (0) -H(0) 4.405e-17 - H2 2.202e-17 2.360e-17 -16.657 -16.627 0.030 28.61 +H(0) 8.271e-17 + H2 4.136e-17 4.431e-17 -16.383 -16.353 0.030 28.61 Na 3.000e-01 Na+ 3.000e-01 2.191e-01 -0.523 -0.659 -0.136 -0.81 - NaOH 1.938e-18 2.077e-18 -17.713 -17.683 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.165 -59.135 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.712 -59.682 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.24 -59.13 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14640,7 +14567,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.406 Adjusted to redox equilibrium + pe = -0.113 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29264 Density (g/cm³) = 1.00918 Volume (L) = 1.00829 @@ -14648,11 +14575,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.003e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.566e-17 + Total alkalinity (eq/kg) = 2.398e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.218e-13 + Electrical balance (eq) = -4.237e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14667,22 +14594,21 @@ Reaction 1. Cl 3.003e-01 Cl- 3.003e-01 2.059e-01 -0.523 -0.686 -0.164 18.55 HCl 5.584e-09 7.494e-09 -8.253 -8.125 0.128 (0) -H(0) 9.583e-17 - H2 4.791e-17 5.134e-17 -16.320 -16.290 0.030 28.61 +H(0) 2.481e-17 + H2 1.240e-17 1.329e-17 -16.906 -16.876 0.030 28.61 Na 3.003e-01 Na+ 3.003e-01 2.193e-01 -0.523 -0.659 -0.137 -0.81 - NaOH 1.940e-18 2.079e-18 -17.712 -17.682 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.840 -59.810 0.030 30.40 + O2 0.000e+00 0.000e+00 -58.666 -58.636 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.78 -16.88 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.92 -1.35 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -55.74 -58.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14718,7 +14644,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.217 Adjusted to redox equilibrium + pe = -0.406 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29283 Density (g/cm³) = 1.00919 Volume (L) = 1.00830 @@ -14726,11 +14652,11 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.005e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.283e-17 + Total alkalinity (eq/kg) = 7.204e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.916e-13 + Electrical balance (eq) = -1.220e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -14745,22 +14671,21 @@ Reaction 1. Cl 3.005e-01 Cl- 3.005e-01 2.060e-01 -0.522 -0.686 -0.164 18.55 HCl 5.587e-09 7.499e-09 -8.253 -8.125 0.128 (0) -H(0) 4.004e-17 - H2 2.002e-17 2.145e-17 -16.699 -16.668 0.030 28.61 +H(0) 9.586e-17 + H2 4.793e-17 5.136e-17 -16.319 -16.289 0.030 28.61 Na 3.005e-01 Na+ 3.005e-01 2.194e-01 -0.522 -0.659 -0.137 -0.81 - NaOH 1.941e-18 2.080e-18 -17.712 -17.682 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.082 -59.052 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.840 -59.810 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.57 -16.67 -3.10 H2 + H2(g) -13.19 -16.29 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.91 -1.34 1.57 NaCl - O2(g) -56.16 -59.05 -2.89 O2 + O2(g) -56.92 -59.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14796,7 +14721,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.244 Adjusted to redox equilibrium + pe = -0.233 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29612 Density (g/cm³) = 1.00934 Volume (L) = 1.00836 @@ -14804,9 +14729,9 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 3.042e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.542e-17 + Total alkalinity (eq/kg) = 3.490e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.775e-13 + Electrical balance (eq) = -4.310e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -14823,22 +14748,21 @@ Reaction 1. Cl 3.042e-01 Cl- 3.042e-01 2.083e-01 -0.517 -0.681 -0.165 18.55 HCl 5.629e-09 7.584e-09 -8.250 -8.120 0.129 (0) -H(0) 4.544e-17 - H2 2.272e-17 2.437e-17 -16.644 -16.613 0.030 28.61 +H(0) 4.309e-17 + H2 2.154e-17 2.311e-17 -16.667 -16.636 0.030 28.61 Na 3.042e-01 Na+ 3.042e-01 2.220e-01 -0.517 -0.654 -0.137 -0.81 - NaOH 1.961e-18 2.104e-18 -17.707 -17.677 0.030 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.193 -59.163 0.030 30.40 + O2 0.000e+00 0.000e+00 -59.147 -59.117 0.030 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.54 -16.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.91 -1.34 1.57 NaCl - O2(g) -56.27 -59.16 -2.89 O2 + O2(g) -56.22 -59.12 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14874,7 +14798,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.976 Charge balance - pe = -0.635 Adjusted to redox equilibrium + pe = -0.050 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 30066 Density (g/cm³) = 1.00954 Volume (L) = 1.00846 @@ -14882,9 +14806,9 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.093e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.264e-17 + Total alkalinity (eq/kg) = -6.079e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.259e-13 + Electrical balance (eq) = -9.303e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -14901,22 +14825,21 @@ Reaction 1. Cl 3.093e-01 Cl- 3.093e-01 2.114e-01 -0.510 -0.675 -0.165 18.56 HCl 5.688e-09 7.702e-09 -8.245 -8.113 0.132 (0) -H(0) 2.747e-16 - H2 1.373e-16 1.475e-16 -15.862 -15.831 0.031 28.61 +H(0) 1.854e-17 + H2 9.269e-18 9.953e-18 -17.033 -17.002 0.031 28.61 Na 3.093e-01 Na+ 3.093e-01 2.256e-01 -0.510 -0.647 -0.137 -0.80 - NaOH 1.989e-18 2.136e-18 -17.701 -17.670 0.031 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.757 -60.727 0.031 30.40 + O2 0.000e+00 0.000e+00 -58.416 -58.385 0.031 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -13.90 -17.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.89 -1.32 1.57 NaCl - O2(g) -57.83 -60.73 -2.89 O2 + O2(g) -55.49 -58.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -14952,7 +14875,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.290 Adjusted to redox equilibrium + pe = -0.187 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 31004 Density (g/cm³) = 1.00996 Volume (L) = 1.00865 @@ -14960,9 +14883,9 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.200e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.177e-17 + Total alkalinity (eq/kg) = 1.486e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.413e-13 + Electrical balance (eq) = -6.223e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -14979,22 +14902,21 @@ Reaction 1. Cl 3.200e-01 Cl- 3.200e-01 2.179e-01 -0.495 -0.662 -0.167 18.56 HCl 5.806e-09 7.944e-09 -8.236 -8.100 0.136 (0) -H(0) 5.610e-17 - H2 2.805e-17 3.020e-17 -16.552 -16.520 0.032 28.61 +H(0) 3.481e-17 + H2 1.741e-17 1.874e-17 -16.759 -16.727 0.032 28.61 Na 3.200e-01 Na+ 3.200e-01 2.330e-01 -0.495 -0.633 -0.138 -0.79 - NaOH 2.047e-18 2.204e-18 -17.689 -17.657 0.032 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.381 -59.349 0.032 30.40 + O2 0.000e+00 0.000e+00 -58.967 -58.935 0.032 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.42 -16.52 -3.10 H2 + H2(g) -13.63 -16.73 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.86 -1.29 1.57 NaCl - O2(g) -56.46 -59.35 -2.89 O2 + O2(g) -56.04 -58.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15030,7 +14952,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.005 Adjusted to redox equilibrium + pe = -0.765 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 31824 Density (g/cm³) = 1.01033 Volume (L) = 1.00882 @@ -15038,11 +14960,11 @@ Reaction 1. Activity of water = 0.989 Ionic strength (mol/kgw) = 3.294e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.270e-18 + Total alkalinity (eq/kg) = 2.325e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.914e-13 + Electrical balance (eq) = -5.498e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15057,22 +14979,21 @@ Reaction 1. Cl 3.294e-01 Cl- 3.294e-01 2.236e-01 -0.482 -0.651 -0.168 18.57 HCl 5.906e-09 8.157e-09 -8.229 -8.088 0.140 (0) -H(0) 1.506e-17 - H2 7.532e-18 8.126e-18 -17.123 -17.090 0.033 28.61 +H(0) 4.975e-16 + H2 2.488e-16 2.684e-16 -15.604 -15.571 0.033 28.61 Na 3.294e-01 Na+ 3.294e-01 2.395e-01 -0.482 -0.621 -0.138 -0.78 - NaOH 2.098e-18 2.263e-18 -17.678 -17.645 0.033 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.242 -58.210 0.033 30.40 + O2 0.000e+00 0.000e+00 -61.280 -61.247 0.033 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.09 -3.10 H2 + H2(g) -12.47 -15.57 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -2.84 -1.27 1.57 NaCl - O2(g) -55.32 -58.21 -2.89 O2 + O2(g) -58.35 -61.25 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15108,7 +15029,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.253 Adjusted to redox equilibrium + pe = -0.066 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 32710 Density (g/cm³) = 1.01073 Volume (L) = 1.00901 @@ -15116,11 +15037,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.395e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.744e-17 + Total alkalinity (eq/kg) = -2.053e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.941e-14 + Electrical balance (eq) = -5.940e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15135,22 +15056,21 @@ Reaction 1. Cl 3.395e-01 Cl- 3.395e-01 2.298e-01 -0.469 -0.639 -0.170 18.58 HCl 6.013e-09 8.386e-09 -8.221 -8.076 0.144 (0) -H(0) 4.704e-17 - H2 2.352e-17 2.543e-17 -16.629 -16.595 0.034 28.61 +H(0) 1.990e-17 + H2 9.950e-18 1.076e-17 -17.002 -16.968 0.034 28.61 Na 3.395e-01 Na+ 3.395e-01 2.465e-01 -0.469 -0.608 -0.139 -0.77 - NaOH 2.152e-18 2.328e-18 -17.667 -17.633 0.034 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.235 -59.201 0.034 30.40 + O2 0.000e+00 0.000e+00 -58.488 -58.454 0.034 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.49 -16.59 -3.10 H2 + H2(g) -13.87 -16.97 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.82 -1.25 1.57 NaCl - O2(g) -56.31 -59.20 -2.89 O2 + O2(g) -55.56 -58.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15186,7 +15106,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.334 Adjusted to redox equilibrium + pe = -0.161 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33433 Density (g/cm³) = 1.01106 Volume (L) = 1.00916 @@ -15194,11 +15114,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.478e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.466e-17 + Total alkalinity (eq/kg) = 2.578e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.928e-13 + Electrical balance (eq) = -2.981e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15213,22 +15133,21 @@ Reaction 1. Cl 3.478e-01 Cl- 3.478e-01 2.348e-01 -0.459 -0.629 -0.171 18.59 HCl 6.098e-09 8.574e-09 -8.215 -8.067 0.148 (0) -H(0) 6.853e-17 - H2 3.426e-17 3.712e-17 -16.465 -16.430 0.035 28.61 +H(0) 3.087e-17 + H2 1.544e-17 1.672e-17 -16.811 -16.777 0.035 28.61 Na 3.478e-01 Na+ 3.478e-01 2.523e-01 -0.459 -0.598 -0.139 -0.76 - NaOH 2.197e-18 2.380e-18 -17.658 -17.623 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.564 -59.530 0.035 30.40 + O2 0.000e+00 0.000e+00 -58.872 -58.837 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.33 -16.43 -3.10 H2 + H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.80 -1.23 1.57 NaCl - O2(g) -56.64 -59.53 -2.89 O2 + O2(g) -55.94 -58.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15264,7 +15183,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -0.200 Adjusted to redox equilibrium + pe = -0.131 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33579 Density (g/cm³) = 1.01113 Volume (L) = 1.00920 @@ -15272,11 +15191,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.495e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.379e-17 + Total alkalinity (eq/kg) = 1.933e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.000e-15 + Electrical balance (eq) = -9.377e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15291,22 +15210,21 @@ Reaction 1. Cl 3.495e-01 Cl- 3.495e-01 2.358e-01 -0.457 -0.627 -0.171 18.59 HCl 6.115e-09 8.612e-09 -8.214 -8.065 0.149 (0) -H(0) 3.689e-17 - H2 1.844e-17 1.999e-17 -16.734 -16.699 0.035 28.61 +H(0) 2.690e-17 + H2 1.345e-17 1.458e-17 -16.871 -16.836 0.035 28.61 Na 3.495e-01 Na+ 3.495e-01 2.534e-01 -0.457 -0.596 -0.140 -0.76 - NaOH 2.206e-18 2.391e-18 -17.656 -17.621 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.027 -58.992 0.035 30.40 + O2 0.000e+00 0.000e+00 -58.753 -58.718 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.60 -16.70 -3.10 H2 + H2(g) -13.74 -16.84 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.79 -1.22 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.83 -58.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15342,7 +15260,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = 0.068 Adjusted to redox equilibrium + pe = -0.500 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 33762 Density (g/cm³) = 1.01121 Volume (L) = 1.00923 @@ -15350,11 +15268,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.516e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.130e-17 + Total alkalinity (eq/kg) = 6.818e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.198e-14 + Electrical balance (eq) = -9.965e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15369,22 +15287,21 @@ Reaction 1. Cl 3.516e-01 Cl- 3.516e-01 2.371e-01 -0.454 -0.625 -0.171 18.59 HCl 6.136e-09 8.660e-09 -8.212 -8.062 0.150 (0) -H(0) 1.074e-17 - H2 5.371e-18 5.824e-18 -17.270 -17.235 0.035 28.61 +H(0) 1.471e-16 + H2 7.354e-17 7.974e-17 -16.133 -16.098 0.035 28.61 Na 3.516e-01 Na+ 3.516e-01 2.549e-01 -0.454 -0.594 -0.140 -0.76 - NaOH 2.217e-18 2.404e-18 -17.654 -17.619 0.035 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.956 -57.921 0.035 30.40 + O2 0.000e+00 0.000e+00 -60.229 -60.194 0.035 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.13 -17.23 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.79 -1.22 1.57 NaCl - O2(g) -55.03 -57.92 -2.89 O2 + O2(g) -57.30 -60.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15420,7 +15337,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.228 Adjusted to redox equilibrium + pe = -0.222 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 34073 Density (g/cm³) = 1.01135 Volume (L) = 1.00930 @@ -15428,9 +15345,9 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.552e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.701e-17 + Total alkalinity (eq/kg) = 3.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.451e-13 + Electrical balance (eq) = -1.025e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -15447,22 +15364,21 @@ Reaction 1. Cl 3.552e-01 Cl- 3.552e-01 2.392e-01 -0.450 -0.621 -0.172 18.59 HCl 6.171e-09 8.741e-09 -8.210 -8.058 0.151 (0) -H(0) 4.188e-17 - H2 2.094e-17 2.273e-17 -16.679 -16.643 0.036 28.61 +H(0) 4.074e-17 + H2 2.037e-17 2.211e-17 -16.691 -16.655 0.036 28.61 Na 3.552e-01 Na+ 3.552e-01 2.574e-01 -0.450 -0.589 -0.140 -0.76 - NaOH 2.236e-18 2.427e-18 -17.650 -17.615 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.139 -59.104 0.036 30.40 + O2 0.000e+00 0.000e+00 -59.115 -59.080 0.036 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -13.55 -16.66 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.78 -1.21 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -56.19 -59.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15498,7 +15414,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.430 Adjusted to redox equilibrium + pe = -0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 34557 Density (g/cm³) = 1.01157 Volume (L) = 1.00940 @@ -15506,11 +15422,11 @@ Reaction 1. Activity of water = 0.988 Ionic strength (mol/kgw) = 3.608e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.800e-17 + Total alkalinity (eq/kg) = 3.419e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.017e-14 + Electrical balance (eq) = -9.818e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15525,22 +15441,21 @@ Reaction 1. Cl 3.608e-01 Cl- 3.608e-01 2.426e-01 -0.443 -0.615 -0.172 18.60 HCl 6.226e-09 8.867e-09 -8.206 -8.052 0.154 (0) -H(0) 1.060e-16 - H2 5.301e-17 5.760e-17 -16.276 -16.240 0.036 28.61 +H(0) 3.637e-17 + H2 1.818e-17 1.976e-17 -16.740 -16.704 0.036 28.61 Na 3.608e-01 Na+ 3.608e-01 2.613e-01 -0.443 -0.583 -0.140 -0.75 - NaOH 2.266e-18 2.462e-18 -17.645 -17.609 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.948 -59.912 0.036 30.40 + O2 0.000e+00 0.000e+00 -59.018 -58.982 0.036 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.77 -1.20 1.57 NaCl - O2(g) -57.02 -59.91 -2.89 O2 + O2(g) -56.09 -58.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15576,7 +15491,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.974 Charge balance - pe = -0.152 Adjusted to redox equilibrium + pe = -0.446 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37186 Density (g/cm³) = 1.01278 Volume (L) = 1.00997 @@ -15584,11 +15499,11 @@ Reaction 1. Activity of water = 0.987 Ionic strength (mol/kgw) = 3.914e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.649e-17 + Total alkalinity (eq/kg) = 7.944e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.862e-15 + Electrical balance (eq) = -6.231e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15603,22 +15518,21 @@ Reaction 1. Cl 3.914e-01 Cl- 3.914e-01 2.609e-01 -0.407 -0.583 -0.176 18.62 HCl 6.510e-09 9.554e-09 -8.186 -8.020 0.167 (0) -H(0) 2.939e-17 - H2 1.469e-17 1.608e-17 -16.833 -16.794 0.039 28.61 +H(0) 1.139e-16 + H2 5.696e-17 6.233e-17 -16.244 -16.205 0.039 28.61 Na 3.914e-01 Na+ 3.914e-01 2.826e-01 -0.407 -0.549 -0.141 -0.72 - NaOH 2.426e-18 2.655e-18 -17.615 -17.576 0.039 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.843 -58.804 0.039 30.40 + O2 0.000e+00 0.000e+00 -60.020 -59.981 0.039 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.69 -16.79 -3.10 H2 + H2(g) -13.10 -16.21 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.70 -1.13 1.57 NaCl - O2(g) -55.91 -58.80 -2.89 O2 + O2(g) -57.09 -59.98 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15654,7 +15568,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.352 Adjusted to redox equilibrium + pe = -0.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37890 Density (g/cm³) = 1.01310 Volume (L) = 1.01012 @@ -15662,11 +15576,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 3.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.380e-17 + Total alkalinity (eq/kg) = 6.018e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.427e-13 + Electrical balance (eq) = -5.074e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15681,22 +15595,21 @@ Reaction 1. Cl 3.997e-01 Cl- 3.997e-01 2.659e-01 -0.398 -0.575 -0.177 18.62 HCl 6.583e-09 9.739e-09 -8.182 -8.012 0.170 (0) -H(0) 7.399e-17 - H2 3.699e-17 4.056e-17 -16.432 -16.392 0.040 28.61 +H(0) 6.802e-17 + H2 3.401e-17 3.729e-17 -16.468 -16.428 0.040 28.61 Na 3.997e-01 Na+ 3.997e-01 2.883e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.469e-18 2.707e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.648 -59.608 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.575 -59.535 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.29 -16.39 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.69 -1.12 1.57 NaCl - O2(g) -56.72 -59.61 -2.89 O2 + O2(g) -56.64 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15732,7 +15645,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.352 Adjusted to redox equilibrium + pe = -0.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37890 Density (g/cm³) = 1.01310 Volume (L) = 1.01012 @@ -15740,11 +15653,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 3.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.380e-17 + Total alkalinity (eq/kg) = 6.018e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.427e-13 + Electrical balance (eq) = -5.074e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15759,22 +15672,21 @@ Reaction 1. Cl 3.997e-01 Cl- 3.997e-01 2.659e-01 -0.398 -0.575 -0.177 18.62 HCl 6.583e-09 9.739e-09 -8.182 -8.012 0.170 (0) -H(0) 7.399e-17 - H2 3.699e-17 4.056e-17 -16.432 -16.392 0.040 28.61 +H(0) 6.802e-17 + H2 3.401e-17 3.729e-17 -16.468 -16.428 0.040 28.61 Na 3.997e-01 Na+ 3.997e-01 2.883e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.469e-18 2.707e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.648 -59.608 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.575 -59.535 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.29 -16.39 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.69 -1.12 1.57 NaCl - O2(g) -56.72 -59.61 -2.89 O2 + O2(g) -56.64 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15810,7 +15722,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.276 Adjusted to redox equilibrium + pe = -0.190 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37919 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -15818,11 +15730,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.483e-17 + Total alkalinity (eq/kg) = 3.469e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.612e-15 + Electrical balance (eq) = -7.053e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15837,22 +15749,21 @@ Reaction 1. Cl 4.000e-01 Cl- 4.000e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.746e-09 -8.181 -8.011 0.170 (0) -H(0) 5.213e-17 - H2 2.607e-17 2.858e-17 -16.584 -16.544 0.040 28.61 +H(0) 3.495e-17 + H2 1.748e-17 1.916e-17 -16.758 -16.718 0.040 28.61 Na 4.000e-01 Na+ 4.000e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.471e-18 2.709e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.344 -59.304 0.040 30.40 + O2 0.000e+00 0.000e+00 -58.997 -58.957 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.44 -16.54 -3.10 H2 + H2(g) -13.62 -16.72 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.41 -59.30 -2.89 O2 + O2(g) -56.06 -58.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15888,7 +15799,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.187 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37927 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -15896,11 +15807,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.036e-17 + Total alkalinity (eq/kg) = 1.028e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.432e-14 + Electrical balance (eq) = -2.739e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15915,22 +15826,21 @@ Reaction 1. Cl 4.001e-01 Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.748e-09 -8.181 -8.011 0.170 (0) -H(0) 3.452e-17 - H2 1.726e-17 1.893e-17 -16.763 -16.723 0.040 28.61 +H(0) 8.062e-17 + H2 4.031e-17 4.420e-17 -16.395 -16.355 0.040 28.61 Na 4.001e-01 Na+ 4.001e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.472e-18 2.710e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.986 -58.946 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.723 -59.683 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.05 -58.95 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -15966,7 +15876,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.187 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37927 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -15974,11 +15884,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.001e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.036e-17 + Total alkalinity (eq/kg) = 1.028e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.432e-14 + Electrical balance (eq) = -2.739e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -15993,22 +15903,21 @@ Reaction 1. Cl 4.001e-01 Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.586e-09 9.748e-09 -8.181 -8.011 0.170 (0) -H(0) 3.452e-17 - H2 1.726e-17 1.893e-17 -16.763 -16.723 0.040 28.61 +H(0) 8.062e-17 + H2 4.031e-17 4.420e-17 -16.395 -16.355 0.040 28.61 Na 4.001e-01 Na+ 4.001e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.472e-18 2.710e-18 -17.607 -17.567 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.986 -58.946 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.723 -59.683 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.62 -16.72 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.05 -58.95 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16044,7 +15953,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.287 Adjusted to redox equilibrium + pe = -0.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38263 Density (g/cm³) = 1.01327 Volume (L) = 1.01020 @@ -16052,11 +15961,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.040e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.419e-17 + Total alkalinity (eq/kg) = 2.015e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.178e-12 + Electrical balance (eq) = -1.389e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16071,22 +15980,21 @@ Reaction 1. Cl 4.040e-01 Cl- 4.040e-01 2.685e-01 -0.394 -0.571 -0.178 18.63 HCl 6.620e-09 9.836e-09 -8.179 -8.007 0.172 (0) -H(0) 5.473e-17 - H2 2.736e-17 3.003e-17 -16.563 -16.522 0.040 28.61 +H(0) 8.040e-17 + H2 4.020e-17 4.412e-17 -16.396 -16.355 0.040 28.61 Na 4.040e-01 Na+ 4.040e-01 2.914e-01 -0.394 -0.535 -0.142 -0.71 - NaOH 2.492e-18 2.735e-18 -17.603 -17.563 0.040 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.388 -59.347 0.040 30.40 + O2 0.000e+00 0.000e+00 -59.722 -59.681 0.040 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.42 -16.52 -3.10 H2 + H2(g) -13.25 -16.36 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -56.45 -59.35 -2.89 O2 + O2(g) -56.79 -59.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16122,7 +16030,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.113 Adjusted to redox equilibrium + pe = -0.336 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38404 Density (g/cm³) = 1.01334 Volume (L) = 1.01023 @@ -16130,11 +16038,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.057e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.166e-17 + Total alkalinity (eq/kg) = 4.316e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.503e-12 + Electrical balance (eq) = -2.116e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16149,22 +16057,21 @@ Reaction 1. Cl 4.057e-01 Cl- 4.057e-01 2.694e-01 -0.392 -0.570 -0.178 18.63 HCl 6.634e-09 9.873e-09 -8.178 -8.006 0.173 (0) -H(0) 2.450e-17 - H2 1.225e-17 1.345e-17 -16.912 -16.871 0.041 28.61 +H(0) 6.847e-17 + H2 3.423e-17 3.759e-17 -16.466 -16.425 0.041 28.61 Na 4.057e-01 Na+ 4.057e-01 2.926e-01 -0.392 -0.534 -0.142 -0.71 - NaOH 2.501e-18 2.745e-18 -17.602 -17.561 0.041 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.690 -58.649 0.041 30.40 + O2 0.000e+00 0.000e+00 -59.583 -59.542 0.041 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.77 -16.87 -3.10 H2 + H2(g) -13.32 -16.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.67 -1.10 1.57 NaCl - O2(g) -55.76 -58.65 -2.89 O2 + O2(g) -56.65 -59.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16200,7 +16107,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.430 Adjusted to redox equilibrium + pe = -0.304 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 38518 Density (g/cm³) = 1.01339 Volume (L) = 1.01026 @@ -16208,11 +16115,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.070e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.391e-17 + Total alkalinity (eq/kg) = 4.914e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.112e-12 + Electrical balance (eq) = -5.323e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16227,22 +16134,21 @@ Reaction 1. Cl 4.070e-01 Cl- 4.070e-01 2.702e-01 -0.390 -0.568 -0.178 18.63 HCl 6.646e-09 9.903e-09 -8.177 -8.004 0.173 (0) -H(0) 1.057e-16 - H2 5.287e-17 5.806e-17 -16.277 -16.236 0.041 28.61 +H(0) 5.906e-17 + H2 2.953e-17 3.243e-17 -16.530 -16.489 0.041 28.61 Na 4.070e-01 Na+ 4.070e-01 2.935e-01 -0.390 -0.532 -0.142 -0.71 - NaOH 2.507e-18 2.754e-18 -17.601 -17.560 0.041 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.961 -59.920 0.041 30.40 + O2 0.000e+00 0.000e+00 -59.455 -59.414 0.041 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.39 -16.49 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.67 -1.10 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.52 -59.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16278,7 +16184,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.304 Adjusted to redox equilibrium + pe = -0.038 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39688 Density (g/cm³) = 1.01393 Volume (L) = 1.01052 @@ -16286,11 +16192,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.209e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.380e-17 + Total alkalinity (eq/kg) = 6.821e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.358e-12 + Electrical balance (eq) = -2.420e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16305,22 +16211,21 @@ Reaction 1. Cl 4.209e-01 Cl- 4.209e-01 2.784e-01 -0.376 -0.555 -0.179 18.64 HCl 6.760e-09 1.021e-08 -8.170 -7.991 0.179 (0) -H(0) 5.898e-17 - H2 2.949e-17 3.249e-17 -16.530 -16.488 0.042 28.61 +H(0) 1.732e-17 + H2 8.660e-18 9.541e-18 -17.062 -17.020 0.042 28.61 Na 4.209e-01 Na+ 4.209e-01 3.032e-01 -0.376 -0.518 -0.142 -0.70 - NaOH 2.579e-18 2.841e-18 -17.589 -17.547 0.042 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.458 -59.416 0.042 30.40 + O2 0.000e+00 0.000e+00 -58.394 -58.352 0.042 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.39 -16.49 -3.10 H2 + H2(g) -13.92 -17.02 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.64 -1.07 1.57 NaCl - O2(g) -56.52 -59.42 -2.89 O2 + O2(g) -55.46 -58.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16356,7 +16261,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance - pe = -0.382 Adjusted to redox equilibrium + pe = -0.328 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 39717 Density (g/cm³) = 1.01395 Volume (L) = 1.01052 @@ -16364,11 +16269,11 @@ Reaction 1. Activity of water = 0.986 Ionic strength (mol/kgw) = 4.212e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.831e-17 + Total alkalinity (eq/kg) = 6.134e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.521e-12 + Electrical balance (eq) = -1.997e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16383,22 +16288,21 @@ Reaction 1. Cl 4.212e-01 Cl- 4.212e-01 2.786e-01 -0.376 -0.555 -0.179 18.64 HCl 6.763e-09 1.022e-08 -8.170 -7.991 0.179 (0) -H(0) 8.477e-17 - H2 4.239e-17 4.670e-17 -16.373 -16.331 0.042 28.61 +H(0) 6.609e-17 + H2 3.304e-17 3.641e-17 -16.481 -16.439 0.042 28.61 Na 4.212e-01 Na+ 4.212e-01 3.034e-01 -0.376 -0.518 -0.142 -0.70 - NaOH 2.580e-18 2.843e-18 -17.588 -17.546 0.042 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.773 -59.731 0.042 30.40 + O2 0.000e+00 0.000e+00 -59.557 -59.515 0.042 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.23 -16.33 -3.10 H2 + H2(g) -13.34 -16.44 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.64 -1.07 1.57 NaCl - O2(g) -56.84 -59.73 -2.89 O2 + O2(g) -56.62 -59.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16434,7 +16338,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.296 Adjusted to redox equilibrium + pe = -0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41000 Density (g/cm³) = 1.01454 Volume (L) = 1.01081 @@ -16442,11 +16346,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.364e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.052e-17 + Total alkalinity (eq/kg) = 2.753e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.749e-13 + Electrical balance (eq) = -6.658e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16461,22 +16365,21 @@ Reaction 1. Cl 4.364e-01 Cl- 4.364e-01 2.876e-01 -0.360 -0.541 -0.181 18.65 HCl 6.884e-09 1.056e-08 -8.162 -7.976 0.186 (0) -H(0) 5.676e-17 - H2 2.838e-17 3.138e-17 -16.547 -16.503 0.044 28.61 +H(0) 8.972e-17 + H2 4.486e-17 4.960e-17 -16.348 -16.305 0.044 28.61 Na 4.364e-01 Na+ 4.364e-01 3.140e-01 -0.360 -0.503 -0.143 -0.68 - NaOH 2.658e-18 2.939e-18 -17.575 -17.532 0.044 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.430 -59.386 0.044 30.40 + O2 0.000e+00 0.000e+00 -59.828 -59.784 0.044 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -13.20 -16.30 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.61 -1.04 1.57 NaCl - O2(g) -56.49 -59.39 -2.89 O2 + O2(g) -56.89 -59.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16512,7 +16415,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.207 Adjusted to redox equilibrium + pe = -0.376 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41937 Density (g/cm³) = 1.01498 Volume (L) = 1.01101 @@ -16520,11 +16423,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.476e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.694e-17 + Total alkalinity (eq/kg) = 6.440e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.189e-12 + Electrical balance (eq) = -4.316e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16539,22 +16442,21 @@ Reaction 1. Cl 4.476e-01 Cl- 4.476e-01 2.942e-01 -0.349 -0.531 -0.182 18.66 HCl 6.969e-09 1.081e-08 -8.157 -7.966 0.190 (0) -H(0) 3.758e-17 - H2 1.879e-17 2.083e-17 -16.726 -16.681 0.045 28.61 +H(0) 8.186e-17 + H2 4.093e-17 4.538e-17 -16.388 -16.343 0.045 28.61 Na 4.476e-01 Na+ 4.476e-01 3.219e-01 -0.349 -0.492 -0.143 -0.67 - NaOH 2.715e-18 3.009e-18 -17.566 -17.522 0.045 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.075 -59.031 0.045 30.40 + O2 0.000e+00 0.000e+00 -59.752 -59.707 0.045 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.58 -16.68 -3.10 H2 + H2(g) -13.24 -16.34 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.59 -1.02 1.57 NaCl - O2(g) -56.14 -59.03 -2.89 O2 + O2(g) -56.81 -59.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16590,7 +16492,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = 0.085 Adjusted to redox equilibrium + pe = -0.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 41953 Density (g/cm³) = 1.01499 Volume (L) = 1.01102 @@ -16598,11 +16500,11 @@ Reaction 1. Activity of water = 0.985 Ionic strength (mol/kgw) = 4.478e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.700e-18 + Total alkalinity (eq/kg) = -1.051e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.670e-12 + Electrical balance (eq) = -1.698e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16617,22 +16519,21 @@ Reaction 1. Cl 4.478e-01 Cl- 4.478e-01 2.944e-01 -0.349 -0.531 -0.182 18.66 HCl 6.970e-09 1.081e-08 -8.157 -7.966 0.191 (0) -H(0) 9.804e-18 - H2 4.902e-18 5.434e-18 -17.310 -17.265 0.045 28.61 +H(0) 2.796e-17 + H2 1.398e-17 1.550e-17 -16.854 -16.810 0.045 28.61 Na 4.478e-01 Na+ 4.478e-01 3.220e-01 -0.349 -0.492 -0.143 -0.67 - NaOH 2.716e-18 3.011e-18 -17.566 -17.521 0.045 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.908 -57.864 0.045 30.40 + O2 0.000e+00 0.000e+00 -58.819 -58.774 0.045 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.16 -17.26 -3.10 H2 + H2(g) -13.71 -16.81 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.59 -1.02 1.57 NaCl - O2(g) -54.97 -57.86 -2.89 O2 + O2(g) -55.88 -58.77 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16668,7 +16569,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.972 Charge balance - pe = -0.371 Adjusted to redox equilibrium + pe = -0.276 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 43870 Density (g/cm³) = 1.01588 Volume (L) = 1.01145 @@ -16676,11 +16577,11 @@ Reaction 1. Activity of water = 0.984 Ionic strength (mol/kgw) = 4.708e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.597e-17 + Total alkalinity (eq/kg) = 3.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.396e-13 + Electrical balance (eq) = -1.727e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16695,22 +16596,21 @@ Reaction 1. Cl 4.708e-01 Cl- 4.708e-01 3.079e-01 -0.327 -0.512 -0.184 18.67 HCl 7.136e-09 1.132e-08 -8.147 -7.946 0.200 (0) -H(0) 7.984e-17 - H2 3.992e-17 4.449e-17 -16.399 -16.352 0.047 28.61 +H(0) 5.163e-17 + H2 2.582e-17 2.877e-17 -16.588 -16.541 0.047 28.61 Na 4.708e-01 Na+ 4.708e-01 3.382e-01 -0.327 -0.471 -0.144 -0.65 - NaOH 2.831e-18 3.156e-18 -17.548 -17.501 0.047 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.738 -59.691 0.047 30.40 + O2 0.000e+00 0.000e+00 -59.359 -59.312 0.047 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.25 -16.35 -3.10 H2 + H2(g) -13.44 -16.54 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.55 -0.98 1.57 NaCl - O2(g) -56.80 -59.69 -2.89 O2 + O2(g) -56.42 -59.31 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16746,7 +16646,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.122 Adjusted to redox equilibrium + pe = -0.337 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46044 Density (g/cm³) = 1.01691 Volume (L) = 1.01194 @@ -16754,9 +16654,9 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.342e-17 + Total alkalinity (eq/kg) = 6.291e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.105e-15 + Electrical balance (eq) = -4.630e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -16773,22 +16673,21 @@ Reaction 1. Cl 4.971e-01 Cl- 4.971e-01 3.233e-01 -0.304 -0.490 -0.187 18.69 HCl 7.311e-09 1.190e-08 -8.136 -7.924 0.212 (0) -H(0) 2.532e-17 - H2 1.266e-17 1.419e-17 -16.898 -16.848 0.050 28.61 +H(0) 6.805e-17 + H2 3.403e-17 3.815e-17 -16.468 -16.418 0.050 28.61 Na 4.971e-01 Na+ 4.971e-01 3.567e-01 -0.304 -0.448 -0.144 -0.63 - NaOH 2.962e-18 3.321e-18 -17.528 -17.479 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.749 -58.699 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.608 -59.558 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.75 -16.85 -3.10 H2 + H2(g) -13.32 -16.42 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.51 -0.94 1.57 NaCl - O2(g) -55.81 -58.70 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16824,7 +16723,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.340 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46238 Density (g/cm³) = 1.01700 Volume (L) = 1.01199 @@ -16832,11 +16731,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.995e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.785e-17 + Total alkalinity (eq/kg) = 3.136e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.010e-15 + Electrical balance (eq) = -3.831e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16851,22 +16750,21 @@ Reaction 1. Cl 4.995e-01 Cl- 4.995e-01 3.246e-01 -0.301 -0.489 -0.187 18.69 HCl 7.326e-09 1.195e-08 -8.135 -7.923 0.213 (0) -H(0) 6.910e-17 - H2 3.455e-17 3.876e-17 -16.462 -16.412 0.050 28.61 +H(0) 4.441e-17 + H2 2.220e-17 2.491e-17 -16.654 -16.604 0.050 28.61 Na 4.995e-01 Na+ 4.995e-01 3.584e-01 -0.301 -0.446 -0.144 -0.63 - NaOH 2.974e-18 3.336e-18 -17.527 -17.477 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.622 -59.572 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.238 -59.188 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.31 -16.41 -3.10 H2 + H2(g) -13.50 -16.60 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.68 -59.57 -2.89 O2 + O2(g) -56.30 -59.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16902,7 +16800,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.340 Adjusted to redox equilibrium + pe = -0.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46238 Density (g/cm³) = 1.01700 Volume (L) = 1.01199 @@ -16910,11 +16808,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.995e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.785e-17 + Total alkalinity (eq/kg) = 3.136e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.010e-15 + Electrical balance (eq) = -3.831e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -16929,22 +16827,21 @@ Reaction 1. Cl 4.995e-01 Cl- 4.995e-01 3.246e-01 -0.301 -0.489 -0.187 18.69 HCl 7.326e-09 1.195e-08 -8.135 -7.923 0.213 (0) -H(0) 6.910e-17 - H2 3.455e-17 3.876e-17 -16.462 -16.412 0.050 28.61 +H(0) 4.441e-17 + H2 2.220e-17 2.491e-17 -16.654 -16.604 0.050 28.61 Na 4.995e-01 Na+ 4.995e-01 3.584e-01 -0.301 -0.446 -0.144 -0.63 - NaOH 2.974e-18 3.336e-18 -17.527 -17.477 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.622 -59.572 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.238 -59.188 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.31 -16.41 -3.10 H2 + H2(g) -13.50 -16.60 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.68 -59.57 -2.89 O2 + O2(g) -56.30 -59.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -16980,7 +16877,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -16988,11 +16885,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17007,22 +16904,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17058,7 +16954,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17066,11 +16962,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17085,22 +16981,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17136,7 +17031,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17144,11 +17039,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17163,22 +17058,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17214,7 +17108,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17222,11 +17116,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17241,22 +17135,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17292,7 +17185,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.242 Adjusted to redox equilibrium + pe = -0.039 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 1.01200 @@ -17300,11 +17193,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.783e-17 + Total alkalinity (eq/kg) = 1.097e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.739e-16 + Electrical balance (eq) = -1.873e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17319,22 +17212,21 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.330e-09 1.196e-08 -8.135 -7.922 0.213 (0) -H(0) 4.385e-17 - H2 2.192e-17 2.460e-17 -16.659 -16.609 0.050 28.61 +H(0) 1.728e-17 + H2 8.639e-18 9.693e-18 -17.064 -17.014 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.976e-18 3.340e-18 -17.526 -17.476 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.227 -59.177 0.050 30.40 + O2 0.000e+00 0.000e+00 -58.418 -58.368 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.28 -59.18 -2.89 O2 + O2(g) -55.48 -58.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17370,7 +17262,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 0.031 Adjusted to redox equilibrium + pe = -0.212 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46381 Density (g/cm³) = 1.01707 Volume (L) = 1.01202 @@ -17378,11 +17270,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.012e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.098e-17 + Total alkalinity (eq/kg) = 3.470e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.251e-12 + Electrical balance (eq) = -3.071e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17397,22 +17289,21 @@ Reaction 1. Cl 5.012e-01 Cl- 5.012e-01 3.256e-01 -0.300 -0.487 -0.187 18.69 HCl 7.337e-09 1.199e-08 -8.134 -7.921 0.213 (0) -H(0) 1.247e-17 - H2 6.235e-18 6.997e-18 -17.205 -17.155 0.050 28.61 +H(0) 3.821e-17 + H2 1.911e-17 2.144e-17 -16.719 -16.669 0.050 28.61 Na 5.012e-01 Na+ 5.012e-01 3.596e-01 -0.300 -0.444 -0.144 -0.63 - NaOH 2.982e-18 3.347e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.135 -58.085 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.108 -59.058 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.05 -17.16 -3.10 H2 + H2(g) -13.57 -16.67 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -55.19 -58.08 -2.89 O2 + O2(g) -56.17 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17448,7 +17339,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.267 Adjusted to redox equilibrium + pe = -0.409 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46430 Density (g/cm³) = 1.01709 Volume (L) = 1.01203 @@ -17456,11 +17347,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.018e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.879e-17 + Total alkalinity (eq/kg) = 7.676e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.508e-13 + Electrical balance (eq) = -2.932e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17475,22 +17366,21 @@ Reaction 1. Cl 5.018e-01 Cl- 5.018e-01 3.260e-01 -0.299 -0.487 -0.187 18.69 HCl 7.341e-09 1.200e-08 -8.134 -7.921 0.214 (0) -H(0) 4.935e-17 - H2 2.468e-17 2.770e-17 -16.608 -16.558 0.050 28.61 +H(0) 9.482e-17 + H2 4.741e-17 5.322e-17 -16.324 -16.274 0.050 28.61 Na 5.018e-01 Na+ 5.018e-01 3.600e-01 -0.299 -0.444 -0.144 -0.63 - NaOH 2.985e-18 3.351e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.330 -59.280 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.897 -59.847 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.46 -16.56 -3.10 H2 + H2(g) -13.17 -16.27 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.39 -59.28 -2.89 O2 + O2(g) -56.95 -59.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17526,7 +17416,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.222 Adjusted to redox equilibrium + pe = -0.320 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46439 Density (g/cm³) = 1.01710 Volume (L) = 1.01203 @@ -17534,11 +17424,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.019e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.711e-17 + Total alkalinity (eq/kg) = 6.269e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.040e-16 + Electrical balance (eq) = -4.337e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17553,22 +17443,21 @@ Reaction 1. Cl 5.019e-01 Cl- 5.019e-01 3.260e-01 -0.299 -0.487 -0.187 18.69 HCl 7.342e-09 1.201e-08 -8.134 -7.921 0.214 (0) -H(0) 4.005e-17 - H2 2.002e-17 2.248e-17 -16.698 -16.648 0.050 28.61 +H(0) 6.299e-17 + H2 3.150e-17 3.535e-17 -16.502 -16.452 0.050 28.61 Na 5.019e-01 Na+ 5.019e-01 3.601e-01 -0.299 -0.444 -0.144 -0.63 - NaOH 2.986e-18 3.352e-18 -17.525 -17.475 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.149 -59.098 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.542 -59.492 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.55 -16.65 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -56.21 -59.10 -2.89 O2 + O2(g) -56.60 -59.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17604,7 +17493,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.098 Adjusted to redox equilibrium + pe = -0.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46529 Density (g/cm³) = 1.01714 Volume (L) = 1.01205 @@ -17612,11 +17501,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.030e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.225e-17 + Total alkalinity (eq/kg) = 6.061e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.097e-12 + Electrical balance (eq) = -6.297e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17631,22 +17520,21 @@ Reaction 1. Cl 5.030e-01 Cl- 5.030e-01 3.267e-01 -0.298 -0.486 -0.187 18.69 HCl 7.349e-09 1.203e-08 -8.134 -7.920 0.214 (0) -H(0) 2.260e-17 - H2 1.130e-17 1.269e-17 -16.947 -16.897 0.050 28.61 +H(0) 7.382e-17 + H2 3.691e-17 4.144e-17 -16.433 -16.383 0.050 28.61 Na 5.030e-01 Na+ 5.030e-01 3.609e-01 -0.298 -0.443 -0.144 -0.63 - NaOH 2.991e-18 3.358e-18 -17.524 -17.474 0.050 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.652 -58.602 0.050 30.40 + O2 0.000e+00 0.000e+00 -59.680 -59.630 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -13.28 -16.38 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -55.71 -58.60 -2.89 O2 + O2(g) -56.74 -59.63 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17682,7 +17570,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 0.002 Adjusted to redox equilibrium + pe = -0.166 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46775 Density (g/cm³) = 1.01726 Volume (L) = 1.01211 @@ -17690,11 +17578,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.060e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.142e-18 + Total alkalinity (eq/kg) = 2.948e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.186e-15 + Electrical balance (eq) = -9.056e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17709,22 +17597,21 @@ Reaction 1. Cl 5.060e-01 Cl- 5.060e-01 3.284e-01 -0.296 -0.484 -0.188 18.69 HCl 7.367e-09 1.210e-08 -8.133 -7.917 0.215 (0) -H(0) 1.430e-17 - H2 7.150e-18 8.033e-18 -17.146 -17.095 0.051 28.61 +H(0) 3.088e-17 + H2 1.544e-17 1.735e-17 -16.811 -16.761 0.051 28.61 Na 5.060e-01 Na+ 5.060e-01 3.630e-01 -0.296 -0.440 -0.144 -0.63 - NaOH 3.006e-18 3.377e-18 -17.522 -17.471 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.255 -58.205 0.051 30.40 + O2 0.000e+00 0.000e+00 -58.924 -58.874 0.051 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.10 -3.10 H2 + H2(g) -13.66 -16.76 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl - O2(g) -55.31 -58.20 -2.89 O2 + O2(g) -55.98 -58.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17760,7 +17647,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = -0.448 Adjusted to redox equilibrium + pe = -0.052 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46838 Density (g/cm³) = 1.01729 Volume (L) = 1.01212 @@ -17768,11 +17655,11 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 5.068e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.558e-17 + Total alkalinity (eq/kg) = -2.189e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.707e-12 + Electrical balance (eq) = -6.226e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17787,22 +17674,21 @@ Reaction 1. Cl 5.068e-01 Cl- 5.068e-01 3.289e-01 -0.295 -0.483 -0.188 18.69 HCl 7.372e-09 1.211e-08 -8.132 -7.917 0.216 (0) -H(0) 1.131e-16 - H2 5.655e-17 6.355e-17 -16.248 -16.197 0.051 28.61 +H(0) 1.832e-17 + H2 9.158e-18 1.029e-17 -17.038 -16.988 0.051 28.61 Na 5.068e-01 Na+ 5.068e-01 3.635e-01 -0.295 -0.439 -0.144 -0.63 - NaOH 3.010e-18 3.382e-18 -17.521 -17.471 0.051 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.052 -60.001 0.051 30.40 + O2 0.000e+00 0.000e+00 -58.471 -58.420 0.051 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.10 -16.20 -3.10 H2 + H2(g) -13.89 -16.99 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl - O2(g) -57.11 -60.00 -2.89 O2 + O2(g) -55.53 -58.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17838,7 +17724,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = -0.165 Adjusted to redox equilibrium + pe = -0.195 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 48626 Density (g/cm³) = 1.01813 Volume (L) = 1.01253 @@ -17846,11 +17732,11 @@ Reaction 1. Activity of water = 0.982 Ionic strength (mol/kgw) = 5.287e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.477e-17 + Total alkalinity (eq/kg) = -3.483e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.290e-15 + Electrical balance (eq) = -7.369e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -17865,22 +17751,21 @@ Reaction 1. Cl 5.287e-01 Cl- 5.287e-01 3.416e-01 -0.277 -0.466 -0.190 18.71 HCl 7.503e-09 1.260e-08 -8.125 -7.900 0.225 (0) -H(0) 3.077e-17 - H2 1.538e-17 1.738e-17 -16.813 -16.760 0.053 28.61 +H(0) 3.528e-17 + H2 1.764e-17 1.993e-17 -16.753 -16.701 0.053 28.61 Na 5.287e-01 Na+ 5.287e-01 3.791e-01 -0.277 -0.421 -0.144 -0.61 - NaOH 3.117e-18 3.520e-18 -17.506 -17.453 0.053 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.928 -58.876 0.053 30.40 + O2 0.000e+00 0.000e+00 -59.047 -58.995 0.053 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.66 -16.76 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.46 -0.89 1.57 NaCl - O2(g) -55.98 -58.88 -2.89 O2 + O2(g) -56.10 -58.99 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17916,7 +17801,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = -0.436 Adjusted to redox equilibrium + pe = -0.437 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 51278 Density (g/cm³) = 1.01940 Volume (L) = 1.01315 @@ -17924,9 +17809,9 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 5.614e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.055e-16 + Total alkalinity (eq/kg) = 3.317e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.875e-11 + Electrical balance (eq) = -4.777e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 @@ -17943,22 +17828,21 @@ Reaction 1. Cl 5.614e-01 Cl- 5.614e-01 3.606e-01 -0.251 -0.443 -0.192 18.73 HCl 7.680e-09 1.331e-08 -8.115 -7.876 0.239 (0) -H(0) 1.066e-16 - H2 5.331e-17 6.067e-17 -16.273 -16.217 0.056 28.61 +H(0) 1.071e-16 + H2 5.357e-17 6.096e-17 -16.271 -16.215 0.056 28.61 Na 5.614e-01 Na+ 5.614e-01 4.024e-01 -0.251 -0.395 -0.145 -0.58 - NaOH 3.275e-18 3.727e-18 -17.485 -17.429 0.056 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.019 -59.963 0.056 30.40 + O2 0.000e+00 0.000e+00 -60.023 -59.967 0.056 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.12 -16.22 -3.10 H2 + H2(g) -13.11 -16.21 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.41 -0.84 1.57 NaCl - O2(g) -57.07 -59.96 -2.89 O2 + O2(g) -57.07 -59.97 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17994,7 +17878,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.970 Charge balance - pe = 1.020 Adjusted to redox equilibrium + pe = -0.210 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 51868 Density (g/cm³) = 1.01969 Volume (L) = 1.01329 @@ -18002,11 +17886,11 @@ Reaction 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 5.687e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.876e-17 + Total alkalinity (eq/kg) = -1.702e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.510e-10 + Electrical balance (eq) = -3.338e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18021,22 +17905,21 @@ Reaction 1. Cl 5.687e-01 Cl- 5.687e-01 3.648e-01 -0.245 -0.438 -0.193 18.73 HCl 7.717e-09 1.347e-08 -8.113 -7.870 0.242 (0) -H(0) 1.303e-19 - H2 6.513e-20 7.425e-20 -19.186 -19.129 0.057 28.61 +H(0) 3.750e-17 + H2 1.875e-17 2.137e-17 -16.727 -16.670 0.057 28.61 Na 5.687e-01 Na+ 5.687e-01 4.076e-01 -0.245 -0.390 -0.145 -0.58 - NaOH 3.310e-18 3.774e-18 -17.480 -17.423 0.057 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.195 -54.138 0.057 30.40 + O2 0.000e+00 0.000e+00 -59.114 -59.057 0.057 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -16.03 -19.13 -3.10 H2 + H2(g) -13.57 -16.67 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.40 -0.83 1.57 NaCl - O2(g) -51.25 -54.14 -2.89 O2 + O2(g) -56.16 -59.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18072,7 +17955,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.396 Adjusted to redox equilibrium + pe = -0.256 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54345 Density (g/cm³) = 1.02088 Volume (L) = 1.01388 @@ -18080,11 +17963,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 5.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.940e-17 + Total alkalinity (eq/kg) = 4.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.027e-11 + Electrical balance (eq) = -1.245e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18099,22 +17982,21 @@ Reaction 1. Cl 5.997e-01 Cl- 5.997e-01 3.826e-01 -0.222 -0.417 -0.195 18.75 HCl 7.863e-09 1.415e-08 -8.104 -7.849 0.255 (0) -H(0) 8.805e-17 - H2 4.403e-17 5.055e-17 -16.356 -16.296 0.060 28.61 +H(0) 4.617e-17 + H2 2.308e-17 2.650e-17 -16.637 -16.577 0.060 28.61 Na 5.997e-01 Na+ 5.997e-01 4.298e-01 -0.222 -0.367 -0.145 -0.56 - NaOH 3.458e-18 3.970e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.865 -59.805 0.060 30.40 + O2 0.000e+00 0.000e+00 -59.304 -59.244 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.91 -59.81 -2.89 O2 + O2(g) -56.35 -59.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18150,7 +18032,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.396 Adjusted to redox equilibrium + pe = -0.256 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54345 Density (g/cm³) = 1.02088 Volume (L) = 1.01388 @@ -18158,11 +18040,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 5.997e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.940e-17 + Total alkalinity (eq/kg) = 4.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.027e-11 + Electrical balance (eq) = -1.245e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18177,22 +18059,21 @@ Reaction 1. Cl 5.997e-01 Cl- 5.997e-01 3.826e-01 -0.222 -0.417 -0.195 18.75 HCl 7.863e-09 1.415e-08 -8.104 -7.849 0.255 (0) -H(0) 8.805e-17 - H2 4.403e-17 5.055e-17 -16.356 -16.296 0.060 28.61 +H(0) 4.617e-17 + H2 2.308e-17 2.650e-17 -16.637 -16.577 0.060 28.61 Na 5.997e-01 Na+ 5.997e-01 4.298e-01 -0.222 -0.367 -0.145 -0.56 - NaOH 3.458e-18 3.970e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.865 -59.805 0.060 30.40 + O2 0.000e+00 0.000e+00 -59.304 -59.244 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.91 -59.81 -2.89 O2 + O2(g) -56.35 -59.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18228,7 +18109,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.022 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54368 Density (g/cm³) = 1.02089 Volume (L) = 1.01388 @@ -18236,11 +18117,11 @@ Reaction 1. Activity of water = 0.980 Ionic strength (mol/kgw) = 6.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.964e-17 + Total alkalinity (eq/kg) = 1.014e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.279e-11 + Electrical balance (eq) = -6.595e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18255,22 +18136,21 @@ Reaction 1. Cl 6.000e-01 Cl- 6.000e-01 3.828e-01 -0.222 -0.417 -0.195 18.75 HCl 7.864e-09 1.416e-08 -8.104 -7.849 0.255 (0) -H(0) 5.086e-17 - H2 2.543e-17 2.920e-17 -16.595 -16.535 0.060 28.61 +H(0) 1.572e-17 + H2 7.859e-18 9.023e-18 -17.105 -17.045 0.060 28.61 Na 6.000e-01 Na+ 6.000e-01 4.300e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.459e-18 3.972e-18 -17.461 -17.401 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.389 -59.329 0.060 30.40 + O2 0.000e+00 0.000e+00 -58.369 -58.309 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.43 -16.53 -3.10 H2 + H2(g) -13.94 -17.04 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.35 -0.78 1.57 NaCl - O2(g) -56.44 -59.33 -2.89 O2 + O2(g) -55.42 -58.31 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18306,7 +18186,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.357 Adjusted to redox equilibrium + pe = -0.269 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58345 Density (g/cm³) = 1.02283 Volume (L) = 1.01484 @@ -18314,11 +18194,11 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.504e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.500e-17 + Total alkalinity (eq/kg) = 4.486e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.528e-11 + Electrical balance (eq) = -1.770e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18333,22 +18213,21 @@ Reaction 1. Cl 6.504e-01 Cl- 6.504e-01 4.117e-01 -0.187 -0.385 -0.199 18.78 HCl 8.066e-09 1.526e-08 -8.093 -7.817 0.277 (0) -H(0) 7.313e-17 - H2 3.656e-17 4.247e-17 -16.437 -16.372 0.065 28.61 +H(0) 4.873e-17 + H2 2.437e-17 2.830e-17 -16.613 -16.548 0.065 28.61 Na 6.504e-01 Na+ 6.504e-01 4.665e-01 -0.187 -0.331 -0.144 -0.52 - NaOH 3.695e-18 4.292e-18 -17.432 -17.367 0.065 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.721 -59.656 0.065 30.40 + O2 0.000e+00 0.000e+00 -59.368 -59.303 0.065 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.27 -16.37 -3.10 H2 + H2(g) -13.45 -16.55 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.29 -0.72 1.57 NaCl - O2(g) -56.76 -59.66 -2.89 O2 + O2(g) -56.41 -59.30 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18384,7 +18263,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = 0.070 Adjusted to redox equilibrium + pe = -0.290 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 58471 Density (g/cm³) = 1.02289 Volume (L) = 1.01487 @@ -18392,11 +18271,11 @@ Reaction 1. Activity of water = 0.978 Ionic strength (mol/kgw) = 6.520e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.798e-18 + Total alkalinity (eq/kg) = 3.537e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.983e-12 + Electrical balance (eq) = -1.278e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18411,22 +18290,21 @@ Reaction 1. Cl 6.520e-01 Cl- 6.520e-01 4.126e-01 -0.186 -0.384 -0.199 18.78 HCl 8.072e-09 1.529e-08 -8.093 -7.816 0.277 (0) -H(0) 1.022e-17 - H2 5.112e-18 5.940e-18 -17.291 -17.226 0.065 28.61 +H(0) 5.372e-17 + H2 2.686e-17 3.121e-17 -16.571 -16.506 0.065 28.61 Na 6.520e-01 Na+ 6.520e-01 4.677e-01 -0.186 -0.330 -0.144 -0.52 - NaOH 3.702e-18 4.302e-18 -17.432 -17.366 0.065 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.012 -57.947 0.065 30.40 + O2 0.000e+00 0.000e+00 -59.453 -59.388 0.065 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.13 -17.23 -3.10 H2 + H2(g) -13.40 -16.51 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.28 -0.71 1.57 NaCl - O2(g) -55.05 -57.95 -2.89 O2 + O2(g) -56.50 -59.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18462,7 +18340,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.344 Adjusted to redox equilibrium + pe = 0.546 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 60928 Density (g/cm³) = 1.02410 Volume (L) = 1.01547 @@ -18470,11 +18348,11 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.835e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.843e-17 + Total alkalinity (eq/kg) = -2.055e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.663e-15 + Electrical balance (eq) = -7.172e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 35 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18489,22 +18367,21 @@ Reaction 1. Cl 6.835e-01 Cl- 6.835e-01 4.306e-01 -0.165 -0.366 -0.201 18.80 HCl 8.177e-09 1.598e-08 -8.087 -7.796 0.291 (0) -H(0) 6.847e-17 - H2 3.423e-17 4.007e-17 -16.466 -16.397 0.068 28.61 +H(0) 1.138e-18 + H2 5.689e-19 6.659e-19 -18.245 -18.177 0.068 28.61 Na 6.835e-01 Na+ 6.835e-01 4.907e-01 -0.165 -0.309 -0.144 -0.50 - NaOH 3.847e-18 4.503e-18 -17.415 -17.346 0.068 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.674 -59.606 0.068 30.40 + O2 0.000e+00 0.000e+00 -56.116 -56.047 0.068 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.30 -16.40 -3.10 H2 + H2(g) -15.08 -18.18 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.25 -0.68 1.57 NaCl - O2(g) -56.71 -59.61 -2.89 O2 + O2(g) -53.15 -56.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18540,7 +18417,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = -0.258 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 61342 Density (g/cm³) = 1.02431 Volume (L) = 1.01558 @@ -18548,9 +18425,9 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.889e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.270e-17 + Total alkalinity (eq/kg) = 3.084e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.720e-11 + Electrical balance (eq) = -1.144e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -18567,22 +18444,21 @@ Reaction 1. Cl 6.889e-01 Cl- 6.889e-01 4.336e-01 -0.162 -0.363 -0.201 18.80 HCl 8.194e-09 1.609e-08 -8.087 -7.793 0.293 (0) -H(0) 5.524e-17 - H2 2.762e-17 3.237e-17 -16.559 -16.490 0.069 28.61 +H(0) 4.600e-17 + H2 2.300e-17 2.695e-17 -16.638 -16.569 0.069 28.61 Na 6.889e-01 Na+ 6.889e-01 4.946e-01 -0.162 -0.306 -0.144 -0.49 - NaOH 3.872e-18 4.537e-18 -17.412 -17.343 0.069 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.490 -59.421 0.069 30.40 + O2 0.000e+00 0.000e+00 -59.331 -59.262 0.069 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.39 -16.49 -3.10 H2 + H2(g) -13.47 -16.57 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.24 -0.67 1.57 NaCl - O2(g) -56.53 -59.42 -2.89 O2 + O2(g) -56.37 -59.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18618,7 +18494,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.103 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62135 Density (g/cm³) = 1.02470 Volume (L) = 1.01577 @@ -18626,11 +18502,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 6.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.579e-18 + Total alkalinity (eq/kg) = -5.953e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.459e-10 + Electrical balance (eq) = -6.554e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18645,22 +18521,21 @@ Reaction 1. Cl 6.992e-01 Cl- 6.992e-01 4.395e-01 -0.155 -0.357 -0.202 18.80 HCl 8.224e-09 1.632e-08 -8.085 -7.787 0.298 (0) -H(0) 2.247e-17 - H2 1.124e-17 1.320e-17 -16.949 -16.879 0.070 28.61 +H(0) 2.377e-17 + H2 1.188e-17 1.396e-17 -16.925 -16.855 0.070 28.61 Na 6.992e-01 Na+ 6.992e-01 5.021e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.919e-18 4.603e-18 -17.407 -17.337 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.712 -58.642 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.691 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.75 -16.86 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -55.75 -58.64 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18696,7 +18571,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.103 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62135 Density (g/cm³) = 1.02470 Volume (L) = 1.01577 @@ -18704,11 +18579,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 6.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.579e-18 + Total alkalinity (eq/kg) = -5.953e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.459e-10 + Electrical balance (eq) = -6.554e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18723,22 +18598,21 @@ Reaction 1. Cl 6.992e-01 Cl- 6.992e-01 4.395e-01 -0.155 -0.357 -0.202 18.80 HCl 8.224e-09 1.632e-08 -8.085 -7.787 0.298 (0) -H(0) 2.247e-17 - H2 1.124e-17 1.320e-17 -16.949 -16.879 0.070 28.61 +H(0) 2.377e-17 + H2 1.188e-17 1.396e-17 -16.925 -16.855 0.070 28.61 Na 6.992e-01 Na+ 6.992e-01 5.021e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.919e-18 4.603e-18 -17.407 -17.337 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.712 -58.642 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.761 -58.691 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.78 -16.88 -3.10 H2 + H2(g) -13.75 -16.86 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -55.75 -58.64 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18774,7 +18648,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.288 Adjusted to redox equilibrium + pe = -0.115 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62199 Density (g/cm³) = 1.02473 Volume (L) = 1.01579 @@ -18782,11 +18656,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.390e-17 + Total alkalinity (eq/kg) = -2.657e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.256e-09 + Electrical balance (eq) = -2.991e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18801,22 +18675,21 @@ Reaction 1. Cl 7.000e-01 Cl- 7.000e-01 4.399e-01 -0.155 -0.357 -0.202 18.80 HCl 8.226e-09 1.634e-08 -8.085 -7.787 0.298 (0) -H(0) 5.271e-17 - H2 2.636e-17 3.097e-17 -16.579 -16.509 0.070 28.61 +H(0) 2.382e-17 + H2 1.191e-17 1.400e-17 -16.924 -16.854 0.070 28.61 Na 7.000e-01 Na+ 7.000e-01 5.027e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.922e-18 4.608e-18 -17.406 -17.336 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.453 -59.383 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.763 -58.693 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.41 -16.51 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl - O2(g) -56.49 -59.38 -2.89 O2 + O2(g) -55.80 -58.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18852,7 +18725,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.268 Adjusted to redox equilibrium + pe = -0.146 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62377 Density (g/cm³) = 1.02482 Volume (L) = 1.01583 @@ -18860,11 +18733,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.023e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.641e-17 + Total alkalinity (eq/kg) = 2.714e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.367e-11 + Electrical balance (eq) = -4.043e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18879,22 +18752,21 @@ Reaction 1. Cl 7.023e-01 Cl- 7.023e-01 4.412e-01 -0.153 -0.355 -0.202 18.80 HCl 8.233e-09 1.639e-08 -8.084 -7.786 0.299 (0) -H(0) 4.802e-17 - H2 2.401e-17 2.823e-17 -16.620 -16.549 0.070 28.61 +H(0) 2.736e-17 + H2 1.368e-17 1.608e-17 -16.864 -16.794 0.070 28.61 Na 7.023e-01 Na+ 7.023e-01 5.044e-01 -0.153 -0.297 -0.144 -0.48 - NaOH 3.933e-18 4.623e-18 -17.405 -17.335 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.372 -59.302 0.070 30.40 + O2 0.000e+00 0.000e+00 -58.884 -58.813 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.45 -16.55 -3.10 H2 + H2(g) -13.69 -16.79 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -56.41 -59.30 -2.89 O2 + O2(g) -55.92 -58.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -18930,7 +18802,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.332 Adjusted to redox equilibrium + pe = -0.477 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62552 Density (g/cm³) = 1.02491 Volume (L) = 1.01588 @@ -18938,11 +18810,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.046e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.547e-17 + Total alkalinity (eq/kg) = 1.597e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.907e-10 + Electrical balance (eq) = -7.597e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -18957,22 +18829,21 @@ Reaction 1. Cl 7.046e-01 Cl- 7.046e-01 4.425e-01 -0.152 -0.354 -0.202 18.81 HCl 8.239e-09 1.644e-08 -8.084 -7.784 0.300 (0) -H(0) 6.461e-17 - H2 3.231e-17 3.800e-17 -16.491 -16.420 0.070 28.61 +H(0) 1.259e-16 + H2 6.293e-17 7.401e-17 -16.201 -16.131 0.070 28.61 Na 7.046e-01 Na+ 7.046e-01 5.061e-01 -0.152 -0.296 -0.144 -0.48 - NaOH 3.943e-18 4.638e-18 -17.404 -17.334 0.070 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.631 -59.561 0.070 30.40 + O2 0.000e+00 0.000e+00 -60.210 -60.140 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.32 -16.42 -3.10 H2 + H2(g) -13.03 -16.13 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -56.67 -59.56 -2.89 O2 + O2(g) -57.25 -60.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19008,7 +18879,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.601 Adjusted to redox equilibrium + pe = -0.338 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62731 Density (g/cm³) = 1.02500 Volume (L) = 1.01592 @@ -19016,11 +18887,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.069e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.842e-17 + Total alkalinity (eq/kg) = 6.424e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.528e-09 + Electrical balance (eq) = -9.345e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19035,22 +18906,21 @@ Reaction 1. Cl 7.069e-01 Cl- 7.069e-01 4.439e-01 -0.151 -0.353 -0.202 18.81 HCl 8.246e-09 1.649e-08 -8.084 -7.783 0.301 (0) -H(0) 2.231e-16 - H2 1.116e-16 1.313e-16 -15.952 -15.882 0.071 28.61 +H(0) 6.626e-17 + H2 3.313e-17 3.898e-17 -16.480 -16.409 0.071 28.61 Na 7.069e-01 Na+ 7.069e-01 5.078e-01 -0.151 -0.294 -0.144 -0.48 - NaOH 3.954e-18 4.653e-18 -17.403 -17.332 0.071 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.708 -60.638 0.071 30.40 + O2 0.000e+00 0.000e+00 -59.654 -59.583 0.071 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -13.31 -16.41 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.22 -0.65 1.57 NaCl - O2(g) -57.75 -60.64 -2.89 O2 + O2(g) -56.69 -59.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19086,7 +18956,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.818 Adjusted to redox equilibrium + pe = -0.133 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 63721 Density (g/cm³) = 1.02549 Volume (L) = 1.01617 @@ -19094,11 +18964,11 @@ Reaction 1. Activity of water = 0.976 Ionic strength (mol/kgw) = 7.198e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.513e-17 + Total alkalinity (eq/kg) = -5.496e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.468e-15 + Electrical balance (eq) = -1.736e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 53 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19113,22 +18983,21 @@ Reaction 1. Cl 7.198e-01 Cl- 7.198e-01 4.512e-01 -0.143 -0.346 -0.203 18.81 HCl 8.281e-09 1.677e-08 -8.082 -7.776 0.306 (0) -H(0) 6.033e-16 - H2 3.016e-16 3.560e-16 -15.521 -15.449 0.072 28.61 +H(0) 2.574e-17 + H2 1.287e-17 1.519e-17 -16.890 -16.818 0.072 28.61 Na 7.198e-01 Na+ 7.198e-01 5.173e-01 -0.143 -0.286 -0.143 -0.47 - NaOH 4.012e-18 4.735e-18 -17.397 -17.325 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.576 -61.504 0.072 30.40 + O2 0.000e+00 0.000e+00 -58.837 -58.765 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.35 -15.45 -3.10 H2 + H2(g) -13.72 -16.82 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -58.61 -61.50 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19164,7 +19033,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = 0.038 Adjusted to redox equilibrium + pe = -0.375 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 64074 Density (g/cm³) = 1.02566 Volume (L) = 1.01626 @@ -19172,11 +19041,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 7.244e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.382e-17 + Total alkalinity (eq/kg) = 3.744e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.942e-16 + Electrical balance (eq) = -2.769e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 20 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19191,22 +19060,21 @@ Reaction 1. Cl 7.244e-01 Cl- 7.244e-01 4.538e-01 -0.140 -0.343 -0.203 18.82 HCl 8.293e-09 1.687e-08 -8.081 -7.773 0.308 (0) -H(0) 1.173e-17 - H2 5.864e-18 6.928e-18 -17.232 -17.159 0.072 28.61 +H(0) 7.856e-17 + H2 3.928e-17 4.641e-17 -16.406 -16.333 0.072 28.61 Na 7.244e-01 Na+ 7.244e-01 5.207e-01 -0.140 -0.283 -0.143 -0.47 - NaOH 4.033e-18 4.765e-18 -17.394 -17.322 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.155 -58.083 0.072 30.40 + O2 0.000e+00 0.000e+00 -59.807 -59.735 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.06 -17.16 -3.10 H2 + H2(g) -13.23 -16.33 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -55.19 -58.08 -2.89 O2 + O2(g) -56.84 -59.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19242,7 +19110,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = -0.412 Adjusted to redox equilibrium + pe = 0.197 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 64094 Density (g/cm³) = 1.02567 Volume (L) = 1.01626 @@ -19250,11 +19118,11 @@ Reaction 1. Activity of water = 0.975 Ionic strength (mol/kgw) = 7.247e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.275e-17 + Total alkalinity (eq/kg) = -8.650e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.894e-13 + Electrical balance (eq) = -6.792e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19269,22 +19137,21 @@ Reaction 1. Cl 7.247e-01 Cl- 7.247e-01 4.539e-01 -0.140 -0.343 -0.203 18.82 HCl 8.293e-09 1.687e-08 -8.081 -7.773 0.308 (0) -H(0) 9.321e-17 - H2 4.660e-17 5.507e-17 -16.332 -16.259 0.072 28.61 +H(0) 5.622e-18 + H2 2.811e-18 3.322e-18 -17.551 -17.479 0.072 28.61 Na 7.247e-01 Na+ 7.247e-01 5.209e-01 -0.140 -0.283 -0.143 -0.47 - NaOH 4.034e-18 4.767e-18 -17.394 -17.322 0.072 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.956 -59.883 0.072 30.40 + O2 0.000e+00 0.000e+00 -57.517 -57.444 0.072 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.16 -16.26 -3.10 H2 + H2(g) -14.38 -17.48 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.20 -0.63 1.57 NaCl - O2(g) -56.99 -59.88 -2.89 O2 + O2(g) -54.55 -57.44 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19320,7 +19187,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = -0.393 Adjusted to redox equilibrium + pe = -0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69762 Density (g/cm³) = 1.02852 Volume (L) = 1.01770 @@ -19328,11 +19195,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.996e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.272e-17 + Total alkalinity (eq/kg) = 4.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.420e-15 + Electrical balance (eq) = -5.293e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19347,22 +19214,21 @@ Reaction 1. Cl 7.996e-01 Cl- 7.996e-01 4.963e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.849e-08 -8.073 -7.733 0.340 (0) -H(0) 8.440e-17 - H2 4.220e-17 5.073e-17 -16.375 -16.295 0.080 28.61 +H(0) 5.855e-17 + H2 2.928e-17 3.520e-17 -16.533 -16.454 0.080 28.61 Na 7.996e-01 Na+ 7.996e-01 5.767e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.367e-18 5.249e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.894 -59.814 0.080 30.40 + O2 0.000e+00 0.000e+00 -59.577 -59.497 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.60 -59.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19398,7 +19264,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = -0.393 Adjusted to redox equilibrium + pe = -0.314 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69762 Density (g/cm³) = 1.02852 Volume (L) = 1.01770 @@ -19406,11 +19272,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 7.996e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.272e-17 + Total alkalinity (eq/kg) = 4.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.420e-15 + Electrical balance (eq) = -5.293e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19425,22 +19291,21 @@ Reaction 1. Cl 7.996e-01 Cl- 7.996e-01 4.963e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.849e-08 -8.073 -7.733 0.340 (0) -H(0) 8.440e-17 - H2 4.220e-17 5.073e-17 -16.375 -16.295 0.080 28.61 +H(0) 5.855e-17 + H2 2.928e-17 3.520e-17 -16.533 -16.454 0.080 28.61 Na 7.996e-01 Na+ 7.996e-01 5.767e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.367e-18 5.249e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.894 -59.814 0.080 30.40 + O2 0.000e+00 0.000e+00 -59.577 -59.497 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.19 -16.29 -3.10 H2 + H2(g) -13.35 -16.45 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.60 -59.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19476,7 +19341,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 0.246 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69794 Density (g/cm³) = 1.02854 Volume (L) = 1.01771 @@ -19484,11 +19349,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.492e-17 + Total alkalinity (eq/kg) = 8.765e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.625e-10 + Electrical balance (eq) = -1.595e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19503,22 +19368,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.965e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.850e-08 -8.073 -7.733 0.340 (0) -H(0) 4.435e-18 - H2 2.217e-18 2.666e-18 -17.654 -17.574 0.080 28.61 +H(0) 1.559e-15 + H2 7.794e-16 9.370e-16 -15.108 -15.028 0.080 28.61 Na 8.000e-01 Na+ 8.000e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.369e-18 5.252e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.336 -57.256 0.080 30.40 + O2 0.000e+00 0.000e+00 -62.427 -62.347 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.47 -17.57 -3.10 H2 + H2(g) -11.93 -15.03 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -54.36 -57.26 -2.89 O2 + O2(g) -59.46 -62.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19554,7 +19418,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.966 Charge balance - pe = 0.246 Adjusted to redox equilibrium + pe = -1.027 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69794 Density (g/cm³) = 1.02854 Volume (L) = 1.01771 @@ -19562,11 +19426,11 @@ Reaction 1. Activity of water = 0.973 Ionic strength (mol/kgw) = 8.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.492e-17 + Total alkalinity (eq/kg) = 8.765e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.625e-10 + Electrical balance (eq) = -1.595e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 37 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19581,22 +19445,21 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.965e-01 -0.097 -0.304 -0.207 18.85 HCl 8.448e-09 1.850e-08 -8.073 -7.733 0.340 (0) -H(0) 4.435e-18 - H2 2.217e-18 2.666e-18 -17.654 -17.574 0.080 28.61 +H(0) 1.559e-15 + H2 7.794e-16 9.370e-16 -15.108 -15.028 0.080 28.61 Na 8.000e-01 Na+ 8.000e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.369e-18 5.252e-18 -17.360 -17.280 0.080 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.336 -57.256 0.080 30.40 + O2 0.000e+00 0.000e+00 -62.427 -62.347 0.080 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.47 -17.57 -3.10 H2 + H2(g) -11.93 -15.03 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.11 -0.54 1.57 NaCl - O2(g) -54.36 -57.26 -2.89 O2 + O2(g) -59.46 -62.35 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19632,7 +19495,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.298 Adjusted to redox equilibrium + pe = -0.701 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 73788 Density (g/cm³) = 1.03057 Volume (L) = 1.01875 @@ -19640,11 +19503,11 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.538e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.960e-17 + Total alkalinity (eq/kg) = 5.035e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.644e-09 + Electrical balance (eq) = -1.098e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19659,22 +19522,21 @@ Reaction 1. Cl 8.538e-01 Cl- 8.538e-01 5.268e-01 -0.069 -0.278 -0.210 18.88 HCl 8.519e-09 1.967e-08 -8.070 -7.706 0.363 (0) -H(0) 5.383e-17 - H2 2.691e-17 3.276e-17 -16.570 -16.485 0.085 28.61 +H(0) 3.451e-16 + H2 1.726e-16 2.100e-16 -15.763 -15.678 0.085 28.61 Na 8.538e-01 Na+ 8.538e-01 6.178e-01 -0.069 -0.209 -0.141 -0.39 - NaOH 4.602e-18 5.602e-18 -17.337 -17.252 0.085 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.522 -59.436 0.085 30.40 + O2 0.000e+00 0.000e+00 -61.136 -61.050 0.085 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.38 -16.48 -3.10 H2 + H2(g) -12.58 -15.68 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.06 -0.49 1.57 NaCl - O2(g) -56.54 -59.44 -2.89 O2 + O2(g) -58.16 -61.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19710,7 +19572,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.223 Adjusted to redox equilibrium + pe = -0.378 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 74506 Density (g/cm³) = 1.03094 Volume (L) = 1.01894 @@ -19718,11 +19580,11 @@ Reaction 1. Activity of water = 0.971 Ionic strength (mol/kgw) = 8.636e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.265e-17 + Total alkalinity (eq/kg) = 6.283e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.104e-14 + Electrical balance (eq) = -9.442e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19737,22 +19599,21 @@ Reaction 1. Cl 8.636e-01 Cl- 8.636e-01 5.323e-01 -0.064 -0.274 -0.210 18.88 HCl 8.528e-09 1.988e-08 -8.069 -7.702 0.368 (0) -H(0) 3.806e-17 - H2 1.903e-17 2.322e-17 -16.721 -16.634 0.086 28.61 +H(0) 7.779e-17 + H2 3.889e-17 4.745e-17 -16.410 -16.324 0.086 28.61 Na 8.636e-01 Na+ 8.636e-01 6.252e-01 -0.064 -0.204 -0.140 -0.38 - NaOH 4.644e-18 5.666e-18 -17.333 -17.247 0.086 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.224 -59.137 0.086 30.40 + O2 0.000e+00 0.000e+00 -59.845 -59.758 0.086 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -13.22 -16.32 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.05 -0.48 1.57 NaCl - O2(g) -56.25 -59.14 -2.89 O2 + O2(g) -56.87 -59.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19788,7 +19649,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = -0.418 Adjusted to redox equilibrium + pe = -0.462 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 75276 Density (g/cm³) = 1.03134 Volume (L) = 1.01915 @@ -19796,11 +19657,11 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 8.741e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.998e-17 + Total alkalinity (eq/kg) = 1.053e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.593e-09 + Electrical balance (eq) = -3.730e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 46 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19815,22 +19676,21 @@ Reaction 1. Cl 8.741e-01 Cl- 8.741e-01 5.382e-01 -0.058 -0.269 -0.211 18.89 HCl 8.537e-09 2.011e-08 -8.069 -7.697 0.372 (0) -H(0) 9.341e-17 - H2 4.671e-17 5.712e-17 -16.331 -16.243 0.087 28.61 +H(0) 1.141e-16 + H2 5.705e-17 6.977e-17 -16.244 -16.156 0.087 28.61 Na 8.741e-01 Na+ 8.741e-01 6.333e-01 -0.058 -0.198 -0.140 -0.38 - NaOH 4.689e-18 5.735e-18 -17.329 -17.241 0.087 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.007 -59.920 0.087 30.40 + O2 0.000e+00 0.000e+00 -60.181 -60.094 0.087 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.14 -16.24 -3.10 H2 + H2(g) -13.06 -16.16 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.04 -0.47 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -57.20 -60.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19866,7 +19726,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.612 Adjusted to redox equilibrium + pe = -0.503 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77164 Density (g/cm³) = 1.03231 Volume (L) = 1.01965 @@ -19874,11 +19734,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.000e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.304e-16 + Total alkalinity (eq/kg) = 4.304e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.187e-10 + Electrical balance (eq) = -1.387e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19893,22 +19753,21 @@ Reaction 1. Cl 9.000e-01 Cl- 9.000e-01 5.527e-01 -0.046 -0.257 -0.212 18.90 HCl 8.555e-09 2.067e-08 -8.068 -7.685 0.383 (0) -H(0) 2.271e-16 - H2 1.136e-16 1.397e-16 -15.945 -15.855 0.090 28.61 +H(0) 1.373e-16 + H2 6.867e-17 8.449e-17 -16.163 -16.073 0.090 28.61 Na 9.000e-01 Na+ 9.000e-01 6.532e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 4.799e-18 5.905e-18 -17.319 -17.229 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.787 -60.697 0.090 30.40 + O2 0.000e+00 0.000e+00 -60.351 -60.261 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.75 -15.85 -3.10 H2 + H2(g) -12.97 -16.07 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -57.81 -60.70 -2.89 O2 + O2(g) -57.37 -60.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -19944,7 +19803,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.070 Adjusted to redox equilibrium + pe = 0.330 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77254 Density (g/cm³) = 1.03236 Volume (L) = 1.01967 @@ -19952,11 +19811,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.660e-17 + Total alkalinity (eq/kg) = -1.241e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.024e-10 + Electrical balance (eq) = -2.443e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -19971,22 +19830,21 @@ Reaction 1. Cl 9.013e-01 Cl- 9.012e-01 5.534e-01 -0.045 -0.257 -0.212 18.90 HCl 8.556e-09 2.069e-08 -8.068 -7.684 0.384 (0) -H(0) 1.870e-17 - H2 9.351e-18 1.151e-17 -17.029 -16.939 0.090 28.61 +H(0) 2.969e-18 + H2 1.484e-18 1.827e-18 -17.828 -17.738 0.090 28.61 Na 9.013e-01 Na+ 9.013e-01 6.541e-01 -0.045 -0.184 -0.139 -0.36 - NaOH 4.805e-18 5.913e-18 -17.318 -17.228 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.619 -58.529 0.090 30.40 + O2 0.000e+00 0.000e+00 -57.020 -56.930 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.84 -16.94 -3.10 H2 + H2(g) -14.64 -17.74 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -55.64 -58.53 -2.89 O2 + O2(g) -54.04 -56.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20022,7 +19880,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.070 Adjusted to redox equilibrium + pe = 0.330 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 77254 Density (g/cm³) = 1.03236 Volume (L) = 1.01967 @@ -20030,11 +19888,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.013e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.660e-17 + Total alkalinity (eq/kg) = -1.241e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.024e-10 + Electrical balance (eq) = -2.443e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20049,22 +19907,21 @@ Reaction 1. Cl 9.013e-01 Cl- 9.012e-01 5.534e-01 -0.045 -0.257 -0.212 18.90 HCl 8.556e-09 2.069e-08 -8.068 -7.684 0.384 (0) -H(0) 1.870e-17 - H2 9.351e-18 1.151e-17 -17.029 -16.939 0.090 28.61 +H(0) 2.969e-18 + H2 1.484e-18 1.827e-18 -17.828 -17.738 0.090 28.61 Na 9.013e-01 Na+ 9.013e-01 6.541e-01 -0.045 -0.184 -0.139 -0.36 - NaOH 4.805e-18 5.913e-18 -17.318 -17.228 0.090 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.619 -58.529 0.090 30.40 + O2 0.000e+00 0.000e+00 -57.020 -56.930 0.090 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.84 -16.94 -3.10 H2 + H2(g) -14.64 -17.74 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -2.01 -0.44 1.57 NaCl - O2(g) -55.64 -58.53 -2.89 O2 + O2(g) -54.04 -56.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20100,7 +19957,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.422 Adjusted to redox equilibrium + pe = -0.307 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 78669 Density (g/cm³) = 1.03310 Volume (L) = 1.02005 @@ -20108,11 +19965,11 @@ Reaction 1. Activity of water = 0.969 Ionic strength (mol/kgw) = 9.208e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.183e-17 + Total alkalinity (eq/kg) = 3.608e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.396e-09 + Electrical balance (eq) = -3.813e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 45 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20127,22 +19984,21 @@ Reaction 1. Cl 9.208e-01 Cl- 9.208e-01 5.644e-01 -0.036 -0.248 -0.213 18.91 HCl 8.565e-09 2.112e-08 -8.067 -7.675 0.392 (0) -H(0) 9.427e-17 - H2 4.713e-17 5.826e-17 -16.327 -16.235 0.092 28.61 +H(0) 5.551e-17 + H2 2.776e-17 3.431e-17 -16.557 -16.465 0.092 28.61 Na 9.208e-01 Na+ 9.208e-01 6.692e-01 -0.036 -0.174 -0.139 -0.35 - NaOH 4.887e-18 6.041e-18 -17.311 -17.219 0.092 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.031 -59.938 0.092 30.40 + O2 0.000e+00 0.000e+00 -59.571 -59.478 0.092 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.13 -16.23 -3.10 H2 + H2(g) -13.36 -16.46 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.99 -0.42 1.57 NaCl - O2(g) -57.05 -59.94 -2.89 O2 + O2(g) -56.59 -59.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20178,7 +20034,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.964 Charge balance - pe = -0.485 Adjusted to redox equilibrium + pe = -0.107 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 81742 Density (g/cm³) = 1.03470 Volume (L) = 1.02089 @@ -20186,11 +20042,11 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.636e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.469e-17 + Total alkalinity (eq/kg) = -1.120e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.261e-10 + Electrical balance (eq) = -5.669e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20205,22 +20061,21 @@ Reaction 1. Cl 9.636e-01 Cl- 9.636e-01 5.883e-01 -0.016 -0.230 -0.214 18.93 HCl 8.573e-09 2.204e-08 -8.067 -7.657 0.410 (0) -H(0) 1.251e-16 - H2 6.257e-17 7.811e-17 -16.204 -16.107 0.096 28.61 +H(0) 2.196e-17 + H2 1.098e-17 1.371e-17 -16.959 -16.863 0.096 28.61 Na 9.636e-01 Na+ 9.636e-01 7.026e-01 -0.016 -0.153 -0.137 -0.33 - NaOH 5.066e-18 6.325e-18 -17.295 -17.199 0.096 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.291 -60.194 0.096 30.40 + O2 0.000e+00 0.000e+00 -58.779 -58.683 0.096 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.01 -16.11 -3.10 H2 + H2(g) -13.76 -16.86 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.95 -0.38 1.57 NaCl - O2(g) -57.30 -60.19 -2.89 O2 + O2(g) -55.79 -58.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20256,7 +20111,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.354 Adjusted to redox equilibrium + pe = -0.572 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 82954 Density (g/cm³) = 1.03534 Volume (L) = 1.02123 @@ -20264,11 +20119,11 @@ Reaction 1. Activity of water = 0.967 Ionic strength (mol/kgw) = 9.807e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.803e-17 + Total alkalinity (eq/kg) = 1.717e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.019e-13 + Electrical balance (eq) = -6.381e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20283,22 +20138,21 @@ Reaction 1. Cl 9.807e-01 Cl- 9.807e-01 5.979e-01 -0.008 -0.223 -0.215 18.94 HCl 8.572e-09 2.241e-08 -8.067 -7.650 0.417 (0) -H(0) 6.815e-17 - H2 3.408e-17 4.271e-17 -16.468 -16.369 0.098 28.61 +H(0) 1.865e-16 + H2 9.324e-17 1.169e-16 -16.030 -15.932 0.098 28.61 Na 9.807e-01 Na+ 9.807e-01 7.160e-01 -0.008 -0.145 -0.137 -0.32 - NaOH 5.137e-18 6.438e-18 -17.289 -17.191 0.098 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.769 -59.671 0.098 30.40 + O2 0.000e+00 0.000e+00 -60.643 -60.545 0.098 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.27 -16.37 -3.10 H2 + H2(g) -12.83 -15.93 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.94 -0.37 1.57 NaCl - O2(g) -56.78 -59.67 -2.89 O2 + O2(g) -57.65 -60.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20334,7 +20188,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.446 Adjusted to redox equilibrium + pe = -0.186 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 83365 Density (g/cm³) = 1.03556 Volume (L) = 1.02134 @@ -20342,11 +20196,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.865e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.025e-16 + Total alkalinity (eq/kg) = 7.812e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.096e-11 + Electrical balance (eq) = -2.607e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 40 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20361,22 +20215,21 @@ Reaction 1. Cl 9.865e-01 Cl- 9.865e-01 6.011e-01 -0.006 -0.221 -0.215 18.94 HCl 8.571e-09 2.254e-08 -8.067 -7.647 0.420 (0) -H(0) 1.042e-16 - H2 5.209e-17 6.538e-17 -16.283 -16.185 0.099 28.61 +H(0) 3.148e-17 + H2 1.574e-17 1.975e-17 -16.803 -16.704 0.099 28.61 Na 9.865e-01 Na+ 9.865e-01 7.206e-01 -0.006 -0.142 -0.136 -0.31 - NaOH 5.161e-18 6.477e-18 -17.287 -17.189 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.139 -60.040 0.099 30.40 + O2 0.000e+00 0.000e+00 -59.099 -59.001 0.099 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -57.15 -60.04 -2.89 O2 + O2(g) -56.11 -59.00 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20412,7 +20265,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.184 Adjusted to redox equilibrium + pe = -0.059 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 83946 Density (g/cm³) = 1.03586 Volume (L) = 1.02150 @@ -20420,9 +20273,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.947e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.088e-17 + Total alkalinity (eq/kg) = -7.589e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.774e-11 + Electrical balance (eq) = -4.233e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -20439,22 +20292,21 @@ Reaction 1. Cl 9.947e-01 Cl- 9.947e-01 6.057e-01 -0.002 -0.218 -0.215 18.94 HCl 8.569e-09 2.271e-08 -8.067 -7.644 0.423 (0) -H(0) 3.118e-17 - H2 1.559e-17 1.961e-17 -16.807 -16.708 0.099 28.61 +H(0) 1.752e-17 + H2 8.762e-18 1.102e-17 -17.057 -16.958 0.099 28.61 Na 9.947e-01 Na+ 9.947e-01 7.271e-01 -0.002 -0.138 -0.136 -0.31 - NaOH 5.194e-18 6.531e-18 -17.284 -17.185 0.099 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.094 -58.995 0.099 30.40 + O2 0.000e+00 0.000e+00 -58.594 -58.494 0.099 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.61 -16.71 -3.10 H2 + H2(g) -13.86 -16.96 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -56.10 -58.99 -2.89 O2 + O2(g) -55.60 -58.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20490,7 +20342,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.384 Adjusted to redox equilibrium + pe = 0.010 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84006 Density (g/cm³) = 1.03590 Volume (L) = 1.02152 @@ -20498,9 +20350,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.956e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.935e-17 + Total alkalinity (eq/kg) = -1.976e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.348e-14 + Electrical balance (eq) = -3.221e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -20517,22 +20369,21 @@ Reaction 1. Cl 9.956e-01 Cl- 9.956e-01 6.062e-01 -0.002 -0.217 -0.215 18.94 HCl 8.569e-09 2.273e-08 -8.067 -7.643 0.424 (0) -H(0) 7.836e-17 - H2 3.918e-17 4.927e-17 -16.407 -16.307 0.100 28.61 +H(0) 1.277e-17 + H2 6.385e-18 8.031e-18 -17.195 -17.095 0.100 28.61 Na 9.956e-01 Na+ 9.956e-01 7.278e-01 -0.002 -0.138 -0.136 -0.31 - NaOH 5.198e-18 6.537e-18 -17.284 -17.185 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.895 -59.795 0.100 30.40 + O2 0.000e+00 0.000e+00 -58.319 -58.219 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.21 -16.31 -3.10 H2 + H2(g) -13.99 -17.10 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O Halite -1.93 -0.36 1.57 NaCl - O2(g) -56.90 -59.80 -2.89 O2 + O2(g) -55.33 -58.22 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20568,7 +20419,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.233 Adjusted to redox equilibrium + pe = 0.042 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84262 Density (g/cm³) = 1.03603 Volume (L) = 1.02159 @@ -20576,9 +20427,9 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 9.992e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.990e-17 + Total alkalinity (eq/kg) = -2.453e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.342e-11 + Electrical balance (eq) = -5.692e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -20595,22 +20446,21 @@ Reaction 1. Cl 9.992e-01 Cl- 9.992e-01 6.082e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.281e-08 -8.067 -7.642 0.425 (0) -H(0) 3.907e-17 - H2 1.954e-17 2.459e-17 -16.709 -16.609 0.100 28.61 +H(0) 1.098e-17 + H2 5.492e-18 6.913e-18 -17.260 -17.160 0.100 28.61 Na 9.992e-01 Na+ 9.992e-01 7.306e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 5.213e-18 6.561e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.291 -59.192 0.100 30.40 + O2 0.000e+00 0.000e+00 -58.189 -58.089 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.51 -16.61 -3.10 H2 + H2(g) -14.06 -17.16 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.30 -59.19 -2.89 O2 + O2(g) -55.20 -58.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20646,7 +20496,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20654,11 +20504,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20673,22 +20523,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20724,7 +20573,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20732,11 +20581,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20751,22 +20600,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20802,7 +20650,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20810,11 +20658,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20829,22 +20677,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20880,7 +20727,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20888,11 +20735,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20907,22 +20754,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -20958,7 +20804,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -20966,11 +20812,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -20985,22 +20831,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21036,7 +20881,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.431 Adjusted to redox equilibrium + pe = -0.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -21044,11 +20889,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.710e-17 + Total alkalinity (eq/kg) = 4.935e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.894e-12 + Electrical balance (eq) = -3.747e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21063,22 +20908,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.642 0.426 (0) -H(0) 9.715e-17 - H2 4.857e-17 6.115e-17 -16.314 -16.214 0.100 28.61 +H(0) 4.602e-16 + H2 2.301e-16 2.897e-16 -15.638 -15.538 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.216e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.083 -59.983 0.100 30.40 + O2 0.000e+00 0.000e+00 -61.434 -61.334 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.11 -16.21 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -57.09 -59.98 -2.89 O2 + O2(g) -58.44 -61.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21114,7 +20958,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.224 Adjusted to redox equilibrium + pe = 0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84325 Density (g/cm³) = 1.03606 Volume (L) = 1.02161 @@ -21122,11 +20966,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.016e-17 + Total alkalinity (eq/kg) = -1.487e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.497e-11 + Electrical balance (eq) = -5.628e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21141,22 +20985,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.641 0.426 (0) -H(0) 3.741e-17 - H2 1.871e-17 2.355e-17 -16.728 -16.628 0.100 28.61 +H(0) 2.165e-18 + H2 1.082e-18 1.363e-18 -17.966 -17.866 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.217e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.254 -59.154 0.100 30.40 + O2 0.000e+00 0.000e+00 -56.779 -56.679 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -14.76 -17.87 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.26 -59.15 -2.89 O2 + O2(g) -53.79 -56.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21192,7 +21035,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.224 Adjusted to redox equilibrium + pe = 0.395 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84325 Density (g/cm³) = 1.03606 Volume (L) = 1.02161 @@ -21200,11 +21043,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.016e-17 + Total alkalinity (eq/kg) = -1.487e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.497e-11 + Electrical balance (eq) = -5.628e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21219,22 +21062,21 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 HCl 8.568e-09 2.283e-08 -8.067 -7.641 0.426 (0) -H(0) 3.741e-17 - H2 1.871e-17 2.355e-17 -16.728 -16.628 0.100 28.61 +H(0) 2.165e-18 + H2 1.082e-18 1.363e-18 -17.966 -17.866 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.217e-18 6.567e-18 -17.283 -17.183 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.254 -59.154 0.100 30.40 + O2 0.000e+00 0.000e+00 -56.779 -56.679 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.53 -16.63 -3.10 H2 + H2(g) -14.76 -17.87 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.26 -59.15 -2.89 O2 + O2(g) -53.79 -56.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21270,7 +21112,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.324 Adjusted to redox equilibrium + pe = -0.343 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84403 Density (g/cm³) = 1.03610 Volume (L) = 1.02163 @@ -21278,11 +21120,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.001e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.644e-17 + Total alkalinity (eq/kg) = -6.222e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.254e-11 + Electrical balance (eq) = -9.427e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21297,22 +21139,21 @@ Reaction 1. Cl 1.001e+00 Cl- 1.001e+00 6.093e-01 0.001 -0.215 -0.216 18.95 HCl 8.568e-09 2.285e-08 -8.067 -7.641 0.426 (0) -H(0) 5.939e-17 - H2 2.970e-17 3.740e-17 -16.527 -16.427 0.100 28.61 +H(0) 6.472e-17 + H2 3.236e-17 4.075e-17 -16.490 -16.390 0.100 28.61 Na 1.001e+00 Na+ 1.001e+00 7.322e-01 0.001 -0.135 -0.136 -0.31 - NaOH 5.221e-18 6.575e-18 -17.282 -17.182 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.656 -59.556 0.100 30.40 + O2 0.000e+00 0.000e+00 -59.730 -59.630 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.33 -16.43 -3.10 H2 + H2(g) -13.29 -16.39 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.66 -59.56 -2.89 O2 + O2(g) -56.74 -59.63 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21348,7 +21189,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -1.077 Adjusted to redox equilibrium + pe = -1.036 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84558 Density (g/cm³) = 1.03619 Volume (L) = 1.02167 @@ -21356,11 +21197,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.712e-16 + Total alkalinity (eq/kg) = 2.245e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.181e-12 + Electrical balance (eq) = -4.136e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21375,22 +21216,21 @@ Reaction 1. Cl 1.003e+00 Cl- 1.003e+00 6.105e-01 0.001 -0.214 -0.216 18.95 HCl 8.567e-09 2.290e-08 -8.067 -7.640 0.427 (0) -H(0) 1.903e-15 - H2 9.516e-16 1.199e-15 -15.022 -14.921 0.100 28.61 +H(0) 1.573e-15 + H2 7.866e-16 9.910e-16 -15.104 -15.004 0.100 28.61 Na 1.003e+00 Na+ 1.003e+00 7.339e-01 0.001 -0.134 -0.136 -0.31 - NaOH 5.230e-18 6.589e-18 -17.281 -17.181 0.100 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.668 -62.568 0.100 30.40 + O2 0.000e+00 0.000e+00 -62.503 -62.402 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.82 -14.92 -3.10 H2 + H2(g) -11.90 -15.00 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -59.68 -62.57 -2.89 O2 + O2(g) -59.51 -62.40 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21426,7 +21266,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = -0.389 Adjusted to redox equilibrium + pe = -0.264 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84804 Density (g/cm³) = 1.03632 Volume (L) = 1.02174 @@ -21434,11 +21274,11 @@ Reaction 1. Activity of water = 0.966 Ionic strength (mol/kgw) = 1.007e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.954e-17 + Total alkalinity (eq/kg) = 4.422e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.186e-14 + Electrical balance (eq) = -3.842e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21453,22 +21293,21 @@ Reaction 1. Cl 1.007e+00 Cl- 1.007e+00 6.125e-01 0.003 -0.213 -0.216 18.95 HCl 8.566e-09 2.298e-08 -8.067 -7.639 0.429 (0) -H(0) 7.980e-17 - H2 3.990e-17 5.031e-17 -16.399 -16.298 0.101 28.61 +H(0) 4.498e-17 + H2 2.249e-17 2.836e-17 -16.648 -16.547 0.101 28.61 Na 1.007e+00 Na+ 1.007e+00 7.367e-01 0.003 -0.133 -0.136 -0.30 - NaOH 5.244e-18 6.613e-18 -17.280 -17.180 0.101 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.914 -59.814 0.101 30.40 + O2 0.000e+00 0.000e+00 -59.416 -59.316 0.101 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.20 -16.30 -3.10 H2 + H2(g) -13.45 -16.55 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.92 -0.35 1.57 NaCl - O2(g) -56.92 -59.81 -2.89 O2 + O2(g) -56.42 -59.32 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21504,7 +21343,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = 0.048 Adjusted to redox equilibrium + pe = -0.402 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 85644 Density (g/cm³) = 1.03676 Volume (L) = 1.02197 @@ -21512,11 +21351,11 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.019e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.094e-17 + Total alkalinity (eq/kg) = 6.510e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.957e-16 + Electrical balance (eq) = -4.818e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21531,22 +21370,21 @@ Reaction 1. Cl 1.019e+00 Cl- 1.019e+00 6.192e-01 0.008 -0.208 -0.216 18.95 HCl 8.561e-09 2.324e-08 -8.067 -7.634 0.434 (0) -H(0) 1.063e-17 - H2 5.317e-18 6.723e-18 -17.274 -17.172 0.102 28.61 +H(0) 8.474e-17 + H2 4.237e-17 5.357e-17 -16.373 -16.271 0.102 28.61 Na 1.019e+00 Na+ 1.019e+00 7.462e-01 0.008 -0.127 -0.135 -0.30 - NaOH 5.293e-18 6.693e-18 -17.276 -17.174 0.102 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.168 -58.066 0.102 30.40 + O2 0.000e+00 0.000e+00 -59.970 -59.868 0.102 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.07 -17.17 -3.10 H2 + H2(g) -13.17 -16.27 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.91 -0.34 1.57 NaCl - O2(g) -55.17 -58.07 -2.89 O2 + O2(g) -56.98 -59.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21582,7 +21420,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = 0.008 Adjusted to redox equilibrium + pe = 0.194 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 85794 Density (g/cm³) = 1.03684 Volume (L) = 1.02202 @@ -21590,11 +21428,11 @@ Reaction 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.021e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.586e-17 + Total alkalinity (eq/kg) = -1.559e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.610e-12 + Electrical balance (eq) = -2.136e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21609,22 +21447,21 @@ Reaction 1. Cl 1.021e+00 Cl- 1.021e+00 6.204e-01 0.009 -0.207 -0.216 18.95 HCl 8.560e-09 2.328e-08 -8.068 -7.633 0.435 (0) -H(0) 1.283e-17 - H2 6.413e-18 8.113e-18 -17.193 -17.091 0.102 28.61 +H(0) 5.429e-18 + H2 2.714e-18 3.434e-18 -17.566 -17.464 0.102 28.61 Na 1.021e+00 Na+ 1.021e+00 7.479e-01 0.009 -0.126 -0.135 -0.30 - NaOH 5.302e-18 6.707e-18 -17.276 -17.173 0.102 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.331 -58.229 0.102 30.40 + O2 0.000e+00 0.000e+00 -57.584 -57.482 0.102 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.99 -17.09 -3.10 H2 + H2(g) -14.36 -17.46 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.90 -0.33 1.57 NaCl - O2(g) -55.34 -58.23 -2.89 O2 + O2(g) -54.59 -57.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21660,7 +21497,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.017 Adjusted to redox equilibrium + pe = -0.835 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 97265 Density (g/cm³) = 1.04306 Volume (L) = 1.02533 @@ -21668,11 +21505,11 @@ Reaction 1. Activity of water = 0.960 Ionic strength (mol/kgw) = 1.189e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.201e-17 + Total alkalinity (eq/kg) = 2.110e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.484e-15 + Electrical balance (eq) = -7.846e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 9 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21687,22 +21524,21 @@ Reaction 1. Cl 1.189e+00 Cl- 1.189e+00 7.138e-01 0.075 -0.146 -0.222 19.02 HCl 8.395e-09 2.691e-08 -8.076 -7.570 0.506 (0) -H(0) 1.394e-17 - H2 6.970e-18 9.164e-18 -17.157 -17.038 0.119 28.61 +H(0) 6.040e-16 + H2 3.020e-16 3.971e-16 -15.520 -15.401 0.119 28.61 Na 1.189e+00 Na+ 1.189e+00 8.844e-01 0.075 -0.053 -0.128 -0.21 - NaOH 5.968e-18 7.848e-18 -17.224 -17.105 0.119 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.459 -58.340 0.119 30.40 + O2 0.000e+00 0.000e+00 -61.732 -61.614 0.119 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.94 -17.04 -3.10 H2 + H2(g) -12.30 -15.40 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.77 -0.20 1.57 NaCl - O2(g) -55.45 -58.34 -2.89 O2 + O2(g) -58.72 -61.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21738,7 +21574,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.411 Adjusted to redox equilibrium + pe = -0.322 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98011 Density (g/cm³) = 1.04347 Volume (L) = 1.02555 @@ -21746,11 +21582,11 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.390e-17 + Total alkalinity (eq/kg) = 1.628e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.364e-14 + Electrical balance (eq) = -1.827e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21765,22 +21601,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.378e-09 2.716e-08 -8.077 -7.566 0.511 (0) -H(0) 8.557e-17 - H2 4.278e-17 5.640e-17 -16.369 -16.249 0.120 28.61 +H(0) 5.675e-17 + H2 2.838e-17 3.741e-17 -16.547 -16.427 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.012e-18 7.925e-18 -17.221 -17.101 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.039 -59.919 0.120 30.40 + O2 0.000e+00 0.000e+00 -59.682 -59.562 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.15 -16.25 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21816,7 +21651,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = -0.411 Adjusted to redox equilibrium + pe = -0.322 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98011 Density (g/cm³) = 1.04347 Volume (L) = 1.02555 @@ -21824,11 +21659,11 @@ Reaction 1. Activity of water = 0.959 Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.390e-17 + Total alkalinity (eq/kg) = 1.628e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.364e-14 + Electrical balance (eq) = -1.827e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21843,22 +21678,21 @@ Reaction 1. Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.378e-09 2.716e-08 -8.077 -7.566 0.511 (0) -H(0) 8.557e-17 - H2 4.278e-17 5.640e-17 -16.369 -16.249 0.120 28.61 +H(0) 5.675e-17 + H2 2.838e-17 3.741e-17 -16.547 -16.427 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.012e-18 7.925e-18 -17.221 -17.101 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.039 -59.919 0.120 30.40 + O2 0.000e+00 0.000e+00 -59.682 -59.562 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.15 -16.25 -3.10 H2 + H2(g) -13.33 -16.43 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.76 -0.19 1.57 NaCl - O2(g) -57.03 -59.92 -2.89 O2 + O2(g) -56.67 -59.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21894,7 +21728,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 0.002 Adjusted to redox equilibrium + pe = -0.245 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 102030 Density (g/cm³) = 1.04571 Volume (L) = 1.02677 @@ -21902,11 +21736,11 @@ Reaction 1. Activity of water = 0.957 Ionic strength (mol/kgw) = 1.261e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.366e-17 + Total alkalinity (eq/kg) = 1.724e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.433e-16 + Electrical balance (eq) = -1.455e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 30 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21921,22 +21755,21 @@ Reaction 1. Cl 1.261e+00 Cl- 1.261e+00 7.539e-01 0.101 -0.123 -0.223 19.05 HCl 8.276e-09 2.848e-08 -8.082 -7.545 0.537 (0) -H(0) 1.260e-17 - H2 6.299e-18 8.421e-18 -17.201 -17.075 0.126 28.61 +H(0) 3.932e-17 + H2 1.966e-17 2.629e-17 -16.706 -16.580 0.126 28.61 Na 1.261e+00 Na+ 1.261e+00 9.451e-01 0.101 -0.025 -0.125 -0.17 - NaOH 6.245e-18 8.349e-18 -17.204 -17.078 0.126 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.395 -58.269 0.126 30.40 + O2 0.000e+00 0.000e+00 -59.384 -59.258 0.126 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.97 -17.07 -3.10 H2 + H2(g) -13.48 -16.58 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.72 -0.15 1.57 NaCl - O2(g) -55.38 -58.27 -2.89 O2 + O2(g) -56.37 -59.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -21972,7 +21805,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.444 Adjusted to redox equilibrium + pe = -0.428 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 105680 Density (g/cm³) = 1.04776 Volume (L) = 1.02790 @@ -21980,11 +21813,11 @@ Reaction 1. Activity of water = 0.955 Ionic strength (mol/kgw) = 1.317e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.939e-17 + Total alkalinity (eq/kg) = -4.466e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.742e-10 + Electrical balance (eq) = -1.131e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -21999,22 +21832,21 @@ Reaction 1. Cl 1.317e+00 Cl- 1.317e+00 7.852e-01 0.120 -0.105 -0.225 19.07 HCl 8.168e-09 2.970e-08 -8.088 -7.527 0.561 (0) -H(0) 9.752e-17 - H2 4.876e-17 6.604e-17 -16.312 -16.180 0.132 28.61 +H(0) 9.059e-17 + H2 4.529e-17 6.135e-17 -16.344 -16.212 0.132 28.61 Na 1.317e+00 Na+ 1.317e+00 9.934e-01 0.120 -0.003 -0.123 -0.15 - NaOH 6.457e-18 8.746e-18 -17.190 -17.058 0.132 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.191 -60.059 0.132 30.40 + O2 0.000e+00 0.000e+00 -60.127 -59.995 0.132 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.11 -16.21 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.68 -0.11 1.57 NaCl - O2(g) -57.17 -60.06 -2.89 O2 + O2(g) -57.10 -60.00 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22050,7 +21882,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.373 Adjusted to redox equilibrium + pe = -0.439 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 109955 Density (g/cm³) = 1.05021 Volume (L) = 1.02925 @@ -22058,11 +21890,11 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.385e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.077e-17 + Total alkalinity (eq/kg) = 9.172e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.825e-11 + Electrical balance (eq) = 5.085e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 7 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22077,22 +21909,21 @@ Reaction 1. Cl 1.385e+00 Cl- 1.385e+00 8.225e-01 0.141 -0.085 -0.226 19.09 HCl 8.023e-09 3.117e-08 -8.096 -7.506 0.589 (0) -H(0) 6.928e-17 - H2 3.464e-17 4.765e-17 -16.460 -16.322 0.138 28.61 +H(0) 9.386e-17 + H2 4.693e-17 6.456e-17 -16.329 -16.190 0.138 28.61 Na 1.385e+00 Na+ 1.385e+00 1.052e+00 0.141 0.022 -0.119 -0.12 - NaOH 6.706e-18 9.225e-18 -17.174 -17.035 0.138 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.916 -59.778 0.138 30.40 + O2 0.000e+00 0.000e+00 -60.180 -60.042 0.138 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.22 -16.32 -3.10 H2 + H2(g) -13.09 -16.19 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.63 -0.06 1.57 NaCl - O2(g) -56.89 -59.78 -2.89 O2 + O2(g) -57.15 -60.04 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22128,7 +21959,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -0.277 Adjusted to redox equilibrium + pe = -0.250 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 110436 Density (g/cm³) = 1.05049 Volume (L) = 1.02940 @@ -22136,11 +21967,11 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.392e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.382e-17 + Total alkalinity (eq/kg) = -4.513e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.443e-12 + Electrical balance (eq) = -5.415e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22155,22 +21986,21 @@ Reaction 1. Cl 1.392e+00 Cl- 1.392e+00 8.268e-01 0.144 -0.083 -0.226 19.10 HCl 8.006e-09 3.133e-08 -8.097 -7.504 0.593 (0) -H(0) 4.446e-17 - H2 2.223e-17 3.063e-17 -16.653 -16.514 0.139 28.61 +H(0) 3.941e-17 + H2 1.971e-17 2.715e-17 -16.705 -16.566 0.139 28.61 Na 1.392e+00 Na+ 1.392e+00 1.059e+00 0.144 0.025 -0.119 -0.11 - NaOH 6.734e-18 9.280e-18 -17.172 -17.032 0.139 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.534 -59.394 0.139 30.40 + O2 0.000e+00 0.000e+00 -59.429 -59.290 0.139 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.41 -16.51 -3.10 H2 + H2(g) -13.47 -16.57 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.63 -0.06 1.57 NaCl - O2(g) -56.50 -59.39 -2.89 O2 + O2(g) -56.40 -59.29 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22206,7 +22036,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.561 Adjusted to redox equilibrium + pe = -0.532 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 110918 Density (g/cm³) = 1.05077 Volume (L) = 1.02955 @@ -22214,11 +22044,11 @@ Reaction 1. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.400e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.083e-16 + Total alkalinity (eq/kg) = 8.857e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.259e-11 + Electrical balance (eq) = 1.192e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22233,22 +22063,21 @@ Reaction 1. Cl 1.400e+00 Cl- 1.400e+00 8.310e-01 0.146 -0.080 -0.227 19.10 HCl 7.988e-09 3.150e-08 -8.098 -7.502 0.596 (0) -H(0) 1.641e-16 - H2 8.207e-17 1.133e-16 -16.086 -15.946 0.140 28.61 +H(0) 1.436e-16 + H2 7.180e-17 9.911e-17 -16.144 -16.004 0.140 28.61 Na 1.400e+00 Na+ 1.400e+00 1.065e+00 0.146 0.028 -0.119 -0.11 - NaOH 6.763e-18 9.335e-18 -17.170 -17.030 0.140 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.671 -60.531 0.140 30.40 + O2 0.000e+00 0.000e+00 -60.555 -60.415 0.140 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.84 -15.95 -3.10 H2 + H2(g) -12.90 -16.00 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.62 -0.05 1.57 NaCl - O2(g) -57.64 -60.53 -2.89 O2 + O2(g) -57.52 -60.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22284,7 +22113,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 0.018 Adjusted to redox equilibrium + pe = -0.694 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 111781 Density (g/cm³) = 1.05126 Volume (L) = 1.02983 @@ -22292,11 +22121,11 @@ Reaction 1. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.414e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.079e-17 + Total alkalinity (eq/kg) = 2.351e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.536e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Electrical balance (eq) = -3.445e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22311,22 +22140,21 @@ Reaction 1. Cl 1.414e+00 Cl- 1.414e+00 8.387e-01 0.150 -0.076 -0.227 19.11 HCl 7.956e-09 3.180e-08 -8.099 -7.498 0.602 (0) -H(0) 1.139e-17 - H2 5.693e-18 7.884e-18 -17.245 -17.103 0.141 28.61 +H(0) 3.032e-16 + H2 1.516e-16 2.099e-16 -15.819 -15.678 0.141 28.61 Na 1.414e+00 Na+ 1.414e+00 1.078e+00 0.150 0.032 -0.118 -0.10 - NaOH 6.813e-18 9.434e-18 -17.167 -17.025 0.141 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.358 -58.216 0.141 30.40 + O2 0.000e+00 0.000e+00 -61.208 -61.067 0.141 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.00 -17.10 -3.10 H2 + H2(g) -12.58 -15.68 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.61 -0.04 1.57 NaCl - O2(g) -55.32 -58.22 -2.89 O2 + O2(g) -58.17 -61.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22362,7 +22190,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.457 Adjusted to redox equilibrium + pe = -0.587 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 115538 Density (g/cm³) = 1.05346 Volume (L) = 1.03106 @@ -22370,11 +22198,11 @@ Reaction 1. Activity of water = 0.950 Ionic strength (mol/kgw) = 1.475e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.192e-18 + Total alkalinity (eq/kg) = 1.514e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.071e-12 + Electrical balance (eq) = 6.717e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22389,22 +22217,21 @@ Reaction 1. Cl 1.475e+00 Cl- 1.475e+00 8.724e-01 0.169 -0.059 -0.228 19.13 HCl 7.808e-09 3.312e-08 -8.107 -7.480 0.628 (0) -H(0) 1.004e-16 - H2 5.020e-17 7.050e-17 -16.299 -16.152 0.147 28.61 +H(0) 1.831e-16 + H2 9.153e-17 1.285e-16 -16.038 -15.891 0.147 28.61 Na 1.475e+00 Na+ 1.475e+00 1.132e+00 0.169 0.054 -0.115 -0.07 - NaOH 7.032e-18 9.875e-18 -17.153 -17.005 0.147 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.269 -60.121 0.147 30.40 + O2 0.000e+00 0.000e+00 -60.790 -60.643 0.147 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.05 -16.15 -3.10 H2 + H2(g) -12.79 -15.89 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.58 -0.01 1.57 NaCl - O2(g) -57.23 -60.12 -2.89 O2 + O2(g) -57.75 -60.64 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22440,7 +22267,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.646 Adjusted to redox equilibrium + pe = -0.218 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117081 Density (g/cm³) = 1.05437 Volume (L) = 1.03157 @@ -22448,11 +22275,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.478e-16 + Total alkalinity (eq/kg) = -2.253e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.005e-11 + Electrical balance (eq) = -1.095e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22467,22 +22294,21 @@ Reaction 1. Cl 1.500e+00 Cl- 1.500e+00 8.865e-01 0.176 -0.052 -0.228 19.14 HCl 7.744e-09 3.368e-08 -8.111 -7.473 0.638 (0) -H(0) 2.386e-16 - H2 1.193e-16 1.685e-16 -15.923 -15.773 0.150 28.61 +H(0) 3.319e-17 + H2 1.660e-17 2.344e-17 -16.780 -16.630 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 7.122e-18 1.006e-17 -17.147 -16.997 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.029 -60.879 0.150 30.40 + O2 0.000e+00 0.000e+00 -59.316 -59.166 0.150 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.67 -15.77 -3.10 H2 + H2(g) -13.53 -16.63 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.56 0.01 1.57 NaCl - O2(g) -57.99 -60.88 -2.89 O2 + O2(g) -56.27 -59.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22518,7 +22344,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 0.758 Adjusted to redox equilibrium + pe = -0.342 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117198 Density (g/cm³) = 1.05444 Volume (L) = 1.03161 @@ -22526,9 +22352,9 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.502e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.437e-16 + Total alkalinity (eq/kg) = 5.782e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.661e-13 + Electrical balance (eq) = 1.302e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110124e+02 @@ -22545,22 +22371,21 @@ Reaction 1. Cl 1.502e+00 Cl- 1.502e+00 8.876e-01 0.177 -0.052 -0.228 19.14 HCl 7.739e-09 3.372e-08 -8.111 -7.472 0.639 (0) -H(0) 3.707e-19 - H2 1.854e-19 2.619e-19 -18.732 -18.582 0.150 28.61 +H(0) 5.898e-17 + H2 2.949e-17 4.167e-17 -16.530 -16.380 0.150 28.61 Na 1.502e+00 Na+ 1.502e+00 1.157e+00 0.177 0.063 -0.113 -0.06 - NaOH 7.129e-18 1.007e-17 -17.147 -16.997 0.150 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.412 -55.262 0.150 30.40 + O2 0.000e+00 0.000e+00 -59.815 -59.665 0.150 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.48 -18.58 -3.10 H2 + H2(g) -13.28 -16.38 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.56 0.01 1.57 NaCl - O2(g) -52.37 -55.26 -2.89 O2 + O2(g) -56.77 -59.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22596,7 +22421,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.608 Adjusted to redox equilibrium + pe = -0.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 117624 Density (g/cm³) = 1.05469 Volume (L) = 1.03175 @@ -22604,11 +22429,11 @@ Reaction 1. Activity of water = 0.949 Ionic strength (mol/kgw) = 1.509e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.892e-17 + Total alkalinity (eq/kg) = 1.744e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.380e-10 + Electrical balance (eq) = -1.559e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22623,22 +22448,21 @@ Reaction 1. Cl 1.509e+00 Cl- 1.509e+00 8.915e-01 0.179 -0.050 -0.229 19.14 HCl 7.721e-09 3.387e-08 -8.112 -7.470 0.642 (0) -H(0) 2.004e-16 - H2 1.002e-16 1.418e-16 -15.999 -15.848 0.151 28.61 +H(0) 6.249e-17 + H2 3.124e-17 4.422e-17 -16.505 -16.354 0.151 28.61 Na 1.509e+00 Na+ 1.509e+00 1.163e+00 0.179 0.066 -0.113 -0.06 - NaOH 7.154e-18 1.013e-17 -17.145 -16.995 0.151 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.880 -60.729 0.151 30.40 + O2 0.000e+00 0.000e+00 -59.868 -59.717 0.151 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.75 -15.85 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.55 0.02 1.57 NaCl - O2(g) -57.84 -60.73 -2.89 O2 + O2(g) -56.82 -59.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22674,7 +22498,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.357 Adjusted to redox equilibrium + pe = -0.597 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 121447 Density (g/cm³) = 1.05697 Volume (L) = 1.03304 @@ -22682,11 +22506,11 @@ Reaction 1. Activity of water = 0.947 Ionic strength (mol/kgw) = 1.572e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.285e-17 + Total alkalinity (eq/kg) = 1.127e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.690e-09 + Electrical balance (eq) = -4.800e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22701,22 +22525,21 @@ Reaction 1. Cl 1.572e+00 Cl- 1.572e+00 9.268e-01 0.197 -0.033 -0.230 19.16 HCl 7.552e-09 3.526e-08 -8.122 -7.453 0.669 (0) -H(0) 6.227e-17 - H2 3.114e-17 4.472e-17 -16.507 -16.349 0.157 28.61 +H(0) 1.878e-16 + H2 9.389e-17 1.349e-16 -16.027 -15.870 0.157 28.61 Na 1.572e+00 Na+ 1.572e+00 1.222e+00 0.197 0.087 -0.110 -0.03 - NaOH 7.378e-18 1.060e-17 -17.132 -16.975 0.157 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.886 -59.729 0.157 30.40 + O2 0.000e+00 0.000e+00 -60.845 -60.687 0.157 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.25 -16.35 -3.10 H2 + H2(g) -12.77 -15.87 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.52 0.05 1.57 NaCl - O2(g) -56.84 -59.73 -2.89 O2 + O2(g) -57.80 -60.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22752,7 +22575,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.626 Adjusted to redox equilibrium + pe = -0.413 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 122214 Density (g/cm³) = 1.05744 Volume (L) = 1.03331 @@ -22760,11 +22583,11 @@ Reaction 1. Activity of water = 0.946 Ionic strength (mol/kgw) = 1.585e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.184e-16 + Total alkalinity (eq/kg) = 6.275e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.045e-08 + Electrical balance (eq) = -5.711e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 7 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22779,22 +22602,21 @@ Reaction 1. Cl 1.585e+00 Cl- 1.585e+00 9.340e-01 0.200 -0.030 -0.230 19.16 HCl 7.517e-09 3.554e-08 -8.124 -7.449 0.675 (0) -H(0) 2.144e-16 - H2 1.072e-16 1.544e-16 -15.970 -15.811 0.159 28.61 +H(0) 8.039e-17 + H2 4.019e-17 5.790e-17 -16.396 -16.237 0.159 28.61 Na 1.585e+00 Na+ 1.585e+00 1.234e+00 0.200 0.091 -0.109 -0.03 - NaOH 7.423e-18 1.069e-17 -17.129 -16.971 0.159 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.964 -60.806 0.159 30.40 + O2 0.000e+00 0.000e+00 -60.112 -59.954 0.159 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.71 -15.81 -3.10 H2 + H2(g) -13.14 -16.24 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.51 0.06 1.57 NaCl - O2(g) -57.91 -60.81 -2.89 O2 + O2(g) -57.06 -59.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22830,7 +22652,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.491 Adjusted to redox equilibrium + pe = -0.549 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 123077 Density (g/cm³) = 1.05796 Volume (L) = 1.03360 @@ -22838,11 +22660,11 @@ Reaction 1. Activity of water = 0.946 Ionic strength (mol/kgw) = 1.600e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.114e-16 + Total alkalinity (eq/kg) = -3.503e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.671e-11 + Electrical balance (eq) = -1.675e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 19 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22857,22 +22679,21 @@ Reaction 1. Cl 1.600e+00 Cl- 1.600e+00 9.422e-01 0.204 -0.026 -0.230 19.17 HCl 7.476e-09 3.586e-08 -8.126 -7.445 0.681 (0) -H(0) 1.148e-16 - H2 5.740e-17 8.297e-17 -16.241 -16.081 0.160 28.61 +H(0) 1.497e-16 + H2 7.487e-17 1.082e-16 -16.126 -15.966 0.160 28.61 Na 1.600e+00 Na+ 1.600e+00 1.247e+00 0.204 0.096 -0.108 -0.02 - NaOH 7.474e-18 1.080e-17 -17.126 -16.966 0.160 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.426 -60.266 0.160 30.40 + O2 0.000e+00 0.000e+00 -60.657 -60.497 0.160 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.98 -16.08 -3.10 H2 + H2(g) -12.86 -15.97 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.50 0.07 1.57 NaCl - O2(g) -57.37 -60.27 -2.89 O2 + O2(g) -57.60 -60.50 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22908,7 +22729,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = -0.121 Adjusted to redox equilibrium + pe = -0.346 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 126895 Density (g/cm³) = 1.06029 Volume (L) = 1.03494 @@ -22916,11 +22737,11 @@ Reaction 1. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.665e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.477e-17 + Total alkalinity (eq/kg) = 5.258e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.150e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Electrical balance (eq) = -3.454e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 44 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -22935,22 +22756,21 @@ Reaction 1. Cl 1.665e+00 Cl- 1.665e+00 9.785e-01 0.222 -0.009 -0.231 19.19 HCl 7.292e-09 3.730e-08 -8.137 -7.428 0.709 (0) -H(0) 2.058e-17 - H2 1.029e-17 1.510e-17 -16.988 -16.821 0.167 28.61 +H(0) 5.805e-17 + H2 2.902e-17 4.259e-17 -16.537 -16.371 0.167 28.61 Na 1.665e+00 Na+ 1.665e+00 1.309e+00 0.222 0.117 -0.105 0.01 - NaOH 7.699e-18 1.130e-17 -17.114 -16.947 0.167 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.955 -58.789 0.167 30.40 + O2 0.000e+00 0.000e+00 -59.856 -59.689 0.167 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.72 -16.82 -3.10 H2 + H2(g) -13.27 -16.37 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.46 0.11 1.57 NaCl - O2(g) -55.90 -58.79 -2.89 O2 + O2(g) -56.80 -59.69 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -22986,7 +22806,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = -0.640 Adjusted to redox equilibrium + pe = 0.056 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 127323 Density (g/cm³) = 1.06055 Volume (L) = 1.03509 @@ -22994,11 +22814,11 @@ Reaction 1. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.673e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.457e-17 + Total alkalinity (eq/kg) = -1.562e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.501e-11 + Electrical balance (eq) = -1.014e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23013,22 +22833,21 @@ Reaction 1. Cl 1.673e+00 Cl- 1.673e+00 9.827e-01 0.223 -0.008 -0.231 19.19 HCl 7.271e-09 3.746e-08 -8.138 -7.426 0.712 (0) -H(0) 2.246e-16 - H2 1.123e-16 1.651e-16 -15.950 -15.782 0.167 28.61 +H(0) 9.096e-18 + H2 4.548e-18 6.685e-18 -17.342 -17.175 0.167 28.61 Na 1.673e+00 Na+ 1.673e+00 1.316e+00 0.223 0.119 -0.104 0.01 - NaOH 7.724e-18 1.135e-17 -17.112 -16.945 0.167 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.034 -60.866 0.167 30.40 + O2 0.000e+00 0.000e+00 -58.248 -58.081 0.167 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.68 -15.78 -3.10 H2 + H2(g) -14.07 -17.17 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.46 0.11 1.57 NaCl - O2(g) -57.97 -60.87 -2.89 O2 + O2(g) -55.19 -58.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23064,7 +22883,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = -0.807 Adjusted to redox equilibrium + pe = -0.652 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 133539 Density (g/cm³) = 1.06443 Volume (L) = 1.03733 @@ -23072,9 +22891,9 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.782e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.599e-16 + Total alkalinity (eq/kg) = 6.126e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.549e-16 + Electrical balance (eq) = -6.330e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+02 @@ -23091,22 +22910,21 @@ Reaction 1. Cl 1.782e+00 Cl- 1.782e+00 1.044e+00 0.251 0.019 -0.232 19.23 HCl 6.950e-09 3.987e-08 -8.158 -7.399 0.759 (0) -H(0) 4.745e-16 - H2 2.373e-16 3.577e-16 -15.625 -15.447 0.178 28.61 +H(0) 2.326e-16 + H2 1.163e-16 1.753e-16 -15.934 -15.756 0.178 28.61 Na 1.782e+00 Na+ 1.782e+00 1.423e+00 0.251 0.153 -0.098 0.06 - NaOH 8.092e-18 1.220e-17 -17.092 -16.914 0.178 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.719 -61.541 0.178 30.40 + O2 0.000e+00 0.000e+00 -61.100 -60.922 0.178 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.35 -15.45 -3.10 H2 + H2(g) -12.66 -15.76 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.40 0.17 1.57 NaCl - O2(g) -58.65 -61.54 -2.89 O2 + O2(g) -58.03 -60.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23142,7 +22960,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = -0.491 Adjusted to redox equilibrium + pe = 1.244 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 134516 Density (g/cm³) = 1.06505 Volume (L) = 1.03770 @@ -23150,11 +22968,11 @@ Reaction 1. Activity of water = 0.939 Ionic strength (mol/kgw) = 1.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.057e-16 + Total alkalinity (eq/kg) = -1.398e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.705e-10 + Electrical balance (eq) = -6.286e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23169,22 +22987,21 @@ Reaction 1. Cl 1.800e+00 Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 HCl 6.898e-09 4.025e-08 -8.161 -7.395 0.766 (0) -H(0) 1.101e-16 - H2 5.507e-17 8.336e-17 -16.259 -16.079 0.180 28.61 +H(0) 3.749e-20 + H2 1.875e-20 2.837e-20 -19.727 -19.547 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.150e-18 1.234e-17 -17.089 -16.909 0.180 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.457 -60.277 0.180 30.40 + O2 0.000e+00 0.000e+00 -53.521 -53.341 0.180 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.98 -16.08 -3.10 H2 + H2(g) -16.45 -19.55 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.39 0.18 1.57 NaCl - O2(g) -57.38 -60.28 -2.89 O2 + O2(g) -50.45 -53.34 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23220,7 +23037,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.696 Adjusted to redox equilibrium + pe = -0.713 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 139947 Density (g/cm³) = 1.06854 Volume (L) = 1.03975 @@ -23228,11 +23045,11 @@ Reaction 1. Activity of water = 0.935 Ionic strength (mol/kgw) = 1.900e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.369e-16 + Total alkalinity (eq/kg) = -1.982e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.322e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.803e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23247,22 +23064,21 @@ Reaction 1. Cl 1.900e+00 Cl- 1.899e+00 1.109e+00 0.279 0.045 -0.234 19.26 HCl 6.598e-09 4.245e-08 -8.181 -7.372 0.808 (0) -H(0) 2.787e-16 - H2 1.394e-16 2.158e-16 -15.856 -15.666 0.190 28.61 +H(0) 3.010e-16 + H2 1.505e-16 2.331e-16 -15.822 -15.632 0.190 28.61 Na 1.900e+00 Na+ 1.900e+00 1.540e+00 0.279 0.188 -0.091 0.10 - NaOH 8.475e-18 1.312e-17 -17.072 -16.882 0.190 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.296 -61.106 0.190 30.40 + O2 0.000e+00 0.000e+00 -61.363 -61.173 0.190 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.56 -15.67 -3.10 H2 + H2(g) -12.53 -15.63 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.34 0.23 1.57 NaCl - O2(g) -58.21 -61.11 -2.89 O2 + O2(g) -58.28 -61.17 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23298,7 +23114,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.647 Adjusted to redox equilibrium + pe = -0.186 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142025 Density (g/cm³) = 1.06990 Volume (L) = 1.04055 @@ -23306,11 +23122,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.938e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.137e-16 + Total alkalinity (eq/kg) = 1.624e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.475e-08 + Electrical balance (eq) = 2.810e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23325,22 +23141,21 @@ Reaction 1. Cl 1.938e+00 Cl- 1.938e+00 1.131e+00 0.287 0.053 -0.234 19.27 HCl 6.480e-09 4.331e-08 -8.188 -7.363 0.825 (0) -H(0) 2.201e-16 - H2 1.100e-16 1.719e-16 -15.958 -15.765 0.194 28.61 +H(0) 2.642e-17 + H2 1.321e-17 2.064e-17 -16.879 -16.685 0.194 28.61 Na 1.938e+00 Na+ 1.938e+00 1.580e+00 0.287 0.199 -0.089 0.12 - NaOH 8.600e-18 1.344e-17 -17.066 -16.872 0.194 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.104 -60.910 0.194 30.40 + O2 0.000e+00 0.000e+00 -59.263 -59.069 0.194 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.66 -15.76 -3.10 H2 + H2(g) -13.58 -16.69 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.32 0.25 1.57 NaCl - O2(g) -58.02 -60.91 -2.89 O2 + O2(g) -56.18 -59.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23376,7 +23191,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.481 Adjusted to redox equilibrium + pe = -0.062 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142639 Density (g/cm³) = 1.07030 Volume (L) = 1.04079 @@ -23384,11 +23199,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.950e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.335e-17 + Total alkalinity (eq/kg) = -8.115e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.771e-14 + Electrical balance (eq) = 6.355e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23403,22 +23218,21 @@ Reaction 1. Cl 1.950e+00 Cl- 1.950e+00 1.137e+00 0.290 0.056 -0.234 19.28 HCl 6.445e-09 4.356e-08 -8.191 -7.361 0.830 (0) -H(0) 1.022e-16 - H2 5.109e-17 8.005e-17 -16.292 -16.097 0.195 28.61 +H(0) 1.486e-17 + H2 7.430e-18 1.164e-17 -17.129 -16.934 0.195 28.61 Na 1.950e+00 Na+ 1.950e+00 1.592e+00 0.290 0.202 -0.088 0.12 - NaOH 8.637e-18 1.353e-17 -17.064 -16.869 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.441 -60.246 0.195 30.40 + O2 0.000e+00 0.000e+00 -58.767 -58.572 0.195 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.00 -16.10 -3.10 H2 + H2(g) -13.83 -16.93 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -57.35 -60.25 -2.89 O2 + O2(g) -55.68 -58.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23454,7 +23268,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.365 Adjusted to redox equilibrium + pe = -0.356 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 142882 Density (g/cm³) = 1.07046 Volume (L) = 1.04089 @@ -23462,11 +23276,11 @@ Reaction 1. Activity of water = 0.934 Ionic strength (mol/kgw) = 1.955e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.649e-18 + Total alkalinity (eq/kg) = -2.184e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.607e-14 + Electrical balance (eq) = 7.008e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 43 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23481,22 +23295,21 @@ Reaction 1. Cl 1.955e+00 Cl- 1.955e+00 1.140e+00 0.291 0.057 -0.234 19.28 HCl 6.431e-09 4.367e-08 -8.192 -7.360 0.832 (0) -H(0) 5.983e-17 - H2 2.991e-17 4.692e-17 -16.524 -16.329 0.195 28.61 +H(0) 5.745e-17 + H2 2.872e-17 4.505e-17 -16.542 -16.346 0.195 28.61 Na 1.955e+00 Na+ 1.955e+00 1.597e+00 0.291 0.203 -0.088 0.12 - NaOH 8.652e-18 1.357e-17 -17.063 -16.867 0.195 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.978 -59.782 0.195 30.40 + O2 0.000e+00 0.000e+00 -59.943 -59.747 0.195 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.23 -16.33 -3.10 H2 + H2(g) -13.25 -16.35 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -56.89 -59.78 -2.89 O2 + O2(g) -56.85 -59.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23532,7 +23345,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.437 Adjusted to redox equilibrium + pe = -0.367 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 143220 Density (g/cm³) = 1.07069 Volume (L) = 1.04102 @@ -23540,9 +23353,9 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.961e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.941e-17 + Total alkalinity (eq/kg) = 1.655e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.745e-14 + Electrical balance (eq) = 9.498e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -23559,22 +23372,21 @@ Reaction 1. Cl 1.961e+00 Cl- 1.961e+00 1.144e+00 0.292 0.058 -0.234 19.28 HCl 6.411e-09 4.381e-08 -8.193 -7.358 0.835 (0) -H(0) 8.323e-17 - H2 4.162e-17 6.537e-17 -16.381 -16.185 0.196 28.61 +H(0) 6.047e-17 + H2 3.023e-17 4.749e-17 -16.519 -16.323 0.196 28.61 Na 1.961e+00 Na+ 1.961e+00 1.603e+00 0.292 0.205 -0.087 0.13 - NaOH 8.672e-18 1.362e-17 -17.062 -16.866 0.196 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.267 -60.071 0.196 30.40 + O2 0.000e+00 0.000e+00 -59.989 -59.793 0.196 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.08 -16.18 -3.10 H2 + H2(g) -13.22 -16.32 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.31 0.26 1.57 NaCl - O2(g) -57.18 -60.07 -2.89 O2 + O2(g) -56.90 -59.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23610,7 +23422,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.555 Adjusted to redox equilibrium + pe = 10.807 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 143430 Density (g/cm³) = 1.07083 Volume (L) = 1.04110 @@ -23618,11 +23430,11 @@ Reaction 1. Activity of water = 0.933 Ionic strength (mol/kgw) = 1.965e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.324e-16 + Total alkalinity (eq/kg) = 1.380e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.696e-09 + Electrical balance (eq) = 6.923e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 29 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23637,22 +23449,21 @@ Reaction 1. Cl 1.965e+00 Cl- 1.965e+00 1.146e+00 0.293 0.059 -0.234 19.28 HCl 6.399e-09 4.390e-08 -8.194 -7.358 0.836 (0) -H(0) 1.435e-16 - H2 7.176e-17 1.128e-16 -16.144 -15.948 0.197 28.61 +H(0) 2.712e-39 + H2 1.356e-39 2.132e-39 -38.868 -38.671 0.197 28.61 Na 1.965e+00 Na+ 1.965e+00 1.607e+00 0.293 0.206 -0.087 0.13 - NaOH 8.685e-18 1.365e-17 -17.061 -16.865 0.197 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.741 -60.545 0.197 30.40 +O(0) 1.016e-15 + O2 5.081e-16 7.988e-16 -15.294 -15.098 0.197 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -35.57 -38.67 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.30 0.27 1.57 NaCl - O2(g) -57.65 -60.54 -2.89 O2 + O2(g) -12.21 -15.10 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23688,7 +23499,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.280 Adjusted to redox equilibrium + pe = 1.347 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 144897 Density (g/cm³) = 1.07180 Volume (L) = 1.04168 @@ -23696,11 +23507,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 1.993e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.432e-17 + Total alkalinity (eq/kg) = -4.116e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 31 + Electrical balance (eq) = 8.262e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 49 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23715,22 +23526,21 @@ Reaction 1. Cl 1.993e+00 Cl- 1.993e+00 1.162e+00 0.300 0.065 -0.234 19.29 HCl 6.314e-09 4.452e-08 -8.200 -7.351 0.848 (0) -H(0) 4.018e-17 - H2 2.009e-17 3.179e-17 -16.697 -16.498 0.199 28.61 +H(0) 2.241e-20 + H2 1.121e-20 1.773e-20 -19.951 -19.751 0.199 28.61 Na 1.993e+00 Na+ 1.993e+00 1.637e+00 0.300 0.214 -0.086 0.14 - NaOH 8.773e-18 1.388e-17 -17.057 -16.858 0.199 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.645 -59.445 0.199 30.40 + O2 0.000e+00 0.000e+00 -53.138 -52.938 0.199 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.40 -16.50 -3.10 H2 + H2(g) -16.65 -19.75 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.55 -59.45 -2.89 O2 + O2(g) -50.05 -52.94 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23766,7 +23576,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.251 Adjusted to redox equilibrium + pe = -0.602 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 144949 Density (g/cm³) = 1.07183 Volume (L) = 1.04171 @@ -23774,11 +23584,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 1.994e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.562e-18 + Total alkalinity (eq/kg) = 1.767e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.939e-10 + Electrical balance (eq) = 1.709e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 8 + Iterations = 31 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -23793,22 +23603,21 @@ Reaction 1. Cl 1.994e+00 Cl- 1.994e+00 1.162e+00 0.300 0.065 -0.234 19.29 HCl 6.311e-09 4.454e-08 -8.200 -7.351 0.849 (0) -H(0) 3.510e-17 - H2 1.755e-17 2.777e-17 -16.756 -16.556 0.199 28.61 +H(0) 1.767e-16 + H2 8.837e-17 1.399e-16 -16.054 -15.854 0.199 28.61 Na 1.994e+00 Na+ 1.994e+00 1.638e+00 0.300 0.214 -0.085 0.14 - NaOH 8.776e-18 1.389e-17 -17.057 -16.857 0.199 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.528 -59.328 0.199 30.40 + O2 0.000e+00 0.000e+00 -60.932 -60.732 0.199 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.46 -16.56 -3.10 H2 + H2(g) -12.75 -15.85 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.44 -59.33 -2.89 O2 + O2(g) -57.84 -60.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23844,7 +23653,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -23852,9 +23661,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -23871,22 +23680,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -23922,7 +23730,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -23930,9 +23738,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -23949,22 +23757,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24000,7 +23807,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -24008,9 +23815,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -24027,22 +23834,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24078,7 +23884,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -24086,9 +23892,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -24105,22 +23911,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24156,7 +23961,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.292 Adjusted to redox equilibrium + pe = -0.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -24164,9 +23969,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.923e-16 + Total alkalinity (eq/kg) = 9.890e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.439e-15 + Electrical balance (eq) = 9.644e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -24183,22 +23988,21 @@ Reaction 1. Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.293e-09 4.467e-08 -8.201 -7.350 0.851 (0) -H(0) 4.250e-17 - H2 2.125e-17 3.368e-17 -16.673 -16.473 0.200 28.61 +H(0) 1.007e-16 + H2 5.033e-17 7.978e-17 -16.298 -16.098 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.795e-18 1.394e-17 -17.056 -16.856 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.696 -59.496 0.200 30.40 + O2 0.000e+00 0.000e+00 -60.445 -60.245 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.37 -16.47 -3.10 H2 + H2(g) -13.00 -16.10 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -56.60 -59.50 -2.89 O2 + O2(g) -57.35 -60.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24234,7 +24038,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 11.117 Adjusted to redox equilibrium + pe = -0.787 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145314 Density (g/cm³) = 1.07208 Volume (L) = 1.04185 @@ -24242,11 +24046,11 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.001e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.927e-17 + Total alkalinity (eq/kg) = 6.500e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.217e-14 + Electrical balance (eq) = 1.185e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24261,22 +24065,21 @@ Reaction 1. Cl 2.001e+00 Cl- 2.001e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.289e-09 4.469e-08 -8.201 -7.350 0.852 (0) -H(0) 6.463e-40 - H2 3.231e-40 5.122e-40 -39.491 -39.291 0.200 28.61 +H(0) 4.140e-16 + H2 2.070e-16 3.282e-16 -15.684 -15.484 0.200 28.61 Na 2.001e+00 Na+ 2.001e+00 1.645e+00 0.301 0.216 -0.085 0.14 - NaOH 8.799e-18 1.395e-17 -17.056 -16.855 0.200 (0) -O(0) 1.741e-14 - O2 8.704e-15 1.380e-14 -14.060 -13.860 0.200 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.674 -61.473 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.19 -39.29 -3.10 H2 + H2(g) -12.38 -15.48 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -10.97 -13.86 -2.89 O2 + O2(g) -58.58 -61.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24312,7 +24115,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.866 Adjusted to redox equilibrium + pe = -0.747 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145438 Density (g/cm³) = 1.07216 Volume (L) = 1.04190 @@ -24320,9 +24123,9 @@ Reaction 1. Activity of water = 0.932 Ionic strength (mol/kgw) = 2.003e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.832e-16 + Total alkalinity (eq/kg) = 2.575e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.930e-11 + Electrical balance (eq) = 1.197e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -24339,22 +24142,21 @@ Reaction 1. Cl 2.003e+00 Cl- 2.003e+00 1.167e+00 0.302 0.067 -0.235 19.29 HCl 6.282e-09 4.475e-08 -8.202 -7.349 0.853 (0) -H(0) 5.956e-16 - H2 2.978e-16 4.724e-16 -15.526 -15.326 0.200 28.61 +H(0) 3.454e-16 + H2 1.727e-16 2.739e-16 -15.763 -15.562 0.200 28.61 Na 2.003e+00 Na+ 2.003e+00 1.648e+00 0.302 0.217 -0.085 0.14 - NaOH 8.806e-18 1.397e-17 -17.055 -16.855 0.200 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.990 -61.790 0.200 30.40 + O2 0.000e+00 0.000e+00 -61.517 -61.317 0.200 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.22 -15.33 -3.10 H2 + H2(g) -12.46 -15.56 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -58.90 -61.79 -2.89 O2 + O2(g) -58.42 -61.32 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24390,7 +24192,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.573 Adjusted to redox equilibrium + pe = -0.553 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 148574 Density (g/cm³) = 1.07427 Volume (L) = 1.04317 @@ -24398,11 +24200,11 @@ Reaction 1. Activity of water = 0.930 Ionic strength (mol/kgw) = 2.064e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.106e-16 + Total alkalinity (eq/kg) = 1.360e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.722e-14 + Electrical balance (eq) = 2.090e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 9 + Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24417,22 +24219,21 @@ Reaction 1. Cl 2.064e+00 Cl- 2.064e+00 1.202e+00 0.315 0.080 -0.235 19.31 HCl 6.097e-09 4.610e-08 -8.215 -7.336 0.879 (0) -H(0) 1.527e-16 - H2 7.634e-17 1.228e-16 -16.117 -15.911 0.206 28.61 +H(0) 1.396e-16 + H2 6.978e-17 1.122e-16 -16.156 -15.950 0.206 28.61 Na 2.064e+00 Na+ 2.064e+00 1.712e+00 0.315 0.234 -0.081 0.16 - NaOH 8.997e-18 1.447e-17 -17.046 -16.839 0.206 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.828 -60.622 0.206 30.40 + O2 0.000e+00 0.000e+00 -60.750 -60.544 0.206 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.81 -15.91 -3.10 H2 + H2(g) -12.85 -15.95 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.26 0.31 1.57 NaCl - O2(g) -57.73 -60.62 -2.89 O2 + O2(g) -57.65 -60.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24468,7 +24269,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.612 Adjusted to redox equilibrium + pe = -0.882 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 149823 Density (g/cm³) = 1.07512 Volume (L) = 1.04368 @@ -24476,10 +24277,10 @@ Reaction 1. Activity of water = 0.929 Ionic strength (mol/kgw) = 2.089e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.476e-16 + Total alkalinity (eq/kg) = 2.629e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.691e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.851e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24495,22 +24296,21 @@ Reaction 1. Cl 2.089e+00 Cl- 2.089e+00 1.216e+00 0.320 0.085 -0.235 19.32 HCl 6.022e-09 4.664e-08 -8.220 -7.331 0.889 (0) -H(0) 1.817e-16 - H2 9.084e-17 1.469e-16 -16.042 -15.833 0.209 28.61 +H(0) 6.308e-16 + H2 3.154e-16 5.102e-16 -15.501 -15.292 0.209 28.61 Na 2.089e+00 Na+ 2.089e+00 1.739e+00 0.320 0.240 -0.080 0.17 - NaOH 9.073e-18 1.468e-17 -17.042 -16.833 0.209 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.987 -60.778 0.209 30.40 + O2 0.000e+00 0.000e+00 -62.068 -61.860 0.209 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -12.19 -15.29 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.25 0.32 1.57 NaCl - O2(g) -57.89 -60.78 -2.89 O2 + O2(g) -58.97 -61.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24546,7 +24346,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.554 Adjusted to redox equilibrium + pe = -0.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 157841 Density (g/cm³) = 1.08071 Volume (L) = 1.04709 @@ -24554,11 +24354,11 @@ Reaction 1. Activity of water = 0.923 Ionic strength (mol/kgw) = 2.252e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.549e-17 + Total alkalinity (eq/kg) = 1.263e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.505e-13 + Electrical balance (eq) = 7.205e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24573,22 +24373,21 @@ Reaction 1. Cl 2.252e+00 Cl- 2.252e+00 1.307e+00 0.353 0.116 -0.236 19.36 HCl 5.533e-09 5.027e-08 -8.257 -7.299 0.958 (0) -H(0) 1.348e-16 - H2 6.741e-17 1.132e-16 -16.171 -15.946 0.225 28.61 +H(0) 1.275e-16 + H2 6.373e-17 1.070e-16 -16.196 -15.970 0.225 28.61 Na 2.252e+00 Na+ 2.252e+00 1.919e+00 0.353 0.283 -0.070 0.23 - NaOH 9.567e-18 1.607e-17 -17.019 -16.794 0.225 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.782 -60.557 0.225 30.40 + O2 0.000e+00 0.000e+00 -60.733 -60.508 0.225 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -12.87 -15.97 -3.10 H2 H2O(g) -1.54 -0.03 1.50 H2O Halite -1.17 0.40 1.57 NaCl - O2(g) -57.66 -60.56 -2.89 O2 + O2(g) -57.62 -60.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24624,7 +24423,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = 11.510 Adjusted to redox equilibrium + pe = -1.035 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 160869 Density (g/cm³) = 1.08288 Volume (L) = 1.04843 @@ -24632,11 +24431,11 @@ Reaction 1. Activity of water = 0.921 Ionic strength (mol/kgw) = 2.316e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.030e-16 + Total alkalinity (eq/kg) = 1.282e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.866e-09 + Electrical balance (eq) = 9.401e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24651,22 +24450,21 @@ Reaction 1. Cl 2.316e+00 Cl- 2.316e+00 1.344e+00 0.365 0.128 -0.236 19.38 HCl 5.345e-09 5.169e-08 -8.272 -7.287 0.986 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.305 -40.073 0.232 28.61 +H(0) 1.219e-15 + H2 6.093e-16 1.038e-15 -15.215 -14.984 0.232 28.61 Na 2.316e+00 Na+ 2.316e+00 1.992e+00 0.365 0.299 -0.065 0.26 - NaOH 9.756e-18 1.663e-17 -17.011 -16.779 0.232 (0) -O(0) 5.817e-13 - O2 2.909e-13 4.958e-13 -12.536 -12.305 0.232 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.716 -62.484 0.232 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.97 -40.07 -3.10 H2 + H2(g) -11.88 -14.98 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.14 0.43 1.57 NaCl - O2(g) -9.41 -12.30 -2.89 O2 + O2(g) -59.59 -62.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24702,7 +24500,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.915 Adjusted to redox equilibrium + pe = -0.873 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 163241 Density (g/cm³) = 1.08461 Volume (L) = 1.04951 @@ -24710,11 +24508,11 @@ Reaction 1. Activity of water = 0.920 Ionic strength (mol/kgw) = 2.367e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.550e-16 + Total alkalinity (eq/kg) = 1.468e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.698e-10 + Electrical balance (eq) = 2.330e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24729,22 +24527,21 @@ Reaction 1. Cl 2.367e+00 Cl- 2.367e+00 1.373e+00 0.374 0.138 -0.237 19.39 HCl 5.196e-09 5.284e-08 -8.284 -7.277 1.007 (0) -H(0) 6.942e-16 - H2 3.471e-16 5.986e-16 -15.460 -15.223 0.237 28.61 +H(0) 5.707e-16 + H2 2.854e-16 4.921e-16 -15.545 -15.308 0.237 28.61 Na 2.367e+00 Na+ 2.367e+00 2.051e+00 0.374 0.312 -0.062 0.27 - NaOH 9.905e-18 1.708e-17 -17.004 -16.767 0.237 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.244 -62.007 0.237 30.40 + O2 0.000e+00 0.000e+00 -62.074 -61.837 0.237 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.12 -15.22 -3.10 H2 + H2(g) -12.21 -15.31 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.12 0.45 1.57 NaCl - O2(g) -59.11 -62.01 -2.89 O2 + O2(g) -58.94 -61.84 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24780,7 +24577,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.205 Adjusted to redox equilibrium + pe = 0.184 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 164641 Density (g/cm³) = 1.08565 Volume (L) = 1.05015 @@ -24788,11 +24585,11 @@ Reaction 1. Activity of water = 0.918 Ionic strength (mol/kgw) = 2.397e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.766e-16 + Total alkalinity (eq/kg) = -1.065e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.714e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Electrical balance (eq) = 5.553e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 16 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24807,22 +24604,21 @@ Reaction 1. Cl 2.397e+00 Cl- 2.397e+00 1.390e+00 0.380 0.143 -0.237 19.40 HCl 5.109e-09 5.352e-08 -8.292 -7.271 1.020 (0) -H(0) 2.619e-17 - H2 1.309e-17 2.274e-17 -16.883 -16.643 0.240 28.61 +H(0) 4.373e-18 + H2 2.187e-18 3.797e-18 -17.660 -17.421 0.240 28.61 Na 2.397e+00 Na+ 2.397e+00 2.087e+00 0.380 0.319 -0.060 0.28 - NaOH 9.994e-18 1.736e-17 -17.000 -16.761 0.240 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.407 -59.167 0.240 30.40 + O2 0.000e+00 0.000e+00 -57.852 -57.613 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.54 -16.64 -3.10 H2 + H2(g) -14.32 -17.42 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.11 0.46 1.57 NaCl - O2(g) -56.27 -59.17 -2.89 O2 + O2(g) -54.72 -57.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24858,7 +24654,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.474 Adjusted to redox equilibrium + pe = -0.594 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 165974 Density (g/cm³) = 1.08664 Volume (L) = 1.05077 @@ -24866,11 +24662,11 @@ Reaction 1. Activity of water = 0.918 Ionic strength (mol/kgw) = 2.426e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.382e-16 + Total alkalinity (eq/kg) = -5.502e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.203e-11 + Electrical balance (eq) = 4.346e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24885,22 +24681,21 @@ Reaction 1. Cl 2.426e+00 Cl- 2.426e+00 1.407e+00 0.385 0.148 -0.237 19.41 HCl 5.025e-09 5.418e-08 -8.299 -7.266 1.033 (0) -H(0) 8.963e-17 - H2 4.482e-17 7.836e-17 -16.349 -16.106 0.243 28.61 +H(0) 1.563e-16 + H2 7.814e-17 1.366e-16 -16.107 -15.864 0.243 28.61 Na 2.426e+00 Na+ 2.426e+00 2.121e+00 0.385 0.327 -0.058 0.29 - NaOH 1.008e-17 1.762e-17 -16.997 -16.754 0.243 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.486 -60.243 0.243 30.40 + O2 0.000e+00 0.000e+00 -60.968 -60.726 0.243 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.00 -16.11 -3.10 H2 + H2(g) -12.76 -15.86 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.10 0.47 1.57 NaCl - O2(g) -57.35 -60.24 -2.89 O2 + O2(g) -57.83 -60.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -24936,7 +24731,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.646 Adjusted to redox equilibrium + pe = 11.082 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 168075 Density (g/cm³) = 1.08821 Volume (L) = 1.05177 @@ -24944,11 +24739,11 @@ Reaction 1. Activity of water = 0.916 Ionic strength (mol/kgw) = 2.473e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.584e-16 + Total alkalinity (eq/kg) = -1.554e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.276e-10 + Electrical balance (eq) = 4.233e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -24963,22 +24758,21 @@ Reaction 1. Cl 2.473e+00 Cl- 2.473e+00 1.433e+00 0.393 0.156 -0.237 19.42 HCl 4.892e-09 5.523e-08 -8.310 -7.258 1.053 (0) -H(0) 1.961e-16 - H2 9.803e-17 1.733e-16 -16.009 -15.761 0.247 28.61 +H(0) 6.885e-40 + H2 3.443e-40 6.084e-40 -39.463 -39.216 0.247 28.61 Na 2.473e+00 Na+ 2.473e+00 2.178e+00 0.393 0.338 -0.055 0.31 - NaOH 1.021e-17 1.805e-17 -16.991 -16.744 0.247 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.181 -60.934 0.247 30.40 +O(0) 1.069e-14 + O2 5.345e-15 9.447e-15 -14.272 -14.025 0.247 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.66 -15.76 -3.10 H2 + H2(g) -36.11 -39.22 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.08 0.49 1.57 NaCl - O2(g) -58.04 -60.93 -2.89 O2 + O2(g) -11.13 -14.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25014,7 +24808,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -25022,11 +24816,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25041,22 +24835,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25092,7 +24885,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -25100,11 +24893,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25119,22 +24912,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25170,7 +24962,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.584 Adjusted to redox equilibrium + pe = 10.574 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169255 Density (g/cm³) = 1.08911 Volume (L) = 1.05233 @@ -25178,11 +24970,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.397e-16 + Total alkalinity (eq/kg) = -1.942e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.222e-10 + Electrical balance (eq) = 5.838e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25197,22 +24989,21 @@ Reaction 1. Cl 2.500e+00 Cl- 2.500e+00 1.449e+00 0.398 0.161 -0.237 19.43 HCl 4.818e-09 5.583e-08 -8.317 -7.253 1.064 (0) -H(0) 1.469e-16 - H2 7.346e-17 1.306e-16 -16.134 -15.884 0.250 28.61 +H(0) 7.089e-39 + H2 3.545e-39 6.303e-39 -38.450 -38.200 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.029e-17 1.830e-17 -16.988 -16.738 0.250 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.939 -60.689 0.250 30.40 +O(0) 9.879e-17 + O2 4.940e-17 8.784e-17 -16.306 -16.056 0.250 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.78 -15.88 -3.10 H2 + H2(g) -35.10 -38.20 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -57.80 -60.69 -2.89 O2 + O2(g) -13.16 -16.06 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25248,7 +25039,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.267 Adjusted to redox equilibrium + pe = -0.403 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 169867 Density (g/cm³) = 1.08958 Volume (L) = 1.05263 @@ -25256,11 +25047,11 @@ Reaction 1. Activity of water = 0.915 Ionic strength (mol/kgw) = 2.514e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.711e-16 + Total alkalinity (eq/kg) = 5.813e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.488e-12 + Electrical balance (eq) = 3.278e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25275,22 +25066,21 @@ Reaction 1. Cl 2.514e+00 Cl- 2.514e+00 1.457e+00 0.400 0.163 -0.237 19.43 HCl 4.779e-09 5.614e-08 -8.321 -7.251 1.070 (0) -H(0) 2.904e-38 - H2 1.452e-38 2.590e-38 -37.838 -37.587 0.251 28.61 +H(0) 6.349e-17 + H2 3.174e-17 5.663e-17 -16.498 -16.247 0.251 28.61 Na 2.514e+00 Na+ 2.514e+00 2.227e+00 0.400 0.348 -0.053 0.32 - NaOH 1.033e-17 1.842e-17 -16.986 -16.735 0.251 (0) -O(0) 5.827e-18 - O2 2.914e-18 5.198e-18 -17.536 -17.284 0.251 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.215 -59.964 0.251 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.49 -37.59 -3.10 H2 + H2(g) -13.15 -16.25 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -1.06 0.51 1.57 NaCl - O2(g) -14.39 -17.28 -2.89 O2 + O2(g) -57.07 -59.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25326,7 +25116,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -1.191 Adjusted to redox equilibrium + pe = 0.078 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 178526 Density (g/cm³) = 1.09639 Volume (L) = 1.05699 @@ -25334,11 +25124,11 @@ Reaction 1. Activity of water = 0.908 Ionic strength (mol/kgw) = 2.719e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.178e-17 + Total alkalinity (eq/kg) = -2.135e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.922e-10 + Electrical balance (eq) = 3.750e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25353,22 +25143,21 @@ Reaction 1. Cl 2.719e+00 Cl- 2.719e+00 1.574e+00 0.434 0.197 -0.237 19.48 HCl 4.232e-09 6.076e-08 -8.373 -7.216 1.157 (0) -H(0) 2.290e-15 - H2 1.145e-15 2.141e-15 -14.941 -14.669 0.272 28.61 +H(0) 6.629e-18 + H2 3.314e-18 6.198e-18 -17.480 -17.208 0.272 28.61 Na 2.719e+00 Na+ 2.719e+00 2.485e+00 0.434 0.395 -0.039 0.39 - NaOH 1.089e-17 2.037e-17 -16.963 -16.691 0.272 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.397 -63.125 0.272 30.40 + O2 0.000e+00 0.000e+00 -58.321 -58.049 0.272 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.57 -14.67 -3.10 H2 + H2(g) -14.11 -17.21 -3.10 H2 H2O(g) -1.54 -0.04 1.50 H2O Halite -0.98 0.59 1.57 NaCl - O2(g) -60.23 -63.13 -2.89 O2 + O2(g) -55.16 -58.05 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25404,7 +25193,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -0.749 Adjusted to redox equilibrium + pe = -0.691 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 180301 Density (g/cm³) = 1.09784 Volume (L) = 1.05793 @@ -25412,11 +25201,11 @@ Reaction 1. Activity of water = 0.906 Ionic strength (mol/kgw) = 2.762e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.928e-16 + Total alkalinity (eq/kg) = 1.183e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.789e-09 + Electrical balance (eq) = 4.927e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25431,22 +25220,21 @@ Reaction 1. Cl 2.762e+00 Cl- 2.762e+00 1.599e+00 0.441 0.204 -0.237 19.49 HCl 4.120e-09 6.175e-08 -8.385 -7.209 1.176 (0) -H(0) 2.963e-16 - H2 1.482e-16 2.799e-16 -15.829 -15.553 0.276 28.61 +H(0) 2.271e-16 + H2 1.136e-16 2.145e-16 -15.945 -15.669 0.276 28.61 Na 2.762e+00 Na+ 2.762e+00 2.542e+00 0.441 0.405 -0.036 0.41 - NaOH 1.101e-17 2.080e-17 -16.958 -16.682 0.276 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.636 -61.360 0.276 30.40 + O2 0.000e+00 0.000e+00 -61.405 -61.129 0.276 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.45 -15.55 -3.10 H2 + H2(g) -12.57 -15.67 -3.10 H2 H2O(g) -1.55 -0.04 1.50 H2O Halite -0.96 0.61 1.57 NaCl - O2(g) -58.47 -61.36 -2.89 O2 + O2(g) -58.24 -61.13 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25482,7 +25270,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.550 Adjusted to redox equilibrium + pe = -0.974 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 182257 Density (g/cm³) = 1.09946 Volume (L) = 1.05899 @@ -25490,11 +25278,11 @@ Reaction 1. Activity of water = 0.904 Ionic strength (mol/kgw) = 2.812e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.957e-16 + Total alkalinity (eq/kg) = 4.354e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.362e-15 + Electrical balance (eq) = 1.387e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25509,22 +25297,21 @@ Reaction 1. Cl 2.812e+00 Cl- 2.812e+00 1.628e+00 0.449 0.212 -0.237 19.50 HCl 3.997e-09 6.286e-08 -8.398 -7.202 1.197 (0) -H(0) 1.174e-16 - H2 5.869e-17 1.121e-16 -16.231 -15.950 0.281 28.61 +H(0) 8.278e-16 + H2 4.139e-16 7.908e-16 -15.383 -15.102 0.281 28.61 Na 2.812e+00 Na+ 2.812e+00 2.607e+00 0.449 0.416 -0.033 0.42 - NaOH 1.114e-17 2.129e-17 -16.953 -16.672 0.281 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.848 -60.567 0.281 30.40 + O2 0.000e+00 0.000e+00 -62.545 -62.263 0.281 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.85 -15.95 -3.10 H2 + H2(g) -12.00 -15.10 -3.10 H2 H2O(g) -1.55 -0.04 1.50 H2O Halite -0.94 0.63 1.57 NaCl - O2(g) -57.67 -60.57 -2.89 O2 + O2(g) -59.37 -62.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25560,7 +25347,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.739 Adjusted to redox equilibrium + pe = -0.809 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 185635 Density (g/cm³) = 1.10231 Volume (L) = 1.06086 @@ -25568,11 +25355,11 @@ Reaction 1. Activity of water = 0.901 Ionic strength (mol/kgw) = 2.899e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.746e-16 + Total alkalinity (eq/kg) = 3.645e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.396e-09 + Electrical balance (eq) = 1.207e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25587,22 +25374,21 @@ Reaction 1. Cl 2.899e+00 Cl- 2.899e+00 1.678e+00 0.462 0.225 -0.237 19.52 HCl 3.786e-09 6.483e-08 -8.422 -7.188 1.234 (0) -H(0) 2.746e-16 - H2 1.373e-16 2.677e-16 -15.862 -15.572 0.290 28.61 +H(0) 3.795e-16 + H2 1.898e-16 3.699e-16 -15.722 -15.432 0.290 28.61 Na 2.899e+00 Na+ 2.899e+00 2.724e+00 0.462 0.435 -0.027 0.45 - NaOH 1.137e-17 2.217e-17 -16.944 -16.654 0.290 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.615 -61.325 0.290 30.40 + O2 0.000e+00 0.000e+00 -61.896 -61.606 0.290 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.47 -15.57 -3.10 H2 + H2(g) -12.33 -15.43 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.91 0.66 1.57 NaCl - O2(g) -58.43 -61.33 -2.89 O2 + O2(g) -58.71 -61.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25638,7 +25424,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.073 Adjusted to redox equilibrium + pe = 0.052 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 186813 Density (g/cm³) = 1.10333 Volume (L) = 1.06153 @@ -25646,11 +25432,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.806e-16 + Total alkalinity (eq/kg) = -1.963e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.509e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Electrical balance (eq) = -4.400e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25665,22 +25451,21 @@ Reaction 1. Cl 2.930e+00 Cl- 2.930e+00 1.696e+00 0.467 0.230 -0.237 19.53 HCl 3.712e-09 6.554e-08 -8.430 -7.184 1.247 (0) -H(0) 1.268e-17 - H2 6.339e-18 1.245e-17 -17.198 -16.905 0.293 28.61 +H(0) 7.129e-18 + H2 3.564e-18 6.997e-18 -17.448 -17.155 0.293 28.61 Na 2.930e+00 Na+ 2.930e+00 2.767e+00 0.467 0.442 -0.025 0.46 - NaOH 1.145e-17 2.249e-17 -16.941 -16.648 0.293 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.954 -58.661 0.293 30.40 + O2 0.000e+00 0.000e+00 -58.454 -58.161 0.293 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.80 -16.90 -3.10 H2 + H2(g) -14.05 -17.16 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.90 0.67 1.57 NaCl - O2(g) -55.77 -58.66 -2.89 O2 + O2(g) -55.27 -58.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25716,7 +25501,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.710 Adjusted to redox equilibrium + pe = 10.075 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 187224 Density (g/cm³) = 1.10368 Volume (L) = 1.06177 @@ -25724,11 +25509,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.941e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.598e-17 + Total alkalinity (eq/kg) = 2.478e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.399e-11 + Electrical balance (eq) = 9.025e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 36 + Iterations = 46 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25743,22 +25528,21 @@ Reaction 1. Cl 2.941e+00 Cl- 2.940e+00 1.703e+00 0.468 0.231 -0.237 19.53 HCl 3.687e-09 6.579e-08 -8.433 -7.182 1.251 (0) -H(0) 3.437e-39 - H2 1.719e-39 3.382e-39 -38.765 -38.471 0.294 28.61 +H(0) 6.405e-38 + H2 3.202e-38 6.303e-38 -37.495 -37.200 0.294 28.61 Na 2.941e+00 Na+ 2.941e+00 2.782e+00 0.468 0.444 -0.024 0.46 - NaOH 1.148e-17 2.260e-17 -16.940 -16.646 0.294 (0) -O(0) 2.999e-16 - O2 1.500e-16 2.952e-16 -15.824 -15.530 0.294 30.40 +O(0) 8.638e-19 + O2 4.319e-19 8.500e-19 -18.365 -18.071 0.294 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.37 -38.47 -3.10 H2 + H2(g) -34.10 -37.20 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.89 0.68 1.57 NaCl - O2(g) -12.64 -15.53 -2.89 O2 + O2(g) -15.18 -18.07 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25794,7 +25578,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 0.328 Adjusted to redox equilibrium + pe = -0.098 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 187634 Density (g/cm³) = 1.10404 Volume (L) = 1.06200 @@ -25802,11 +25586,11 @@ Reaction 1. Activity of water = 0.900 Ionic strength (mol/kgw) = 2.951e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.453e-16 + Total alkalinity (eq/kg) = -2.256e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.691e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 1.591e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 20 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25821,22 +25605,21 @@ Reaction 1. Cl 2.951e+00 Cl- 2.951e+00 1.709e+00 0.470 0.233 -0.237 19.54 HCl 3.661e-09 6.604e-08 -8.436 -7.180 1.256 (0) -H(0) 1.996e-18 - H2 9.982e-19 1.970e-18 -18.001 -17.706 0.295 28.61 +H(0) 1.419e-17 + H2 7.094e-18 1.400e-17 -17.149 -16.854 0.295 28.61 Na 2.951e+00 Na+ 2.951e+00 2.797e+00 0.470 0.447 -0.023 0.47 - NaOH 1.151e-17 2.271e-17 -16.939 -16.644 0.295 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.356 -57.061 0.295 30.40 + O2 0.000e+00 0.000e+00 -59.059 -58.764 0.295 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.60 -17.71 -3.10 H2 + H2(g) -13.75 -16.85 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.89 0.68 1.57 NaCl - O2(g) -54.17 -57.06 -2.89 O2 + O2(g) -55.87 -58.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25872,7 +25655,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.575 Adjusted to redox equilibrium + pe = -0.894 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 188830 Density (g/cm³) = 1.10508 Volume (L) = 1.06270 @@ -25880,11 +25663,11 @@ Reaction 1. Activity of water = 0.899 Ionic strength (mol/kgw) = 2.984e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.530e-16 + Total alkalinity (eq/kg) = 2.079e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.699e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Electrical balance (eq) = -2.410e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25899,22 +25682,21 @@ Reaction 1. Cl 2.984e+00 Cl- 2.984e+00 1.728e+00 0.475 0.238 -0.237 19.54 HCl 3.587e-09 6.677e-08 -8.445 -7.175 1.270 (0) -H(0) 6.333e-39 - H2 3.167e-39 6.294e-39 -38.499 -38.201 0.298 28.61 +H(0) 5.498e-16 + H2 2.749e-16 5.464e-16 -15.561 -15.262 0.298 28.61 Na 2.984e+00 Na+ 2.984e+00 2.842e+00 0.475 0.454 -0.021 0.48 - NaOH 1.159e-17 2.304e-17 -16.936 -16.637 0.298 (0) -O(0) 8.548e-17 - O2 4.274e-17 8.496e-17 -16.369 -16.071 0.298 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.246 -61.948 0.298 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.10 -38.20 -3.10 H2 + H2(g) -12.16 -15.26 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.88 0.69 1.57 NaCl - O2(g) -13.18 -16.07 -2.89 O2 + O2(g) -59.06 -61.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25950,7 +25732,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -25958,11 +25740,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -25977,22 +25759,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26028,7 +25809,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -26036,11 +25817,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26055,22 +25836,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26106,7 +25886,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -26114,11 +25894,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26133,22 +25913,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26184,7 +25963,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.512 Adjusted to redox equilibrium + pe = 10.909 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 189438 Density (g/cm³) = 1.10562 Volume (L) = 1.06305 @@ -26192,11 +25971,11 @@ Reaction 1. Activity of water = 0.898 Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.397e-17 + Total alkalinity (eq/kg) = 1.434e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.616e-14 + Electrical balance (eq) = 2.096e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26211,22 +25990,21 @@ Reaction 1. Cl 3.000e+00 Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 HCl 3.550e-09 6.714e-08 -8.450 -7.173 1.277 (0) -H(0) 9.426e-17 - H2 4.713e-17 9.404e-17 -16.327 -16.027 0.300 28.61 +H(0) 1.357e-39 + H2 6.787e-40 1.354e-39 -39.168 -38.868 0.300 28.61 Na 3.000e+00 Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 - NaOH 1.164e-17 2.322e-17 -16.934 -16.634 0.300 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.720 -60.420 0.300 30.40 +O(0) 1.837e-15 + O2 9.187e-16 1.833e-15 -15.037 -14.737 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.93 -16.03 -3.10 H2 + H2(g) -35.77 -38.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.87 0.70 1.57 NaCl - O2(g) -57.53 -60.42 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26262,7 +26040,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.731 Adjusted to redox equilibrium + pe = -0.383 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 190280 Density (g/cm³) = 1.10636 Volume (L) = 1.06355 @@ -26270,11 +26048,11 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.023e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.317e-16 + Total alkalinity (eq/kg) = 4.687e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.647e-13 + Electrical balance (eq) = 3.690e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 25 + Iterations = 38 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26289,22 +26067,21 @@ Reaction 1. Cl 3.023e+00 Cl- 3.023e+00 1.751e+00 0.480 0.243 -0.237 19.55 HCl 3.498e-09 6.766e-08 -8.456 -7.170 1.287 (0) -H(0) 3.061e-39 - H2 1.531e-39 3.070e-39 -38.815 -38.513 0.302 28.61 +H(0) 5.188e-17 + H2 2.594e-17 5.203e-17 -16.586 -16.284 0.302 28.61 Na 3.023e+00 Na+ 3.023e+00 2.898e+00 0.480 0.462 -0.018 0.49 - NaOH 1.169e-17 2.346e-17 -16.932 -16.630 0.302 (0) -O(0) 3.550e-16 - O2 1.775e-16 3.560e-16 -15.751 -15.449 0.302 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.209 -59.907 0.302 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.41 -38.51 -3.10 H2 + H2(g) -13.18 -16.28 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -12.56 -15.45 -2.89 O2 + O2(g) -57.01 -59.91 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26340,7 +26117,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.468 Adjusted to redox equilibrium + pe = 10.448 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 190295 Density (g/cm³) = 1.10638 Volume (L) = 1.06356 @@ -26348,11 +26125,11 @@ Reaction 1. Activity of water = 0.897 Ionic strength (mol/kgw) = 3.023e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.875e-17 + Total alkalinity (eq/kg) = 1.949e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.136e-08 + Electrical balance (eq) = 1.311e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 28 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26367,22 +26144,21 @@ Reaction 1. Cl 3.023e+00 Cl- 3.023e+00 1.751e+00 0.480 0.243 -0.237 19.55 HCl 3.497e-09 6.767e-08 -8.456 -7.170 1.287 (0) -H(0) 7.653e-17 - H2 3.826e-17 7.676e-17 -16.417 -16.115 0.302 28.61 +H(0) 1.127e-38 + H2 5.635e-39 1.130e-38 -38.249 -37.947 0.302 28.61 Na 3.023e+00 Na+ 3.023e+00 2.898e+00 0.480 0.462 -0.018 0.49 - NaOH 1.170e-17 2.346e-17 -16.932 -16.630 0.302 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.547 -60.244 0.302 30.40 +O(0) 2.618e-17 + O2 1.309e-17 2.626e-17 -16.883 -16.581 0.302 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.01 -16.11 -3.10 H2 + H2(g) -34.85 -37.95 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -57.35 -60.24 -2.89 O2 + O2(g) -13.69 -16.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26418,7 +26194,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.609 Adjusted to redox equilibrium + pe = -0.556 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 191257 Density (g/cm³) = 1.10723 Volume (L) = 1.06413 @@ -26426,11 +26202,11 @@ Reaction 1. Activity of water = 0.896 Ionic strength (mol/kgw) = 3.050e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.084e-18 + Total alkalinity (eq/kg) = 7.383e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.335e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 11 + Electrical balance (eq) = -1.303e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26445,22 +26221,21 @@ Reaction 1. Cl 3.050e+00 Cl- 3.050e+00 1.767e+00 0.484 0.247 -0.237 19.56 HCl 3.437e-09 6.828e-08 -8.464 -7.166 1.298 (0) -H(0) 1.461e-16 - H2 7.307e-17 1.475e-16 -16.136 -15.831 0.305 28.61 +H(0) 1.141e-16 + H2 5.704e-17 1.151e-16 -16.244 -15.939 0.305 28.61 Na 3.050e+00 Na+ 3.050e+00 2.936e+00 0.484 0.468 -0.017 0.50 - NaOH 1.176e-17 2.374e-17 -16.929 -16.624 0.305 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.118 -60.813 0.305 30.40 + O2 0.000e+00 0.000e+00 -60.902 -60.597 0.305 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.73 -15.83 -3.10 H2 + H2(g) -12.84 -15.94 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.86 0.71 1.57 NaCl - O2(g) -57.92 -60.81 -2.89 O2 + O2(g) -57.71 -60.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26496,7 +26271,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.704 Adjusted to redox equilibrium + pe = -0.495 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 192833 Density (g/cm³) = 1.10866 Volume (L) = 1.06509 @@ -26504,11 +26279,11 @@ Reaction 1. Activity of water = 0.895 Ionic strength (mol/kgw) = 3.094e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.201e-16 + Total alkalinity (eq/kg) = -6.188e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.500e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Electrical balance (eq) = 3.340e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26523,22 +26298,21 @@ Reaction 1. Cl 3.094e+00 Cl- 3.094e+00 1.793e+00 0.491 0.253 -0.237 19.57 HCl 3.341e-09 6.928e-08 -8.476 -7.159 1.317 (0) -H(0) 2.235e-16 - H2 1.117e-16 2.278e-16 -15.952 -15.642 0.309 28.61 +H(0) 8.536e-17 + H2 4.268e-17 8.702e-17 -16.370 -16.060 0.309 28.61 Na 3.094e+00 Na+ 3.094e+00 2.999e+00 0.491 0.477 -0.014 0.51 - NaOH 1.187e-17 2.421e-17 -16.925 -16.616 0.309 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.501 -61.192 0.309 30.40 + O2 0.000e+00 0.000e+00 -60.665 -60.356 0.309 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.54 -15.64 -3.10 H2 + H2(g) -12.96 -16.06 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.84 0.73 1.57 NaCl - O2(g) -58.30 -61.19 -2.89 O2 + O2(g) -57.46 -60.36 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26574,7 +26348,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.151 Adjusted to redox equilibrium + pe = -0.011 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 197369 Density (g/cm³) = 1.11286 Volume (L) = 1.06794 @@ -26582,11 +26356,11 @@ Reaction 1. Activity of water = 0.890 Ionic strength (mol/kgw) = 3.225e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.000e-17 + Total alkalinity (eq/kg) = 4.295e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.915e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Electrical balance (eq) = 5.426e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 10 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26601,22 +26375,21 @@ Reaction 1. Cl 3.225e+00 Cl- 3.225e+00 1.870e+00 0.509 0.272 -0.237 19.60 HCl 3.065e-09 7.228e-08 -8.514 -7.141 1.373 (0) -H(0) 1.702e-17 - H2 8.509e-18 1.788e-17 -17.070 -16.748 0.322 28.61 +H(0) 8.909e-18 + H2 4.455e-18 9.361e-18 -17.351 -17.029 0.322 28.61 Na 3.225e+00 Na+ 3.225e+00 3.192e+00 0.509 0.504 -0.004 0.55 - NaOH 1.220e-17 2.564e-17 -16.914 -16.591 0.322 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.308 -58.986 0.322 30.40 + O2 0.000e+00 0.000e+00 -58.746 -58.423 0.322 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.65 -16.75 -3.10 H2 + H2(g) -13.93 -17.03 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.79 0.78 1.57 NaCl - O2(g) -56.09 -58.99 -2.89 O2 + O2(g) -55.53 -58.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26652,7 +26425,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.514 Adjusted to redox equilibrium + pe = -0.497 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 198476 Density (g/cm³) = 1.11392 Volume (L) = 1.06866 @@ -26660,11 +26433,11 @@ Reaction 1. Activity of water = 0.889 Ionic strength (mol/kgw) = 3.258e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.652e-17 + Total alkalinity (eq/kg) = 2.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.412e-12 + Electrical balance (eq) = 7.748e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26679,22 +26452,21 @@ Reaction 1. Cl 3.258e+00 Cl- 3.258e+00 1.889e+00 0.513 0.276 -0.237 19.61 HCl 2.999e-09 7.303e-08 -8.523 -7.136 1.387 (0) -H(0) 8.981e-17 - H2 4.490e-17 9.508e-17 -16.348 -16.022 0.326 28.61 +H(0) 8.309e-17 + H2 4.155e-17 8.797e-17 -16.381 -16.056 0.326 28.61 Na 3.258e+00 Na+ 3.258e+00 3.242e+00 0.513 0.511 -0.002 0.56 - NaOH 1.228e-17 2.600e-17 -16.911 -16.585 0.326 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.764 -60.438 0.326 30.40 + O2 0.000e+00 0.000e+00 -60.696 -60.371 0.326 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.92 -16.02 -3.10 H2 + H2(g) -12.95 -16.06 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O Halite -0.78 0.79 1.57 NaCl - O2(g) -57.55 -60.44 -2.89 O2 + O2(g) -57.48 -60.37 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26730,7 +26502,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.591 Adjusted to redox equilibrium + pe = -1.189 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 204085 Density (g/cm³) = 1.11945 Volume (L) = 1.07248 @@ -26738,11 +26510,11 @@ Reaction 1. Activity of water = 0.883 Ionic strength (mol/kgw) = 3.432e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.530e-17 + Total alkalinity (eq/kg) = 2.625e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.524e-16 + Electrical balance (eq) = 1.152e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 45 + Iterations = 37 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26757,22 +26529,21 @@ Reaction 1. Cl 3.432e+00 Cl- 3.432e+00 1.993e+00 0.536 0.299 -0.236 19.64 HCl 2.667e-09 7.703e-08 -8.574 -7.113 1.461 (0) -H(0) 1.232e-16 - H2 6.159e-17 1.357e-16 -16.211 -15.867 0.343 28.61 +H(0) 1.929e-15 + H2 9.646e-16 2.126e-15 -15.016 -14.672 0.343 28.61 Na 3.432e+00 Na+ 3.432e+00 3.513e+00 0.536 0.546 0.010 0.61 - NaOH 1.270e-17 2.799e-17 -16.896 -16.553 0.343 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.096 -60.753 0.343 30.40 + O2 0.000e+00 0.000e+00 -63.486 -63.143 0.343 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.77 -15.87 -3.10 H2 + H2(g) -11.57 -14.67 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.72 0.85 1.57 NaCl - O2(g) -57.86 -60.75 -2.89 O2 + O2(g) -60.25 -63.14 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26802,13 +26573,13 @@ Reaction 1. Elements Molality Moles - Cl 3.487e+00 3.487e+00 + Cl 3.487e+00 3.486e+00 Na 3.487e+00 3.487e+00 ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.455 Adjusted to redox equilibrium + pe = -0.870 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 205758 Density (g/cm³) = 1.12116 Volume (L) = 1.07367 @@ -26816,11 +26587,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.463e-16 + Total alkalinity (eq/kg) = 2.669e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.126e-10 + Electrical balance (eq) = 3.864e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 32 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26835,22 +26606,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 2.025e+00 0.542 0.307 -0.236 19.65 HCl 2.569e-09 7.828e-08 -8.590 -7.106 1.484 (0) -H(0) 6.482e-17 - H2 3.241e-17 7.233e-17 -16.489 -16.141 0.349 28.61 +H(0) 4.393e-16 + H2 2.197e-16 4.902e-16 -15.658 -15.310 0.349 28.61 Na 3.487e+00 Na+ 3.487e+00 3.601e+00 0.542 0.556 0.014 0.63 - NaOH 1.283e-17 2.863e-17 -16.892 -16.543 0.349 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.557 -60.208 0.349 30.40 + O2 0.000e+00 0.000e+00 -62.219 -61.870 0.349 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -13.04 -16.14 -3.10 H2 + H2(g) -12.21 -15.31 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.71 0.86 1.57 NaCl - O2(g) -57.32 -60.21 -2.89 O2 + O2(g) -58.98 -61.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26886,7 +26656,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.822 Adjusted to redox equilibrium + pe = -0.840 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 205776 Density (g/cm³) = 1.12118 Volume (L) = 1.07369 @@ -26894,11 +26664,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.428e-17 + Total alkalinity (eq/kg) = 3.009e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.119e-13 + Electrical balance (eq) = 1.190e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 46 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26913,22 +26683,21 @@ Reaction 1. Cl 3.487e+00 Cl- 3.487e+00 2.026e+00 0.542 0.307 -0.236 19.65 HCl 2.568e-09 7.830e-08 -8.590 -7.106 1.484 (0) -H(0) 1.816e-39 - H2 9.080e-40 2.027e-39 -39.042 -38.693 0.349 28.61 +H(0) 3.817e-16 + H2 1.908e-16 4.260e-16 -15.719 -15.371 0.349 28.61 Na 3.487e+00 Na+ 3.487e+00 3.602e+00 0.542 0.557 0.014 0.63 - NaOH 1.283e-17 2.864e-17 -16.892 -16.543 0.349 (0) -O(0) 7.065e-16 - O2 3.533e-16 7.885e-16 -15.452 -15.103 0.349 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.097 -61.748 0.349 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.59 -38.69 -3.10 H2 + H2(g) -12.27 -15.37 -3.10 H2 H2O(g) -1.56 -0.05 1.50 H2O Halite -0.71 0.86 1.57 NaCl - O2(g) -12.21 -15.10 -2.89 O2 + O2(g) -58.86 -61.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -26964,7 +26733,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -1.000 Adjusted to redox equilibrium + pe = -0.525 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 206168 Density (g/cm³) = 1.12159 Volume (L) = 1.07397 @@ -26972,11 +26741,11 @@ Reaction 1. Activity of water = 0.881 Ionic strength (mol/kgw) = 3.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.962e-16 + Total alkalinity (eq/kg) = -5.922e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.786e-11 + Electrical balance (eq) = -4.197e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 63 + Iterations = 49 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -26991,22 +26760,21 @@ Reaction 1. Cl 3.500e+00 Cl- 3.500e+00 2.033e+00 0.544 0.308 -0.236 19.66 HCl 2.546e-09 7.859e-08 -8.594 -7.105 1.490 (0) -H(0) 7.970e-16 - H2 3.985e-16 8.922e-16 -15.400 -15.050 0.350 28.61 +H(0) 8.929e-17 + H2 4.464e-17 9.994e-17 -16.350 -16.000 0.350 28.61 Na 3.500e+00 Na+ 3.500e+00 3.623e+00 0.544 0.559 0.015 0.63 - NaOH 1.286e-17 2.879e-17 -16.891 -16.541 0.350 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.741 -62.391 0.350 30.40 + O2 0.000e+00 0.000e+00 -60.840 -60.490 0.350 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.95 -15.05 -3.10 H2 + H2(g) -12.90 -16.00 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.70 0.87 1.57 NaCl - O2(g) -59.50 -62.39 -2.89 O2 + O2(g) -57.60 -60.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27042,7 +26810,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.650 Adjusted to redox equilibrium + pe = 11.037 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 207204 Density (g/cm³) = 1.12267 Volume (L) = 1.07473 @@ -27050,11 +26818,11 @@ Reaction 1. Activity of water = 0.880 Ionic strength (mol/kgw) = 3.535e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.066e-16 + Total alkalinity (eq/kg) = 1.952e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.491e-13 + Electrical balance (eq) = 2.684e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 10 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27069,22 +26837,21 @@ Reaction 1. Cl 3.535e+00 Cl- 3.535e+00 2.054e+00 0.548 0.313 -0.236 19.66 HCl 2.486e-09 7.939e-08 -8.605 -7.100 1.504 (0) -H(0) 1.575e-16 - H2 7.877e-17 1.778e-16 -16.104 -15.750 0.353 28.61 +H(0) 6.657e-40 + H2 3.329e-40 7.511e-40 -39.478 -39.124 0.353 28.61 Na 3.535e+00 Na+ 3.535e+00 3.679e+00 0.548 0.566 0.017 0.64 - NaOH 1.294e-17 2.920e-17 -16.888 -16.535 0.353 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.344 -60.991 0.353 30.40 +O(0) 5.069e-15 + O2 2.535e-15 5.720e-15 -14.596 -14.243 0.353 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.65 -15.75 -3.10 H2 + H2(g) -36.02 -39.12 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.69 0.88 1.57 NaCl - O2(g) -58.10 -60.99 -2.89 O2 + O2(g) -11.35 -14.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27120,7 +26887,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 0.721 Adjusted to redox equilibrium + pe = 11.158 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 207360 Density (g/cm³) = 1.12283 Volume (L) = 1.07485 @@ -27128,11 +26895,11 @@ Reaction 1. Activity of water = 0.880 Ionic strength (mol/kgw) = 3.540e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.214e-16 + Total alkalinity (eq/kg) = -1.231e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.264e-12 + Electrical balance (eq) = -5.416e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27147,22 +26914,21 @@ Reaction 1. Cl 3.540e+00 Cl- 3.540e+00 2.057e+00 0.549 0.313 -0.236 19.67 HCl 2.477e-09 7.951e-08 -8.606 -7.100 1.507 (0) -H(0) 2.856e-19 - H2 1.428e-19 3.226e-19 -18.845 -18.491 0.354 28.61 +H(0) 3.819e-40 + H2 1.910e-40 4.314e-40 -39.719 -39.365 0.354 28.61 Na 3.540e+00 Na+ 3.540e+00 3.688e+00 0.549 0.567 0.018 0.64 - NaOH 1.295e-17 2.927e-17 -16.888 -16.534 0.354 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.863 -55.509 0.354 30.40 +O(0) 1.534e-14 + O2 7.671e-15 1.733e-14 -14.115 -13.761 0.354 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.39 -18.49 -3.10 H2 + H2(g) -36.26 -39.37 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.69 0.88 1.57 NaCl - O2(g) -52.62 -55.51 -2.89 O2 + O2(g) -10.87 -13.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27198,7 +26964,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = -0.878 Adjusted to redox equilibrium + pe = 10.546 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 210855 Density (g/cm³) = 1.12659 Volume (L) = 1.07751 @@ -27206,11 +26972,11 @@ Reaction 1. Activity of water = 0.876 Ionic strength (mol/kgw) = 3.660e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.206e-16 + Total alkalinity (eq/kg) = 5.365e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.105e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Electrical balance (eq) = -2.237e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27225,22 +26991,21 @@ Reaction 1. Cl 3.660e+00 Cl- 3.660e+00 2.130e+00 0.564 0.328 -0.235 19.69 HCl 2.278e-09 8.229e-08 -8.642 -7.085 1.558 (0) -H(0) 4.364e-16 - H2 2.182e-16 5.069e-16 -15.661 -15.295 0.366 28.61 +H(0) 6.204e-39 + H2 3.102e-39 7.206e-39 -38.508 -38.142 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.564 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.271 -61.905 0.366 30.40 +O(0) 5.299e-17 + O2 2.650e-17 6.155e-17 -16.577 -16.211 0.366 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.19 -15.30 -3.10 H2 + H2(g) -35.04 -38.14 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -59.01 -61.91 -2.89 O2 + O2(g) -13.32 -16.21 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27276,7 +27041,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.830 Adjusted to redox equilibrium + pe = -0.021 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 211234 Density (g/cm³) = 1.12701 Volume (L) = 1.07780 @@ -27284,11 +27049,11 @@ Reaction 1. Activity of water = 0.875 Ionic strength (mol/kgw) = 3.674e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.833e-16 + Total alkalinity (eq/kg) = -1.005e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.874e-11 + Electrical balance (eq) = 1.366e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27303,22 +27068,21 @@ Reaction 1. Cl 3.674e+00 Cl- 3.674e+00 2.138e+00 0.565 0.330 -0.235 19.69 HCl 2.257e-09 8.260e-08 -8.646 -7.083 1.563 (0) -H(0) 1.676e-39 - H2 8.378e-40 1.952e-39 -39.077 -38.709 0.367 28.61 +H(0) 8.406e-18 + H2 4.203e-18 9.793e-18 -17.376 -17.009 0.367 28.61 Na 3.674e+00 Na+ 3.674e+00 3.912e+00 0.565 0.592 0.027 0.68 - NaOH 1.326e-17 3.090e-17 -16.877 -16.510 0.367 (0) -O(0) 7.190e-16 - O2 3.595e-16 8.377e-16 -15.444 -15.077 0.367 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -58.845 -58.478 0.367 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.61 -38.71 -3.10 H2 + H2(g) -13.91 -17.01 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -12.18 -15.08 -2.89 O2 + O2(g) -55.59 -58.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27354,7 +27118,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.950 Charge balance - pe = 10.639 Adjusted to redox equilibrium + pe = -0.755 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 211450 Density (g/cm³) = 1.12725 Volume (L) = 1.07797 @@ -27362,11 +27126,11 @@ Reaction 1. Activity of water = 0.875 Ionic strength (mol/kgw) = 3.681e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.343e-16 + Total alkalinity (eq/kg) = -1.206e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.192e-13 + Electrical balance (eq) = 2.303e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27381,22 +27145,21 @@ Reaction 1. Cl 3.681e+00 Cl- 3.681e+00 2.143e+00 0.566 0.331 -0.235 19.69 HCl 2.245e-09 8.278e-08 -8.649 -7.082 1.567 (0) -H(0) 4.025e-39 - H2 2.013e-39 4.698e-39 -38.696 -38.328 0.368 28.61 +H(0) 2.473e-16 + H2 1.237e-16 2.887e-16 -15.908 -15.540 0.368 28.61 Na 3.681e+00 Na+ 3.681e+00 3.925e+00 0.566 0.594 0.028 0.68 - NaOH 1.328e-17 3.099e-17 -16.877 -16.509 0.368 (0) -O(0) 1.239e-16 - O2 6.194e-17 1.446e-16 -16.208 -15.840 0.368 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.785 -61.417 0.368 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.23 -38.33 -3.10 H2 + H2(g) -12.44 -15.54 -3.10 H2 H2O(g) -1.56 -0.06 1.50 H2O Halite -0.65 0.92 1.57 NaCl - O2(g) -12.95 -15.84 -2.89 O2 + O2(g) -58.52 -61.42 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27432,7 +27195,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.789 Adjusted to redox equilibrium + pe = -0.542 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 218432 Density (g/cm³) = 1.13536 Volume (L) = 1.08383 @@ -27440,11 +27203,11 @@ Reaction 1. Activity of water = 0.866 Ionic strength (mol/kgw) = 3.945e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.922e-17 + Total alkalinity (eq/kg) = 5.841e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.951e-15 + Electrical balance (eq) = 1.318e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 + Iterations = 73 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27459,22 +27222,21 @@ Reaction 1. Cl 3.945e+00 Cl- 3.945e+00 2.303e+00 0.596 0.362 -0.234 19.75 HCl 1.862e-09 8.889e-08 -8.730 -7.051 1.679 (0) -H(0) 1.889e-39 - H2 9.447e-40 2.343e-39 -39.025 -38.630 0.394 28.61 +H(0) 8.702e-17 + H2 4.351e-17 1.079e-16 -16.361 -15.967 0.394 28.61 Na 3.945e+00 Na+ 3.945e+00 4.394e+00 0.596 0.643 0.047 0.75 - NaOH 1.386e-17 3.437e-17 -16.858 -16.464 0.394 (0) -O(0) 4.591e-16 - O2 2.296e-16 5.693e-16 -15.639 -15.245 0.394 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -60.966 -60.571 0.394 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.53 -38.63 -3.10 H2 + H2(g) -12.87 -15.97 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.56 1.01 1.57 NaCl - O2(g) -12.35 -15.24 -2.89 O2 + O2(g) -57.68 -60.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27510,7 +27272,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.590 Adjusted to redox equilibrium + pe = 10.752 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219487 Density (g/cm³) = 1.13666 Volume (L) = 1.08478 @@ -27518,11 +27280,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 3.987e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.040e-17 + Total alkalinity (eq/kg) = -1.191e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.757e-08 + Electrical balance (eq) = 5.269e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 12 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27537,22 +27299,21 @@ Reaction 1. Cl 3.987e+00 Cl- 3.987e+00 2.329e+00 0.601 0.367 -0.233 19.76 HCl 1.806e-09 8.988e-08 -8.743 -7.046 1.697 (0) -H(0) 4.692e-39 - H2 2.346e-39 5.876e-39 -38.630 -38.231 0.399 28.61 +H(0) 2.219e-39 + H2 1.109e-39 2.779e-39 -38.955 -38.556 0.399 28.61 Na 3.987e+00 Na+ 3.987e+00 4.473e+00 0.601 0.651 0.050 0.76 - NaOH 1.395e-17 3.494e-17 -16.855 -16.457 0.399 (0) -O(0) 7.205e-17 - O2 3.603e-17 9.023e-17 -16.443 -16.045 0.399 30.40 +O(0) 3.222e-16 + O2 1.611e-16 4.035e-16 -15.793 -15.394 0.399 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.13 -38.23 -3.10 H2 + H2(g) -35.46 -38.56 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -13.15 -16.04 -2.89 O2 + O2(g) -12.50 -15.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27588,7 +27349,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 11.491 Adjusted to redox equilibrium + pe = 10.738 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219798 Density (g/cm³) = 1.13705 Volume (L) = 1.08507 @@ -27596,11 +27357,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.620e-16 + Total alkalinity (eq/kg) = -3.094e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.652e-11 + Electrical balance (eq) = 2.407e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27615,22 +27376,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.337e+00 0.602 0.369 -0.233 19.76 HCl 1.789e-09 9.018e-08 -8.747 -7.045 1.702 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.434 -40.034 0.400 28.61 +H(0) 2.368e-39 + H2 1.184e-39 2.974e-39 -38.927 -38.527 0.400 28.61 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 1.398e-17 3.511e-17 -16.855 -16.455 0.400 (0) -O(0) 2.893e-13 - O2 1.446e-13 3.633e-13 -12.840 -12.440 0.400 30.40 +O(0) 2.802e-16 + O2 1.401e-16 3.519e-16 -15.854 -15.454 0.400 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.93 -40.03 -3.10 H2 + H2(g) -35.43 -38.53 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -9.55 -12.44 -2.89 O2 + O2(g) -12.56 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27666,7 +27426,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 11.491 Adjusted to redox equilibrium + pe = 10.738 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 219798 Density (g/cm³) = 1.13705 Volume (L) = 1.08507 @@ -27674,11 +27434,11 @@ Reaction 1. Activity of water = 0.864 Ionic strength (mol/kgw) = 4.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.620e-16 + Total alkalinity (eq/kg) = -3.094e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.652e-11 + Electrical balance (eq) = 2.407e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 27 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27693,22 +27453,21 @@ Reaction 1. Cl 4.000e+00 Cl- 4.000e+00 2.337e+00 0.602 0.369 -0.233 19.76 HCl 1.789e-09 9.018e-08 -8.747 -7.045 1.702 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.434 -40.034 0.400 28.61 +H(0) 2.368e-39 + H2 1.184e-39 2.974e-39 -38.927 -38.527 0.400 28.61 Na 4.000e+00 Na+ 4.000e+00 4.497e+00 0.602 0.653 0.051 0.77 - NaOH 1.398e-17 3.511e-17 -16.855 -16.455 0.400 (0) -O(0) 2.893e-13 - O2 1.446e-13 3.633e-13 -12.840 -12.440 0.400 30.40 +O(0) 2.802e-16 + O2 1.401e-16 3.519e-16 -15.854 -15.454 0.400 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.93 -40.03 -3.10 H2 + H2(g) -35.43 -38.53 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.55 1.02 1.57 NaCl - O2(g) -9.55 -12.44 -2.89 O2 + O2(g) -12.56 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27744,7 +27503,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = 10.146 Adjusted to redox equilibrium + pe = 10.622 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 221017 Density (g/cm³) = 1.13858 Volume (L) = 1.08620 @@ -27752,11 +27511,11 @@ Reaction 1. Activity of water = 0.862 Ionic strength (mol/kgw) = 4.051e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.369e-17 + Total alkalinity (eq/kg) = -1.851e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.734e-09 + Electrical balance (eq) = 6.474e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 74 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27771,22 +27530,21 @@ Reaction 1. Cl 4.051e+00 Cl- 4.051e+00 2.368e+00 0.608 0.374 -0.233 19.77 HCl 1.725e-09 9.136e-08 -8.763 -7.039 1.724 (0) -H(0) 3.566e-38 - H2 1.783e-38 4.531e-38 -37.749 -37.344 0.405 28.61 +H(0) 3.980e-39 + H2 1.990e-39 5.057e-39 -38.701 -38.296 0.405 28.61 Na 4.051e+00 Na+ 4.051e+00 4.592e+00 0.608 0.662 0.055 0.78 - NaOH 1.409e-17 3.580e-17 -16.851 -16.446 0.405 (0) -O(0) 1.188e-18 - O2 5.940e-19 1.509e-18 -18.226 -17.821 0.405 30.40 +O(0) 9.537e-17 + O2 4.769e-17 1.212e-16 -16.322 -15.917 0.405 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.24 -37.34 -3.10 H2 + H2(g) -35.19 -38.30 -3.10 H2 H2O(g) -1.57 -0.06 1.50 H2O Halite -0.53 1.04 1.57 NaCl - O2(g) -14.93 -17.82 -2.89 O2 + O2(g) -13.02 -15.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27822,7 +27580,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.951 Charge balance - pe = -1.319 Adjusted to redox equilibrium + pe = 10.630 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 224855 Density (g/cm³) = 1.14363 Volume (L) = 1.08996 @@ -27830,11 +27588,11 @@ Reaction 1. Activity of water = 0.857 Ionic strength (mol/kgw) = 4.218e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.453e-16 + Total alkalinity (eq/kg) = -1.940e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.772e-11 + Electrical balance (eq) = 1.230e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27849,22 +27607,21 @@ Reaction 1. Cl 4.218e+00 Cl- 4.218e+00 2.472e+00 0.625 0.393 -0.232 19.80 HCl 1.527e-09 9.526e-08 -8.816 -7.021 1.795 (0) -H(0) 2.909e-15 - H2 1.454e-15 3.841e-15 -14.837 -14.416 0.422 28.61 +H(0) 3.694e-39 + H2 1.847e-39 4.879e-39 -38.733 -38.312 0.422 28.61 Na 4.218e+00 Na+ 4.218e+00 4.918e+00 0.625 0.692 0.067 0.83 - NaOH 1.443e-17 3.812e-17 -16.841 -16.419 0.422 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.105 -63.683 0.422 30.40 +O(0) 9.732e-17 + O2 4.866e-17 1.285e-16 -16.313 -15.891 0.422 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.31 -14.42 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.49 1.08 1.57 NaCl - O2(g) -60.79 -63.68 -2.89 O2 + O2(g) -13.00 -15.89 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27900,7 +27657,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -0.860 Adjusted to redox equilibrium + pe = 10.677 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 227465 Density (g/cm³) = 1.14727 Volume (L) = 1.09270 @@ -27908,11 +27665,11 @@ Reaction 1. Activity of water = 0.852 Ionic strength (mol/kgw) = 4.340e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.499e-16 + Total alkalinity (eq/kg) = -4.939e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.700e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 54 + Electrical balance (eq) = -4.240e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -27927,22 +27684,21 @@ Reaction 1. Cl 4.340e+00 Cl- 4.340e+00 2.548e+00 0.637 0.406 -0.231 19.82 HCl 1.396e-09 9.812e-08 -8.855 -7.008 1.847 (0) -H(0) 3.417e-16 - H2 1.709e-16 4.641e-16 -15.767 -15.333 0.434 28.61 +H(0) 2.885e-39 + H2 1.443e-39 3.919e-39 -38.841 -38.407 0.434 28.61 Na 4.340e+00 Na+ 4.340e+00 5.166e+00 0.637 0.713 0.076 0.86 - NaOH 1.468e-17 3.988e-17 -16.833 -16.399 0.434 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.286 -61.852 0.434 30.40 +O(0) 1.452e-16 + O2 7.262e-17 1.973e-16 -16.139 -15.705 0.434 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -35.31 -38.41 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.45 1.12 1.57 NaCl - O2(g) -58.96 -61.85 -2.89 O2 + O2(g) -12.81 -15.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -27978,7 +27734,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.293 Adjusted to redox equilibrium + pe = 11.613 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 229645 Density (g/cm³) = 1.15046 Volume (L) = 1.09514 @@ -27986,11 +27742,11 @@ Reaction 1. Activity of water = 0.849 Ionic strength (mol/kgw) = 4.447e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.179e-16 + Total alkalinity (eq/kg) = 7.426e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.261e-15 + Electrical balance (eq) = 1.913e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 25 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28005,22 +27761,21 @@ Reaction 1. Cl 4.447e+00 Cl- 4.447e+00 2.616e+00 0.648 0.418 -0.230 19.84 HCl 1.288e-09 1.006e-07 -8.890 -6.997 1.893 (0) -H(0) 2.443e-15 - H2 1.222e-15 3.402e-15 -14.913 -14.468 0.445 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.725 -40.281 0.445 28.61 Na 4.447e+00 Na+ 4.447e+00 5.391e+00 0.648 0.732 0.084 0.88 - NaOH 1.490e-17 4.147e-17 -16.827 -16.382 0.445 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.030 -63.586 0.445 30.40 +O(0) 7.856e-13 + O2 3.928e-13 1.094e-12 -12.406 -11.961 0.445 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.37 -14.47 -3.10 H2 + H2(g) -37.18 -40.28 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.42 1.15 1.57 NaCl - O2(g) -60.69 -63.59 -2.89 O2 + O2(g) -9.07 -11.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28056,7 +27811,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.159 Adjusted to redox equilibrium + pe = 10.009 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 230671 Density (g/cm³) = 1.15201 Volume (L) = 1.09633 @@ -28064,11 +27819,11 @@ Reaction 1. Activity of water = 0.847 Ionic strength (mol/kgw) = 4.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.461e-16 + Total alkalinity (eq/kg) = 2.516e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.158e-09 + Electrical balance (eq) = 9.316e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28083,22 +27838,21 @@ Reaction 1. Cl 4.500e+00 Cl- 4.500e+00 2.650e+00 0.653 0.423 -0.230 19.85 HCl 1.239e-09 1.019e-07 -8.907 -6.992 1.915 (0) -H(0) 1.300e-15 - H2 6.502e-16 1.833e-15 -15.187 -14.737 0.450 28.61 +H(0) 5.994e-38 + H2 2.997e-38 8.446e-38 -37.523 -37.073 0.450 28.61 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 1.500e-17 4.227e-17 -16.824 -16.374 0.450 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.050 0.450 30.40 +O(0) 2.975e-19 + O2 1.487e-19 4.192e-19 -18.828 -18.378 0.450 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -33.97 -37.07 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.41 1.16 1.57 NaCl - O2(g) -60.16 -63.05 -2.89 O2 + O2(g) -15.49 -18.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28134,7 +27888,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.952 Charge balance - pe = -1.159 Adjusted to redox equilibrium + pe = 10.009 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 230671 Density (g/cm³) = 1.15201 Volume (L) = 1.09633 @@ -28142,11 +27896,11 @@ Reaction 1. Activity of water = 0.847 Ionic strength (mol/kgw) = 4.500e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.461e-16 + Total alkalinity (eq/kg) = 2.516e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.158e-09 + Electrical balance (eq) = 9.316e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28161,22 +27915,21 @@ Reaction 1. Cl 4.500e+00 Cl- 4.500e+00 2.650e+00 0.653 0.423 -0.230 19.85 HCl 1.239e-09 1.019e-07 -8.907 -6.992 1.915 (0) -H(0) 1.300e-15 - H2 6.502e-16 1.833e-15 -15.187 -14.737 0.450 28.61 +H(0) 5.994e-38 + H2 2.997e-38 8.446e-38 -37.523 -37.073 0.450 28.61 Na 4.500e+00 Na+ 4.500e+00 5.504e+00 0.653 0.741 0.087 0.90 - NaOH 1.500e-17 4.227e-17 -16.824 -16.374 0.450 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.500 -63.050 0.450 30.40 +O(0) 2.975e-19 + O2 1.487e-19 4.192e-19 -18.828 -18.378 0.450 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.64 -14.74 -3.10 H2 + H2(g) -33.97 -37.07 -3.10 H2 H2O(g) -1.57 -0.07 1.50 H2O Halite -0.41 1.16 1.57 NaCl - O2(g) -60.16 -63.05 -2.89 O2 + O2(g) -15.49 -18.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28212,7 +27965,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = -0.776 Adjusted to redox equilibrium + pe = -0.710 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 232171 Density (g/cm³) = 1.15436 Volume (L) = 1.09815 @@ -28220,11 +27973,11 @@ Reaction 1. Activity of water = 0.844 Ionic strength (mol/kgw) = 4.580e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.735e-17 + Total alkalinity (eq/kg) = -6.846e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.217e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Electrical balance (eq) = -1.250e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28239,22 +27992,21 @@ Reaction 1. Cl 4.580e+00 Cl- 4.580e+00 2.700e+00 0.661 0.431 -0.229 19.86 HCl 1.167e-09 1.038e-07 -8.933 -6.984 1.949 (0) -H(0) 2.187e-16 - H2 1.093e-16 3.139e-16 -15.961 -15.503 0.458 28.61 +H(0) 1.616e-16 + H2 8.081e-17 2.320e-16 -16.093 -15.635 0.458 28.61 Na 4.580e+00 Na+ 4.580e+00 5.678e+00 0.661 0.754 0.093 0.92 - NaOH 1.515e-17 4.350e-17 -16.820 -16.362 0.458 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.979 -61.521 0.458 30.40 + O2 0.000e+00 0.000e+00 -61.716 -61.258 0.458 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.40 -15.50 -3.10 H2 + H2(g) -12.53 -15.63 -3.10 H2 H2O(g) -1.58 -0.07 1.50 H2O Halite -0.38 1.19 1.57 NaCl - O2(g) -58.63 -61.52 -2.89 O2 + O2(g) -58.37 -61.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28290,7 +28042,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.953 Charge balance - pe = 10.911 Adjusted to redox equilibrium + pe = 11.159 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 233208 Density (g/cm³) = 1.15603 Volume (L) = 1.09944 @@ -28298,11 +28050,11 @@ Reaction 1. Activity of water = 0.842 Ionic strength (mol/kgw) = 4.637e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.402e-16 + Total alkalinity (eq/kg) = -3.846e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.673e-15 + Electrical balance (eq) = 7.990e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 38 + Iterations = 62 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28317,22 +28069,21 @@ Reaction 1. Cl 4.637e+00 Cl- 4.637e+00 2.737e+00 0.666 0.437 -0.229 19.87 HCl 1.117e-09 1.051e-07 -8.952 -6.978 1.973 (0) -H(0) 9.118e-40 - H2 4.559e-40 1.326e-39 -39.341 -38.877 0.464 28.61 +H(0) 2.905e-40 + H2 1.453e-40 4.225e-40 -39.838 -39.374 0.464 28.61 Na 4.637e+00 Na+ 4.637e+00 5.805e+00 0.666 0.764 0.098 0.93 - NaOH 1.526e-17 4.439e-17 -16.816 -16.353 0.464 (0) -O(0) 1.157e-15 - O2 5.783e-16 1.682e-15 -15.238 -14.774 0.464 30.40 +O(0) 1.139e-14 + O2 5.697e-15 1.657e-14 -14.244 -13.781 0.464 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -36.27 -39.37 -3.10 H2 H2O(g) -1.58 -0.07 1.50 H2O Halite -0.37 1.20 1.57 NaCl - O2(g) -11.88 -14.77 -2.89 O2 + O2(g) -10.89 -13.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28368,7 +28119,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 0.588 Adjusted to redox equilibrium + pe = 10.625 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238047 Density (g/cm³) = 1.16448 Volume (L) = 1.10612 @@ -28376,11 +28127,11 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.929e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.484e-16 + Total alkalinity (eq/kg) = 6.623e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.166e-08 + Electrical balance (eq) = 1.264e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 24 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28395,22 +28146,21 @@ Reaction 1. Cl 4.929e+00 Cl- 4.929e+00 2.925e+00 0.693 0.466 -0.227 19.92 HCl 8.946e-10 1.120e-07 -9.048 -6.951 2.098 (0) -H(0) 3.744e-19 - H2 1.872e-19 5.824e-19 -18.728 -18.235 0.493 28.61 +H(0) 3.158e-39 + H2 1.579e-39 4.912e-39 -38.802 -38.309 0.493 28.61 Na 4.929e+00 Na+ 4.929e+00 6.488e+00 0.693 0.812 0.119 1.00 - NaOH 1.580e-17 4.916e-17 -16.801 -16.308 0.493 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.563 -56.070 0.493 30.40 +O(0) 7.698e-17 + O2 3.849e-17 1.197e-16 -16.415 -15.922 0.493 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -15.13 -18.23 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.29 1.28 1.57 NaCl - O2(g) -53.18 -56.07 -2.89 O2 + O2(g) -13.03 -15.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28446,7 +28196,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.911 Adjusted to redox equilibrium + pe = 10.492 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238070 Density (g/cm³) = 1.16452 Volume (L) = 1.10616 @@ -28454,11 +28204,11 @@ Reaction 1. Activity of water = 0.832 Ionic strength (mol/kgw) = 4.930e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.246e-16 + Total alkalinity (eq/kg) = 1.255e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.243e-10 + Electrical balance (eq) = 2.385e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 18 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28473,22 +28223,21 @@ Reaction 1. Cl 4.930e+00 Cl- 4.930e+00 2.926e+00 0.693 0.466 -0.227 19.93 HCl 8.936e-10 1.121e-07 -9.049 -6.951 2.098 (0) -H(0) 3.739e-16 - H2 1.869e-16 5.817e-16 -15.728 -15.235 0.493 28.61 +H(0) 5.844e-39 + H2 2.922e-39 9.093e-39 -38.534 -38.041 0.493 28.61 Na 4.930e+00 Na+ 4.930e+00 6.491e+00 0.693 0.812 0.119 1.00 - NaOH 1.580e-17 4.918e-17 -16.801 -16.308 0.493 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.562 -62.069 0.493 30.40 +O(0) 2.245e-17 + O2 1.122e-17 3.493e-17 -16.950 -16.457 0.493 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.13 -15.24 -3.10 H2 + H2(g) -34.94 -38.04 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.29 1.28 1.57 NaCl - O2(g) -59.18 -62.07 -2.89 O2 + O2(g) -13.56 -16.46 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28524,7 +28273,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 11.170 Adjusted to redox equilibrium + pe = 10.787 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 238980 Density (g/cm³) = 1.16626 Volume (L) = 1.10755 @@ -28532,11 +28281,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 4.991e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.407e-16 + Total alkalinity (eq/kg) = 2.391e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.494e-11 + Electrical balance (eq) = 3.637e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 37 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28551,22 +28300,21 @@ Reaction 1. Cl 4.991e+00 Cl- 4.991e+00 2.965e+00 0.698 0.472 -0.226 19.94 HCl 8.528e-10 1.135e-07 -9.069 -6.945 2.124 (0) -H(0) 2.527e-40 - H2 1.263e-40 3.987e-40 -39.898 -39.399 0.499 28.61 +H(0) 1.478e-39 + H2 7.390e-40 2.332e-39 -39.131 -38.632 0.499 28.61 Na 4.991e+00 Na+ 4.991e+00 6.640e+00 0.698 0.822 0.124 1.02 - NaOH 1.591e-17 5.022e-17 -16.798 -16.299 0.499 (0) -O(0) 1.146e-14 - O2 5.729e-15 1.808e-14 -14.242 -13.743 0.499 30.40 +O(0) 3.349e-16 + O2 1.675e-16 5.284e-16 -15.776 -15.277 0.499 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.30 -39.40 -3.10 H2 + H2(g) -35.53 -38.63 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.28 1.29 1.57 NaCl - O2(g) -10.85 -13.74 -2.89 O2 + O2(g) -12.38 -15.28 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28602,7 +28350,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.865 Adjusted to redox equilibrium + pe = -0.569 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239112 Density (g/cm³) = 1.16651 Volume (L) = 1.10776 @@ -28610,11 +28358,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.693e-16 + Total alkalinity (eq/kg) = -6.550e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.055e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 69 + Electrical balance (eq) = 3.443e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28629,22 +28377,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.971e+00 0.699 0.473 -0.226 19.94 HCl 8.469e-10 1.137e-07 -9.072 -6.944 2.128 (0) -H(0) 2.974e-16 - H2 1.487e-16 4.703e-16 -15.828 -15.328 0.500 28.61 +H(0) 7.586e-17 + H2 3.793e-17 1.199e-16 -16.421 -15.921 0.500 28.61 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 1.593e-17 5.037e-17 -16.798 -16.298 0.500 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.387 -61.887 0.500 30.40 + O2 0.000e+00 0.000e+00 -61.200 -60.700 0.500 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -12.82 -15.92 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -58.99 -61.89 -2.89 O2 + O2(g) -57.81 -60.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28680,7 +28427,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = -0.865 Adjusted to redox equilibrium + pe = -0.569 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239112 Density (g/cm³) = 1.16651 Volume (L) = 1.10776 @@ -28688,11 +28435,11 @@ Reaction 1. Activity of water = 0.830 Ionic strength (mol/kgw) = 5.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.693e-16 + Total alkalinity (eq/kg) = -6.550e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.055e-08 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 69 + Electrical balance (eq) = 3.443e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 50 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28707,22 +28454,21 @@ Reaction 1. Cl 5.000e+00 Cl- 5.000e+00 2.971e+00 0.699 0.473 -0.226 19.94 HCl 8.469e-10 1.137e-07 -9.072 -6.944 2.128 (0) -H(0) 2.974e-16 - H2 1.487e-16 4.703e-16 -15.828 -15.328 0.500 28.61 +H(0) 7.586e-17 + H2 3.793e-17 1.199e-16 -16.421 -15.921 0.500 28.61 Na 5.000e+00 Na+ 5.000e+00 6.662e+00 0.699 0.824 0.125 1.02 - NaOH 1.593e-17 5.037e-17 -16.798 -16.298 0.500 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.387 -61.887 0.500 30.40 + O2 0.000e+00 0.000e+00 -61.200 -60.700 0.500 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.23 -15.33 -3.10 H2 + H2(g) -12.82 -15.92 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -58.99 -61.89 -2.89 O2 + O2(g) -57.81 -60.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28758,7 +28504,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.954 Charge balance - pe = 10.969 Adjusted to redox equilibrium + pe = -0.933 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 239472 Density (g/cm³) = 1.16722 Volume (L) = 1.10833 @@ -28766,11 +28512,11 @@ Reaction 1. Activity of water = 0.829 Ionic strength (mol/kgw) = 5.025e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.319e-16 + Total alkalinity (eq/kg) = 7.834e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.097e-13 + Electrical balance (eq) = 7.111e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 20 + Iterations = 45 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28785,22 +28531,21 @@ Reaction 1. Cl 5.025e+00 Cl- 5.025e+00 2.987e+00 0.701 0.475 -0.226 19.94 HCl 8.309e-10 1.143e-07 -9.080 -6.942 2.139 (0) -H(0) 6.328e-40 - H2 3.164e-40 1.006e-39 -39.500 -38.997 0.502 28.61 +H(0) 4.043e-16 + H2 2.022e-16 6.429e-16 -15.694 -15.192 0.502 28.61 Na 5.025e+00 Na+ 5.025e+00 6.724e+00 0.701 0.828 0.127 1.03 - NaOH 1.597e-17 5.080e-17 -16.797 -16.294 0.502 (0) -O(0) 1.780e-15 - O2 8.900e-16 2.831e-15 -15.051 -14.548 0.502 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.662 -62.159 0.502 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.90 -39.00 -3.10 H2 + H2(g) -12.09 -15.19 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -0.27 1.30 1.57 NaCl - O2(g) -11.66 -14.55 -2.89 O2 + O2(g) -59.27 -62.16 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28836,7 +28581,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.191 Adjusted to redox equilibrium + pe = 10.895 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 240756 Density (g/cm³) = 1.16981 Volume (L) = 1.11043 @@ -28844,11 +28589,11 @@ Reaction 1. Activity of water = 0.826 Ionic strength (mol/kgw) = 5.116e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.944e-16 + Total alkalinity (eq/kg) = 4.492e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.022e-11 + Electrical balance (eq) = 7.114e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Iterations = 81 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28863,22 +28608,21 @@ Reaction 1. Cl 5.116e+00 Cl- 5.116e+00 3.047e+00 0.709 0.484 -0.225 19.96 HCl 7.743e-10 1.165e-07 -9.111 -6.934 2.177 (0) -H(0) 2.231e-40 - H2 1.116e-40 3.624e-40 -39.952 -39.441 0.512 28.61 +H(0) 8.704e-40 + H2 4.352e-40 1.413e-39 -39.361 -38.850 0.512 28.61 Na 5.116e+00 Na+ 5.116e+00 6.955e+00 0.709 0.842 0.133 1.05 - NaOH 1.613e-17 5.240e-17 -16.792 -16.281 0.512 (0) -O(0) 1.334e-14 - O2 6.670e-15 2.166e-14 -14.176 -13.664 0.512 30.40 +O(0) 8.768e-16 + O2 4.384e-16 1.424e-15 -15.358 -14.847 0.512 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.34 -39.44 -3.10 H2 + H2(g) -35.75 -38.85 -3.10 H2 H2O(g) -1.59 -0.08 1.50 H2O Halite -0.24 1.33 1.57 NaCl - O2(g) -10.77 -13.66 -2.89 O2 + O2(g) -11.95 -14.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28914,7 +28658,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 0.335 Adjusted to redox equilibrium + pe = -0.536 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242433 Density (g/cm³) = 1.17340 Volume (L) = 1.11337 @@ -28922,11 +28666,11 @@ Reaction 1. Activity of water = 0.822 Ionic strength (mol/kgw) = 5.243e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.366e-16 + Total alkalinity (eq/kg) = -4.766e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.454e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Electrical balance (eq) = 2.348e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -28941,22 +28685,21 @@ Reaction 1. Cl 5.243e+00 Cl- 5.243e+00 3.131e+00 0.720 0.496 -0.224 19.98 HCl 7.013e-10 1.195e-07 -9.154 -6.923 2.232 (0) -H(0) 1.114e-18 - H2 5.569e-19 1.863e-18 -18.254 -17.730 0.524 28.61 +H(0) 6.151e-17 + H2 3.075e-17 1.029e-16 -16.512 -15.988 0.524 28.61 Na 5.243e+00 Na+ 5.243e+00 7.287e+00 0.720 0.863 0.143 1.08 - NaOH 1.635e-17 5.469e-17 -16.786 -16.262 0.524 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.615 -57.091 0.524 30.40 + O2 0.000e+00 0.000e+00 -61.099 -60.575 0.524 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.63 -17.73 -3.10 H2 + H2(g) -12.89 -15.99 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.21 1.36 1.57 NaCl - O2(g) -54.20 -57.09 -2.89 O2 + O2(g) -57.68 -60.57 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -28992,7 +28735,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 10.818 Adjusted to redox equilibrium + pe = -0.764 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242635 Density (g/cm³) = 1.17385 Volume (L) = 1.11374 @@ -29000,11 +28743,11 @@ Reaction 1. Activity of water = 0.821 Ionic strength (mol/kgw) = 5.259e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.847e-17 + Total alkalinity (eq/kg) = 7.060e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.008e-09 + Electrical balance (eq) = 8.574e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 33 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29019,22 +28762,21 @@ Reaction 1. Cl 5.259e+00 Cl- 5.259e+00 3.142e+00 0.721 0.497 -0.224 19.98 HCl 6.926e-10 1.199e-07 -9.160 -6.921 2.238 (0) -H(0) 1.196e-39 - H2 5.979e-40 2.007e-39 -39.223 -38.697 0.526 28.61 +H(0) 1.746e-16 + H2 8.728e-17 2.930e-16 -16.059 -15.533 0.526 28.61 Na 5.259e+00 Na+ 5.259e+00 7.329e+00 0.721 0.865 0.144 1.08 - NaOH 1.638e-17 5.498e-17 -16.786 -16.260 0.526 (0) -O(0) 4.158e-16 - O2 2.079e-16 6.978e-16 -15.682 -15.156 0.526 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.011 -61.485 0.526 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.60 -38.70 -3.10 H2 + H2(g) -12.43 -15.53 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.21 1.36 1.57 NaCl - O2(g) -12.26 -15.16 -2.89 O2 + O2(g) -58.59 -61.48 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29070,7 +28812,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = 10.771 Adjusted to redox equilibrium + pe = 10.746 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 243692 Density (g/cm³) = 1.17628 Volume (L) = 1.11575 @@ -29078,11 +28820,11 @@ Reaction 1. Activity of water = 0.818 Ionic strength (mol/kgw) = 5.346e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.042e-16 + Total alkalinity (eq/kg) = 7.873e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.072e-09 + Electrical balance (eq) = 1.083e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 28 + Iterations = 26 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29097,22 +28839,21 @@ Reaction 1. Cl 5.346e+00 Cl- 5.346e+00 3.199e+00 0.728 0.505 -0.223 19.99 HCl 6.472e-10 1.220e-07 -9.189 -6.914 2.275 (0) -H(0) 1.454e-39 - H2 7.268e-40 2.489e-39 -39.139 -38.604 0.535 28.61 +H(0) 1.630e-39 + H2 8.152e-40 2.792e-39 -39.089 -38.554 0.535 28.61 Na 5.346e+00 Na+ 5.346e+00 7.563e+00 0.728 0.879 0.151 1.10 - NaOH 1.652e-17 5.659e-17 -16.782 -16.247 0.535 (0) -O(0) 2.631e-16 - O2 1.316e-16 4.506e-16 -15.881 -15.346 0.535 30.40 +O(0) 2.091e-16 + O2 1.046e-16 3.581e-16 -15.981 -15.446 0.535 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.50 -38.60 -3.10 H2 + H2(g) -35.45 -38.55 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.19 1.38 1.57 NaCl - O2(g) -12.45 -15.35 -2.89 O2 + O2(g) -12.55 -15.45 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29148,7 +28889,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = 10.756 Adjusted to redox equilibrium + pe = 10.877 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 244159 Density (g/cm³) = 1.17739 Volume (L) = 1.11668 @@ -29156,11 +28897,11 @@ Reaction 1. Activity of water = 0.817 Ionic strength (mol/kgw) = 5.386e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.624e-16 + Total alkalinity (eq/kg) = 2.240e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.843e-11 + Electrical balance (eq) = 1.812e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 24 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29175,22 +28916,21 @@ Reaction 1. Cl 5.386e+00 Cl- 5.386e+00 3.226e+00 0.731 0.509 -0.223 20.00 HCl 6.273e-10 1.229e-07 -9.203 -6.910 2.292 (0) -H(0) 1.541e-39 - H2 7.706e-40 2.663e-39 -39.113 -38.575 0.539 28.61 +H(0) 8.822e-40 + H2 4.411e-40 1.524e-39 -39.355 -38.817 0.539 28.61 Na 5.386e+00 Na+ 5.386e+00 7.673e+00 0.731 0.885 0.154 1.11 - NaOH 1.659e-17 5.734e-17 -16.780 -16.242 0.539 (0) -O(0) 2.269e-16 - O2 1.135e-16 3.922e-16 -15.945 -15.407 0.539 30.40 +O(0) 6.927e-16 + O2 3.464e-16 1.197e-15 -15.460 -14.922 0.539 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.47 -38.57 -3.10 H2 + H2(g) -35.72 -38.82 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.18 1.39 1.57 NaCl - O2(g) -12.51 -15.41 -2.89 O2 + O2(g) -12.03 -14.92 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29226,7 +28966,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -0.802 Adjusted to redox equilibrium + pe = -0.951 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 245377 Density (g/cm³) = 1.18042 Volume (L) = 1.11922 @@ -29234,11 +28974,11 @@ Reaction 1. Activity of water = 0.813 Ionic strength (mol/kgw) = 5.495e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.744e-17 + Total alkalinity (eq/kg) = 2.780e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.481e-09 + Electrical balance (eq) = 4.999e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 11 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29253,22 +28993,21 @@ Reaction 1. Cl 5.495e+00 Cl- 5.495e+00 3.299e+00 0.740 0.518 -0.222 20.02 HCl 5.756e-10 1.256e-07 -9.240 -6.901 2.339 (0) -H(0) 1.956e-16 - H2 9.781e-17 3.467e-16 -16.010 -15.460 0.550 28.61 +H(0) 3.885e-16 + H2 1.942e-16 6.884e-16 -15.712 -15.162 0.550 28.61 Na 5.495e+00 Na+ 5.495e+00 7.979e+00 0.740 0.902 0.162 1.14 - NaOH 1.677e-17 5.943e-17 -16.775 -16.226 0.550 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.189 -61.639 0.550 30.40 + O2 0.000e+00 0.000e+00 -62.785 -62.235 0.550 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.36 -15.46 -3.10 H2 + H2(g) -12.06 -15.16 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.15 1.42 1.57 NaCl - O2(g) -58.75 -61.64 -2.89 O2 + O2(g) -59.34 -62.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29304,7 +29043,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = -1.024 Adjusted to redox equilibrium + pe = 10.626 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 245878 Density (g/cm³) = 1.18173 Volume (L) = 1.12032 @@ -29312,11 +29051,11 @@ Reaction 1. Activity of water = 0.812 Ionic strength (mol/kgw) = 5.543e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.356e-16 + Total alkalinity (eq/kg) = -1.082e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.735e-08 + Electrical balance (eq) = 4.941e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 21 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29331,22 +29070,21 @@ Reaction 1. Cl 5.543e+00 Cl- 5.543e+00 3.331e+00 0.744 0.523 -0.221 20.02 HCl 5.544e-10 1.267e-07 -9.256 -6.897 2.359 (0) -H(0) 5.389e-16 - H2 2.695e-16 9.655e-16 -15.569 -15.015 0.554 28.61 +H(0) 2.703e-39 + H2 1.351e-39 4.842e-39 -38.869 -38.315 0.554 28.61 Na 5.543e+00 Na+ 5.543e+00 8.114e+00 0.744 0.909 0.166 1.15 - NaOH 1.685e-17 6.036e-17 -16.774 -16.219 0.554 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.085 -62.531 0.554 30.40 +O(0) 6.536e-17 + O2 3.268e-17 1.171e-16 -16.486 -15.931 0.554 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.91 -15.02 -3.10 H2 + H2(g) -35.21 -38.31 -3.10 H2 H2O(g) -1.59 -0.09 1.50 H2O Halite -0.14 1.43 1.57 NaCl - O2(g) -59.64 -62.53 -2.89 O2 + O2(g) -13.04 -15.93 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29382,7 +29120,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = -0.684 Adjusted to redox equilibrium + pe = 11.231 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248316 Density (g/cm³) = 1.18877 Volume (L) = 1.12634 @@ -29390,11 +29128,11 @@ Reaction 1. Activity of water = 0.803 Ionic strength (mol/kgw) = 5.800e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.374e-17 + Total alkalinity (eq/kg) = -3.225e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.750e-11 + Electrical balance (eq) = 1.276e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 59 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29409,22 +29147,21 @@ Reaction 1. Cl 5.800e+00 Cl- 5.800e+00 3.506e+00 0.763 0.545 -0.219 20.06 HCl 4.519e-10 1.329e-07 -9.345 -6.876 2.468 (0) -H(0) 1.055e-16 - H2 5.274e-17 2.005e-16 -16.278 -15.698 0.580 28.61 +H(0) 0.000e+00 + H2 0.000e+00 2.959e-40 -40.109 -39.529 0.580 28.61 Na 5.800e+00 Na+ 5.800e+00 8.882e+00 0.763 0.948 0.185 1.21 - NaOH 1.725e-17 6.557e-17 -16.763 -16.183 0.580 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.755 -61.175 0.580 30.40 +O(0) 1.615e-14 + O2 8.073e-15 3.069e-14 -14.093 -13.513 0.580 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.60 -15.70 -3.10 H2 + H2(g) -36.43 -39.53 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.08 1.49 1.57 NaCl - O2(g) -58.28 -61.18 -2.89 O2 + O2(g) -10.62 -13.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29460,7 +29197,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 11.394 Adjusted to redox equilibrium + pe = 11.243 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248336 Density (g/cm³) = 1.18884 Volume (L) = 1.12640 @@ -29468,11 +29205,11 @@ Reaction 1. Activity of water = 0.803 Ionic strength (mol/kgw) = 5.802e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.219e-16 + Total alkalinity (eq/kg) = -3.406e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.576e-08 + Electrical balance (eq) = 4.717e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 33 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29488,21 +29225,20 @@ Cl 5.802e+00 Cl- 5.802e+00 3.507e+00 0.764 0.545 -0.219 20.06 HCl 4.511e-10 1.330e-07 -9.346 -6.876 2.469 (0) H(0) 0.000e+00 - H2 0.000e+00 1.396e-40 -40.435 -39.855 0.580 28.61 + H2 0.000e+00 2.801e-40 -40.133 -39.553 0.580 28.61 Na 5.802e+00 Na+ 5.802e+00 8.889e+00 0.764 0.949 0.185 1.21 - NaOH 1.725e-17 6.562e-17 -16.763 -16.183 0.580 (0) -O(0) 7.244e-14 - O2 3.622e-14 1.378e-13 -13.441 -12.861 0.580 30.40 +O(0) 1.800e-14 + O2 8.999e-15 3.423e-14 -14.046 -13.466 0.580 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.75 -39.86 -3.10 H2 + H2(g) -36.45 -39.55 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.08 1.49 1.57 NaCl - O2(g) -9.97 -12.86 -2.89 O2 + O2(g) -10.57 -13.47 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29538,7 +29274,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = 10.513 Adjusted to redox equilibrium + pe = 11.295 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248509 Density (g/cm³) = 1.18939 Volume (L) = 1.12688 @@ -29546,11 +29282,11 @@ Reaction 1. Activity of water = 0.802 Ionic strength (mol/kgw) = 5.823e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.284e-16 + Total alkalinity (eq/kg) = 6.227e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.015e-09 + Electrical balance (eq) = 1.392e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 64 + Iterations = 32 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29565,22 +29301,21 @@ Reaction 1. Cl 5.823e+00 Cl- 5.823e+00 3.521e+00 0.765 0.547 -0.218 20.07 HCl 4.438e-10 1.335e-07 -9.353 -6.875 2.478 (0) -H(0) 4.226e-39 - H2 2.113e-39 8.076e-39 -38.675 -38.093 0.582 28.61 +H(0) 0.000e+00 + H2 0.000e+00 2.201e-40 -40.240 -39.657 0.582 28.61 Na 5.823e+00 Na+ 5.823e+00 8.952e+00 0.765 0.952 0.187 1.21 - NaOH 1.728e-17 6.605e-17 -16.762 -16.180 0.582 (0) -O(0) 2.152e-17 - O2 1.076e-17 4.112e-17 -16.968 -16.386 0.582 30.40 +O(0) 2.897e-14 + O2 1.448e-14 5.535e-14 -13.839 -13.257 0.582 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -34.99 -38.09 -3.10 H2 + H2(g) -36.56 -39.66 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.07 1.50 1.57 NaCl - O2(g) -13.49 -16.39 -2.89 O2 + O2(g) -10.36 -13.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29616,7 +29351,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -1.379 Adjusted to redox equilibrium + pe = -1.029 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 248608 Density (g/cm³) = 1.18971 Volume (L) = 1.12715 @@ -29624,11 +29359,11 @@ Reaction 1. Activity of water = 0.802 Ionic strength (mol/kgw) = 5.835e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.111e-16 + Total alkalinity (eq/kg) = 1.333e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.259e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Electrical balance (eq) = -4.732e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29643,22 +29378,21 @@ Reaction 1. Cl 5.835e+00 Cl- 5.835e+00 3.529e+00 0.766 0.548 -0.218 20.07 HCl 4.397e-10 1.337e-07 -9.357 -6.874 2.483 (0) -H(0) 2.565e-15 - H2 1.282e-15 4.914e-15 -14.892 -14.309 0.583 28.61 +H(0) 5.112e-16 + H2 2.556e-16 9.795e-16 -15.592 -15.009 0.583 28.61 Na 5.835e+00 Na+ 5.835e+00 8.989e+00 0.766 0.954 0.188 1.22 - NaOH 1.730e-17 6.630e-17 -16.762 -16.179 0.583 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.538 -63.955 0.583 30.40 + O2 0.000e+00 0.000e+00 -63.138 -62.554 0.583 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.21 -14.31 -3.10 H2 + H2(g) -11.91 -15.01 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.07 1.50 1.57 NaCl - O2(g) -61.06 -63.95 -2.89 O2 + O2(g) -59.66 -62.55 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29694,7 +29428,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.959 Charge balance - pe = -1.267 Adjusted to redox equilibrium + pe = 10.474 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249543 Density (g/cm³) = 1.19287 Volume (L) = 1.12991 @@ -29702,11 +29436,11 @@ Reaction 1. Activity of water = 0.798 Ionic strength (mol/kgw) = 5.952e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.506e-16 + Total alkalinity (eq/kg) = 1.529e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.184e-11 + Electrical balance (eq) = 3.069e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 + Iterations = 30 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29721,22 +29455,21 @@ Reaction 1. Cl 5.952e+00 Cl- 5.952e+00 3.610e+00 0.775 0.558 -0.217 20.09 HCl 4.003e-10 1.366e-07 -9.398 -6.865 2.533 (0) -H(0) 1.483e-15 - H2 7.416e-16 2.920e-15 -15.130 -14.535 0.595 28.61 +H(0) 4.890e-39 + H2 2.445e-39 9.626e-39 -38.612 -38.017 0.595 28.61 Na 5.952e+00 Na+ 5.952e+00 9.360e+00 0.775 0.971 0.197 1.24 - NaOH 1.748e-17 6.880e-17 -16.758 -16.162 0.595 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.102 -63.507 0.595 30.40 +O(0) 1.454e-17 + O2 7.271e-18 2.863e-17 -17.138 -16.543 0.595 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.43 -14.53 -3.10 H2 + H2(g) -34.92 -38.02 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.04 1.53 1.57 NaCl - O2(g) -60.61 -63.51 -2.89 O2 + O2(g) -13.65 -16.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29772,7 +29505,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 10.794 Adjusted to redox equilibrium + pe = -1.102 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 249901 Density (g/cm³) = 1.19417 Volume (L) = 1.13105 @@ -29780,11 +29513,11 @@ Reaction 1. Activity of water = 0.796 Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.429e-16 + Total alkalinity (eq/kg) = -4.465e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.651e-15 + Electrical balance (eq) = 9.019e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 21 + Iterations = 17 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29799,22 +29532,21 @@ Reaction 1. Cl 6.000e+00 Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 HCl 3.851e-10 1.378e-07 -9.414 -6.861 2.554 (0) -H(0) 1.104e-39 - H2 5.522e-40 2.198e-39 -39.258 -38.658 0.600 28.61 +H(0) 6.846e-16 + H2 3.423e-16 1.363e-15 -15.466 -14.866 0.600 28.61 Na 6.000e+00 Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 - NaOH 1.755e-17 6.985e-17 -16.756 -16.156 0.600 (0) -O(0) 2.745e-16 - O2 1.373e-16 5.465e-16 -15.862 -15.262 0.600 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.447 -62.847 0.600 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.56 -38.66 -3.10 H2 + H2(g) -11.76 -14.87 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.03 1.54 1.57 NaCl - O2(g) -12.37 -15.26 -2.89 O2 + O2(g) -59.95 -62.85 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29850,7 +29582,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 10.763 Adjusted to redox equilibrium + pe = -0.661 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 250056 Density (g/cm³) = 1.19474 Volume (L) = 1.13156 @@ -29858,11 +29590,11 @@ Reaction 1. Activity of water = 0.795 Ionic strength (mol/kgw) = 6.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.097e-16 + Total alkalinity (eq/kg) = -5.011e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.379e-09 + Electrical balance (eq) = 3.061e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 22 + Iterations = 19 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29877,22 +29609,21 @@ Reaction 1. Cl 6.022e+00 Cl- 6.022e+00 3.658e+00 0.780 0.563 -0.216 20.10 HCl 3.784e-10 1.383e-07 -9.422 -6.859 2.563 (0) -H(0) 1.267e-39 - H2 6.336e-40 2.535e-39 -39.198 -38.596 0.602 28.61 +H(0) 8.945e-17 + H2 4.472e-17 1.789e-16 -16.349 -15.747 0.602 28.61 Na 6.022e+00 Na+ 6.022e+00 9.587e+00 0.780 0.982 0.202 1.26 - NaOH 1.758e-17 7.033e-17 -16.755 -16.153 0.602 (0) -O(0) 2.051e-16 - O2 1.025e-16 4.103e-16 -15.989 -15.387 0.602 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -61.687 -61.084 0.602 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.49 -38.60 -3.10 H2 + H2(g) -12.65 -15.75 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.03 1.54 1.57 NaCl - O2(g) -12.49 -15.39 -2.89 O2 + O2(g) -58.19 -61.08 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -29928,7 +29659,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = -1.207 Adjusted to redox equilibrium + pe = 10.463 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 250597 Density (g/cm³) = 1.19684 Volume (L) = 1.13341 @@ -29936,11 +29667,11 @@ Reaction 1. Activity of water = 0.793 Ionic strength (mol/kgw) = 6.100e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.413e-16 + Total alkalinity (eq/kg) = 4.904e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.732e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 24 + Electrical balance (eq) = 9.175e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 23 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -29955,22 +29686,21 @@ Reaction 1. Cl 6.100e+00 Cl- 6.100e+00 3.713e+00 0.785 0.570 -0.216 20.11 HCl 3.553e-10 1.402e-07 -9.449 -6.853 2.596 (0) -H(0) 1.085e-15 - H2 5.426e-16 2.211e-15 -15.266 -14.656 0.610 28.61 +H(0) 4.945e-39 + H2 2.473e-39 1.007e-38 -38.607 -37.997 0.610 28.61 Na 6.100e+00 Na+ 6.100e+00 9.846e+00 0.785 0.993 0.208 1.27 - NaOH 1.769e-17 7.207e-17 -16.752 -16.142 0.610 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.881 -63.271 0.610 30.40 +O(0) 1.267e-17 + O2 6.336e-18 2.581e-17 -17.198 -16.588 0.610 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.55 -14.66 -3.10 H2 + H2(g) -34.90 -38.00 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O Halite -0.01 1.56 1.57 NaCl - O2(g) -60.38 -63.27 -2.89 O2 + O2(g) -13.70 -16.59 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -45829,7 +45559,6 @@ H(0) 3.230e-17 H2 1.615e-17 1.615e-17 -16.792 -16.792 0.000 28.61 Na 1.000e-06 Na+ 1.000e-06 9.988e-07 -6.000 -6.001 -0.001 -1.52 - NaOH 1.005e-23 1.005e-23 -22.998 -22.998 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.796 -58.796 0.000 30.40 @@ -45882,9 +45611,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 2.001e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.042e-17 + Total alkalinity (eq/kg) = 3.025e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.184e-17 + Electrical balance (eq) = -3.176e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -45905,7 +45634,6 @@ H(0) 3.423e-40 H2 1.712e-40 1.713e-40 -39.767 -39.766 0.000 28.61 Na 2.001e-03 Na+ 2.001e-03 1.905e-03 -2.699 -2.720 -0.021 -1.46 - NaOH 1.913e-20 1.914e-20 -19.718 -19.718 0.000 (0) O(0) 2.841e-13 O2 1.421e-13 1.421e-13 -12.848 -12.847 0.000 30.40 @@ -45958,9 +45686,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 4.001e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.010e-17 + Total alkalinity (eq/kg) = 2.991e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.430e-17 + Electrical balance (eq) = -3.423e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -45981,7 +45709,6 @@ H(0) 3.420e-40 H2 1.710e-40 1.712e-40 -39.767 -39.767 0.000 28.61 Na 4.001e-03 Na+ 4.001e-03 3.739e-03 -2.398 -2.427 -0.029 -1.43 - NaOH 3.748e-20 3.751e-20 -19.426 -19.426 0.000 (0) O(0) 2.842e-13 O2 1.421e-13 1.422e-13 -12.847 -12.847 0.000 30.40 @@ -46034,9 +45761,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 6.001e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.995e-17 + Total alkalinity (eq/kg) = 2.974e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.846e-17 + Electrical balance (eq) = 9.854e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -46057,7 +45784,6 @@ H(0) 3.418e-40 H2 1.709e-40 1.711e-40 -39.767 -39.767 0.001 28.61 Na 6.001e-03 Na+ 6.001e-03 5.533e-03 -2.222 -2.257 -0.035 -1.41 - NaOH 5.536e-20 5.544e-20 -19.257 -19.256 0.001 (0) O(0) 2.842e-13 O2 1.421e-13 1.423e-13 -12.847 -12.847 0.001 30.40 @@ -46110,9 +45836,9 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 8.001e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.032e-17 + Total alkalinity (eq/kg) = 3.009e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.038e-16 + Electrical balance (eq) = 1.039e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -46133,7 +45859,6 @@ H(0) 3.459e-40 H2 1.729e-40 1.733e-40 -39.762 -39.761 0.001 28.61 Na 8.001e-03 Na+ 8.001e-03 7.296e-03 -2.097 -2.137 -0.040 -1.39 - NaOH 7.289e-20 7.303e-20 -19.137 -19.137 0.001 (0) O(0) 2.771e-13 O2 1.385e-13 1.388e-13 -12.858 -12.858 0.001 30.40 @@ -46186,7 +45911,7 @@ Reaction 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.117e-17 + Total alkalinity (eq/kg) = 3.094e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.001e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46209,7 +45934,6 @@ H(0) 3.456e-40 H2 1.728e-40 1.732e-40 -39.762 -39.761 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.034e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.013e-20 9.033e-20 -19.045 -19.044 0.001 (0) O(0) 2.771e-13 O2 1.385e-13 1.389e-13 -12.858 -12.857 0.001 30.40 @@ -46262,9 +45986,9 @@ Reaction 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.973e-17 + Total alkalinity (eq/kg) = 2.934e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.171e-16 + Electrical balance (eq) = 1.172e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -46285,7 +46009,6 @@ H(0) 3.387e-40 H2 1.693e-40 1.705e-40 -39.771 -39.768 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 2.519e-19 2.537e-19 -18.599 -18.596 0.003 (0) O(0) 2.842e-13 O2 1.421e-13 1.431e-13 -12.847 -12.844 0.003 30.40 @@ -46338,7 +46061,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 5.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.922e-17 + Total alkalinity (eq/kg) = 2.867e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.674e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46361,7 +46084,6 @@ H(0) 3.361e-40 H2 1.681e-40 1.700e-40 -39.775 -39.770 0.005 28.61 Na 5.000e-02 Na+ 5.000e-02 4.124e-02 -1.301 -1.385 -0.084 -1.21 - NaOH 4.018e-19 4.065e-19 -18.396 -18.391 0.005 (0) O(0) 2.842e-13 O2 1.421e-13 1.437e-13 -12.847 -12.842 0.005 30.40 @@ -46414,7 +46136,7 @@ Reaction 1. Activity of water = 0.998 Ionic strength (mol/kgw) = 7.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.125e-17 + Total alkalinity (eq/kg) = 2.057e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.685e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46437,7 +46159,6 @@ H(0) 3.336e-40 H2 1.668e-40 1.695e-40 -39.778 -39.771 0.007 28.61 Na 7.000e-02 Na+ 7.000e-02 5.639e-02 -1.155 -1.249 -0.094 -1.16 - NaOH 5.441e-19 5.530e-19 -18.264 -18.257 0.007 (0) O(0) 2.842e-13 O2 1.421e-13 1.444e-13 -12.847 -12.840 0.007 30.40 @@ -46490,7 +46211,7 @@ Reaction 1. Activity of water = 0.997 Ionic strength (mol/kgw) = 9.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.573e-17 + Total alkalinity (eq/kg) = 2.491e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.685e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46513,7 +46234,6 @@ H(0) 3.311e-40 H2 1.655e-40 1.690e-40 -39.781 -39.772 0.009 28.61 Na 9.000e-02 Na+ 9.000e-02 7.120e-02 -1.046 -1.148 -0.102 -1.11 - NaOH 6.808e-19 6.951e-19 -18.167 -18.158 0.009 (0) O(0) 2.842e-13 O2 1.421e-13 1.451e-13 -12.847 -12.838 0.009 30.40 @@ -46566,7 +46286,7 @@ Reaction 1. Activity of water = 0.990 Ionic strength (mol/kgw) = 2.900e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.602e-17 + Total alkalinity (eq/kg) = 2.402e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.831e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46585,11 +46305,10 @@ Reaction 1. Cl 2.900e-01 Cl- 2.900e-01 1.996e-01 -0.538 -0.700 -0.162 18.54 HCl 5.464e-09 7.260e-09 -8.263 -8.139 0.123 (0) -H(0) 3.069e-40 +H(0) 3.068e-40 H2 1.534e-40 1.640e-40 -39.814 -39.785 0.029 28.61 Na 2.900e-01 Na+ 2.900e-01 2.122e-01 -0.538 -0.673 -0.136 -0.82 - NaOH 1.883e-18 2.013e-18 -17.725 -17.696 0.029 (0) O(0) 2.842e-13 O2 1.421e-13 1.519e-13 -12.847 -12.818 0.029 30.40 @@ -46642,7 +46361,7 @@ Reaction 1. Activity of water = 0.983 Ionic strength (mol/kgw) = 4.900e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.233e-17 + Total alkalinity (eq/kg) = -3.539e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 4.529e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46665,7 +46384,6 @@ H(0) 2.844e-40 H2 1.422e-40 1.592e-40 -39.847 -39.798 0.049 28.61 Na 4.900e-01 Na+ 4.900e-01 3.517e-01 -0.310 -0.454 -0.144 -0.64 - NaOH 2.927e-18 3.277e-18 -17.534 -17.485 0.049 (0) O(0) 2.842e-13 O2 1.421e-13 1.591e-13 -12.847 -12.798 0.049 30.40 @@ -46718,7 +46436,7 @@ Reaction 1. Activity of water = 0.977 Ionic strength (mol/kgw) = 6.900e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.162e-17 + Total alkalinity (eq/kg) = -4.564e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 4.535e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46741,7 +46459,6 @@ H(0) 2.636e-40 H2 1.318e-40 1.545e-40 -39.880 -39.811 0.069 28.61 Na 6.900e-01 Na+ 6.900e-01 4.954e-01 -0.161 -0.305 -0.144 -0.49 - NaOH 3.877e-18 4.544e-18 -17.412 -17.343 0.069 (0) O(0) 2.842e-13 O2 1.421e-13 1.666e-13 -12.847 -12.778 0.069 30.40 @@ -46794,7 +46511,7 @@ Reaction 1. Activity of water = 0.970 Ionic strength (mol/kgw) = 8.900e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.562e-16 + Total alkalinity (eq/kg) = -1.611e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 4.535e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46817,7 +46534,6 @@ H(0) 2.442e-40 H2 1.221e-40 1.499e-40 -39.913 -39.824 0.089 28.61 Na 8.900e-01 Na+ 8.900e-01 6.455e-01 -0.051 -0.190 -0.140 -0.37 - NaOH 4.757e-18 5.839e-18 -17.323 -17.234 0.089 (0) O(0) 2.843e-13 O2 1.421e-13 1.745e-13 -12.847 -12.758 0.089 30.40 @@ -46870,7 +46586,7 @@ Reaction 1. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.390e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.566e-16 + Total alkalinity (eq/kg) = -1.635e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 5.777e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46893,7 +46609,6 @@ H(0) 0.000e+00 H2 0.000e+00 1.373e-40 -40.001 -39.862 0.139 28.61 Na 1.390e+00 Na+ 1.390e+00 1.057e+00 0.143 0.024 -0.119 -0.11 - NaOH 6.726e-18 9.263e-18 -17.172 -17.033 0.139 (0) O(0) 2.914e-13 O2 1.457e-13 2.007e-13 -12.837 -12.698 0.139 30.40 @@ -46946,7 +46661,7 @@ Reaction 1. Activity of water = 0.936 Ionic strength (mol/kgw) = 1.890e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.099e-16 + Total alkalinity (eq/kg) = -2.186e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 5.780e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46969,7 +46684,6 @@ H(0) 0.000e+00 H2 0.000e+00 1.273e-40 -40.084 -39.895 0.189 28.61 Na 1.890e+00 Na+ 1.890e+00 1.530e+00 0.276 0.185 -0.092 0.10 - NaOH 8.444e-18 1.305e-17 -17.073 -16.884 0.189 (0) O(0) 2.914e-13 O2 1.457e-13 2.252e-13 -12.836 -12.647 0.189 30.40 @@ -47022,7 +46736,7 @@ Reaction 1. Activity of water = 0.919 Ionic strength (mol/kgw) = 2.390e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.205e-16 + Total alkalinity (eq/kg) = -1.308e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 5.781e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47045,7 +46759,6 @@ H(0) 0.000e+00 H2 0.000e+00 1.166e-40 -40.172 -39.933 0.239 28.61 Na 2.390e+00 Na+ 2.390e+00 2.078e+00 0.378 0.318 -0.061 0.28 - NaOH 9.973e-18 1.729e-17 -17.001 -16.762 0.239 (0) O(0) 2.985e-13 O2 1.492e-13 2.588e-13 -12.826 -12.587 0.239 30.40 @@ -47098,7 +46811,7 @@ Reaction 1. Activity of water = 0.902 Ionic strength (mol/kgw) = 2.890e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.941e-17 + Total alkalinity (eq/kg) = 4.426e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.781e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47121,9 +46834,8 @@ H(0) 0.000e+00 H2 0.000e+00 1.094e-40 -40.250 -39.961 0.289 28.61 Na 2.890e+00 Na+ 2.890e+00 2.713e+00 0.461 0.433 -0.027 0.45 - NaOH 1.135e-17 2.208e-17 -16.945 -16.656 0.289 (0) O(0) 2.913e-13 - O2 1.456e-13 2.833e-13 -12.837 -12.548 0.289 30.40 + O2 1.457e-13 2.833e-13 -12.837 -12.548 0.289 30.40 ------------------------------Saturation indices------------------------------- @@ -47174,7 +46886,7 @@ Reaction 1. Activity of water = 0.885 Ionic strength (mol/kgw) = 3.390e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.697e-16 + Total alkalinity (eq/kg) = -2.932e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 6.776e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47197,7 +46909,6 @@ H(0) 0.000e+00 H2 0.000e+00 1.013e-40 -40.333 -39.994 0.339 28.61 Na 3.390e+00 Na+ 3.390e+00 3.446e+00 0.530 0.537 0.007 0.60 - NaOH 1.260e-17 2.750e-17 -16.900 -16.561 0.339 (0) O(0) 2.915e-13 O2 1.457e-13 3.181e-13 -12.836 -12.497 0.339 30.40 @@ -47250,7 +46961,7 @@ Reaction 1. Activity of water = 0.868 Ionic strength (mol/kgw) = 3.890e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.087e-16 + Total alkalinity (eq/kg) = -3.162e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 8.937e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47273,7 +46984,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.422 -40.033 0.389 28.61 Na 3.890e+00 Na+ 3.890e+00 4.294e+00 0.590 0.633 0.043 0.74 - NaOH 1.374e-17 3.365e-17 -16.862 -16.473 0.389 (0) O(0) 2.986e-13 O2 1.493e-13 3.656e-13 -12.826 -12.437 0.389 30.40 @@ -47326,7 +47036,7 @@ Reaction 1. Activity of water = 0.851 Ionic strength (mol/kgw) = 4.390e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.556e-16 + Total alkalinity (eq/kg) = -1.642e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 9.802e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47349,7 +47059,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.506 -40.067 0.439 28.61 Na 4.390e+00 Na+ 4.390e+00 5.270e+00 0.642 0.722 0.079 0.87 - NaOH 1.478e-17 4.062e-17 -16.830 -16.391 0.439 (0) O(0) 2.985e-13 O2 1.493e-13 4.101e-13 -12.826 -12.387 0.439 30.40 @@ -47402,7 +47111,7 @@ Reaction 1. Activity of water = 0.834 Ionic strength (mol/kgw) = 4.890e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.043e-16 + Total alkalinity (eq/kg) = -2.140e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.019e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47425,7 +47134,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.589 -40.100 0.489 28.61 Na 4.890e+00 Na+ 4.890e+00 6.394e+00 0.689 0.806 0.116 1.00 - NaOH 1.573e-17 4.850e-17 -16.803 -16.314 0.489 (0) O(0) 2.985e-13 O2 1.493e-13 4.602e-13 -12.826 -12.337 0.489 30.40 @@ -47478,7 +47186,7 @@ Reaction 1. Activity of water = 0.817 Ionic strength (mol/kgw) = 5.390e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.146e-17 + Total alkalinity (eq/kg) = -3.212e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.037e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47501,7 +47209,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.673 -40.134 0.539 28.61 Na 5.390e+00 Na+ 5.390e+00 7.684e+00 0.732 0.886 0.154 1.11 - NaOH 1.660e-17 5.742e-17 -16.780 -16.241 0.539 (0) O(0) 2.984e-13 O2 1.492e-13 5.162e-13 -12.826 -12.287 0.539 30.40 @@ -47554,7 +47261,7 @@ Reaction 1. Activity of water = 0.800 Ionic strength (mol/kgw) = 5.890e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.884e-16 + Total alkalinity (eq/kg) = -2.000e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.047e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47577,7 +47284,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.758 -40.169 0.589 28.61 Na 5.890e+00 Na+ 5.890e+00 9.163e+00 0.770 0.962 0.192 1.23 - NaOH 1.738e-17 6.747e-17 -16.760 -16.171 0.589 (0) O(0) 2.985e-13 O2 1.493e-13 5.794e-13 -12.826 -12.237 0.589 30.40 @@ -47630,7 +47336,7 @@ Reaction 1. Activity of water = 0.783 Ionic strength (mol/kgw) = 6.390e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.346e-16 + Total alkalinity (eq/kg) = 1.222e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.052e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47653,7 +47359,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.847 -40.208 0.639 28.61 Na 6.390e+00 Na+ 6.390e+00 1.086e+01 0.806 1.036 0.230 1.34 - NaOH 1.809e-17 7.880e-17 -16.742 -16.103 0.639 (0) O(0) 3.055e-13 O2 1.527e-13 6.652e-13 -12.816 -12.177 0.639 30.40 @@ -47706,7 +47411,7 @@ Reaction 1. Activity of water = 0.766 Ionic strength (mol/kgw) = 6.890e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.843e-16 + Total alkalinity (eq/kg) = 2.712e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.055e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -47729,7 +47434,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.931 -40.242 0.689 28.61 Na 6.890e+00 Na+ 6.890e+00 1.279e+01 0.838 1.107 0.269 1.44 - NaOH 1.873e-17 9.154e-17 -16.727 -16.038 0.689 (0) O(0) 3.054e-13 O2 1.527e-13 7.462e-13 -12.816 -12.127 0.689 30.40 diff --git a/mytest/Vm_salt_fig_101.sel b/mytest/Vm_salt_fig_101.sel index 9256e8298..cc665cf18 100644 --- a/mytest/Vm_salt_fig_101.sel +++ b/mytest/Vm_salt_fig_101.sel @@ -120,456 +120,456 @@ 9.446737147766 1043020.0316635096 9.809250541865 1036313.8764073607 0.000000100644 0.0547821292 - 0.004107107471 494.2358538163 - 0.009920110755 1168.5695548957 - 0.010110110839 1190.2975168030 - 0.010290110917 1210.8664449932 - 0.041200118738 4595.9432508127 - 0.050020120105 5525.4520823999 - 0.050030120106 5526.4991436291 - 0.052243120420 5757.8565527286 - 0.052500120456 5784.6790145335 - 0.057600121140 6315.0649092285 - 0.058200121217 6377.2333577144 - 0.061770121665 6746.1760606645 - 0.063200121838 6893.5099892903 - 0.066620122242 7244.8675737218 - 0.076990123371 8302.0526490674 - 0.079400123616 8546.0820702279 - 0.080040123680 8610.7860931670 - 0.093300124921 9942.3641929735 - 0.094850125057 10096.9456936913 - 0.098600125377 10470.0548753948 - 0.099450125448 10554.4563766705 - 0.099700125469 10579.2685521812 - 0.099890125485 10598.1222319950 - 0.099900125486 10599.1144455419 - 0.100000125494 10609.0361117341 - 0.100000125494 10609.0361117341 - 0.100000125494 10609.0361117341 - 0.100000125494 10609.0361117341 - 0.100200125511 10628.8768865153 - 0.100390125526 10647.7224679864 - 0.100390125526 10647.7224679864 - 0.100900125569 10698.2928138573 - 0.103490125780 10954.7727436801 - 0.110940126364 11689.4568828225 - 0.112400126474 11832.9167456625 - 0.119760127014 12553.6215060489 - 0.120759127085 12651.1321350646 - 0.141670128467 14676.0560365122 - 0.143500128579 14851.8642658269 - 0.148600128886 15340.6931930144 - 0.154000129201 15856.5051663284 - 0.155400129281 15989.9427520666 - 0.162253129664 16641.4269382966 - 0.164800129803 16882.8546267799 - 0.165534129842 16952.3600682794 - 0.173500130263 17704.7208381110 - 0.176900130437 18024.7588486416 - 0.178420130514 18167.6295582471 - 0.197490131432 19949.6733649152 - 0.198100131461 20006.3666129731 - 0.198490131478 20042.6033283651 - 0.200000131547 20182.8325659769 - 0.200000131547 20182.8325659769 - 0.200090131552 20191.1870005555 - 0.200090131552 20191.1870005555 - 0.201288131606 20302.3553707906 - 0.201720131625 20342.4252928324 - 0.212622132106 21350.6087552213 - 0.218700132365 21910.2075095297 - 0.230000132829 22946.0300033178 - 0.236310133079 23521.9231466933 - 0.249900133598 24756.3030937350 - 0.250930133636 24849.5342396504 - 0.255400133800 25253.6201899709 - 0.258360133908 25520.7420442812 - 0.262370134052 25882.0403975492 - 0.280763134687 27530.8794959030 - 0.288000134926 28175.9698135196 - 0.299180135285 29168.5747424832 - 0.299720135302 29216.3983473663 - 0.299720135302 29216.3983473663 - 0.299900135308 29232.3369955783 - 0.300000135311 29241.1913254507 - 0.300260135319 29264.2108284154 - 0.300481135326 29283.7754137375 - 0.304200135443 29612.7355627322 - 0.309342135601 30066.7199800942 - 0.320000135923 31004.6264917169 - 0.329360136197 31824.9375477962 - 0.339500136487 32710.1205248221 - 0.347819136718 33433.6762897058 - 0.349500136764 33579.5957399170 - 0.351610136822 33762.6186925231 - 0.355200136919 34073.6717767837 - 0.360790137069 34557.1511088786 - 0.391400137854 37186.3986691836 - 0.399660138057 37890.7385798473 - 0.399660138057 37890.7385798473 - 0.400000138065 37919.6847841498 - 0.400090138067 37927.3464085461 - 0.400090138067 37927.3464085461 - 0.404043138163 38263.6121849257 - 0.405700138202 38404.4216065145 - 0.407040138234 38518.2304481087 - 0.420860138559 39688.7613142641 - 0.421200138567 39717.4850781869 - 0.436430138914 41000.5601585502 - 0.447600139162 41937.1930430471 - 0.447800139166 41953.9299946308 - 0.470800139658 43870.9146476840 - 0.497100140196 46044.4346323593 - 0.499460140243 46238.5256800134 - 0.499460140243 46238.5256800134 - 0.500000140254 46282.9146387625 - 0.500000140254 46282.9146387625 - 0.500000140254 46282.9146387625 - 0.500000140254 46282.9146387625 - 0.500000140254 46282.9146387625 - 0.501200140278 46381.5278709258 - 0.501800140290 46430.8195514160 - 0.501900140291 46439.0338640572 - 0.503000140313 46529.3730725611 - 0.505997140372 46775.3370077137 - 0.506771140387 46838.8190377739 - 0.528653140809 48626.7717865429 - 0.561400141412 51278.4962654380 - 0.568740141543 51868.9881318021 - 0.599710142079 54345.1733353221 - 0.599710142079 54345.1733353221 - 0.600000142084 54368.2443644866 - 0.650400142908 58345.8847047798 - 0.652000142933 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22.376699621818 89005.3233580679 + 23.634899621996 80949.3182071490 0.000001010044 0.4288236427 0.001999751161 835.7649178668 0.003996195098 1663.2822617372 @@ -597,54 +597,54 @@ 9.388572052006 1043955.2462675723 10.389325371225 1022672.1261263337 0.000001100730 0.1802865715 - 0.002001105536 243.7982377740 - 0.004001107390 481.7303006266 - 0.006001108747 716.2420530137 - 0.008001109850 948.1264341245 - 0.010001110791 1177.8345901658 - 0.030001116648 3396.1973708031 - 0.050001120102 5523.4626337134 - 0.070001122698 7590.8669671125 - 0.090001124701 9612.6307752056 - 0.290001135065 28353.9769193780 - 0.490001140128 45459.6650116654 - 0.690001144305 61427.6141387201 - 0.890001147000 76437.0641995396 - 1.390001152003 110291.7235111047 - 1.890001155676 139436.4737190511 - 2.390001158284 164316.7217997310 - 2.890001160162 185306.5979928858 - 3.390001161462 202765.6531200954 - 3.890001170575 217047.9531059127 - 4.390001173885 228498.7081632653 - 4.890001175181 237448.3498758798 - 5.390001175601 244207.2742278935 - 5.890001175559 249062.1872590461 - 6.390001175225 252274.1218316113 - 6.890001174683 254077.8740569387 - 0.000003100811 0.3102380797 - 0.006003104952 501.4527276106 - 0.012003104729 976.2758644204 - 0.018003104018 1436.7202376846 - 0.024003103124 1886.7352065608 - 0.030003102145 2328.4818397689 - 0.090003091833 6474.3505180455 - 0.150003082333 10338.1690233390 - 0.210003073706 14033.3213884824 - 0.270003065693 17605.2833069942 - 0.870003005321 49407.8154052484 - 1.470002963384 76663.6189437134 - 2.070002931298 100557.9929504445 - 2.670002903938 121550.5789951384 - 3.420002874485 144080.6698041876 - 4.170002848608 162751.6286546933 - 4.920002825376 177760.0121699704 - 5.670002813446 189281.3854288675 - 6.420002797323 197512.4919084457 - 7.170002780967 202692.3694314195 - 7.920002765410 205107.3795821111 - 8.670002750920 205084.2850984260 - 9.420002737537 202975.7441116532 + 0.002001105536 243.7982376904 + 0.004001107390 481.7303003853 + 0.006001108747 716.2420525701 + 0.008001109850 948.1264334436 + 0.010001110791 1177.8345892182 + 0.030001116648 3396.1973660559 + 0.050001120102 5523.4626237480 + 0.070001122698 7590.8669509119 + 0.090001124701 9612.6307519497 + 0.290001135065 28353.9767972598 + 0.490001140128 45459.6647612392 + 0.690001144305 61427.6137454598 + 0.890001147000 76437.0636569422 + 1.390001152003 110291.7225971963 + 1.890001155676 139436.4724688962 + 2.390001158284 164316.7202675135 + 2.890001160162 185306.5962383069 + 3.390001161462 202765.6512011855 + 3.890001170575 217047.9510752505 + 4.390001173885 228498.7060661910 + 4.890001175181 237448.3477499339 + 5.390001175601 244207.2721030131 + 5.890001175559 249062.1851582030 + 6.390001175225 252274.1197716819 + 6.890001174683 254077.8720496529 + 0.000003100811 0.3102380795 + 0.006003104952 501.4527269052 + 0.012003104729 976.2758627508 + 0.018003104018 1436.7202349072 + 0.024003103124 1886.7352025698 + 0.030003102145 2328.4818344791 + 0.090003091833 6474.3504968989 + 0.150003082333 10338.1689833652 + 0.210003073706 14033.3213280488 + 0.270003065693 17605.2832250870 + 0.870003005321 49407.8150993848 + 1.470002963384 76663.6184418146 + 2.070002931298 100557.9922936818 + 2.670002903938 121550.5782223586 + 3.420002874485 144080.6689337552 + 4.170002848608 162751.6277307898 + 4.920002825376 177760.0112286829 + 5.670002813446 189281.3844989563 + 6.420002797323 197512.4910119021 + 7.170002780967 202692.3685840163 + 7.920002765410 205107.3787940719 + 8.670002750920 205084.2843752404 + 9.420002737537 202975.7434549917 0.000001009935 0.4310074448 0.001999751285 823.1444157864 0.003996196022 1623.8504528913 diff --git a/mytest/Yang_mix.out b/mytest/Yang_mix.out index 30e45560e..e9aaf847e 100644 --- a/mytest/Yang_mix.out +++ b/mytest/Yang_mix.out @@ -141,7 +141,6 @@ K 9.080e-02 Na 6.840e-02 Na+ 6.005e-02 4.541e-02 -1.222 -1.343 -0.121 -0.98 NaSO4- 8.355e-03 6.333e-03 -2.078 -2.198 -0.120 -2.03 - NaOH 1.040e-21 1.081e-21 -20.983 -20.966 0.017 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.607 -52.590 0.017 30.40 S(6) 4.540e-02 @@ -188,7 +187,7 @@ Initial solution 2. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.685e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.113e-16 + Total alkalinity (eq/kg) = -1.119e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -1.872e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -215,7 +214,6 @@ K 7.950e-02 Na 7.950e-02 Na+ 6.985e-02 5.284e-02 -1.156 -1.277 -0.121 -0.98 NaSO4- 9.651e-03 7.317e-03 -2.015 -2.136 -0.120 -2.05 - NaOH 6.647e-19 6.910e-19 -18.177 -18.161 0.017 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.648 -41.631 0.017 30.40 S(6) 4.520e-02 @@ -289,7 +287,6 @@ K 6.680e-02 Na 9.280e-02 Na+ 8.139e-02 6.155e-02 -1.089 -1.211 -0.121 -0.98 NaSO4- 1.141e-02 8.647e-03 -1.943 -2.063 -0.120 -2.03 - NaOH 1.415e-21 1.471e-21 -20.849 -20.832 0.017 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.601 -52.584 0.017 30.40 S(6) 4.620e-02 @@ -336,7 +333,7 @@ Initial solution 4. Activity of water = 0.996 Ionic strength (mol/kgw) = 1.878e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.441e-15 + Total alkalinity (eq/kg) = -1.438e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -6.759e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -363,7 +360,6 @@ K 1.084e-01 Na 6.520e-02 Na+ 5.466e-02 4.105e-02 -1.262 -1.387 -0.124 -0.95 NaSO4- 1.054e-02 7.920e-03 -1.977 -2.101 -0.124 -1.35 - NaOH 5.569e-19 5.815e-19 -18.254 -18.235 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.511 -41.492 0.019 30.40 S(6) 6.500e-02 @@ -406,7 +402,7 @@ Initial solution 5. Specific Conductance (µS/cm, 25°C) = 16482 Density (g/cm³) = 1.00735 Volume (L) = 1.00538 - Viscosity (mPa s) = 0.91205 + Viscosity (mPa s) = 0.91206 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.856e-01 Mass of water (kg) = 1.000e+00 @@ -437,7 +433,6 @@ K 6.500e-02 Na 1.079e-01 Na+ 9.077e-02 6.821e-02 -1.042 -1.166 -0.124 -0.95 NaSO4- 1.713e-02 1.289e-02 -1.766 -1.890 -0.124 -1.43 - NaOH 9.319e-16 9.726e-16 -15.031 -15.012 0.019 (0) O(0) 6.332e-30 O2 3.166e-30 3.304e-30 -29.499 -29.481 0.019 30.40 S(6) 6.450e-02 @@ -486,7 +481,7 @@ Initial solution 6. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.000e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.294e-13 + Electrical balance (eq) = -4.293e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 (38 overall) Total H = 1.110125e+02 @@ -511,7 +506,6 @@ K 9.280e-02 Na 9.330e-02 Na+ 7.549e-02 5.639e-02 -1.122 -1.249 -0.127 -0.93 NaSO4- 1.781e-02 1.330e-02 -1.749 -1.876 -0.127 -0.84 - NaOH 1.707e-21 1.789e-21 -20.768 -20.747 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.112 -52.091 0.020 30.40 S(6) 8.270e-02 @@ -585,7 +579,6 @@ K 1.780e-01 Na 1.340e-01 Na+ 1.131e-01 8.238e-02 -0.947 -1.084 -0.138 -0.80 NaSO4- 2.093e-02 1.509e-02 -1.679 -1.821 -0.142 2.20 - NaOH 2.152e-21 2.314e-21 -20.667 -20.636 0.031 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.331 -52.300 0.031 30.40 S(6) 8.860e-02 @@ -632,7 +625,7 @@ Initial solution 8. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.135e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.733e-17 + Total alkalinity (eq/kg) = 6.628e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -2.026e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -659,7 +652,6 @@ K 1.552e-01 Na 1.564e-01 Na+ 1.322e-01 9.631e-02 -0.879 -1.016 -0.137 -0.80 NaSO4- 2.424e-02 1.748e-02 -1.615 -1.757 -0.142 2.17 - NaOH 1.226e-18 1.318e-18 -17.911 -17.880 0.031 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.580 -41.549 0.031 30.40 S(6) 8.840e-02 @@ -733,7 +725,6 @@ K 1.327e-01 Na 1.786e-01 Na+ 1.511e-01 1.101e-01 -0.821 -0.958 -0.137 -0.80 NaSO4- 2.750e-02 1.984e-02 -1.561 -1.703 -0.142 2.14 - NaOH 6.872e-16 7.385e-16 -15.163 -15.132 0.031 (0) O(0) 3.033e-31 O2 1.516e-31 1.630e-31 -30.819 -30.788 0.031 30.40 S(6) 8.840e-02 @@ -776,13 +767,13 @@ Initial solution 10. Specific Conductance (µS/cm, 25°C) = 31546 Density (g/cm³) = 1.01765 Volume (L) = 1.00888 - Viscosity (mPa s) = 0.92380 + Viscosity (mPa s) = 0.92381 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.479e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.882e-16 + Electrical balance (eq) = 9.159e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 (63 overall) Total H = 1.110125e+02 @@ -807,7 +798,6 @@ K 2.135e-01 Na 1.292e-01 Na+ 1.025e-01 7.434e-02 -0.989 -1.129 -0.139 -0.76 NaSO4- 2.670e-02 1.909e-02 -1.573 -1.719 -0.146 2.93 - NaOH 4.541e-16 4.920e-16 -15.343 -15.308 0.035 (0) O(0) 2.855e-31 O2 1.427e-31 1.546e-31 -30.845 -30.811 0.035 30.40 S(6) 1.279e-01 @@ -856,7 +846,7 @@ Initial solution 11. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.042e-14 + Electrical balance (eq) = 1.046e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 (70 overall) Total H = 1.110125e+02 @@ -881,7 +871,6 @@ K 2.635e-01 Na 1.985e-01 Na+ 1.631e-01 1.172e-01 -0.788 -0.931 -0.143 -0.67 NaSO4- 3.541e-02 2.479e-02 -1.451 -1.606 -0.155 4.96 - NaOH 6.766e-16 7.509e-16 -15.170 -15.124 0.045 (0) O(0) 2.463e-31 O2 1.232e-31 1.367e-31 -30.909 -30.864 0.045 30.40 S(6) 1.308e-01 @@ -955,7 +944,6 @@ K 2.295e-01 Na 2.314e-01 Na+ 1.906e-01 1.371e-01 -0.720 -0.863 -0.143 -0.67 NaSO4- 4.078e-02 2.856e-02 -1.390 -1.544 -0.155 4.91 - NaOH 3.747e-21 4.156e-21 -20.426 -20.381 0.045 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.208 -52.163 0.045 30.40 S(6) 1.304e-01 @@ -1002,7 +990,7 @@ Initial solution 13. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.427e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.520e-15 + Total alkalinity (eq/kg) = -1.521e-15 Temperature (°C) = 25.00 Electrical balance (eq) = 2.545e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1029,7 +1017,6 @@ K 1.281e-01 Na 2.138e-01 Na+ 1.707e-01 1.239e-01 -0.768 -0.907 -0.139 -0.77 NaSO4- 4.314e-02 3.089e-02 -1.365 -1.510 -0.145 2.82 - NaOH 1.706e-18 1.846e-18 -17.768 -17.734 0.034 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.435 -41.401 0.034 30.40 S(6) 1.277e-01 @@ -1076,7 +1063,7 @@ Initial solution 14. Activity of water = 0.988 Ionic strength (mol/kgw) = 4.476e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.863e-17 + Total alkalinity (eq/kg) = -6.028e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.249e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1103,7 +1090,6 @@ K 1.957e-01 Na 2.642e-01 Na+ 2.182e-01 1.569e-01 -0.661 -0.804 -0.143 -0.67 NaSO4- 4.603e-02 3.225e-02 -1.337 -1.491 -0.154 4.87 - NaOH 1.966e-18 2.180e-18 -17.706 -17.662 0.045 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.564 -41.519 0.045 30.40 S(6) 1.300e-01 @@ -1150,7 +1136,7 @@ Initial solution 15. Activity of water = 0.992 Ionic strength (mol/kgw) = 3.745e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.059e-17 + Total alkalinity (eq/kg) = 2.946e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -7.772e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1177,7 +1163,6 @@ K 1.848e-01 Na 1.858e-01 Na+ 1.407e-01 1.017e-01 -0.852 -0.993 -0.141 -0.74 NaSO4- 4.514e-02 3.209e-02 -1.345 -1.494 -0.148 3.49 - NaOH 1.491e-18 1.625e-18 -17.827 -17.789 0.037 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.317 -41.280 0.037 30.40 S(6) 1.644e-01 @@ -1251,7 +1236,6 @@ K 3.170e-01 Na 1.925e-01 Na+ 1.470e-01 1.055e-01 -0.833 -0.977 -0.144 -0.63 NaSO4- 4.548e-02 3.159e-02 -1.342 -1.500 -0.158 5.73 - NaOH 5.951e-16 6.675e-16 -15.225 -15.176 0.050 (0) O(0) 2.322e-31 O2 1.161e-31 1.302e-31 -30.935 -30.885 0.050 30.40 S(6) 1.898e-01 @@ -1298,7 +1282,7 @@ Initial solution 17. Activity of water = 0.984 Ionic strength (mol/kgw) = 5.850e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.645e-17 + Total alkalinity (eq/kg) = 1.498e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 9.856e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1325,7 +1309,6 @@ K 3.471e-01 Na 2.618e-01 Na+ 2.107e-01 1.510e-01 -0.676 -0.821 -0.145 -0.57 NaSO4- 5.113e-02 3.507e-02 -1.291 -1.455 -0.164 7.05 - NaOH 1.863e-18 2.132e-18 -17.730 -17.671 0.059 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.546 -41.488 0.059 30.40 S(6) 1.719e-01 @@ -1372,7 +1355,7 @@ Initial solution 18. Activity of water = 0.984 Ionic strength (mol/kgw) = 5.811e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.722e-17 + Total alkalinity (eq/kg) = -4.892e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.155e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1399,7 +1382,6 @@ K 3.021e-01 Na 3.054e-01 Na+ 2.466e-01 1.768e-01 -0.608 -0.753 -0.145 -0.57 NaSO4- 5.876e-02 4.032e-02 -1.231 -1.394 -0.164 7.00 - NaOH 2.173e-18 2.484e-18 -17.663 -17.605 0.058 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.554 -41.496 0.058 30.40 S(6) 1.714e-01 @@ -1442,7 +1424,7 @@ Initial solution 19. Specific Conductance (µS/cm, 25°C) = 51613 Density (g/cm³) = 1.03006 Volume (L) = 1.01339 - Viscosity (mPa s) = 0.94674 + Viscosity (mPa s) = 0.94675 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.772e-01 Mass of water (kg) = 1.000e+00 @@ -1473,7 +1455,6 @@ K 2.576e-01 Na 3.483e-01 Na+ 2.823e-01 2.023e-01 -0.549 -0.694 -0.145 -0.57 NaSO4- 6.599e-02 4.531e-02 -1.180 -1.344 -0.163 6.94 - NaOH 1.100e-15 1.257e-15 -14.958 -14.901 0.058 (0) O(0) 2.133e-31 O2 1.067e-31 1.218e-31 -30.972 -30.914 0.058 30.40 S(6) 1.707e-01 @@ -1520,7 +1501,7 @@ Initial solution 20. Activity of water = 0.988 Ionic strength (mol/kgw) = 4.894e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.996e-16 + Total alkalinity (eq/kg) = -4.014e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 3.772e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1547,7 +1528,6 @@ K 1.906e-01 Na 3.184e-01 Na+ 2.457e-01 1.764e-01 -0.610 -0.754 -0.144 -0.64 NaSO4- 7.270e-02 5.058e-02 -1.138 -1.296 -0.158 5.58 - NaOH 2.401e-18 2.688e-18 -17.620 -17.571 0.049 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.407 -41.358 0.049 30.40 S(6) 1.897e-01 @@ -1596,7 +1576,7 @@ Initial solution 21. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.000e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.060e-14 + Electrical balance (eq) = -8.091e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 (134 overall) Total H = 1.110125e+02 @@ -1621,7 +1601,6 @@ K 4.187e-01 Na 2.553e-01 Na+ 1.892e-01 1.357e-01 -0.723 -0.868 -0.144 -0.52 NaSO4- 6.613e-02 4.502e-02 -1.180 -1.347 -0.167 7.86 - NaOH 4.667e-21 5.413e-21 -20.331 -20.267 0.064 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.747 -51.683 0.064 30.40 S(6) 2.506e-01 @@ -1668,7 +1647,7 @@ Initial solution 22. Activity of water = 0.980 Ionic strength (mol/kgw) = 7.127e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.030e-16 + Total alkalinity (eq/kg) = -1.045e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -3.747e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1695,7 +1674,6 @@ K 4.289e-01 Na 3.237e-01 Na+ 2.561e-01 1.840e-01 -0.592 -0.735 -0.144 -0.48 NaSO4- 6.761e-02 4.566e-02 -1.170 -1.340 -0.171 8.75 - NaOH 2.209e-18 2.603e-18 -17.656 -17.584 0.071 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.552 -41.481 0.071 30.40 S(6) 2.114e-01 @@ -1742,7 +1720,7 @@ Initial solution 23. Activity of water = 0.980 Ionic strength (mol/kgw) = 7.069e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.375e-17 + Total alkalinity (eq/kg) = 5.206e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -8.771e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1769,7 +1747,6 @@ K 3.728e-01 Na 3.776e-01 Na+ 3.002e-01 2.156e-01 -0.523 -0.666 -0.144 -0.48 NaSO4- 7.743e-02 5.232e-02 -1.111 -1.281 -0.170 8.68 - NaOH 2.577e-18 3.033e-18 -17.589 -17.518 0.071 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.562 -41.491 0.071 30.40 S(6) 2.106e-01 @@ -1818,7 +1795,7 @@ Initial solution 24. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.000e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.858e-15 + Electrical balance (eq) = 3.914e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 (156 overall) Total H = 1.110125e+02 @@ -1843,7 +1820,6 @@ K 2.760e-01 Na 2.783e-01 Na+ 2.014e-01 1.444e-01 -0.696 -0.840 -0.145 -0.60 NaSO4- 7.690e-02 5.312e-02 -1.114 -1.275 -0.161 6.31 - NaOH 5.499e-21 6.219e-21 -20.260 -20.206 0.053 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.607 -51.553 0.053 30.40 S(6) 2.457e-01 @@ -1890,7 +1866,7 @@ Initial solution 25. Activity of water = 0.980 Ionic strength (mol/kgw) = 7.018e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.239e-18 + Total alkalinity (eq/kg) = -6.675e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -1.654e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1917,7 +1893,6 @@ K 3.172e-01 Na 4.315e-01 Na+ 3.445e-01 2.474e-01 -0.463 -0.607 -0.144 -0.49 NaSO4- 8.705e-02 5.885e-02 -1.060 -1.230 -0.170 8.61 - NaOH 2.946e-18 3.462e-18 -17.531 -17.461 0.070 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.570 -41.500 0.070 30.40 S(6) 2.103e-01 @@ -1964,7 +1939,7 @@ Initial solution 26. Activity of water = 0.976 Ionic strength (mol/kgw) = 8.376e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.158e-16 + Total alkalinity (eq/kg) = 2.857e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 7.771e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1991,7 +1966,6 @@ K 5.100e-01 Na 3.846e-01 Na+ 2.995e-01 2.165e-01 -0.524 -0.664 -0.141 -0.40 NaSO4- 8.506e-02 5.673e-02 -1.070 -1.246 -0.176 10.20 - NaOH 2.525e-18 3.062e-18 -17.598 -17.514 0.084 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.562 -41.479 0.084 30.40 S(6) 2.507e-01 @@ -2038,7 +2012,7 @@ Initial solution 27. Activity of water = 0.977 Ionic strength (mol/kgw) = 8.302e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.190e-16 + Total alkalinity (eq/kg) = 6.180e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 7.163e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2065,7 +2039,6 @@ K 4.433e-01 Na 4.487e-01 Na+ 3.515e-01 2.540e-01 -0.454 -0.595 -0.141 -0.40 NaSO4- 9.719e-02 6.486e-02 -1.012 -1.188 -0.176 10.12 - NaOH 2.947e-18 3.567e-18 -17.531 -17.448 0.083 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.573 -41.490 0.083 30.40 S(6) 2.499e-01 @@ -2112,7 +2085,7 @@ Initial solution 28. Activity of water = 0.980 Ionic strength (mol/kgw) = 7.840e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.402e-17 + Total alkalinity (eq/kg) = -8.365e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 2.381e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2139,7 +2112,6 @@ K 5.193e-01 Na 3.173e-01 Na+ 2.290e-01 1.650e-01 -0.640 -0.782 -0.142 -0.43 NaSO4- 8.831e-02 5.920e-02 -1.054 -1.228 -0.174 9.60 - NaOH 2.167e-18 2.596e-18 -17.664 -17.586 0.078 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.375 -41.297 0.078 30.40 S(6) 3.105e-01 @@ -2186,7 +2158,7 @@ Initial solution 29. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.300e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.044e-18 + Total alkalinity (eq/kg) = -7.426e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 4.824e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2213,7 +2185,6 @@ K 2.525e-01 Na 4.223e-01 Na+ 3.175e-01 2.276e-01 -0.498 -0.643 -0.144 -0.53 NaSO4- 1.048e-01 7.145e-02 -0.980 -1.146 -0.166 7.68 - NaOH 3.028e-18 3.501e-18 -17.519 -17.456 0.063 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.402 -41.339 0.063 30.40 S(6) 2.510e-01 @@ -2260,7 +2231,7 @@ Initial solution 30. Activity of water = 0.977 Ionic strength (mol/kgw) = 8.226e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.474e-16 + Total alkalinity (eq/kg) = 9.463e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 4.177e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2287,7 +2258,6 @@ K 3.761e-01 Na 5.127e-01 Na+ 4.041e-01 2.918e-01 -0.394 -0.535 -0.141 -0.41 NaSO4- 1.086e-01 7.255e-02 -0.964 -1.139 -0.175 10.03 - NaOH 3.368e-18 4.071e-18 -17.473 -17.390 0.082 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.585 -41.502 0.082 30.40 S(6) 2.486e-01 @@ -2334,9 +2304,9 @@ Initial solution 31. Activity of water = 0.984 Ionic strength (mol/kgw) = 6.889e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.359e-16 + Total alkalinity (eq/kg) = 2.936e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.322e-13 + Electrical balance (eq) = 2.323e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 (207 overall) Total H = 1.110124e+02 @@ -2361,7 +2331,6 @@ K 3.664e-01 Na 3.712e-01 Na+ 2.592e-01 1.861e-01 -0.586 -0.730 -0.144 -0.49 NaSO4- 1.120e-01 7.586e-02 -0.951 -1.120 -0.169 8.45 - NaOH 2.645e-18 3.099e-18 -17.578 -17.509 0.069 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.269 -41.200 0.069 30.40 S(6) 3.266e-01 @@ -2408,7 +2377,7 @@ Initial solution 32. Activity of water = 0.976 Ionic strength (mol/kgw) = 9.205e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.696e-16 + Total alkalinity (eq/kg) = -1.666e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 3.436e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2435,7 +2404,6 @@ K 6.183e-01 Na 3.778e-01 Na+ 2.665e-01 1.937e-01 -0.574 -0.713 -0.139 -0.35 NaSO4- 1.113e-01 7.368e-02 -0.954 -1.133 -0.179 11.07 - NaOH 2.466e-18 3.048e-18 -17.608 -17.516 0.092 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.384 -41.292 0.092 30.40 S(6) 3.682e-01 @@ -2482,7 +2450,7 @@ Initial solution 33. Activity of water = 0.980 Ionic strength (mol/kgw) = 7.653e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.025e-16 + Total alkalinity (eq/kg) = -1.013e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 6.139e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2509,7 +2477,6 @@ K 3.130e-01 Na 5.253e-01 Na+ 3.866e-01 2.784e-01 -0.413 -0.555 -0.143 -0.44 NaSO4- 1.387e-01 9.314e-02 -0.858 -1.031 -0.173 9.38 - NaOH 3.596e-18 4.289e-18 -17.444 -17.368 0.077 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.409 -41.333 0.077 30.40 S(6) 3.112e-01 @@ -2556,7 +2523,7 @@ Initial solution 34. Activity of water = 0.980 Ionic strength (mol/kgw) = 8.382e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.556e-16 + Total alkalinity (eq/kg) = -9.838e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 5.884e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2583,7 +2550,6 @@ K 4.564e-01 Na 4.634e-01 Na+ 3.138e-01 2.268e-01 -0.503 -0.644 -0.141 -0.40 NaSO4- 1.496e-01 9.979e-02 -0.825 -1.001 -0.176 10.20 - NaOH 3.132e-18 3.798e-18 -17.504 -17.420 0.084 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.271 -41.188 0.084 30.40 S(6) 4.070e-01 @@ -2630,7 +2596,7 @@ Initial solution 35. Activity of water = 0.976 Ionic strength (mol/kgw) = 8.964e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.506e-16 + Total alkalinity (eq/kg) = -1.685e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 1.438e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2657,7 +2623,6 @@ K 3.740e-01 Na 6.256e-01 Na+ 4.521e-01 3.281e-01 -0.345 -0.484 -0.139 -0.37 NaSO4- 1.735e-01 1.151e-01 -0.761 -0.939 -0.178 10.82 - NaOH 4.100e-18 5.040e-18 -17.387 -17.298 0.090 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.424 -41.334 0.090 30.40 S(6) 3.701e-01 @@ -2704,7 +2669,7 @@ Initial solution 36. Activity of water = 0.976 Ionic strength (mol/kgw) = 9.839e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.844e-17 + Total alkalinity (eq/kg) = -1.161e-16 Temperature (°C) = 25.00 Electrical balance (eq) = 2.051e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -2731,7 +2696,6 @@ K 5.462e-01 Na 5.548e-01 Na+ 3.655e-01 2.669e-01 -0.437 -0.574 -0.137 -0.32 NaSO4- 1.893e-01 1.247e-01 -0.723 -0.904 -0.181 11.70 - NaOH 3.565e-18 4.472e-18 -17.448 -17.350 0.098 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.282 -41.184 0.098 30.40 S(6) 4.869e-01 diff --git a/mytest/Yang_mix_101.sel b/mytest/Yang_mix_101.sel index a4e5b024d..69b0f155d 100644 --- a/mytest/Yang_mix_101.sel +++ b/mytest/Yang_mix_101.sel @@ -1,37 +1,37 @@ Mu SC Viscosity 0.169020339353 16495.6377454102 0.9039171199 - 0.168471053818 16229.5691857450 0.9048776537 + 0.168471053818 16229.5691423069 0.9048776605 0.169016012718 16004.1363412902 0.9063155613 - 0.187827106480 17390.3915780369 0.9080777782 - 0.185639119965 16482.4012418668 0.9120478097 + 0.187827106480 17390.3915318201 0.9080777869 + 0.185639119965 16482.3522667892 0.9120563211 0.203208299690 17555.8388504160 0.9155798082 0.314839643858 29975.5616040935 0.9156561462 - 0.313548256413 29455.0089251601 0.9176341595 - 0.312435971506 28964.7272948768 0.9196462842 - 0.347901719965 31546.8007933336 0.9238022024 - 0.452755463540 42291.1555136811 0.9273456774 + 0.313548256413 29455.0088062610 0.9176341695 + 0.312435971506 28964.6699578683 0.9196510463 + 0.347901719965 31546.7464531219 0.9238076689 + 0.452755463540 42291.0637959388 0.9273511927 0.450125208113 41502.1139646218 0.9302628956 - 0.342670259459 29726.4101891909 0.9318240508 - 0.447551518021 40696.1779116350 0.9331280123 - 0.374455592457 31710.7690896153 0.9387934766 - 0.498611182133 44445.2950160194 0.9396174634 - 0.585033049374 53756.4086120250 0.9391260226 - 0.581107921165 52680.3023028199 0.9429878252 - 0.577152373860 51613.2799262733 0.9467423714 - 0.489387821606 41714.5105521308 0.9517251104 + 0.342670259459 29726.4100517263 0.9318240638 + 0.447551518021 40696.1776986994 0.9331280248 + 0.374455592457 31710.7689454140 0.9387934925 + 0.498611182133 44445.2048561834 0.9396238465 + 0.585033049374 53756.4083053557 0.9391260371 + 0.581107921165 52680.3019932172 0.9429878396 + 0.577152373860 51613.1452533262 0.9467485766 + 0.489387821606 41714.5103131795 0.9517251265 0.643388712695 56482.3780336577 0.9557807397 - 0.712695897908 64550.8922906902 0.9509484657 - 0.706941652149 63153.8166304302 0.9556827794 + 0.712695897908 64550.8918809983 0.9509484818 + 0.706941652149 63153.8162183514 0.9556827954 0.534816039586 44562.6886166324 0.9626197795 - 0.701767149468 61775.1923779986 0.9605210518 - 0.837599056339 74822.1265394246 0.9631569146 - 0.830206846114 73118.1136176405 0.9688094088 - 0.784026295666 67844.2808559561 0.9724020898 - 0.629995753578 52835.3249784087 0.9721154377 - 0.822608485822 71380.6150650250 0.9743684154 - 0.688868696508 56511.4671295825 0.9873455091 - 0.920534673640 78631.6043256925 0.9892267740 - 0.765258058479 63190.5658937323 0.9929993844 - 0.838167104014 67750.0217699133 1.0130935178 - 0.896422486768 72950.2215762746 1.0141900766 - 0.983904210897 78393.5487655878 1.0399718106 + 0.701767149468 61775.1919631711 0.9605210678 + 0.837599056339 74822.1260256248 0.9631569322 + 0.830206846114 73118.1131020358 0.9688094263 + 0.784026295666 67844.2804126944 0.9724021106 + 0.629995753578 52835.3246309021 0.9721154562 + 0.822608485822 71380.6145478223 0.9743684327 + 0.688868696508 56511.4667671681 0.9873455320 + 0.920534673640 78631.6037753217 0.9892267965 + 0.765258058479 63190.5654367156 0.9929994050 + 0.838167104014 67750.0212966858 1.0130935432 + 0.896422486768 72950.2210123511 1.0141900990 + 0.983904210897 78393.5481868727 1.0399718382 diff --git a/mytest/Zhang_mix_101.sel b/mytest/Zhang_mix_101.sel index 86099aac3..b09c5747b 100644 --- a/mytest/Zhang_mix_101.sel +++ b/mytest/Zhang_mix_101.sel @@ -1,50 +1,50 @@ Mu SC Viscosity - 0.000000100645 0.0546913894 0.8900243335 - 0.003000107509 255.7554193031 0.8909187129 - 0.006000110469 501.2112450447 0.8914477167 - 0.009000112732 740.8076499489 0.8919165252 - 0.012000114630 976.0437188642 0.8923541757 - 0.015000116292 1207.7566590269 0.8927719150 - 0.018000117785 1436.4945076676 0.8931755109 - 0.021000119149 1662.6486051489 0.8935683898 - 0.024000120412 1886.5144530915 0.8939527841 - 0.027000121590 2108.3241059149 0.8943302445 - 0.030000122698 2328.2651820656 0.8947019000 - 0.060000131288 4450.1546885305 0.8982230497 - 0.090000137604 6474.1567510251 0.9015539295 - 0.120000142790 8431.5158511981 0.9047863943 - 0.150000147274 10337.9873200300 0.9079560552 - 0.180000151274 12203.0827612911 0.9110812036 - 0.210000154913 14033.1481642431 0.9141727302 - 0.240000158271 15832.7025569350 0.9172377534 - 0.270000161403 17605.1167437342 0.9202812387 - 0.300000164347 19352.9944908826 0.9233068204 - 0.600000187564 35801.2243394009 0.9529851463 - 0.900000204766 50862.4176958117 0.9821906233 - 1.200000218809 64855.7900133971 1.0113021377 - 1.500000230789 77932.8761863638 1.0405303271 - 1.800000241278 90184.9611132232 1.0700388291 - 2.100000250629 101673.8111515271 1.0999744927 - 2.400000259080 112443.9906190841 1.1304780448 - 2.700000266805 122528.9444310684 1.1616886081 - 3.000000273937 131954.4901079959 1.1937458324 - 5.100000313896 180836.2877753715 1.4540140689 - 7.200000347504 202840.0247941979 1.8149871017 - 9.300000383249 203438.4327987290 2.3343268857 - 11.400000426443 190036.5718753583 3.0747842278 - 13.500000481821 169784.7250279037 4.1034570106 - 15.600000554749 147783.8734317564 5.4912382582 - 17.700000652194 126873.9968056599 7.3124016766 - 19.800000783833 108273.1503644660 9.6442800897 - 21.900000963611 92281.4493164830 12.5670083953 - 24.000001212106 78765.1418953508 16.1633129640 - 26.100001560267 67426.1383653453 20.5183355788 - 0.000999004838 92.7018359581 0.8904070457 - 0.001998002207 183.1971240775 0.8906123779 - 0.002997001315 272.3659630192 0.8907884576 - 0.003996000864 360.5148490183 0.8909493956 - 0.004995000591 447.8185827292 0.8911006574 - 0.005994000408 534.3936029070 0.8912450460 + 0.000000100645 0.0546913895 0.8900243330 + 0.003000107509 255.7554191370 0.8909187136 + 0.006000110469 501.2112445996 0.8914477176 + 0.009000112732 740.8076491562 0.8919165263 + 0.012000114630 976.0437176700 0.8923541769 + 0.015000116292 1207.7566573855 0.8927719164 + 0.018000117785 1436.4945055387 0.8931755124 + 0.021000119149 1662.6486024960 0.8935683914 + 0.024000120412 1886.5144498812 0.8939527859 + 0.027000121590 2108.3241021163 0.8943302463 + 0.030000122698 2328.2651776495 0.8947019019 + 0.060000131288 4450.1546766188 0.8982230525 + 0.090000137604 6474.1567297156 0.9015539329 + 0.120000142790 8431.5158189881 0.9047863983 + 0.150000147274 10337.9872756450 0.9079560597 + 0.180000151274 12203.0827036106 0.9110812086 + 0.210000154913 14033.1480922606 0.9141727356 + 0.240000158271 15832.7024697337 0.9172377593 + 0.270000161403 17605.1166404704 0.9202812450 + 0.300000164347 19352.9943707745 0.9233068270 + 0.600000187564 35801.2240171664 0.9529851563 + 0.900000204766 50862.4171292251 0.9821906361 + 1.200000218809 64855.7891776126 1.0113021529 + 1.500000230789 77932.8750678099 1.0405303446 + 1.800000241278 90184.9597063904 1.0700388486 + 2.100000250629 101673.8094569315 1.0999745142 + 2.400000259080 112443.9886418549 1.1304780682 + 2.700000266805 122528.9421799144 1.1616886333 + 3.000000273937 131954.4875944188 1.1937458592 + 5.100000313896 180836.2838761983 1.4540141063 + 7.200000347504 202840.0203803444 1.8149871491 + 9.300000383249 203438.4285323402 2.3343269449 + 11.400000426443 190036.5680716237 3.0747843027 + 13.500000481821 169784.7217358478 4.1034571081 + 15.600000554749 147783.8705708816 5.4912383893 + 17.700000652194 126873.9942591509 7.3124018587 + 19.800000783833 108273.1480195082 9.6442803504 + 21.900000963611 92281.4470739258 12.5670087783 + 24.000001212106 78765.1396667481 16.1633135401 + 26.100001560267 67426.1360658975 20.5183364638 + 0.000999004838 92.7018359565 0.8904070457 + 0.001998002207 183.1971240753 0.8906123779 + 0.002997001315 272.3659630165 0.8907884576 + 0.003996000864 360.5148490151 0.8909493956 + 0.004995000591 447.8185827257 0.8911006574 + 0.005994000408 534.3936029031 0.8912450460 0.006993000276 620.3243555902 0.8913842264 0.007992000178 705.6755145394 0.8915192838 0.008991000101 790.4985368218 0.8916509716 @@ -78,54 +78,54 @@ 9.989999981784 228581.9613973518 2.3363516128 10.988999979967 222406.8270623924 2.6469216927 11.987999978152 214065.0107279334 3.0112037665 - 0.000800104039 80.6581659822 0.8902996643 - 0.001600105485 159.6599962227 0.8904440431 - 0.002400106595 237.6806352919 0.8905668011 - 0.003200107531 314.9422783094 0.8906783689 - 0.004000108353 391.5718899151 0.8907827861 - 0.004800109095 467.6542477311 0.8908821244 - 0.005600109776 543.2509814907 0.8909776146 - 0.006400110408 618.4093978810 0.8910700583 - 0.007200110999 693.1672170686 0.8911600125 - 0.008000111557 767.5553749688 0.8912478828 - 0.016000115964 1495.4135750808 0.8920564507 - 0.024000119274 2201.8584018543 0.8927967540 - 0.032000121993 2892.8595593338 0.8935017645 - 0.040000124336 3571.6632291025 0.8941842524 - 0.048000126413 4240.3479052210 0.8948507667 - 0.056000128291 4900.3695027695 0.8955051976 - 0.064000130011 5552.8086592030 0.8961500796 - 0.072000131605 6198.5008636817 0.8967871731 - 0.080000133093 6838.1120259108 0.8974177599 - 0.160000144127 12986.5310637862 0.9035063866 - 0.240000151871 18826.1186249187 0.9093874903 - 0.320000158008 24454.2002053280 0.9151656890 - 0.400000163142 29917.0639183893 0.9208818916 - 0.480000167575 35241.5760186794 0.9265574451 - 0.560000171479 40445.1743043777 0.9322053723 - 0.640000174966 45540.0415511217 0.9378344775 - 0.720000178112 50535.1510248127 0.9434511755 - 0.800000180973 55437.3821279828 0.9490604184 - 1.600000199858 100194.6004991752 1.0054144349 - 2.400000209211 138518.2990939193 1.0636809901 - 3.200000213829 171317.3977705391 1.1255917638 - 4.000000215784 199039.9673917287 1.1928810977 - 4.800000216227 221966.4545836620 1.2673902623 - 5.600000215879 240320.0340841112 1.3510797891 - 6.400000215220 254327.1810013999 1.4460254550 - 7.200000214486 264252.8857752503 1.5544108784 - 8.000000213999 270417.0132961188 1.6785198512 - 8.800000213948 273195.1307346713 1.8207292382 + 0.000800104039 80.6581659691 0.8902996645 + 0.001600105485 159.6599961785 0.8904440434 + 0.002400106595 237.6806352057 0.8905668016 + 0.003200107531 314.9422781728 0.8906783694 + 0.004000108353 391.5718897209 0.8907827867 + 0.004800109095 467.6542474730 0.8908821251 + 0.005600109776 543.2509811629 0.8909776152 + 0.006400110408 618.4093974785 0.8910700590 + 0.007200110999 693.1672165865 0.8911600133 + 0.008000111557 767.5553744025 0.8912478836 + 0.016000115964 1495.4135734686 0.8920564519 + 0.024000119274 2201.8583989025 0.8927967556 + 0.032000121993 2892.8595548108 0.8935017663 + 0.040000124336 3571.6632228118 0.8941842544 + 0.048000126413 4240.3478969896 0.8948507690 + 0.056000128291 4900.3694924412 0.8955052001 + 0.064000130011 5552.8086466350 0.8961500822 + 0.072000131605 6198.5008487415 0.8967871759 + 0.080000133093 6838.1120084747 0.8974177628 + 0.160000144127 12986.5310158078 0.9035063909 + 0.240000151871 18826.1185385338 0.9093874957 + 0.320000158008 24454.2000745681 0.9151656953 + 0.400000163142 29917.0637384337 0.9208818988 + 0.480000167575 35241.5757855223 0.9265574531 + 0.560000171479 40445.1740146420 0.9322053810 + 0.640000174966 45540.0412019404 0.9378344869 + 0.720000178112 50535.1506137464 0.9434511855 + 0.800000180973 55437.3816529594 0.9490604290 + 1.600000199858 100194.5993265355 1.0054144504 + 2.400000209211 138518.2972259781 1.0636810090 + 3.200000213829 171317.3952906380 1.1255917854 + 4.000000215784 199039.9644159700 1.1928811216 + 4.800000216227 221966.4512370736 1.2673902880 + 5.600000215879 240320.0304876824 1.3510798165 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0.8912383404 + 0.015000113512 1744.2451022613 0.8916967196 + 0.020000115241 2301.7965583206 0.8921363933 + 0.025000116709 2852.0459092489 0.8925642844 + 0.030000117990 3396.0889714261 0.8929839454 + 0.035000119132 3934.7091672383 0.8933974882 + 0.040000120164 4468.4986164292 0.8938062900 + 0.045000121106 4997.9226575136 0.8942113080 + 0.050000121973 5523.3577538315 0.8946132400 + 0.100000128070 10609.0358452331 0.8985395674 + 0.150000131802 15474.5947682610 0.9023995816 + 0.200000134368 20182.8318356909 0.9062510615 + 0.250000136217 24765.3555872635 0.9101168221 + 0.300000137576 29241.1899215174 0.9140088216 + 0.350000138575 33622.9779768934 0.9179343357 + 0.400000139298 37919.6825840052 0.9218982287 + 0.450000139801 42137.9563560637 0.9259039730 + 0.500000140126 46282.9115693063 0.9299541701 + 1.050000137267 87817.7797386643 0.9778288127 + 1.600000129192 123077.4524331442 1.0323820146 + 2.150000119262 152882.0771602698 1.0940168409 + 2.700000108703 177765.6808644204 1.1629479666 + 3.250000098132 198212.3991721974 1.2393211855 + 3.800000087901 214695.9301290081 1.3232471674 + 4.350000078231 227678.9245808559 1.4148153817 + 4.900000068883 237603.9855881769 1.5141011172 + 5.450000060137 244885.0030011282 1.6211694999 + 6.000000052006 249901.1873133951 1.7360780055 diff --git a/mytest/a_e_t2.out b/mytest/a_e_t2.out index 4a321f1c7..3e4fc125f 100644 --- a/mytest/a_e_t2.out +++ b/mytest/a_e_t2.out @@ -196,11 +196,11 @@ X 1.000e+00 mol ----------------------------Description of solution---------------------------- pH = 10.022 Charge balance - pe = -4.381 Adjusted to redox equilibrium + pe = -4.380 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 2729 Density (g/cm³) = 0.99866 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.90288 + Viscosity (mPa s) = 0.90289 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.615e-02 Mass of water (kg) = 1.000e+00 @@ -221,8 +221,8 @@ X 1.000e+00 mol OH- 1.279e-04 1.065e-04 -3.893 -3.973 -0.080 -3.92 H+ 1.096e-10 9.499e-11 -9.960 -10.022 -0.062 0.00 H2O 5.551e+01 9.991e-01 1.744 -0.000 0.000 18.07 -C(-4) 2.990e-27 - CH4 2.990e-27 3.015e-27 -26.524 -26.521 0.004 35.46 +C(-4) 2.922e-27 + CH4 2.922e-27 2.946e-27 -26.534 -26.531 0.004 35.46 C(4) 1.677e-02 HCO3- 9.138e-03 7.733e-03 -2.039 -2.112 -0.073 24.75 CO3-2 7.445e-03 3.818e-03 -2.128 -2.418 -0.290 -3.31 @@ -236,14 +236,13 @@ Ca 9.805e-06 CaCO3 4.605e-06 4.643e-06 -5.337 -5.333 0.004 (0) CaHCO3+ 9.191e-08 7.813e-08 -7.037 -7.107 -0.071 122.74 CaOH+ 5.446e-09 4.572e-09 -8.264 -8.340 -0.076 (0) -H(0) 7.327e-15 - H2 3.663e-15 3.694e-15 -14.436 -14.433 0.004 28.61 +H(0) 7.285e-15 + H2 3.642e-15 3.673e-15 -14.439 -14.435 0.004 28.61 Na 3.342e-02 Na+ 3.324e-02 2.801e-02 -1.478 -1.553 -0.074 -1.26 NaHCO3 1.855e-04 1.886e-04 -3.732 -3.724 0.007 31.73 - NaOH 2.957e-16 2.982e-16 -15.529 -15.526 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.519 -63.516 0.004 30.40 + O2 0.000e+00 0.000e+00 -63.514 -63.511 0.004 30.40 ------------------------------Saturation indices------------------------------- @@ -251,11 +250,11 @@ O(0) 0.000e+00 Aragonite 0.34 -8.00 -8.34 CaCO3 Calcite 0.00 -8.00 -8.00 CaCO3 - CH4(g) -23.72 -26.52 -2.80 CH4 + CH4(g) -23.73 -26.53 -2.80 CH4 CO2(g) -4.31 -5.78 -1.47 CO2 - H2(g) -11.33 -14.43 -3.10 H2 + H2(g) -11.33 -14.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - O2(g) -60.62 -63.52 -2.89 O2 + O2(g) -60.62 -63.51 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/a_e_t2_101.sel b/mytest/a_e_t2_101.sel index c5c93d93c..405de13aa 100644 --- a/mytest/a_e_t2_101.sel +++ b/mytest/a_e_t2_101.sel @@ -1,3 +1,3 @@ Mu SC 0.000000100661 0.0546997340 - 0.036150763779 2729.4442181287 + 0.036150763779 2729.4280295000 diff --git a/mytest/advect_ranges.out b/mytest/advect_ranges.out index 34e7fd99e..b328d0e1f 100644 --- a/mytest/advect_ranges.out +++ b/mytest/advect_ranges.out @@ -70,7 +70,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -94,7 +94,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -144,7 +143,7 @@ Initial solution 0. Specific Conductance (µS/cm, 25°C) = 120 Density (g/cm³) = 0.99713 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89039 + Viscosity (mPa s) = 0.89041 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.250e-03 Mass of water (kg) = 1.000e+00 @@ -168,7 +167,6 @@ H(0) 1.415e-25 H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 2.500e-03 Na+ 2.500e-03 2.403e-03 -2.602 -2.619 -0.017 -1.47 - NaOH 2.432e-20 2.432e-20 -19.614 -19.614 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 Org 1.000e-03 @@ -260,7 +258,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 120 Density (g/cm³) = 0.99713 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89039 + Viscosity (mPa s) = 0.89041 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.250e-03 Mass of water (kg) = 1.000e+00 @@ -284,7 +282,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.316 -40.316 0.000 28.61 Na 2.500e-03 Na+ 2.500e-03 2.403e-03 -2.602 -2.619 -0.017 -1.47 - NaOH 2.432e-20 2.432e-20 -19.614 -19.614 0.000 (0) O(0) 3.570e-12 O2 1.785e-12 1.786e-12 -11.748 -11.748 0.000 30.40 Org 9.802e-04 @@ -329,7 +326,7 @@ Kinetics 2. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -353,7 +350,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -396,7 +392,7 @@ Kinetics 3. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -420,7 +416,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -463,7 +458,7 @@ Kinetics 4. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -487,7 +482,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -530,7 +524,7 @@ Kinetics 5. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -554,7 +548,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -597,7 +590,7 @@ Kinetics 6. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -621,7 +614,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -664,7 +656,7 @@ Kinetics 7. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -688,7 +680,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -731,7 +722,7 @@ Kinetics 8. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -755,7 +746,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -798,7 +788,7 @@ Kinetics 9. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -822,7 +812,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -865,7 +854,7 @@ Kinetics 10. Specific Conductance (µS/cm, 25°C) = 53 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89021 + Viscosity (mPa s) = 0.89022 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.501e-04 Mass of water (kg) = 1.000e+00 @@ -889,7 +878,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.100e-03 Na+ 1.100e-03 1.071e-03 -2.959 -2.970 -0.012 -1.49 - NaOH 1.084e-20 1.084e-20 -19.965 -19.965 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/advect_ranges_101.sel b/mytest/advect_ranges_101.sel index a07ee5106..bdc2b49c7 100644 --- a/mytest/advect_ranges_101.sel +++ b/mytest/advect_ranges_101.sel @@ -1,13 +1,13 @@ Mu SC - 0.000550103287 53.6428918037 - 0.001250104580 120.7080529263 - 0.001250104580 120.7080529356 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 - 0.000550103287 53.6428918037 + 0.000550103287 53.6425928802 + 0.001250104580 120.7065307265 + 0.001250104580 120.7065307359 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 + 0.000550103287 53.6425928802 diff --git a/mytest/alkalinity.out b/mytest/alkalinity.out index 72d2d96c8..232884688 100644 --- a/mytest/alkalinity.out +++ b/mytest/alkalinity.out @@ -72,7 +72,7 @@ Initial solution 1. Fixed Carbon, Fixed Na, Fixed pH Specific Conductance (µS/cm, 25°C) = 91 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89060 + Viscosity (mPa s) = 0.89063 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.968e-04 Mass of water (kg) = 1.000e+00 @@ -121,7 +121,6 @@ N(5) 6.685e-38 Na 1.000e-03 Na+ 9.992e-04 9.645e-04 -3.000 -3.016 -0.015 -1.48 NaHCO3 7.888e-07 7.892e-07 -6.103 -6.103 0.000 31.73 - NaOH 9.759e-20 9.762e-20 -19.011 -19.010 0.000 (0) O(0) 1.663e-38 O2 8.315e-39 8.317e-39 -38.080 -38.080 0.000 30.40 @@ -136,7 +135,6 @@ O(0) 1.663e-38 OH- 1.049e-06 1.049e-06 1.00 NaHCO3 7.888e-07 7.888e-07 1.00 H+ -1.034e-08 1.034e-08 -1.00 - NaOH 9.759e-20 9.759e-20 1.00 NH3 4.387e-32 4.387e-32 1.00 ------------------------------Saturation indices------------------------------- @@ -193,14 +191,14 @@ Initial solution 2. Fixed Carbon, Fixed Na, Adj. pH Specific Conductance (µS/cm, 25°C) = 92 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89063 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e-03 Total CO2 (mol/kg) = 1.000e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.258e-18 + Electrical balance (eq) = -1.274e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110134e+02 @@ -242,7 +240,6 @@ N(5) 2.755e-36 Na 1.000e-03 Na+ 9.992e-04 9.643e-04 -3.000 -3.016 -0.015 -1.48 NaHCO3 7.928e-07 7.931e-07 -6.101 -6.101 0.000 31.73 - NaOH 1.813e-19 1.814e-19 -18.742 -18.741 0.000 (0) O(0) 1.984e-37 O2 9.919e-38 9.921e-38 -37.004 -37.003 0.000 30.40 @@ -257,7 +254,6 @@ O(0) 1.984e-37 OH- 1.950e-06 1.950e-06 1.00 NaHCO3 7.928e-07 7.928e-07 1.00 H+ -5.567e-09 5.567e-09 -1.00 - NaOH 1.813e-19 1.813e-19 1.00 NH3 6.835e-33 6.835e-33 1.00 ------------------------------Saturation indices------------------------------- @@ -316,7 +312,7 @@ Initial solution 3. Fixed Carbon, Adj. Na, Fixed pH Specific Conductance (µS/cm, 25°C) = 90 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89060 + Viscosity (mPa s) = 0.89063 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.893e-04 Mass of water (kg) = 1.000e+00 @@ -433,7 +429,7 @@ Initial solution 4. Adj. Carbon, Fixed Na, Fixed pH Specific Conductance (µS/cm, 25°C) = 91 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89064 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.004e-03 Mass of water (kg) = 1.000e+00 @@ -550,7 +546,7 @@ Initial solution 5. Fixed Alkalinity, Fixed Na, Fixed pH Specific Conductance (µS/cm, 25°C) = 91 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89064 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.004e-03 Mass of water (kg) = 1.000e+00 @@ -664,7 +660,7 @@ Initial solution 6. Fixed Alkalinity, Adj. Na, Fixed pH Specific Conductance (µS/cm, 25°C) = 91 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89064 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.004e-03 Mass of water (kg) = 1.000e+00 @@ -783,13 +779,13 @@ pH will be adjusted to obtain desired alkalinity. Specific Conductance (µS/cm, 25°C) = 92 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89063 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-03 Mass of water (kg) = 1.000e+00 Total CO2 (mol/kg) = 1.000e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.857e-19 + Electrical balance (eq) = 4.447e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110134e+02 diff --git a/mytest/alkalinity_101.sel b/mytest/alkalinity_101.sel index 2ad3e4eb4..7450c4afe 100644 --- a/mytest/alkalinity_101.sel +++ b/mytest/alkalinity_101.sel @@ -1,8 +1,8 @@ Mu SC - 0.000996786034 91.3076838128 - 0.001008692095 92.5124605233 - 0.000989285358 90.5898047105 - 0.001004359075 91.9510752028 - 0.001004359075 91.9510752028 - 0.001004359075 91.9510752028 - 0.001008692095 92.5124605233 + 0.000996786034 91.3063947604 + 0.001008692095 92.5117491861 + 0.000989285358 90.5885355080 + 0.001004359075 91.9497676736 + 0.001004359075 91.9497676736 + 0.001004359075 91.9497676736 + 0.001008692095 92.5117491861 diff --git a/mytest/andsurfcomplex4.out b/mytest/andsurfcomplex4.out index b535d63b5..b38bbad33 100644 --- a/mytest/andsurfcomplex4.out +++ b/mytest/andsurfcomplex4.out @@ -116,3 +116,15 @@ Reading input data for simulation 3. print reset false +WARNING: Maximum iterations exceeded, 100 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying smaller step size, pe step size 10, 5 ... + +WARNING: Maximum iterations exceeded, 100 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying smaller step size, pe step size 10, 5 ... + diff --git a/mytest/andsurfcomplex4_101.sel b/mytest/andsurfcomplex4_101.sel index 50eac483f..a351b5ab5 100644 --- a/mytest/andsurfcomplex4_101.sel +++ b/mytest/andsurfcomplex4_101.sel @@ -1,3039 +1,3039 @@ Mu SC - 0.002000196645 315.2058509311 - 0.002516782063 368.2367878039 - 0.002964566491 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Anhydrite 0.00 -5.37 -5.37 1.000e+01 9.995e+00 -5.267e-03 Specific Conductance (µS/cm, 100°C) = 3371 Density (g/cm³) = 0.95906 Volume (L) = 1.04343 - Viscosity (mPa s) = 0.28314 + Viscosity (mPa s) = 0.28317 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.107e-02 Mass of water (kg) = 1.000e+00 @@ -515,7 +515,7 @@ Anhydrite 0.00 -5.37 -5.37 9.981e+00 9.978e+00 -2.231e-03 pH = 6.759 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 198333 + Specific Conductance (µS/cm, 100°C) = 198332 Density (g/cm³) = 0.99148 Volume (L) = 1.05871 Viscosity (mPa s) = 0.28615 @@ -703,7 +703,7 @@ Anhydrite 0.00 -5.37 -5.37 9.977e+00 9.973e+00 -3.268e-03 pH = 6.725 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 342658 + Specific Conductance (µS/cm, 100°C) = 342657 Density (g/cm³) = 1.01691 Volume (L) = 1.07314 Viscosity (mPa s) = 0.28746 @@ -1173,7 +1173,7 @@ Anhydrite 0.00 -5.37 -5.37 9.970e+00 9.971e+00 4.374e-04 pH = 6.662 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 773970 + Specific Conductance (µS/cm, 100°C) = 773969 Density (g/cm³) = 1.09722 Volume (L) = 1.12810 Viscosity (mPa s) = 0.28968 @@ -1549,7 +1549,7 @@ Anhydrite 0.00 -5.37 -5.37 9.973e+00 9.974e+00 8.444e-04 pH = 6.598 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1049650 + Specific Conductance (µS/cm, 100°C) = 1049649 Density (g/cm³) = 1.15322 Volume (L) = 1.17431 Viscosity (mPa s) = 0.29057 @@ -1660,10 +1660,10 @@ Anhydrite 0.00 -5.03 -5.03 1.000e+01 9.990e+00 -9.850e-03 pH = 6.739 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 5922 + Specific Conductance (µS/cm, 100°C) = 5921 Density (g/cm³) = 0.98165 Volume (L) = 1.02006 - Viscosity (mPa s) = 0.29724 + Viscosity (mPa s) = 0.29730 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.940e-02 Mass of water (kg) = 1.000e+00 @@ -2611,7 +2611,7 @@ Anhydrite 0.00 -5.09 -5.09 9.963e+00 9.964e+00 6.215e-04 pH = 6.550 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 681225 + Specific Conductance (µS/cm, 100°C) = 681224 Density (g/cm³) = 1.10200 Volume (L) = 1.09757 Viscosity (mPa s) = 0.30367 @@ -2707,7 +2707,7 @@ Anhydrite 0.00 -5.10 -5.10 9.964e+00 9.965e+00 9.568e-04 pH = 6.543 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 755804 + Specific Conductance (µS/cm, 100°C) = 755803 Density (g/cm³) = 1.11660 Volume (L) = 1.10927 Viscosity (mPa s) = 0.30391 @@ -2803,7 +2803,7 @@ Anhydrite 0.00 -5.10 -5.10 9.965e+00 9.966e+00 1.157e-03 pH = 6.535 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 826687 + Specific Conductance (µS/cm, 100°C) = 826686 Density (g/cm³) = 1.13078 Volume (L) = 1.12105 Viscosity (mPa s) = 0.30412 @@ -2899,7 +2899,7 @@ Anhydrite 0.00 -5.11 -5.11 9.966e+00 9.967e+00 1.257e-03 pH = 6.525 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 894095 + Specific Conductance (µS/cm, 100°C) = 894094 Density (g/cm³) = 1.14459 Volume (L) = 1.13291 Viscosity (mPa s) = 0.30430 @@ -3091,7 +3091,7 @@ Anhydrite 0.00 -5.12 -5.12 9.968e+00 9.969e+00 1.260e-03 pH = 6.498 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1019237 + Specific Conductance (µS/cm, 100°C) = 1019236 Density (g/cm³) = 1.17115 Volume (L) = 1.15683 Viscosity (mPa s) = 0.30464 @@ -3203,10 +3203,10 @@ Anhydrite 0.00 -4.71 -4.71 1.000e+01 9.982e+00 -1.768e-02 pH = 6.533 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 9953 + Specific Conductance (µS/cm, 100°C) = 9951 Density (g/cm³) = 1.00217 Volume (L) = 1.00023 - Viscosity (mPa s) = 0.31144 + Viscosity (mPa s) = 0.31158 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.073e-02 Mass of water (kg) = 1.000e+00 @@ -3770,7 +3770,7 @@ Anhydrite 0.00 -4.77 -4.77 9.958e+00 9.954e+00 -3.378e-03 pH = 6.419 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 335758 + Specific Conductance (µS/cm, 100°C) = 335757 Density (g/cm³) = 1.05828 Volume (L) = 1.03367 Viscosity (mPa s) = 0.31629 @@ -3962,7 +3962,7 @@ Anhydrite 0.00 -4.79 -4.79 9.953e+00 9.953e+00 -1.125e-04 pH = 6.411 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 509690 + Specific Conductance (µS/cm, 100°C) = 509689 Density (g/cm³) = 1.09041 Volume (L) = 1.05700 Viscosity (mPa s) = 0.31737 @@ -4058,7 +4058,7 @@ Anhydrite 0.00 -4.80 -4.80 9.953e+00 9.953e+00 7.465e-04 pH = 6.408 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 589267 + Specific Conductance (µS/cm, 100°C) = 589266 Density (g/cm³) = 1.10559 Volume (L) = 1.06882 Viscosity (mPa s) = 0.31768 @@ -4250,7 +4250,7 @@ Anhydrite 0.00 -4.82 -4.82 9.955e+00 9.956e+00 1.635e-03 pH = 6.402 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 735965 + Specific Conductance (µS/cm, 100°C) = 735964 Density (g/cm³) = 1.13453 Volume (L) = 1.09271 Viscosity (mPa s) = 0.31809 @@ -4346,7 +4346,7 @@ Anhydrite 0.00 -4.83 -4.83 9.956e+00 9.958e+00 1.810e-03 pH = 6.398 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 803702 + Specific Conductance (µS/cm, 100°C) = 803701 Density (g/cm³) = 1.14840 Volume (L) = 1.10475 Viscosity (mPa s) = 0.31823 @@ -4759,7 +4759,7 @@ Anhydrite 0.00 -6.22 -6.22 1.000e+01 9.999e+00 -1.407e-03 Specific Conductance (µS/cm, 150°C) = 1379 Density (g/cm³) = 0.91721 Volume (L) = 1.09047 - Viscosity (mPa s) = 0.18295 + Viscosity (mPa s) = 0.18296 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.628e-03 Mass of water (kg) = 1.000e+00 @@ -5227,7 +5227,7 @@ Anhydrite 0.00 -6.22 -6.22 9.989e+00 9.987e+00 -1.295e-03 pH = 6.250 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 321936 + Specific Conductance (µS/cm, 150°C) = 321935 Density (g/cm³) = 0.95836 Volume (L) = 1.10622 Viscosity (mPa s) = 0.18551 @@ -5323,7 +5323,7 @@ Anhydrite 0.00 -6.22 -6.22 9.987e+00 9.985e+00 -2.558e-03 pH = 6.226 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 462151 + Specific Conductance (µS/cm, 150°C) = 462150 Density (g/cm³) = 0.97699 Volume (L) = 1.11539 Viscosity (mPa s) = 0.18613 @@ -5611,7 +5611,7 @@ Anhydrite 0.00 -6.22 -6.22 9.982e+00 9.981e+00 -8.697e-04 pH = 6.169 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 842166 + Specific Conductance (µS/cm, 150°C) = 842165 Density (g/cm³) = 1.02830 Volume (L) = 1.14552 Viscosity (mPa s) = 0.18740 @@ -5707,7 +5707,7 @@ Anhydrite 0.00 -6.22 -6.22 9.981e+00 9.980e+00 -5.578e-04 pH = 6.150 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 957107 + Specific Conductance (µS/cm, 150°C) = 957106 Density (g/cm³) = 1.04413 Volume (L) = 1.15621 Viscosity (mPa s) = 0.18772 @@ -6187,7 +6187,7 @@ Anhydrite 0.00 -6.22 -6.22 9.980e+00 9.980e+00 -7.918e-06 pH = 6.024 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1456152 + Specific Conductance (µS/cm, 150°C) = 1456151 Density (g/cm³) = 1.11563 Volume (L) = 1.21315 Viscosity (mPa s) = 0.18896 @@ -6304,7 +6304,7 @@ Anhydrite 0.00 -5.84 -5.84 1.000e+01 9.997e+00 -2.653e-03 Specific Conductance (µS/cm, 150°C) = 2470 Density (g/cm³) = 0.94312 Volume (L) = 1.06069 - Viscosity (mPa s) = 0.19526 + Viscosity (mPa s) = 0.19528 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.061e-02 Mass of water (kg) = 1.000e+00 @@ -6486,7 +6486,7 @@ Anhydrite 0.00 -5.87 -5.87 9.992e+00 9.989e+00 -2.928e-03 pH = 6.158 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 140668 + Specific Conductance (µS/cm, 150°C) = 140667 Density (g/cm³) = 0.96012 Volume (L) = 1.06749 Viscosity (mPa s) = 0.19696 @@ -6971,7 +6971,7 @@ Anhydrite 0.00 -5.91 -5.91 9.980e+00 9.978e+00 -1.932e-03 pH = 6.083 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 579939 + Specific Conductance (µS/cm, 150°C) = 579938 Density (g/cm³) = 1.01853 Volume (L) = 1.09945 Viscosity (mPa s) = 0.19930 @@ -7262,7 +7262,7 @@ Anhydrite -0.00 -5.93 -5.93 9.976e+00 9.976e+00 -3.833e-04 pH = 6.040 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 925821 + Specific Conductance (µS/cm, 150°C) = 925820 Density (g/cm³) = 1.06667 Volume (L) = 1.13232 Viscosity (mPa s) = 0.20042 @@ -7359,7 +7359,7 @@ Anhydrite -0.00 -5.94 -5.94 9.976e+00 9.976e+00 -1.276e-04 pH = 6.023 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1030100 + Specific Conductance (µS/cm, 150°C) = 1030099 Density (g/cm³) = 1.08165 Volume (L) = 1.14367 Viscosity (mPa s) = 0.20070 @@ -7553,7 +7553,7 @@ Anhydrite -0.00 -5.95 -5.95 9.976e+00 9.976e+00 1.415e-04 pH = 5.984 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1223983 + Specific Conductance (µS/cm, 150°C) = 1223982 Density (g/cm³) = 1.11025 Volume (L) = 1.16683 Viscosity (mPa s) = 0.20120 @@ -7650,7 +7650,7 @@ Anhydrite 0.00 -5.96 -5.96 9.976e+00 9.976e+00 1.877e-04 pH = 5.960 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1314063 + Specific Conductance (µS/cm, 150°C) = 1314062 Density (g/cm³) = 1.12393 Volume (L) = 1.17861 Viscosity (mPa s) = 0.20142 @@ -7861,10 +7861,10 @@ Anhydrite 0.00 -5.50 -5.50 1.000e+01 9.995e+00 -4.937e-03 pH = 6.090 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 4331 + Specific Conductance (µS/cm, 150°C) = 4330 Density (g/cm³) = 0.96563 Volume (L) = 1.03629 - Viscosity (mPa s) = 0.20699 + Viscosity (mPa s) = 0.20704 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.975e-02 Mass of water (kg) = 1.000e+00 @@ -8725,7 +8725,7 @@ Anhydrite -0.00 -5.61 -5.61 9.971e+00 9.970e+00 -6.285e-04 pH = 5.923 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 791132 + Specific Conductance (µS/cm, 150°C) = 791131 Density (g/cm³) = 1.07172 Volume (L) = 1.10045 Viscosity (mPa s) = 0.21229 @@ -8919,7 +8919,7 @@ Anhydrite -0.00 -5.63 -5.63 9.970e+00 9.970e+00 9.121e-05 pH = 5.896 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 995002 + Specific Conductance (µS/cm, 150°C) = 995001 Density (g/cm³) = 1.10171 Volume (L) = 1.12356 Viscosity (mPa s) = 0.21289 @@ -9016,7 +9016,7 @@ Anhydrite -0.00 -5.64 -5.64 9.970e+00 9.970e+00 2.746e-04 pH = 5.880 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1089504 + Specific Conductance (µS/cm, 150°C) = 1089503 Density (g/cm³) = 1.11605 Volume (L) = 1.13528 Viscosity (mPa s) = 0.21314 @@ -9307,7 +9307,7 @@ Anhydrite -0.00 -5.66 -5.66 9.971e+00 9.972e+00 3.987e-04 pH = 5.818 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1346545 + Specific Conductance (µS/cm, 150°C) = 1346544 Density (g/cm³) = 1.15679 Volume (L) = 1.17093 Viscosity (mPa s) = 0.21381 @@ -9433,7 +9433,7 @@ Anhydrite 0.00 -7.11 -7.11 1.000e+01 1.000e+01 -3.990e-04 Specific Conductance (µS/cm, 200°C) = 497 Density (g/cm³) = 0.86473 Volume (L) = 1.15649 - Viscosity (mPa s) = 0.13511 + Viscosity (mPa s) = 0.13509 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.597e-03 Mass of water (kg) = 1.000e+00 @@ -9517,7 +9517,7 @@ Anhydrite 0.00 -7.12 -7.12 1.000e+01 9.997e+00 -2.418e-03 pH = 6.163 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 85728 + Specific Conductance (µS/cm, 200°C) = 85727 Density (g/cm³) = 0.87480 Volume (L) = 1.15692 Viscosity (mPa s) = 0.13556 @@ -9997,7 +9997,7 @@ Anhydrite 0.00 -7.12 -7.12 9.992e+00 9.990e+00 -2.315e-03 pH = 6.066 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 548712 + Specific Conductance (µS/cm, 200°C) = 548711 Density (g/cm³) = 0.93068 Volume (L) = 1.17018 Viscosity (mPa s) = 0.13735 @@ -10189,7 +10189,7 @@ Anhydrite 0.00 -7.12 -7.12 9.988e+00 9.986e+00 -1.532e-03 pH = 6.024 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 868391 + Specific Conductance (µS/cm, 200°C) = 868390 Density (g/cm³) = 0.96791 Volume (L) = 1.18603 Viscosity (mPa s) = 0.13817 @@ -10381,7 +10381,7 @@ Anhydrite 0.00 -7.12 -7.12 9.985e+00 9.984e+00 -9.970e-04 pH = 5.980 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1160933 + Specific Conductance (µS/cm, 200°C) = 1160932 Density (g/cm³) = 1.00139 Volume (L) = 1.20504 Viscosity (mPa s) = 0.13881 @@ -10477,7 +10477,7 @@ Anhydrite 0.00 -7.12 -7.12 9.984e+00 9.983e+00 -8.146e-04 pH = 5.955 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1297170 + Specific Conductance (µS/cm, 200°C) = 1297169 Density (g/cm³) = 1.01689 Volume (L) = 1.21552 Viscosity (mPa s) = 0.13909 @@ -10573,7 +10573,7 @@ Anhydrite 0.00 -7.12 -7.12 9.983e+00 9.983e+00 -6.840e-04 pH = 5.927 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1426797 + Specific Conductance (µS/cm, 200°C) = 1426796 Density (g/cm³) = 1.03163 Volume (L) = 1.22657 Viscosity (mPa s) = 0.13935 @@ -10669,7 +10669,7 @@ Anhydrite 0.00 -7.12 -7.12 9.983e+00 9.982e+00 -6.005e-04 pH = 5.896 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1549891 + Specific Conductance (µS/cm, 200°C) = 1549889 Density (g/cm³) = 1.04564 Volume (L) = 1.23815 Viscosity (mPa s) = 0.13960 @@ -10765,7 +10765,7 @@ Anhydrite 0.00 -7.12 -7.12 9.982e+00 9.981e+00 -5.592e-04 pH = 5.861 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1666547 + Specific Conductance (µS/cm, 200°C) = 1666546 Density (g/cm³) = 1.05897 Volume (L) = 1.25023 Viscosity (mPa s) = 0.13984 @@ -10861,7 +10861,7 @@ Anhydrite 0.00 -7.12 -7.12 9.981e+00 9.981e+00 -5.562e-04 pH = 5.823 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1776878 + Specific Conductance (µS/cm, 200°C) = 1776877 Density (g/cm³) = 1.07165 Volume (L) = 1.26278 Viscosity (mPa s) = 0.14006 @@ -10978,7 +10978,7 @@ Anhydrite 0.00 -6.65 -6.65 1.000e+01 9.999e+00 -7.737e-04 Specific Conductance (µS/cm, 200°C) = 930 Density (g/cm³) = 0.89689 Volume (L) = 1.11508 - Viscosity (mPa s) = 0.14594 + Viscosity (mPa s) = 0.14596 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.094e-03 Mass of water (kg) = 1.000e+00 @@ -11548,7 +11548,7 @@ Anhydrite 0.00 -6.77 -6.77 9.989e+00 9.987e+00 -2.679e-03 pH = 5.943 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 533430 + Specific Conductance (µS/cm, 200°C) = 533429 Density (g/cm³) = 0.95889 Volume (L) = 1.13617 Viscosity (mPa s) = 0.14902 @@ -11742,7 +11742,7 @@ Anhydrite 0.00 -6.80 -6.80 9.985e+00 9.983e+00 -1.619e-03 pH = 5.912 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 837216 + Specific Conductance (µS/cm, 200°C) = 837215 Density (g/cm³) = 0.99454 Volume (L) = 1.15471 Viscosity (mPa s) = 0.14990 @@ -12033,7 +12033,7 @@ Anhydrite 0.00 -6.84 -6.84 9.981e+00 9.980e+00 -7.239e-04 pH = 5.856 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1242181 + Specific Conductance (µS/cm, 200°C) = 1242180 Density (g/cm³) = 1.04239 Volume (L) = 1.18618 Viscosity (mPa s) = 0.15087 @@ -12130,7 +12130,7 @@ Anhydrite 0.00 -6.84 -6.84 9.980e+00 9.980e+00 -5.700e-04 pH = 5.833 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1364644 + Specific Conductance (µS/cm, 200°C) = 1364643 Density (g/cm³) = 1.05707 Volume (L) = 1.19744 Viscosity (mPa s) = 0.15114 @@ -12227,7 +12227,7 @@ Anhydrite 0.00 -6.85 -6.85 9.980e+00 9.979e+00 -4.740e-04 pH = 5.806 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1481173 + Specific Conductance (µS/cm, 200°C) = 1481171 Density (g/cm³) = 1.07116 Volume (L) = 1.20902 Viscosity (mPa s) = 0.15139 @@ -12324,7 +12324,7 @@ Anhydrite 0.00 -6.86 -6.86 9.979e+00 9.979e+00 -4.280e-04 pH = 5.776 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1591950 + Specific Conductance (µS/cm, 200°C) = 1591949 Density (g/cm³) = 1.08472 Volume (L) = 1.22090 Viscosity (mPa s) = 0.15163 @@ -12421,7 +12421,7 @@ Anhydrite 0.00 -6.87 -6.87 9.979e+00 9.978e+00 -4.256e-04 pH = 5.743 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1697154 + Specific Conductance (µS/cm, 200°C) = 1697152 Density (g/cm³) = 1.09776 Volume (L) = 1.23307 Viscosity (mPa s) = 0.15186 @@ -12538,7 +12538,7 @@ Anhydrite 0.00 -6.29 -6.29 1.000e+01 9.999e+00 -1.368e-03 Specific Conductance (µS/cm, 200°C) = 1577 Density (g/cm³) = 0.92385 Volume (L) = 1.08263 - Viscosity (mPa s) = 0.15667 + Viscosity (mPa s) = 0.15669 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.471e-03 Mass of water (kg) = 1.000e+00 @@ -13205,7 +13205,7 @@ Anhydrite 0.00 -6.45 -6.45 9.983e+00 9.980e+00 -2.461e-03 pH = 5.800 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 668117 + Specific Conductance (µS/cm, 200°C) = 668116 Density (g/cm³) = 1.00129 Volume (L) = 1.11811 Viscosity (mPa s) = 0.16049 @@ -13399,7 +13399,7 @@ Anhydrite 0.00 -6.48 -6.48 9.979e+00 9.977e+00 -1.388e-03 pH = 5.773 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 944259 + Specific Conductance (µS/cm, 200°C) = 944258 Density (g/cm³) = 1.03461 Volume (L) = 1.13902 Viscosity (mPa s) = 0.16131 @@ -13496,7 +13496,7 @@ Anhydrite 0.00 -6.50 -6.50 9.977e+00 9.976e+00 -1.025e-03 pH = 5.757 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1072487 + Specific Conductance (µS/cm, 200°C) = 1072486 Density (g/cm³) = 1.05033 Volume (L) = 1.14992 Viscosity (mPa s) = 0.16165 @@ -13593,7 +13593,7 @@ Anhydrite 0.00 -6.51 -6.51 9.976e+00 9.975e+00 -7.589e-04 pH = 5.739 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1194624 + Specific Conductance (µS/cm, 200°C) = 1194623 Density (g/cm³) = 1.06549 Volume (L) = 1.16108 Viscosity (mPa s) = 0.16196 @@ -13690,7 +13690,7 @@ Anhydrite 0.00 -6.52 -6.52 9.975e+00 9.975e+00 -5.770e-04 pH = 5.718 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1310959 + Specific Conductance (µS/cm, 200°C) = 1310958 Density (g/cm³) = 1.08014 Volume (L) = 1.17246 Viscosity (mPa s) = 0.16224 @@ -13787,7 +13787,7 @@ Anhydrite 0.00 -6.53 -6.53 9.975e+00 9.974e+00 -4.670e-04 pH = 5.694 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1421748 + Specific Conductance (µS/cm, 200°C) = 1421747 Density (g/cm³) = 1.09431 Volume (L) = 1.18404 Viscosity (mPa s) = 0.16251 @@ -13884,7 +13884,7 @@ Anhydrite 0.00 -6.54 -6.54 9.974e+00 9.974e+00 -4.185e-04 pH = 5.666 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1527227 + Specific Conductance (µS/cm, 200°C) = 1527226 Density (g/cm³) = 1.10802 Volume (L) = 1.19581 Viscosity (mPa s) = 0.16276 @@ -13981,7 +13981,7 @@ Anhydrite 0.00 -6.55 -6.55 9.974e+00 9.974e+00 -4.230e-04 pH = 5.636 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1627614 + Specific Conductance (µS/cm, 200°C) = 1627613 Density (g/cm³) = 1.12131 Volume (L) = 1.20775 Viscosity (mPa s) = 0.16301 diff --git a/mytest/anh_P_NaCl_101.sel b/mytest/anh_P_NaCl_101.sel index c5e991751..dcbe0ba19 100644 --- a/mytest/anh_P_NaCl_101.sel +++ b/mytest/anh_P_NaCl_101.sel @@ -1,146 +1,146 @@ Mu SC - 0.000002945351 2.4460047673 - 0.021069013835 3371.3883434494 - 0.250599287338 59571.7877758389 - 0.465856338796 108256.3115221429 - 0.677111181804 154210.1458739026 - 0.886036779078 198333.0089786140 - 1.093316463291 241015.9651218468 - 1.606389000579 342658.0596390466 - 2.114203816224 438288.1701173827 - 2.618311224260 528771.6758010348 - 3.119752173390 614641.5521876951 - 3.619301364343 696276.6682934426 - 4.117551697025 773970.1224851266 - 4.614957643076 847961.7193988032 - 5.111864824009 918455.7275660414 - 5.608533090603 985631.5044613341 - 6.105155325748 1049650.2192620034 - 0.039403558626 5922.0548855138 - 0.275445808464 62069.1097743506 - 0.493929326149 110199.7068745780 - 0.707160577209 155417.0959384909 - 0.917342408744 198689.4719808341 - 1.125388614172 240449.0643585699 - 1.638969906525 339531.4813038078 - 2.146033277607 432349.8058849377 - 2.648673213935 519870.3113350898 - 3.148257773122 602688.3543786113 - 3.645771808775 681225.1605093109 - 4.141944697361 755804.0192300139 - 4.637318024437 826687.0170665683 - 5.132290735718 894095.3531492430 - 5.627152822675 958221.5794444979 - 6.122111547343 1019237.3713001249 - 0.070730850649 9953.9520315189 - 0.313007248981 66022.8367825881 - 0.534710873347 113417.9583541092 - 0.749849771027 157470.3489279592 - 0.961160733336 199253.1497808351 - 1.169799211922 239735.7765095113 - 1.683312710590 335758.0388509941 - 2.188937945962 425399.3089768316 - 2.689388135733 509690.1065803582 - 3.186402173125 589267.0277816346 - 3.681200098838 664578.3131607362 - 4.174661439092 735965.2810380649 - 4.667421605172 803702.2481490935 - 5.159935290144 868023.9327251265 - 5.652522429546 929121.9027986928 - 6.145402919581 987171.7996674861 - 0.005628333857 1379.2165763227 - 0.222782295975 75749.7590214831 - 0.432065121677 141127.8870029324 - 0.639290071109 203350.2267391780 - 0.845319589711 263472.9102531405 - 1.050498011999 321936.0365792583 - 1.560728813852 462151.0679083327 - 2.068050613106 595104.5604990339 - 2.573192373189 721614.3583618180 - 3.076671352741 842166.2765254822 - 3.578902433781 957107.0723718840 - 4.080227302433 1066712.8516384568 - 4.580926742189 1171218.9300837184 - 5.081229688894 1270834.8853912728 - 5.581321766145 1365752.9240583044 - 6.081353424670 1456152.8138174533 - 0.010613093002 2470.7624466187 - 0.233370343725 76487.0846691419 - 0.445084253029 140668.0128625236 - 0.653925574907 201431.0832568490 - 0.861121871198 259925.8743179551 - 1.067162880053 316640.7019036665 - 1.578653871279 452104.6479627981 - 2.086381783513 579939.1264054998 - 2.591385739950 701129.6261347680 - 3.094379232939 816278.9017545282 - 3.595912656619 925821.2302877668 - 4.096423072818 1030100.1611168347 - 4.596257964488 1129403.7735941752 - 5.095692024326 1223983.2535643179 - 5.594941342014 1314063.7091457564 - 6.094175874498 1399850.8723450191 - 0.019751189636 4331.2332500809 - 0.248784370342 78006.8131944284 - 0.463465669925 140404.3159739767 - 0.674304948824 199590.9103865007 - 0.882957244911 256387.4608151691 - 1.090086121284 311312.2282217797 - 1.603210480017 442036.3130556325 - 2.111537063349 564914.8972303424 - 2.616481659548 681051.3987650853 - 3.118995662274 791132.0614167921 - 3.619793692609 895652.5039161346 - 4.119428860283 995002.2351487462 - 4.618330620021 1089504.1545706987 - 5.116830971504 1179435.9287149028 - 5.615185457264 1265042.7861442463 - 6.113590715060 1346545.6378169307 - 0.001596527495 497.5867781686 - 0.211266811691 85728.0274581523 - 0.417484624625 162287.5614519860 - 0.622758927495 236007.5823293993 - 0.827464551631 307873.6134365566 - 1.031747984350 378259.5378643493 - 1.541010213062 548712.3288713247 - 2.048564641297 711987.7492800752 - 2.554692193633 868391.4000849392 - 3.059633405023 1018022.8547986107 - 3.563621581222 1160933.1205459752 - 4.066880072193 1297170.9034479526 - 4.569616196631 1426797.4907356910 - 5.072018116865 1549891.1417868782 - 5.574255020990 1666547.5436117267 - 6.076479762825 1776878.6313880968 - 0.003094362071 930.1895756939 - 0.216664001824 85753.8145790070 - 0.424700398705 160815.5776154063 - 0.631288844813 232585.3544848281 - 0.837024461560 302180.6021077985 - 1.042138895429 370048.7861597289 - 1.552855723870 533430.1314833504 - 2.061217792040 688926.5542534193 - 2.567692686156 837216.1271371054 - 3.072651996319 978680.8401669228 - 3.576429311246 1113593.9343999007 - 4.079325178937 1242181.0173666212 - 4.581605366857 1364644.2300316424 - 5.083501268857 1481173.1998528207 - 5.585213195876 1591950.4649744723 - 6.086915694346 1697154.2296798960 - 0.005470716878 1577.3040512892 - 0.223623400347 85693.5191885278 - 0.433871406183 159151.9305325022 - 0.642118151620 229004.5718190545 - 0.849206196602 296473.4499752690 - 1.055460598697 362057.6178395312 - 1.568361149345 519243.8099704354 - 2.078204976192 668117.3939167840 - 2.585648918323 809599.9071207122 - 3.091199967746 944259.0346444043 - 3.595299469354 1072487.8418141282 - 4.098335195921 1194624.9132701124 - 4.600643233590 1310959.3894483792 - 5.102511433963 1421748.6780127441 - 5.604185611469 1527227.7212452248 - 6.105877621012 1627614.5378946457 + 0.000002945351 2.4460046923 + 0.021069013835 3371.2451449068 + 0.250599287338 59571.7791981723 + 0.465856338796 108256.2922892307 + 0.677111181804 154210.1146138171 + 0.886036779078 198332.9647261387 + 1.093316463291 241015.9071475632 + 1.606389000579 342657.9650910025 + 2.114203816224 438288.0367891092 + 2.618311224260 528771.5022179300 + 3.119752173390 614641.3372555575 + 3.619301364343 696276.4111100482 + 4.117551697025 773969.8222290525 + 4.614957643076 847961.3752576226 + 5.111864824009 918455.3386852227 + 5.608533090603 985631.0699042315 + 6.105155325748 1049649.7379759457 + 0.039403558626 5921.4680283237 + 0.275445808464 62069.1001453974 + 0.493929326149 110199.6862494971 + 0.707160577209 155417.0630811840 + 0.917342408744 198689.4260433025 + 1.125388614172 240449.0047177400 + 1.638969906525 339531.3855463160 + 2.146033277607 432349.6722989609 + 2.648673213935 519870.1388368648 + 3.148257773122 602688.1421769878 + 3.645771808775 681224.9079351424 + 4.141944697361 755803.7256420485 + 4.637318024437 826686.6817945736 + 5.132290735718 894094.9754552627 + 5.627152822675 958221.1584927373 + 6.122111547343 1019236.9061308436 + 0.070730850649 9951.9962693513 + 0.313007248981 66022.8253556316 + 0.534710873347 113417.9354139113 + 0.749849771027 157470.3135045035 + 0.961160733336 199253.1012813800 + 1.169799211922 239735.7143366231 + 1.683312710590 335757.9409991397 + 2.188937945962 425399.1743116481 + 2.689388135733 509689.9344668996 + 3.186402173125 589266.8177690392 + 3.681200098838 664578.0648338833 + 4.174661439092 735964.9939447601 + 4.667421605172 803701.9217618275 + 5.159935290144 868023.5664177875 + 5.652522429546 929121.4958288217 + 6.145402919581 987171.3511598040 + 0.005628333857 1379.1711690258 + 0.222782295975 75749.7430407932 + 0.432065121677 141127.8503546468 + 0.639290071109 203350.1668427354 + 0.845319589711 263472.8254526816 + 1.050498011999 321935.9257616315 + 1.560728813852 462150.8892803171 + 2.068050613106 595104.3123547259 + 2.573192373189 721614.0403797020 + 3.076671352741 842165.8888601249 + 3.578902433781 957106.6151788027 + 4.080227302433 1066712.3248175492 + 4.580926742189 1171218.3331360826 + 5.081229688894 1270834.2173313119 + 5.581321766145 1365752.1833469085 + 6.081353424670 1456151.9982948843 + 0.010613093002 2470.6312737272 + 0.233370343725 76487.0667406872 + 0.445084253029 140667.9727987762 + 0.653925574907 201431.0186710905 + 0.861121871198 259925.7837744581 + 1.067162880053 316640.5845204063 + 1.578653871279 452104.4617189944 + 2.086381783513 579938.8709240940 + 2.591385739950 701129.3022203749 + 3.094379232939 816278.5104682156 + 3.595912656619 925820.7724892033 + 4.096423072818 1030099.6372383875 + 4.596257964488 1129403.1835318843 + 5.095692024326 1223982.5966230647 + 5.594941342014 1314062.9840026249 + 6.094175874498 1399850.0770092490 + 0.019751189636 4330.8421053108 + 0.248784370342 78006.7923243758 + 0.463465669925 140404.2712737048 + 0.674304948824 199590.8394779261 + 0.882957244911 256387.3624927527 + 1.090086121284 311312.1018483393 + 1.603210480017 442036.1158765696 + 2.111537063349 564914.6303206920 + 2.616481659548 681051.0641781322 + 3.118995662274 791131.6612311720 + 3.619793692609 895652.0397908260 + 4.119428860283 995001.7081264001 + 4.618330620021 1089503.5650027115 + 5.116830971504 1179435.2762403802 + 5.615185457264 1265042.0696846745 + 6.113590715060 1346544.8555643123 + 0.001596527495 497.6254274208 + 0.211266811691 85727.9895270484 + 0.417484624625 162287.4899084247 + 0.622758927495 236007.4676273660 + 0.827464551631 307873.4516662993 + 1.031747984350 378259.3266792855 + 1.541010213062 548711.9891550046 + 2.048564641297 711987.2792411410 + 2.554692193633 868390.8009981051 + 3.059633405023 1018022.1286836887 + 3.563621581222 1160932.2689033083 + 4.066880072193 1297169.9265230885 + 4.569616196631 1426796.3870500501 + 5.072018116865 1549889.9077797700 + 5.574255020990 1666546.1732929163 + 6.076479762825 1776877.1159272112 + 0.003094362071 930.1305919695 + 0.216664001824 85753.7812492311 + 0.424700398705 160815.5014999918 + 0.631288844813 232585.2306005004 + 0.837024461560 302180.4275898022 + 1.042138895429 370048.5593961300 + 1.552855723870 533429.7718164419 + 2.061217792040 688926.0631830255 + 2.567692686156 837215.5085727919 + 3.072651996319 978680.0981558627 + 3.576429311246 1113593.0719500491 + 4.079325178937 1242180.0358156413 + 4.581605366857 1364643.1286805922 + 5.083501268857 1481171.9757026506 + 5.585213195876 1591949.1124635015 + 6.086915694346 1697152.7403507028 + 0.005470716878 1577.2200154876 + 0.223623400347 85693.4815474258 + 0.433871406183 159151.8458964000 + 0.642118151620 229004.4354762677 + 0.849206196602 296473.2594583992 + 1.055460598697 362057.3719900127 + 1.568361149345 519243.4255776365 + 2.078204976192 668116.8753014837 + 2.585648918323 809599.2606151694 + 3.091199967746 944258.2662532493 + 3.595299469354 1072486.9560689195 + 4.098335195921 1194623.9126671415 + 4.600643233590 1310958.2741609162 + 5.102511433963 1421747.4457042296 + 5.604185611469 1527226.3668781032 + 6.105877621012 1627613.0534637391 diff --git a/mytest/anhy_K2SO4.out b/mytest/anhy_K2SO4.out index 4c53f4209..dc305eaf3 100644 --- a/mytest/anhy_K2SO4.out +++ b/mytest/anhy_K2SO4.out @@ -126,7 +126,7 @@ Syngenite Element not present. 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 3371 Density (g/cm³) = 0.95906 Volume (L) = 1.04343 - Viscosity (mPa s) = 0.28292 + Viscosity (mPa s) = 0.28294 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.107e-02 Mass of water (kg) = 1.000e+00 @@ -246,7 +246,7 @@ Syngenite -8.01 -15.59 -7.58 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 3416 Density (g/cm³) = 0.95907 Volume (L) = 1.04343 - Viscosity (mPa s) = 0.28292 + Viscosity (mPa s) = 0.28294 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.121e-02 Mass of water (kg) = 1.000e+00 @@ -337,10 +337,10 @@ Syngenite -4.61 -12.19 -7.58 0.000e+00 0 0.000e+00 pH = 6.375 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 5490 + Specific Conductance (µS/cm, 100°C) = 5489 Density (g/cm³) = 0.95948 Volume (L) = 1.04358 - Viscosity (mPa s) = 0.28295 + Viscosity (mPa s) = 0.28297 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.914e-02 Mass of water (kg) = 1.000e+00 @@ -434,7 +434,7 @@ Syngenite -3.91 -11.49 -7.58 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 7861 Density (g/cm³) = 0.95997 Volume (L) = 1.04372 - Viscosity (mPa s) = 0.28314 + Viscosity (mPa s) = 0.28316 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.963e-02 Mass of water (kg) = 1.000e+00 @@ -528,7 +528,7 @@ Syngenite -3.49 -11.07 -7.58 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 10304 Density (g/cm³) = 0.96049 Volume (L) = 1.04386 - Viscosity (mPa s) = 0.28337 + Viscosity (mPa s) = 0.28340 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.105e-02 Mass of water (kg) = 1.000e+00 @@ -622,7 +622,7 @@ Syngenite -3.20 -10.78 -7.58 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 12745 Density (g/cm³) = 0.96102 Volume (L) = 1.04400 - Viscosity (mPa s) = 0.28360 + Viscosity (mPa s) = 0.28363 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.284e-02 Mass of water (kg) = 1.000e+00 @@ -716,7 +716,7 @@ Syngenite -2.97 -10.55 -7.58 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 15163 Density (g/cm³) = 0.96156 Volume (L) = 1.04414 - Viscosity (mPa s) = 0.28384 + Viscosity (mPa s) = 0.28387 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.480e-02 Mass of water (kg) = 1.000e+00 @@ -807,10 +807,10 @@ Syngenite -1.88 -9.46 -7.58 0.000e+00 0 0.000e+00 pH = 6.641 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 37947 + Specific Conductance (µS/cm, 100°C) = 37946 Density (g/cm³) = 0.96693 Volume (L) = 1.04559 - Viscosity (mPa s) = 0.28607 + Viscosity (mPa s) = 0.28614 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.961e-01 Mass of water (kg) = 1.000e+00 @@ -901,10 +901,10 @@ Syngenite -1.40 -8.98 -7.58 0.000e+00 0 0.000e+00 pH = 6.697 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 59073 + Specific Conductance (µS/cm, 100°C) = 59070 Density (g/cm³) = 0.97225 Volume (L) = 1.04710 - Viscosity (mPa s) = 0.28821 + Viscosity (mPa s) = 0.28831 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.177e-01 Mass of water (kg) = 1.000e+00 @@ -995,10 +995,10 @@ Syngenite -1.10 -8.68 -7.58 0.000e+00 0 0.000e+00 pH = 6.733 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 79207 + Specific Conductance (µS/cm, 100°C) = 79203 Density (g/cm³) = 0.97750 Volume (L) = 1.04865 - Viscosity (mPa s) = 0.29033 + Viscosity (mPa s) = 0.29045 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.392e-01 Mass of water (kg) = 1.000e+00 @@ -1089,10 +1089,10 @@ Syngenite -0.91 -8.49 -7.58 0.000e+00 0 0.000e+00 pH = 6.757 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 95541 + Specific Conductance (µS/cm, 100°C) = 95536 Density (g/cm³) = 0.98187 Volume (L) = 1.04986 - Viscosity (mPa s) = 0.29211 + Viscosity (mPa s) = 0.29225 Activity of water = 0.993 Ionic strength (mol/kgw) = 5.410e-01 Mass of water (kg) = 9.999e-01 @@ -1183,10 +1183,10 @@ Syngenite -0.84 -8.42 -7.58 0.000e+00 0 0.000e+00 pH = 6.768 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 103852 + Specific Conductance (µS/cm, 100°C) = 103846 Density (g/cm³) = 0.98411 Volume (L) = 1.05014 - Viscosity (mPa s) = 0.29302 + Viscosity (mPa s) = 0.29317 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.935e-01 Mass of water (kg) = 9.995e-01 @@ -1277,10 +1277,10 @@ Syngenite -0.56 -8.14 -7.58 0.000e+00 0 0.000e+00 pH = 6.817 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 149606 + Specific Conductance (µS/cm, 100°C) = 149597 Density (g/cm³) = 0.99678 Volume (L) = 1.05427 - Viscosity (mPa s) = 0.29835 + Viscosity (mPa s) = 0.29853 Activity of water = 0.989 Ionic strength (mol/kgw) = 8.934e-01 Mass of water (kg) = 9.995e-01 @@ -1371,10 +1371,10 @@ Syngenite -0.36 -7.94 -7.58 0.000e+00 0 0.000e+00 pH = 6.854 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 193111 + Specific Conductance (µS/cm, 100°C) = 193099 Density (g/cm³) = 1.00920 Volume (L) = 1.05857 - Viscosity (mPa s) = 0.30387 + Viscosity (mPa s) = 0.30406 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.194e+00 Mass of water (kg) = 9.995e-01 @@ -1465,10 +1465,10 @@ Syngenite -0.21 -7.79 -7.58 0.000e+00 0 0.000e+00 pH = 6.885 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 234787 + Specific Conductance (µS/cm, 100°C) = 234774 Density (g/cm³) = 1.02140 Volume (L) = 1.06301 - Viscosity (mPa s) = 0.30960 + Viscosity (mPa s) = 0.30978 Activity of water = 0.982 Ionic strength (mol/kgw) = 1.495e+00 Mass of water (kg) = 9.995e-01 @@ -1559,10 +1559,10 @@ Syngenite -0.09 -7.67 -7.58 0.000e+00 0 0.000e+00 pH = 6.913 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 274871 + Specific Conductance (µS/cm, 100°C) = 274858 Density (g/cm³) = 1.03337 Volume (L) = 1.06759 - Viscosity (mPa s) = 0.31552 + Viscosity (mPa s) = 0.31567 Activity of water = 0.979 Ionic strength (mol/kgw) = 1.795e+00 Mass of water (kg) = 9.995e-01 @@ -1653,10 +1653,10 @@ Syngenite 0.00 -7.58 -7.58 0.000e+00 1.151e-02 1.151e-02 pH = 6.936 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 310057 + Specific Conductance (µS/cm, 100°C) = 310047 Density (g/cm³) = 1.04406 Volume (L) = 1.07167 - Viscosity (mPa s) = 0.32108 + Viscosity (mPa s) = 0.32118 Activity of water = 0.976 Ionic strength (mol/kgw) = 2.069e+00 Mass of water (kg) = 9.993e-01 @@ -1747,10 +1747,10 @@ Syngenite 0.00 -7.58 -7.58 1.151e-02 1.381e-01 1.266e-01 pH = 6.936 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 310057 + Specific Conductance (µS/cm, 100°C) = 310047 Density (g/cm³) = 1.04406 Volume (L) = 1.06972 - Viscosity (mPa s) = 0.32108 + Viscosity (mPa s) = 0.32118 Activity of water = 0.976 Ionic strength (mol/kgw) = 2.069e+00 Mass of water (kg) = 9.975e-01 @@ -1841,10 +1841,10 @@ Syngenite 0.00 -7.58 -7.58 1.381e-01 1.454e-01 7.383e-03 pH = 6.959 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 345107 + Specific Conductance (µS/cm, 100°C) = 345102 Density (g/cm³) = 1.05483 Volume (L) = 1.07409 - Viscosity (mPa s) = 0.32686 + Viscosity (mPa s) = 0.32691 Activity of water = 0.973 Ionic strength (mol/kgw) = 2.348e+00 Mass of water (kg) = 9.974e-01 @@ -1935,10 +1935,10 @@ Syngenite -0.00 -7.58 -7.58 1.454e-01 1.461e-01 6.547e-04 pH = 6.983 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 381009 + Specific Conductance (µS/cm, 100°C) = 381012 Density (g/cm³) = 1.06605 Volume (L) = 1.07894 - Viscosity (mPa s) = 0.33318 + Viscosity (mPa s) = 0.33315 Activity of water = 0.970 Ionic strength (mol/kgw) = 2.645e+00 Mass of water (kg) = 9.974e-01 @@ -2029,10 +2029,10 @@ Syngenite 0.00 -7.58 -7.58 1.461e-01 1.466e-01 5.055e-04 pH = 7.006 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 415822 + Specific Conductance (µS/cm, 100°C) = 415837 Density (g/cm³) = 1.07710 Volume (L) = 1.08389 - Viscosity (mPa s) = 0.33972 + Viscosity (mPa s) = 0.33959 Activity of water = 0.966 Ionic strength (mol/kgw) = 2.942e+00 Mass of water (kg) = 9.974e-01 @@ -2123,10 +2123,10 @@ Syngenite 0.00 -7.58 -7.58 1.466e-01 1.470e-01 4.031e-04 pH = 7.028 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 449563 + Specific Conductance (µS/cm, 100°C) = 449592 Density (g/cm³) = 1.08798 Volume (L) = 1.08895 - Viscosity (mPa s) = 0.34645 + Viscosity (mPa s) = 0.34622 Activity of water = 0.963 Ionic strength (mol/kgw) = 3.240e+00 Mass of water (kg) = 9.974e-01 @@ -2217,10 +2217,10 @@ Syngenite 0.00 -7.58 -7.58 1.470e-01 1.473e-01 3.298e-04 pH = 7.050 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 482251 + Specific Conductance (µS/cm, 100°C) = 482297 Density (g/cm³) = 1.09867 Volume (L) = 1.09411 - Viscosity (mPa s) = 0.35338 + Viscosity (mPa s) = 0.35303 Activity of water = 0.959 Ionic strength (mol/kgw) = 3.538e+00 Mass of water (kg) = 9.973e-01 @@ -2311,10 +2311,10 @@ Syngenite 0.00 -7.58 -7.58 1.473e-01 1.476e-01 2.754e-04 pH = 7.072 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 513909 + Specific Conductance (µS/cm, 100°C) = 513977 Density (g/cm³) = 1.10919 Volume (L) = 1.09937 - Viscosity (mPa s) = 0.36051 + Viscosity (mPa s) = 0.36002 Activity of water = 0.956 Ionic strength (mol/kgw) = 3.837e+00 Mass of water (kg) = 9.973e-01 @@ -2405,10 +2405,10 @@ Syngenite 0.00 -7.58 -7.58 1.476e-01 1.478e-01 1.452e-04 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -2499,10 +2499,10 @@ Syngenite 0.00 -7.58 -7.58 1.478e-01 1.478e-01 0.000e+00 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -2593,10 +2593,10 @@ Syngenite 0.00 -7.58 -7.58 1.478e-01 1.478e-01 0.000e+00 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -2687,10 +2687,10 @@ Syngenite 0.00 -7.58 -7.58 1.478e-01 1.478e-01 0.000e+00 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -2781,10 +2781,10 @@ Syngenite 0.00 -7.58 -7.58 1.478e-01 1.478e-01 0.000e+00 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -2875,10 +2875,10 @@ Syngenite 0.00 -7.58 -7.58 1.478e-01 1.478e-01 0.000e+00 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -2969,10 +2969,10 @@ Syngenite 0.00 -7.58 -7.58 1.478e-01 1.478e-01 0.000e+00 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -3063,10 +3063,10 @@ Syngenite 0.00 -7.58 -7.58 1.478e-01 1.478e-01 0.000e+00 pH = 7.085 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 532501 + Specific Conductance (µS/cm, 100°C) = 532583 Density (g/cm³) = 1.11544 Volume (L) = 1.10258 - Viscosity (mPa s) = 0.36490 + Viscosity (mPa s) = 0.36432 Activity of water = 0.954 Ionic strength (mol/kgw) = 4.017e+00 Mass of water (kg) = 9.973e-01 @@ -3179,7 +3179,7 @@ Syngenite -8.69 -16.81 -8.11 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 1440 Density (g/cm³) = 0.91722 Volume (L) = 1.09047 - Viscosity (mPa s) = 0.18293 + Viscosity (mPa s) = 0.18294 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.758e-03 Mass of water (kg) = 1.000e+00 @@ -3272,10 +3272,10 @@ Syngenite -5.06 -13.17 -8.11 0.000e+00 0 0.000e+00 pH = 6.292 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 4767 + Specific Conductance (µS/cm, 150°C) = 4766 Density (g/cm³) = 0.91770 Volume (L) = 1.09057 - Viscosity (mPa s) = 0.18301 + Viscosity (mPa s) = 0.18303 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.550e-02 Mass of water (kg) = 1.000e+00 @@ -3371,7 +3371,7 @@ Syngenite -4.32 -12.44 -8.11 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 8344 Density (g/cm³) = 0.91826 Volume (L) = 1.09067 - Viscosity (mPa s) = 0.18313 + Viscosity (mPa s) = 0.18316 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.733e-02 Mass of water (kg) = 1.000e+00 @@ -3467,7 +3467,7 @@ Syngenite -3.90 -12.02 -8.11 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 11825 Density (g/cm³) = 0.91882 Volume (L) = 1.09077 - Viscosity (mPa s) = 0.18323 + Viscosity (mPa s) = 0.18327 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.939e-02 Mass of water (kg) = 1.000e+00 @@ -3560,10 +3560,10 @@ Syngenite -3.61 -11.72 -8.11 0.000e+00 0 0.000e+00 pH = 6.465 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 15211 + Specific Conductance (µS/cm, 150°C) = 15210 Density (g/cm³) = 0.91938 Volume (L) = 1.09086 - Viscosity (mPa s) = 0.18332 + Viscosity (mPa s) = 0.18337 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.151e-02 Mass of water (kg) = 1.000e+00 @@ -3656,10 +3656,10 @@ Syngenite -3.39 -11.50 -8.11 0.000e+00 0 0.000e+00 pH = 6.492 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 18517 + Specific Conductance (µS/cm, 150°C) = 18516 Density (g/cm³) = 0.91994 Volume (L) = 1.09096 - Viscosity (mPa s) = 0.18340 + Viscosity (mPa s) = 0.18346 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.364e-02 Mass of water (kg) = 1.000e+00 @@ -3752,10 +3752,10 @@ Syngenite -2.34 -10.46 -8.12 0.000e+00 0 0.000e+00 pH = 6.613 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 48995 + Specific Conductance (µS/cm, 150°C) = 48991 Density (g/cm³) = 0.92544 Volume (L) = 1.09205 - Viscosity (mPa s) = 0.18418 + Viscosity (mPa s) = 0.18433 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.848e-01 Mass of water (kg) = 1.000e+00 @@ -3848,10 +3848,10 @@ Syngenite -1.89 -10.01 -8.12 0.000e+00 0 0.000e+00 pH = 6.664 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 76991 + Specific Conductance (µS/cm, 150°C) = 76982 Density (g/cm³) = 0.93084 Volume (L) = 1.09324 - Viscosity (mPa s) = 0.18501 + Viscosity (mPa s) = 0.18524 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.058e-01 Mass of water (kg) = 1.000e+00 @@ -3944,10 +3944,10 @@ Syngenite -1.60 -9.72 -8.12 0.000e+00 0 0.000e+00 pH = 6.697 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 103631 + Specific Conductance (µS/cm, 150°C) = 103616 Density (g/cm³) = 0.93616 Volume (L) = 1.09451 - Viscosity (mPa s) = 0.18594 + Viscosity (mPa s) = 0.18622 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.266e-01 Mass of water (kg) = 1.000e+00 @@ -4040,10 +4040,10 @@ Syngenite -1.40 -9.51 -8.12 0.000e+00 0 0.000e+00 pH = 6.721 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 129332 + Specific Conductance (µS/cm, 150°C) = 129310 Density (g/cm³) = 0.94140 Volume (L) = 1.09584 - Viscosity (mPa s) = 0.18695 + Viscosity (mPa s) = 0.18729 Activity of water = 0.993 Ionic strength (mol/kgw) = 5.475e-01 Mass of water (kg) = 1.000e+00 @@ -4136,10 +4136,10 @@ Syngenite -1.23 -9.35 -8.12 0.000e+00 0 0.000e+00 pH = 6.741 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 154304 + Specific Conductance (µS/cm, 150°C) = 154274 Density (g/cm³) = 0.94659 Volume (L) = 1.09723 - Viscosity (mPa s) = 0.18805 + Viscosity (mPa s) = 0.18844 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.683e-01 Mass of water (kg) = 1.000e+00 @@ -4232,10 +4232,10 @@ Syngenite -0.93 -9.05 -8.12 0.000e+00 0 0.000e+00 pH = 6.780 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 214269 + Specific Conductance (µS/cm, 150°C) = 214218 Density (g/cm³) = 0.95931 Volume (L) = 1.10092 - Viscosity (mPa s) = 0.19112 + Viscosity (mPa s) = 0.19160 Activity of water = 0.989 Ionic strength (mol/kgw) = 9.704e-01 Mass of water (kg) = 1.000e+00 @@ -4328,10 +4328,10 @@ Syngenite -0.72 -8.84 -8.12 0.000e+00 0 0.000e+00 pH = 6.811 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 271431 + Specific Conductance (µS/cm, 150°C) = 271360 Density (g/cm³) = 0.97172 Volume (L) = 1.10487 - Viscosity (mPa s) = 0.19460 + Viscosity (mPa s) = 0.19514 Activity of water = 0.985 Ionic strength (mol/kgw) = 1.272e+00 Mass of water (kg) = 1.000e+00 @@ -4424,10 +4424,10 @@ Syngenite -0.56 -8.68 -8.12 0.000e+00 0 0.000e+00 pH = 6.838 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 326276 + Specific Conductance (µS/cm, 150°C) = 326188 Density (g/cm³) = 0.98383 Volume (L) = 1.10905 - Viscosity (mPa s) = 0.19843 + Viscosity (mPa s) = 0.19900 Activity of water = 0.982 Ionic strength (mol/kgw) = 1.574e+00 Mass of water (kg) = 1.000e+00 @@ -4520,10 +4520,10 @@ Syngenite -0.47 -8.59 -8.12 0.000e+00 0 0.000e+00 pH = 6.856 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 363971 + Specific Conductance (µS/cm, 150°C) = 363874 Density (g/cm³) = 0.99226 Volume (L) = 1.11156 - Viscosity (mPa s) = 0.20134 + Viscosity (mPa s) = 0.20192 Activity of water = 0.980 Ionic strength (mol/kgw) = 1.789e+00 Mass of water (kg) = 9.995e-01 @@ -4616,10 +4616,10 @@ Syngenite -0.37 -8.49 -8.12 0.000e+00 0 0.000e+00 pH = 6.880 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 415369 + Specific Conductance (µS/cm, 150°C) = 415262 Density (g/cm³) = 1.00389 Volume (L) = 1.11609 - Viscosity (mPa s) = 0.20567 + Viscosity (mPa s) = 0.20624 Activity of water = 0.977 Ionic strength (mol/kgw) = 2.090e+00 Mass of water (kg) = 9.995e-01 @@ -4712,10 +4712,10 @@ Syngenite -0.29 -8.41 -8.12 0.000e+00 0 0.000e+00 pH = 6.903 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 464966 + Specific Conductance (µS/cm, 150°C) = 464856 Density (g/cm³) = 1.01526 Volume (L) = 1.12080 - Viscosity (mPa s) = 0.21027 + Viscosity (mPa s) = 0.21081 Activity of water = 0.974 Ionic strength (mol/kgw) = 2.392e+00 Mass of water (kg) = 9.995e-01 @@ -4808,10 +4808,10 @@ Syngenite -0.22 -8.33 -8.12 0.000e+00 0 0.000e+00 pH = 6.926 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 512854 + Specific Conductance (µS/cm, 150°C) = 512748 Density (g/cm³) = 1.02638 Volume (L) = 1.12568 - Viscosity (mPa s) = 0.21512 + Viscosity (mPa s) = 0.21560 Activity of water = 0.971 Ionic strength (mol/kgw) = 2.693e+00 Mass of water (kg) = 9.995e-01 @@ -4904,10 +4904,10 @@ Syngenite -0.15 -8.27 -8.12 0.000e+00 0 0.000e+00 pH = 6.947 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 559106 + Specific Conductance (µS/cm, 150°C) = 559009 Density (g/cm³) = 1.03726 Volume (L) = 1.13072 - Viscosity (mPa s) = 0.22019 + Viscosity (mPa s) = 0.22060 Activity of water = 0.968 Ionic strength (mol/kgw) = 2.994e+00 Mass of water (kg) = 9.995e-01 @@ -5000,10 +5000,10 @@ Syngenite -0.09 -8.21 -8.12 0.000e+00 0 0.000e+00 pH = 6.969 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 603778 + Specific Conductance (µS/cm, 150°C) = 603697 Density (g/cm³) = 1.04790 Volume (L) = 1.13591 - Viscosity (mPa s) = 0.22548 + Viscosity (mPa s) = 0.22580 Activity of water = 0.964 Ionic strength (mol/kgw) = 3.296e+00 Mass of water (kg) = 9.995e-01 @@ -5096,10 +5096,10 @@ Syngenite -0.04 -8.16 -8.12 0.000e+00 0 0.000e+00 pH = 6.990 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 646921 + Specific Conductance (µS/cm, 150°C) = 646863 Density (g/cm³) = 1.05831 Volume (L) = 1.14125 - Viscosity (mPa s) = 0.23097 + Viscosity (mPa s) = 0.23119 Activity of water = 0.961 Ionic strength (mol/kgw) = 3.597e+00 Mass of water (kg) = 9.995e-01 @@ -5192,10 +5192,10 @@ Syngenite 0.00 -8.12 -8.12 0.000e+00 2.510e-02 2.510e-02 pH = 7.007 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 680521 + Specific Conductance (µS/cm, 150°C) = 680486 Density (g/cm³) = 1.06651 Volume (L) = 1.14523 - Viscosity (mPa s) = 0.23553 + Viscosity (mPa s) = 0.23566 Activity of water = 0.959 Ionic strength (mol/kgw) = 3.839e+00 Mass of water (kg) = 9.991e-01 @@ -5288,10 +5288,10 @@ Syngenite 0.00 -8.12 -8.12 2.510e-02 1.444e-01 1.193e-01 pH = 7.009 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 683292 + Specific Conductance (µS/cm, 150°C) = 683260 Density (g/cm³) = 1.06719 Volume (L) = 1.14364 - Viscosity (mPa s) = 0.23591 + Viscosity (mPa s) = 0.23604 Activity of water = 0.959 Ionic strength (mol/kgw) = 3.860e+00 Mass of water (kg) = 9.974e-01 @@ -5384,10 +5384,10 @@ Syngenite 0.00 -8.12 -8.12 1.444e-01 1.447e-01 3.399e-04 pH = 7.030 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 723440 + Specific Conductance (µS/cm, 150°C) = 723442 Density (g/cm³) = 1.07709 Volume (L) = 1.14920 - Viscosity (mPa s) = 0.24170 + Viscosity (mPa s) = 0.24169 Activity of water = 0.955 Ionic strength (mol/kgw) = 4.158e+00 Mass of water (kg) = 9.974e-01 @@ -5480,10 +5480,10 @@ Syngenite 0.00 -8.12 -8.12 1.447e-01 1.450e-01 2.896e-04 pH = 7.051 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 762229 + Specific Conductance (µS/cm, 150°C) = 762272 Density (g/cm³) = 1.08678 Volume (L) = 1.15489 - Viscosity (mPa s) = 0.24767 + Viscosity (mPa s) = 0.24751 Activity of water = 0.952 Ionic strength (mol/kgw) = 4.457e+00 Mass of water (kg) = 9.974e-01 @@ -5576,10 +5576,10 @@ Syngenite 0.00 -8.12 -8.12 1.450e-01 1.453e-01 2.479e-04 pH = 7.072 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 799684 + Specific Conductance (µS/cm, 150°C) = 799773 Density (g/cm³) = 1.09627 Volume (L) = 1.16072 - Viscosity (mPa s) = 0.25382 + Viscosity (mPa s) = 0.25351 Activity of water = 0.949 Ionic strength (mol/kgw) = 4.756e+00 Mass of water (kg) = 9.974e-01 @@ -5672,10 +5672,10 @@ Syngenite 0.00 -8.12 -8.12 1.453e-01 1.455e-01 2.127e-04 pH = 7.092 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 835829 + Specific Conductance (µS/cm, 150°C) = 835970 Density (g/cm³) = 1.10556 Volume (L) = 1.16667 - Viscosity (mPa s) = 0.26014 + Viscosity (mPa s) = 0.25966 Activity of water = 0.946 Ionic strength (mol/kgw) = 5.055e+00 Mass of water (kg) = 9.974e-01 @@ -5768,10 +5768,10 @@ Syngenite 0.00 -8.12 -8.12 1.455e-01 1.455e-01 5.538e-05 pH = 7.098 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 845988 + Specific Conductance (µS/cm, 150°C) = 846145 Density (g/cm³) = 1.10819 Volume (L) = 1.16840 - Viscosity (mPa s) = 0.26199 + Viscosity (mPa s) = 0.26146 Activity of water = 0.945 Ionic strength (mol/kgw) = 5.141e+00 Mass of water (kg) = 9.974e-01 @@ -5864,10 +5864,10 @@ Syngenite -0.00 -8.12 -8.12 1.455e-01 1.455e-01 1.865e-14 pH = 7.098 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 845988 + Specific Conductance (µS/cm, 150°C) = 846145 Density (g/cm³) = 1.10819 Volume (L) = 1.16840 - Viscosity (mPa s) = 0.26199 + Viscosity (mPa s) = 0.26146 Activity of water = 0.945 Ionic strength (mol/kgw) = 5.141e+00 Mass of water (kg) = 9.974e-01 @@ -5960,10 +5960,10 @@ Syngenite -0.00 -8.12 -8.12 1.455e-01 1.455e-01 0.000e+00 pH = 7.098 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 845988 + Specific Conductance (µS/cm, 150°C) = 846145 Density (g/cm³) = 1.10819 Volume (L) = 1.16840 - Viscosity (mPa s) = 0.26199 + Viscosity (mPa s) = 0.26146 Activity of water = 0.945 Ionic strength (mol/kgw) = 5.141e+00 Mass of water (kg) = 9.974e-01 @@ -6056,10 +6056,10 @@ Syngenite -0.00 -8.12 -8.12 1.455e-01 1.455e-01 0.000e+00 pH = 7.098 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 845988 + Specific Conductance (µS/cm, 150°C) = 846145 Density (g/cm³) = 1.10819 Volume (L) = 1.16840 - Viscosity (mPa s) = 0.26199 + Viscosity (mPa s) = 0.26146 Activity of water = 0.945 Ionic strength (mol/kgw) = 5.141e+00 Mass of water (kg) = 9.974e-01 @@ -6173,7 +6173,7 @@ Syngenite -9.56 -18.08 -8.52 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 570 Density (g/cm³) = 0.86474 Volume (L) = 1.15649 - Viscosity (mPa s) = 0.13508 + Viscosity (mPa s) = 0.13506 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.727e-03 Mass of water (kg) = 1.000e+00 @@ -6266,10 +6266,10 @@ Syngenite -5.63 -14.15 -8.52 0.000e+00 0 0.000e+00 pH = 6.435 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 4870 + Specific Conductance (µS/cm, 200°C) = 4871 Density (g/cm³) = 0.86533 Volume (L) = 1.15648 - Viscosity (mPa s) = 0.13749 + Viscosity (mPa s) = 0.13735 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.284e-02 Mass of water (kg) = 1.000e+00 @@ -6362,10 +6362,10 @@ Syngenite -4.91 -13.43 -8.52 0.000e+00 0 0.000e+00 pH = 6.529 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 9053 + Specific Conductance (µS/cm, 200°C) = 9055 Density (g/cm³) = 0.86594 Volume (L) = 1.15647 - Viscosity (mPa s) = 0.14093 + Viscosity (mPa s) = 0.14062 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.486e-02 Mass of water (kg) = 1.000e+00 @@ -6458,10 +6458,10 @@ Syngenite -4.50 -13.02 -8.52 0.000e+00 0 0.000e+00 pH = 6.579 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 13021 + Specific Conductance (µS/cm, 200°C) = 13026 Density (g/cm³) = 0.86654 Volume (L) = 1.15647 - Viscosity (mPa s) = 0.14548 + Viscosity (mPa s) = 0.14492 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.692e-02 Mass of water (kg) = 1.000e+00 @@ -6554,10 +6554,10 @@ Syngenite -4.22 -12.74 -8.52 0.000e+00 0 0.000e+00 pH = 6.613 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 16822 + Specific Conductance (µS/cm, 200°C) = 16830 Density (g/cm³) = 0.86715 Volume (L) = 1.15647 - Viscosity (mPa s) = 0.15156 + Viscosity (mPa s) = 0.15067 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.899e-02 Mass of water (kg) = 1.000e+00 @@ -6650,10 +6650,10 @@ Syngenite -4.01 -12.53 -8.52 0.000e+00 0 0.000e+00 pH = 6.637 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 20471 + Specific Conductance (µS/cm, 200°C) = 20485 Density (g/cm³) = 0.86775 Volume (L) = 1.15648 - Viscosity (mPa s) = 0.15999 + Viscosity (mPa s) = 0.15864 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.106e-02 Mass of water (kg) = 1.000e+00 @@ -6746,10 +6746,10 @@ Syngenite -3.03 -11.55 -8.52 0.000e+00 0 0.000e+00 pH = 6.741 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 65290 + Specific Conductance (µS/cm, 200°C) = 63700 Density (g/cm³) = 0.87359 Volume (L) = 1.15674 - Viscosity (mPa s) = 0.02654 + Viscosity (mPa s) = 0.03282 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.817e-01 Mass of water (kg) = 1.000e+00 @@ -6842,10 +6842,10 @@ Syngenite -2.61 -11.13 -8.52 0.000e+00 0 0.000e+00 pH = 6.782 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 91871 + Specific Conductance (µS/cm, 200°C) = 91483 Density (g/cm³) = 0.87926 Volume (L) = 1.15724 - Viscosity (mPa s) = 0.07678 + Viscosity (mPa s) = 0.08032 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.022e-01 Mass of water (kg) = 1.000e+00 @@ -6938,10 +6938,10 @@ Syngenite -2.35 -10.87 -8.52 0.000e+00 0 0.000e+00 pH = 6.807 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 122581 + Specific Conductance (µS/cm, 200°C) = 122176 Density (g/cm³) = 0.88478 Volume (L) = 1.15791 - Viscosity (mPa s) = 0.08566 + Viscosity (mPa s) = 0.08879 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.228e-01 Mass of water (kg) = 1.000e+00 @@ -7034,10 +7034,10 @@ Syngenite -2.16 -10.68 -8.52 0.000e+00 0 0.000e+00 pH = 6.826 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 152570 + Specific Conductance (µS/cm, 200°C) = 152111 Density (g/cm³) = 0.89019 Volume (L) = 1.15873 - Viscosity (mPa s) = 0.08957 + Viscosity (mPa s) = 0.09256 Activity of water = 0.994 Ionic strength (mol/kgw) = 5.433e-01 Mass of water (kg) = 1.000e+00 @@ -7130,10 +7130,10 @@ Syngenite -2.01 -10.53 -8.53 0.000e+00 0 0.000e+00 pH = 6.841 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 181835 + Specific Conductance (µS/cm, 200°C) = 181313 Density (g/cm³) = 0.89549 Volume (L) = 1.15968 - Viscosity (mPa s) = 0.09203 + Viscosity (mPa s) = 0.09495 Activity of water = 0.993 Ionic strength (mol/kgw) = 6.639e-01 Mass of water (kg) = 1.000e+00 @@ -7226,10 +7226,10 @@ Syngenite -1.74 -10.26 -8.53 0.000e+00 0 0.000e+00 pH = 6.871 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 252296 + Specific Conductance (µS/cm, 200°C) = 251616 Density (g/cm³) = 0.90834 Volume (L) = 1.16251 - Viscosity (mPa s) = 0.09638 + Viscosity (mPa s) = 0.09925 Activity of water = 0.990 Ionic strength (mol/kgw) = 9.655e-01 Mass of water (kg) = 1.000e+00 @@ -7322,10 +7322,10 @@ Syngenite -1.54 -10.07 -8.53 0.000e+00 0 0.000e+00 pH = 6.896 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 319480 + Specific Conductance (µS/cm, 200°C) = 318660 Density (g/cm³) = 0.92068 Volume (L) = 1.16593 - Viscosity (mPa s) = 0.10023 + Viscosity (mPa s) = 0.10306 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.267e+00 Mass of water (kg) = 1.000e+00 @@ -7418,10 +7418,10 @@ Syngenite -1.40 -9.92 -8.53 0.000e+00 0 0.000e+00 pH = 6.918 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 383792 + Specific Conductance (µS/cm, 200°C) = 382860 Density (g/cm³) = 0.93254 Volume (L) = 1.16984 - Viscosity (mPa s) = 0.10420 + Viscosity (mPa s) = 0.10699 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.569e+00 Mass of water (kg) = 1.000e+00 @@ -7514,10 +7514,10 @@ Syngenite -1.27 -9.80 -8.53 0.000e+00 0 0.000e+00 pH = 6.939 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 445457 + Specific Conductance (µS/cm, 200°C) = 444441 Density (g/cm³) = 0.94397 Volume (L) = 1.17421 - Viscosity (mPa s) = 0.10842 + Viscosity (mPa s) = 0.11114 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.871e+00 Mass of water (kg) = 1.000e+00 @@ -7610,10 +7610,10 @@ Syngenite -1.21 -9.74 -8.53 0.000e+00 0 0.000e+00 pH = 6.954 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 487644 + Specific Conductance (µS/cm, 200°C) = 486587 Density (g/cm³) = 0.95182 Volume (L) = 1.17694 - Viscosity (mPa s) = 0.11156 + Viscosity (mPa s) = 0.11422 Activity of water = 0.979 Ionic strength (mol/kgw) = 2.085e+00 Mass of water (kg) = 9.995e-01 @@ -7706,10 +7706,10 @@ Syngenite -1.13 -9.66 -8.53 0.000e+00 0 0.000e+00 pH = 6.974 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 545052 + Specific Conductance (µS/cm, 200°C) = 543962 Density (g/cm³) = 0.96255 Volume (L) = 1.18200 - Viscosity (mPa s) = 0.11621 + Viscosity (mPa s) = 0.11877 Activity of water = 0.976 Ionic strength (mol/kgw) = 2.387e+00 Mass of water (kg) = 9.995e-01 @@ -7802,10 +7802,10 @@ Syngenite -1.06 -9.60 -8.53 0.000e+00 0 0.000e+00 pH = 6.995 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 600102 + Specific Conductance (µS/cm, 200°C) = 599005 Density (g/cm³) = 0.97288 Volume (L) = 1.18742 - Viscosity (mPa s) = 0.12108 + Viscosity (mPa s) = 0.12353 Activity of water = 0.973 Ionic strength (mol/kgw) = 2.689e+00 Mass of water (kg) = 9.995e-01 @@ -7898,10 +7898,10 @@ Syngenite -1.01 -9.54 -8.53 0.000e+00 0 0.000e+00 pH = 7.015 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 652867 + Specific Conductance (µS/cm, 200°C) = 651784 Density (g/cm³) = 0.98284 Volume (L) = 1.19319 - Viscosity (mPa s) = 0.12618 + Viscosity (mPa s) = 0.12850 Activity of water = 0.970 Ionic strength (mol/kgw) = 2.991e+00 Mass of water (kg) = 9.995e-01 @@ -7994,10 +7994,10 @@ Syngenite -0.95 -9.48 -8.53 0.000e+00 0 0.000e+00 pH = 7.035 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 703407 + Specific Conductance (µS/cm, 200°C) = 702360 Density (g/cm³) = 0.99244 Volume (L) = 1.19928 - Viscosity (mPa s) = 0.13147 + Viscosity (mPa s) = 0.13364 Activity of water = 0.967 Ionic strength (mol/kgw) = 3.293e+00 Mass of water (kg) = 9.995e-01 @@ -8090,10 +8090,10 @@ Syngenite -0.90 -9.44 -8.53 0.000e+00 0 0.000e+00 pH = 7.055 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 751780 + Specific Conductance (µS/cm, 200°C) = 750787 Density (g/cm³) = 1.00168 Volume (L) = 1.20569 - Viscosity (mPa s) = 0.13694 + Viscosity (mPa s) = 0.13896 Activity of water = 0.964 Ionic strength (mol/kgw) = 3.595e+00 Mass of water (kg) = 9.995e-01 @@ -8186,10 +8186,10 @@ Syngenite -0.86 -9.39 -8.53 0.000e+00 0 0.000e+00 pH = 7.075 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 798041 + Specific Conductance (µS/cm, 200°C) = 797116 Density (g/cm³) = 1.01057 Volume (L) = 1.21240 - Viscosity (mPa s) = 0.14259 + Viscosity (mPa s) = 0.14443 Activity of water = 0.962 Ionic strength (mol/kgw) = 3.897e+00 Mass of water (kg) = 9.995e-01 @@ -8282,10 +8282,10 @@ Syngenite -0.82 -9.35 -8.54 0.000e+00 0 0.000e+00 pH = 7.095 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 842242 + Specific Conductance (µS/cm, 200°C) = 841397 Density (g/cm³) = 1.01913 Volume (L) = 1.21939 - Viscosity (mPa s) = 0.14839 + Viscosity (mPa s) = 0.15006 Activity of water = 0.959 Ionic strength (mol/kgw) = 4.199e+00 Mass of water (kg) = 9.995e-01 @@ -8378,10 +8378,10 @@ Syngenite -0.78 -9.31 -8.54 0.000e+00 0 0.000e+00 pH = 7.115 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 884432 + Specific Conductance (µS/cm, 200°C) = 883680 Density (g/cm³) = 1.02736 Volume (L) = 1.22666 - Viscosity (mPa s) = 0.15435 + Viscosity (mPa s) = 0.15582 Activity of water = 0.956 Ionic strength (mol/kgw) = 4.502e+00 Mass of water (kg) = 9.995e-01 @@ -8474,10 +8474,10 @@ Syngenite -0.74 -9.28 -8.54 0.000e+00 0 0.000e+00 pH = 7.134 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 924662 + Specific Conductance (µS/cm, 200°C) = 924011 Density (g/cm³) = 1.03527 Volume (L) = 1.23421 - Viscosity (mPa s) = 0.16044 + Viscosity (mPa s) = 0.16171 Activity of water = 0.953 Ionic strength (mol/kgw) = 4.804e+00 Mass of water (kg) = 9.995e-01 @@ -8570,10 +8570,10 @@ Syngenite -0.71 -9.25 -8.54 0.000e+00 0 0.000e+00 pH = 7.154 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 962980 + Specific Conductance (µS/cm, 200°C) = 962438 Density (g/cm³) = 1.04287 Volume (L) = 1.24201 - Viscosity (mPa s) = 0.16668 + Viscosity (mPa s) = 0.16773 Activity of water = 0.950 Ionic strength (mol/kgw) = 5.106e+00 Mass of water (kg) = 9.995e-01 @@ -8666,10 +8666,10 @@ Syngenite -0.68 -9.22 -8.54 0.000e+00 0 0.000e+00 pH = 7.174 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 999436 + Specific Conductance (µS/cm, 200°C) = 999008 Density (g/cm³) = 1.05016 Volume (L) = 1.25007 - Viscosity (mPa s) = 0.17303 + Viscosity (mPa s) = 0.17387 Activity of water = 0.948 Ionic strength (mol/kgw) = 5.409e+00 Mass of water (kg) = 9.995e-01 @@ -8762,10 +8762,10 @@ Syngenite -0.65 -9.19 -8.54 0.000e+00 0 0.000e+00 pH = 7.193 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1034077 + Specific Conductance (µS/cm, 200°C) = 1033769 Density (g/cm³) = 1.05715 Volume (L) = 1.25838 - Viscosity (mPa s) = 0.17952 + Viscosity (mPa s) = 0.18012 Activity of water = 0.945 Ionic strength (mol/kgw) = 5.712e+00 Mass of water (kg) = 9.995e-01 @@ -8858,10 +8858,10 @@ Syngenite -0.63 -9.17 -8.54 0.000e+00 0 0.000e+00 pH = 7.212 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1066951 + Specific Conductance (µS/cm, 200°C) = 1066766 Density (g/cm³) = 1.06385 Volume (L) = 1.26693 - Viscosity (mPa s) = 0.18612 + Viscosity (mPa s) = 0.18648 Activity of water = 0.943 Ionic strength (mol/kgw) = 6.014e+00 Mass of water (kg) = 9.995e-01 @@ -8954,10 +8954,10 @@ Syngenite -0.62 -9.16 -8.54 0.000e+00 0 0.000e+00 pH = 7.221 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1080539 + Specific Conductance (µS/cm, 200°C) = 1080407 Density (g/cm³) = 1.06664 Volume (L) = 1.27067 - Viscosity (mPa s) = 0.18899 + Viscosity (mPa s) = 0.18925 Activity of water = 0.942 Ionic strength (mol/kgw) = 6.144e+00 Mass of water (kg) = 9.995e-01 @@ -9050,10 +9050,10 @@ Syngenite -0.62 -9.16 -8.54 0.000e+00 0 0.000e+00 pH = 7.221 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1080539 + Specific Conductance (µS/cm, 200°C) = 1080407 Density (g/cm³) = 1.06664 Volume (L) = 1.27067 - Viscosity (mPa s) = 0.18899 + Viscosity (mPa s) = 0.18925 Activity of water = 0.942 Ionic strength (mol/kgw) = 6.144e+00 Mass of water (kg) = 9.995e-01 diff --git a/mytest/anhy_K2SO4_101.sel b/mytest/anhy_K2SO4_101.sel index 9500bfb9a..44796da83 100644 --- a/mytest/anhy_K2SO4_101.sel +++ b/mytest/anhy_K2SO4_101.sel @@ -1,96 +1,96 @@ Mu SC - 0.000000760968 0.7572688502 - 0.021066197926 3371.1976714225 - 0.021206496464 3416.2368018889 - 0.029137408162 5490.0739242657 - 0.039626574359 7861.7084668288 - 0.051045770080 10304.8762092357 - 0.062835760039 12745.9258994322 - 0.074795353205 15163.7450320208 - 0.196112185064 37947.9761877891 - 0.317670353710 59073.3265178048 - 0.439163306830 79207.0464436830 - 0.541026223755 95541.4257029193 - 0.593495931049 103852.6453724968 - 0.893371156002 149606.4924745856 - 1.193863478483 193111.8959676100 - 1.494588331217 234787.5430160467 - 1.795407229117 274871.6488004880 - 2.068888115254 310057.4958039524 - 2.068888115254 310057.4958039944 - 2.348304931882 345107.4874682383 - 2.644529262521 381009.3752232080 - 2.941799859135 415822.8167542506 - 3.239788331634 449563.1047506630 - 3.538290963978 482251.0011141860 - 3.837175211308 513909.1443642710 - 4.017457778090 532501.7595151720 - 4.017457778090 532501.7595151770 - 4.017457778090 532501.7595151770 - 4.017457778090 532501.7595151770 - 4.017457778090 532501.7595151769 - 4.017457778090 532501.7595151768 - 4.017457778090 532501.7595151768 - 4.017457778090 532501.7595151768 - 0.005758081175 1440.1230257287 - 0.015500917379 4767.0139066180 - 0.027331165892 8344.8167647390 - 0.039392746505 11825.7694500328 - 0.051507099133 15211.3892004882 - 0.063635253838 18517.0848432587 - 0.184799274189 48995.5299416469 - 0.305758751839 76991.5599537914 - 0.426642254884 103631.7955632313 - 0.547491327617 129332.4017485509 - 0.668322213934 154304.7883598542 - 0.970364562766 214269.0962813374 - 1.272394744469 271431.5627565986 - 1.574433555191 326276.2692367447 - 1.788853306303 363971.8118315602 - 2.090280507595 415369.3272851473 - 2.391692178277 464966.4093591284 - 2.693087486186 512854.9626511069 - 2.994467315619 559106.2781688740 - 3.295833680043 603778.6048145085 - 3.597189392141 646921.6082655523 - 3.839415082869 680521.3125040000 - 3.859632583706 683292.9951392438 - 4.158053022151 723440.7853005240 - 4.456826009285 762229.8773253593 - 4.755891116898 799684.5433570985 - 5.055203037220 835829.8851140072 - 5.141345352040 845988.7634586825 - 5.141345356183 845988.7633720839 - 5.141345356183 845988.7633720792 - 5.141345356183 845988.7633720792 - 0.001726501249 570.4490826244 - 0.012837595102 4870.9030333146 - 0.024864162001 9053.2635656168 - 0.036924438833 13021.9490678668 - 0.048990550076 16822.0099049622 - 0.061057056457 20471.0446874385 - 0.181657692927 65290.0809658379 - 0.302206819497 91871.4033150679 - 0.422755915205 122581.6704892315 - 0.543319337126 152570.9133620093 - 0.663901842026 181835.7238537520 - 0.965450799890 252296.5069293792 - 1.267135322521 319480.2728838766 - 1.568953281982 383792.9400517885 - 1.870900926380 445457.2165587992 - 2.084995028611 487644.1349867936 - 2.386902204176 545052.3237230452 - 2.688848274597 600102.9263724621 - 2.990834787367 652867.0265313224 - 3.292864950524 703407.1723296545 - 3.594943569179 751780.6993367365 - 3.897076980358 798041.6630551913 - 4.199273000850 842242.0073272169 - 4.501540896916 884432.2916698416 - 4.803891380988 924662.1520153639 - 5.106336638458 962980.5932561083 - 5.408890386608 999436.1714928463 - 5.711567967371 1034077.1015587411 - 6.014386478360 1066951.3128509514 - 6.144484700352 1080539.2314590313 - 6.144484700352 1080539.2314590176 + 0.000000760968 0.7572688296 + 0.021066197926 3371.1046627663 + 0.021206496464 3416.1434895026 + 0.029137408162 5489.9595709788 + 0.039626574359 7861.5582803681 + 0.051045770080 10304.6803143659 + 0.062835760039 12745.6768207402 + 0.074795353205 15163.4364471200 + 0.196112185064 37946.8136335717 + 0.317670353710 59070.9723874245 + 0.439163306830 79203.2879960481 + 0.541026223755 95536.3954881329 + 0.593495931049 103846.9764654679 + 0.893371156002 149597.2595617567 + 1.193863478483 193099.8620467101 + 1.494588331217 234774.1814631820 + 1.795407229117 274858.9846114751 + 2.068888115254 310047.5835720701 + 2.068888115254 310047.5835721121 + 2.348304931882 345102.7695225587 + 2.644529262521 381012.8724068298 + 2.941799859135 415837.5560050185 + 3.239788331634 449592.2656686852 + 3.538290963978 482297.8602274160 + 3.837175211308 513977.0293363172 + 4.017457778090 532583.9307505466 + 4.017457778090 532583.9307505516 + 4.017457778090 532583.9307505516 + 4.017457778090 532583.9307505515 + 4.017457778090 532583.9307505515 + 4.017457778090 532583.9307505514 + 4.017457778090 532583.9307505514 + 4.017457778090 532583.9307505514 + 0.005758081175 1440.0921291970 + 0.015500917379 4766.9318142836 + 0.027331165892 8344.6386395582 + 0.039392746505 11825.4592831586 + 0.051507099133 15210.9148337340 + 0.063635253838 18516.4167538396 + 0.184799274189 48991.6223946421 + 0.305758751839 76982.6284150210 + 0.426642254884 103616.5834725558 + 0.547491327617 129310.0211895538 + 0.668322213934 154274.6423692337 + 0.970364562766 214218.4240829666 + 1.272394744469 271360.9874594334 + 1.574433555191 326188.5025782923 + 1.788853306303 363874.4013837451 + 2.090280507595 415262.8431528230 + 2.391692178277 464856.6202950806 + 2.693087486186 512748.1548936128 + 2.994467315619 559009.0342043403 + 3.295833680043 603697.6286091506 + 3.597189392141 646863.5880609024 + 3.839415082869 680486.5130567923 + 3.859632583706 683260.3282903468 + 4.158053022151 723442.8134929675 + 4.456826009285 762272.5170526216 + 4.755891116898 799773.4514849498 + 5.055203037220 835970.4181444572 + 5.141345352040 846145.0933128488 + 5.141345356183 846145.0932268307 + 5.141345356183 846145.0932268261 + 5.141345356183 846145.0932268261 + 0.001726501249 570.4794214207 + 0.012837595102 4871.3938594273 + 0.024864162001 9055.1223035417 + 0.036924438833 13026.3749988933 + 0.048990550076 16830.5783594578 + 0.061057056457 20485.8407072835 + 0.181657692927 63700.9913698622 + 0.302206819497 91483.4052136869 + 0.422755915205 122176.6341528273 + 0.543319337126 152111.3524676722 + 0.663901842026 181313.3278861996 + 0.965450799890 251616.2562548626 + 1.267135322521 318660.6210976414 + 1.568953281982 382860.7367430929 + 1.870900926380 444441.6084125472 + 2.084995028611 486587.8318775467 + 2.386902204176 543962.8699589943 + 2.688848274597 599005.7179070398 + 2.990834787367 651784.9387032475 + 3.292864950524 702360.4578205036 + 3.594943569179 750787.0372908243 + 3.897076980358 797116.2944168771 + 4.199273000850 841397.9153190209 + 4.501540896916 883680.4015438001 + 4.803891380988 924011.5341024681 + 5.106336638458 962438.6597994431 + 5.408890386608 999008.8619449686 + 5.711567967371 1033769.0537114847 + 6.014386478360 1066766.0188522814 + 6.144484700352 1080407.4736343767 + 6.144484700352 1080407.4736343632 diff --git a/mytest/anhy_Na2SO4.out b/mytest/anhy_Na2SO4.out index f4a351a48..3f86a15f6 100644 --- a/mytest/anhy_Na2SO4.out +++ b/mytest/anhy_Na2SO4.out @@ -168,7 +168,7 @@ Glauberite Element not present. 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 3371 Density (g/cm³) = 0.95906 Volume (L) = 1.04343 - Viscosity (mPa s) = 0.28292 + Viscosity (mPa s) = 0.28294 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.107e-02 Mass of water (kg) = 1.000e+00 @@ -286,7 +286,7 @@ Thenardite -9.49 -10.21 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 3413 Density (g/cm³) = 0.95907 Volume (L) = 1.04343 - Viscosity (mPa s) = 0.28291 + Viscosity (mPa s) = 0.28293 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.121e-02 Mass of water (kg) = 1.000e+00 @@ -379,7 +379,7 @@ Thenardite -4.44 -5.16 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 14008 Density (g/cm³) = 0.96129 Volume (L) = 1.04375 - Viscosity (mPa s) = 0.28319 + Viscosity (mPa s) = 0.28320 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.455e-02 Mass of water (kg) = 1.000e+00 @@ -565,7 +565,7 @@ Thenardite -1.72 -2.44 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 161313 Density (g/cm³) = 1.00118 Volume (L) = 1.05067 - Viscosity (mPa s) = 0.28705 + Viscosity (mPa s) = 0.28706 Activity of water = 0.986 Ionic strength (mol/kgw) = 1.103e+00 Mass of water (kg) = 1.000e+00 @@ -658,7 +658,7 @@ Thenardite -1.40 -2.12 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 225659 Density (g/cm³) = 1.02025 Volume (L) = 1.05481 - Viscosity (mPa s) = 0.28820 + Viscosity (mPa s) = 0.28821 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.616e+00 Mass of water (kg) = 1.000e+00 @@ -937,7 +937,7 @@ Thenardite -0.85 -1.57 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 402210 Density (g/cm³) = 1.07476 Volume (L) = 1.06896 - Viscosity (mPa s) = 0.29090 + Viscosity (mPa s) = 0.29089 Activity of water = 0.964 Ionic strength (mol/kgw) = 3.154e+00 Mass of water (kg) = 1.000e+00 @@ -1123,7 +1123,7 @@ Thenardite -0.62 -1.34 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 509428 Density (g/cm³) = 1.10908 Volume (L) = 1.07955 - Viscosity (mPa s) = 0.29237 + Viscosity (mPa s) = 0.29236 Activity of water = 0.953 Ionic strength (mol/kgw) = 4.178e+00 Mass of water (kg) = 1.000e+00 @@ -1216,7 +1216,7 @@ Thenardite -0.57 -1.30 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 533663 Density (g/cm³) = 1.11696 Volume (L) = 1.08217 - Viscosity (mPa s) = 0.29269 + Viscosity (mPa s) = 0.29268 Activity of water = 0.950 Ionic strength (mol/kgw) = 4.419e+00 Mass of water (kg) = 1.000e+00 @@ -1309,7 +1309,7 @@ Thenardite -0.51 -1.23 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 568265 Density (g/cm³) = 1.12828 Volume (L) = 1.08607 - Viscosity (mPa s) = 0.29295 + Viscosity (mPa s) = 0.29294 Activity of water = 0.946 Ionic strength (mol/kgw) = 4.770e+00 Mass of water (kg) = 1.000e+00 @@ -1402,7 +1402,7 @@ Thenardite -0.42 -1.15 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 616345 Density (g/cm³) = 1.14417 Volume (L) = 1.09180 - Viscosity (mPa s) = 0.29334 + Viscosity (mPa s) = 0.29333 Activity of water = 0.941 Ionic strength (mol/kgw) = 5.272e+00 Mass of water (kg) = 1.000e+00 @@ -1495,7 +1495,7 @@ Thenardite -0.35 -1.07 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 663004 Density (g/cm³) = 1.15977 Volume (L) = 1.09771 - Viscosity (mPa s) = 0.29373 + Viscosity (mPa s) = 0.29372 Activity of water = 0.936 Ionic strength (mol/kgw) = 5.775e+00 Mass of water (kg) = 1.000e+00 @@ -1588,7 +1588,7 @@ Thenardite -0.28 -1.00 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 708237 Density (g/cm³) = 1.17506 Volume (L) = 1.10380 - Viscosity (mPa s) = 0.29413 + Viscosity (mPa s) = 0.29412 Activity of water = 0.930 Ionic strength (mol/kgw) = 6.280e+00 Mass of water (kg) = 1.000e+00 @@ -1681,7 +1681,7 @@ Thenardite -0.21 -0.94 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 752049 Density (g/cm³) = 1.19006 Volume (L) = 1.11004 - Viscosity (mPa s) = 0.29453 + Viscosity (mPa s) = 0.29451 Activity of water = 0.925 Ionic strength (mol/kgw) = 6.785e+00 Mass of water (kg) = 1.000e+00 @@ -1774,7 +1774,7 @@ Thenardite -0.15 -0.88 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 794453 Density (g/cm³) = 1.20474 Volume (L) = 1.11644 - Viscosity (mPa s) = 0.29492 + Viscosity (mPa s) = 0.29491 Activity of water = 0.920 Ionic strength (mol/kgw) = 7.292e+00 Mass of water (kg) = 1.000e+00 @@ -1867,7 +1867,7 @@ Thenardite -0.10 -0.83 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 835466 Density (g/cm³) = 1.21912 Volume (L) = 1.12299 - Viscosity (mPa s) = 0.29531 + Viscosity (mPa s) = 0.29530 Activity of water = 0.915 Ionic strength (mol/kgw) = 7.799e+00 Mass of water (kg) = 1.000e+00 @@ -1960,7 +1960,7 @@ Thenardite -0.05 -0.78 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 875107 Density (g/cm³) = 1.23319 Volume (L) = 1.12969 - Viscosity (mPa s) = 0.29570 + Viscosity (mPa s) = 0.29568 Activity of water = 0.910 Ionic strength (mol/kgw) = 8.307e+00 Mass of water (kg) = 1.000e+00 @@ -2053,7 +2053,7 @@ Thenardite -0.01 -0.73 -0.72 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 913396 Density (g/cm³) = 1.24696 Volume (L) = 1.13652 - Viscosity (mPa s) = 0.29608 + Viscosity (mPa s) = 0.29607 Activity of water = 0.905 Ionic strength (mol/kgw) = 8.815e+00 Mass of water (kg) = 1.000e+00 @@ -2146,7 +2146,7 @@ Thenardite 0.00 -0.72 -0.72 0.000e+00 1.375e-01 1.375e-01 Specific Conductance (µS/cm, 100°C) = 920558 Density (g/cm³) = 1.24955 Volume (L) = 1.13785 - Viscosity (mPa s) = 0.29616 + Viscosity (mPa s) = 0.29614 Activity of water = 0.904 Ionic strength (mol/kgw) = 8.913e+00 Mass of water (kg) = 1.000e+00 @@ -2239,7 +2239,7 @@ Thenardite 0.00 -0.72 -0.72 1.375e-01 3.075e-01 1.700e-01 Specific Conductance (µS/cm, 100°C) = 920558 Density (g/cm³) = 1.24955 Volume (L) = 1.13785 - Viscosity (mPa s) = 0.29616 + Viscosity (mPa s) = 0.29614 Activity of water = 0.904 Ionic strength (mol/kgw) = 8.913e+00 Mass of water (kg) = 1.000e+00 @@ -2332,7 +2332,7 @@ Thenardite 0.00 -0.72 -0.72 3.075e-01 4.775e-01 1.700e-01 Specific Conductance (µS/cm, 100°C) = 920558 Density (g/cm³) = 1.24955 Volume (L) = 1.13785 - Viscosity (mPa s) = 0.29616 + Viscosity (mPa s) = 0.29614 Activity of water = 0.904 Ionic strength (mol/kgw) = 8.913e+00 Mass of water (kg) = 1.000e+00 @@ -2425,7 +2425,7 @@ Thenardite 0.00 -0.72 -0.72 4.775e-01 6.475e-01 1.700e-01 Specific Conductance (µS/cm, 100°C) = 920558 Density (g/cm³) = 1.24955 Volume (L) = 1.13785 - Viscosity (mPa s) = 0.29616 + Viscosity (mPa s) = 0.29614 Activity of water = 0.904 Ionic strength (mol/kgw) = 8.913e+00 Mass of water (kg) = 1.000e+00 @@ -2518,7 +2518,7 @@ Thenardite 0.00 -0.72 -0.72 6.475e-01 8.175e-01 1.700e-01 Specific Conductance (µS/cm, 100°C) = 920558 Density (g/cm³) = 1.24955 Volume (L) = 1.13785 - Viscosity (mPa s) = 0.29616 + Viscosity (mPa s) = 0.29614 Activity of water = 0.904 Ionic strength (mol/kgw) = 8.913e+00 Mass of water (kg) = 1.000e+00 @@ -2611,7 +2611,7 @@ Thenardite 0.00 -0.72 -0.72 8.175e-01 9.875e-01 1.700e-01 Specific Conductance (µS/cm, 100°C) = 920558 Density (g/cm³) = 1.24955 Volume (L) = 1.13785 - Viscosity (mPa s) = 0.29616 + Viscosity (mPa s) = 0.29614 Activity of water = 0.904 Ionic strength (mol/kgw) = 8.913e+00 Mass of water (kg) = 1.000e+00 @@ -2723,7 +2723,7 @@ Thenardite -9.42 -10.58 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 1437 Density (g/cm³) = 0.91722 Volume (L) = 1.09047 - Viscosity (mPa s) = 0.18293 + Viscosity (mPa s) = 0.18294 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.758e-03 Mass of water (kg) = 1.000e+00 @@ -3293,7 +3293,7 @@ Thenardite -0.86 -2.03 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 481285 Density (g/cm³) = 1.01519 Volume (L) = 1.10733 - Viscosity (mPa s) = 0.18869 + Viscosity (mPa s) = 0.18870 Activity of water = 0.972 Ionic strength (mol/kgw) = 2.627e+00 Mass of water (kg) = 1.000e+00 @@ -3388,7 +3388,7 @@ Thenardite -0.73 -1.90 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 560943 Density (g/cm³) = 1.03250 Volume (L) = 1.11222 - Viscosity (mPa s) = 0.18929 + Viscosity (mPa s) = 0.18930 Activity of water = 0.967 Ionic strength (mol/kgw) = 3.139e+00 Mass of water (kg) = 1.000e+00 @@ -3483,7 +3483,7 @@ Thenardite -0.62 -1.79 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 637784 Density (g/cm³) = 1.04932 Volume (L) = 1.11748 - Viscosity (mPa s) = 0.18985 + Viscosity (mPa s) = 0.18986 Activity of water = 0.962 Ionic strength (mol/kgw) = 3.651e+00 Mass of water (kg) = 1.000e+00 @@ -3768,7 +3768,7 @@ Thenardite -0.43 -1.60 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 792764 Density (g/cm³) = 1.08356 Volume (L) = 1.12985 - Viscosity (mPa s) = 0.19082 + Viscosity (mPa s) = 0.19081 Activity of water = 0.952 Ionic strength (mol/kgw) = 4.741e+00 Mass of water (kg) = 1.000e+00 @@ -4148,7 +4148,7 @@ Thenardite -0.18 -1.35 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 1051056 Density (g/cm³) = 1.14189 Volume (L) = 1.15644 - Viscosity (mPa s) = 0.19232 + Viscosity (mPa s) = 0.19231 Activity of water = 0.933 Ionic strength (mol/kgw) = 6.773e+00 Mass of water (kg) = 1.000e+00 @@ -4338,7 +4338,7 @@ Thenardite -0.09 -1.26 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 1166296 Density (g/cm³) = 1.16857 Volume (L) = 1.17129 - Viscosity (mPa s) = 0.19300 + Viscosity (mPa s) = 0.19299 Activity of water = 0.925 Ionic strength (mol/kgw) = 7.791e+00 Mass of water (kg) = 1.000e+00 @@ -4433,7 +4433,7 @@ Thenardite -0.05 -1.22 -1.17 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 1220539 Density (g/cm³) = 1.18132 Volume (L) = 1.17907 - Viscosity (mPa s) = 0.19333 + Viscosity (mPa s) = 0.19332 Activity of water = 0.921 Ionic strength (mol/kgw) = 8.301e+00 Mass of water (kg) = 1.000e+00 @@ -4620,7 +4620,7 @@ Thenardite 0.00 -1.17 -1.17 0.000e+00 4.749e-02 4.749e-02 pH = 6.890 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1308726 + Specific Conductance (µS/cm, 150°C) = 1308727 Density (g/cm³) = 1.20234 Volume (L) = 1.19300 Viscosity (mPa s) = 0.19388 @@ -4715,7 +4715,7 @@ Thenardite 0.00 -1.17 -1.17 4.749e-02 2.175e-01 1.700e-01 pH = 6.890 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1308726 + Specific Conductance (µS/cm, 150°C) = 1308727 Density (g/cm³) = 1.20234 Volume (L) = 1.19300 Viscosity (mPa s) = 0.19388 @@ -4810,7 +4810,7 @@ Thenardite 0.00 -1.17 -1.17 2.175e-01 3.875e-01 1.700e-01 pH = 6.890 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1308726 + Specific Conductance (µS/cm, 150°C) = 1308727 Density (g/cm³) = 1.20234 Volume (L) = 1.19300 Viscosity (mPa s) = 0.19388 @@ -4905,7 +4905,7 @@ Thenardite 0.00 -1.17 -1.17 3.875e-01 5.575e-01 1.700e-01 pH = 6.890 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1308726 + Specific Conductance (µS/cm, 150°C) = 1308727 Density (g/cm³) = 1.20234 Volume (L) = 1.19300 Viscosity (mPa s) = 0.19388 @@ -5000,7 +5000,7 @@ Thenardite 0.00 -1.17 -1.17 5.575e-01 7.275e-01 1.700e-01 pH = 6.890 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1308726 + Specific Conductance (µS/cm, 150°C) = 1308727 Density (g/cm³) = 1.20234 Volume (L) = 1.19300 Viscosity (mPa s) = 0.19388 @@ -5095,7 +5095,7 @@ Thenardite 0.00 -1.17 -1.17 7.275e-01 8.975e-01 1.700e-01 pH = 6.890 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1308726 + Specific Conductance (µS/cm, 150°C) = 1308727 Density (g/cm³) = 1.20234 Volume (L) = 1.19300 Viscosity (mPa s) = 0.19388 @@ -5211,7 +5211,7 @@ Thenardite -9.17 -10.96 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 568 Density (g/cm³) = 0.86474 Volume (L) = 1.15649 - Viscosity (mPa s) = 0.13503 + Viscosity (mPa s) = 0.13502 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.727e-03 Mass of water (kg) = 1.000e+00 @@ -5306,7 +5306,7 @@ Thenardite -3.60 -5.40 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 20101 Density (g/cm³) = 0.86747 Volume (L) = 1.15610 - Viscosity (mPa s) = 0.13576 + Viscosity (mPa s) = 0.13575 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.104e-02 Mass of water (kg) = 1.000e+00 @@ -5401,7 +5401,7 @@ Thenardite -1.69 -3.49 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 149049 Density (g/cm³) = 0.88912 Volume (L) = 1.15519 - Viscosity (mPa s) = 0.13669 + Viscosity (mPa s) = 0.13671 Activity of water = 0.993 Ionic strength (mol/kgw) = 5.732e-01 Mass of water (kg) = 1.000e+00 @@ -5496,7 +5496,7 @@ Thenardite -1.24 -3.04 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 263183 Density (g/cm³) = 0.90904 Volume (L) = 1.15652 - Viscosity (mPa s) = 0.13766 + Viscosity (mPa s) = 0.13767 Activity of water = 0.988 Ionic strength (mol/kgw) = 1.085e+00 Mass of water (kg) = 1.000e+00 @@ -5591,7 +5591,7 @@ Thenardite -0.99 -2.79 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 371004 Density (g/cm³) = 0.92774 Volume (L) = 1.15932 - Viscosity (mPa s) = 0.13840 + Viscosity (mPa s) = 0.13842 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.598e+00 Mass of water (kg) = 1.000e+00 @@ -5686,7 +5686,7 @@ Thenardite -0.81 -2.61 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 474035 Density (g/cm³) = 0.94537 Volume (L) = 1.16333 - Viscosity (mPa s) = 0.13904 + Viscosity (mPa s) = 0.13905 Activity of water = 0.979 Ionic strength (mol/kgw) = 2.110e+00 Mass of water (kg) = 1.000e+00 @@ -5781,7 +5781,7 @@ Thenardite -0.68 -2.48 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 572762 Density (g/cm³) = 0.96203 Volume (L) = 1.16838 - Viscosity (mPa s) = 0.13961 + Viscosity (mPa s) = 0.13963 Activity of water = 0.975 Ionic strength (mol/kgw) = 2.623e+00 Mass of water (kg) = 1.000e+00 @@ -5876,7 +5876,7 @@ Thenardite -0.57 -2.37 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 667353 Density (g/cm³) = 0.97778 Volume (L) = 1.17435 - Viscosity (mPa s) = 0.14014 + Viscosity (mPa s) = 0.14016 Activity of water = 0.971 Ionic strength (mol/kgw) = 3.135e+00 Mass of water (kg) = 1.000e+00 @@ -5971,7 +5971,7 @@ Thenardite -0.48 -2.29 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 751600 Density (g/cm³) = 0.99164 Volume (L) = 1.18066 - Viscosity (mPa s) = 0.14061 + Viscosity (mPa s) = 0.14062 Activity of water = 0.967 Ionic strength (mol/kgw) = 3.612e+00 Mass of water (kg) = 1.000e+00 @@ -6066,7 +6066,7 @@ Thenardite -0.46 -2.27 -1.80 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 770384 Density (g/cm³) = 0.99471 Volume (L) = 1.18220 - Viscosity (mPa s) = 0.14071 + Viscosity (mPa s) = 0.14072 Activity of water = 0.966 Ionic strength (mol/kgw) = 3.721e+00 Mass of water (kg) = 1.000e+00 @@ -6161,7 +6161,7 @@ Thenardite -0.39 -2.19 -1.81 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 855658 Density (g/cm³) = 1.00855 Volume (L) = 1.18987 - Viscosity (mPa s) = 0.14116 + Viscosity (mPa s) = 0.14117 Activity of water = 0.962 Ionic strength (mol/kgw) = 4.230e+00 Mass of water (kg) = 1.000e+00 @@ -6256,7 +6256,7 @@ Thenardite -0.32 -2.13 -1.81 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 936919 Density (g/cm³) = 1.02160 Volume (L) = 1.19826 - Viscosity (mPa s) = 0.14158 + Viscosity (mPa s) = 0.14159 Activity of water = 0.958 Ionic strength (mol/kgw) = 4.739e+00 Mass of water (kg) = 1.000e+00 @@ -6541,7 +6541,7 @@ Thenardite -0.16 -1.97 -1.81 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 1156615 Density (g/cm³) = 1.05634 Volume (L) = 1.22739 - Viscosity (mPa s) = 0.14270 + Viscosity (mPa s) = 0.14271 Activity of water = 0.947 Ionic strength (mol/kgw) = 6.267e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/anhy_Na2SO4_101.sel b/mytest/anhy_Na2SO4_101.sel index 2824a1687..fa207db99 100644 --- a/mytest/anhy_Na2SO4_101.sel +++ b/mytest/anhy_Na2SO4_101.sel @@ -1,81 +1,81 @@ Mu SC - 0.000000760968 0.7572688502 - 0.021067757026 3371.4252299693 - 0.021206291003 3413.0983845699 - 0.074545733512 14008.8911391433 - 0.588971979766 92569.6385266960 - 1.102789488078 161313.8823082653 - 1.616068441032 225659.8848992626 - 2.128955852800 286918.3222392922 - 2.641526850416 345663.6345387257 - 3.153834541645 402210.2533564914 - 3.665923625866 456754.1046050309 - 4.177834445827 509428.7436446187 - 4.419332598912 533663.4632845434 - 4.770025068619 568265.3890178009 - 5.271540759831 616345.7436381398 - 5.774918919269 663004.7534673038 - 6.279675624414 708237.4052067604 - 6.785480642289 752049.6141536711 - 7.292101312748 794453.8285020653 - 7.799369594149 835466.6123130170 - 8.307161824861 875107.2504002440 - 8.815385816207 913396.9050386571 - 8.912503261514 920558.6848623625 - 8.912503261517 920558.6848623164 - 8.912503261517 920558.6848623161 - 8.912503261517 920558.6848623166 - 8.912503261517 920558.6848623166 - 8.912503261517 920558.6848623162 - 0.005758175667 1437.2678230264 - 0.063568709640 17444.9289397392 - 0.577000201903 126669.6240050875 - 1.089688561114 222474.7758795403 - 1.602178868231 312565.2769921265 - 2.114527201554 398608.1655175784 - 2.626751899304 481285.0775561915 - 3.138866960195 560943.3415362568 - 3.650888497394 637784.0997976947 - 3.902025887056 674487.9904906952 - 4.235087829960 722257.5657445600 - 4.741446601699 792764.5552323378 - 5.248573679965 860876.8144393789 - 5.756290437088 926614.1970242899 - 6.264477370957 989999.1421983256 - 6.773051632555 1051056.2629206018 - 7.281954691793 1109812.3321416595 - 7.791145229523 1166296.3465785852 - 8.300594908292 1220539.5647087551 - 8.810285844057 1272575.4948110627 - 9.177741953138 1308726.9712481324 - 9.177741954316 1308726.9712229907 - 9.177741954316 1308726.9712229907 - 9.177741954316 1308726.9712229907 - 9.177741954316 1308726.9712229902 - 9.177741954316 1308726.9712229907 - 0.001726534594 568.5372164370 - 0.061042082511 20101.6708173264 - 0.573175760907 149049.2709681947 - 1.085353878177 263183.3119305907 - 1.597702066919 371004.4239025025 - 2.110176528243 474035.7171397979 - 2.622737684462 572762.6298214770 - 3.135359491317 667353.3189523998 - 3.611821183185 751600.4079050753 - 3.720759931125 770384.5212784801 - 4.229577780120 855658.1622580590 - 4.738668925660 936919.7040183689 - 5.248009520714 1014161.1553703679 - 5.757593608867 1087386.9490460793 - 6.267425705399 1156615.5085449787 - 6.777518166809 1221879.7070079478 - 7.287890907453 1283226.5901210881 - 7.798572451216 1340716.6271571687 - 8.309601965036 1394422.6755061853 - 8.821032170062 1444428.7796380310 - 9.167082378171 1476189.5657095788 - 9.167082378172 1476189.5657095278 - 9.167082378172 1476189.5657095271 - 9.167082378172 1476189.5657095276 - 9.167082378172 1476189.5657095271 - 9.167082378172 1476189.5657095273 + 0.000000760968 0.7572688296 + 0.021067757026 3371.3322079498 + 0.021206291003 3413.0059939128 + 0.074545733512 14008.8347459796 + 0.588971979766 92569.5824047789 + 1.102789488078 161313.8301363128 + 1.616068441032 225659.8443575489 + 2.128955852800 286918.3003911200 + 2.641526850416 345663.6376408136 + 3.153834541645 402210.2868651666 + 3.665923625866 456754.1732889781 + 4.177834445827 509428.8517637134 + 4.419332598912 533663.5913976497 + 4.770025068619 568265.5066666913 + 5.271540759831 616345.8468157996 + 5.774918919269 663004.8438471887 + 6.279675624414 708237.4848080191 + 6.785480642289 752049.6849223110 + 7.292101312748 794453.8921732162 + 7.799369594149 835466.6703884526 + 8.307161824861 875107.3041713656 + 8.815385816207 913396.9556253380 + 8.912503261514 920558.7349567456 + 8.912503261517 920558.7349566994 + 8.912503261517 920558.7349566992 + 8.912503261517 920558.7349566998 + 8.912503261517 920558.7349566998 + 8.912503261517 920558.7349566994 + 0.005758175667 1437.2383059491 + 0.063568709640 17444.9155207776 + 0.577000201903 126669.5933000040 + 1.089688561114 222474.7328405767 + 1.602178868231 312565.2258636201 + 2.114527201554 398608.1113029235 + 2.626751899304 481285.0256902463 + 3.138866960195 560943.2975863188 + 3.650888497394 637784.0692872719 + 3.902025887056 674487.9685620409 + 4.235087829960 722257.5577788538 + 4.741446601699 792764.5605468136 + 5.248573679965 860876.8273961828 + 5.756290437088 926614.2144871873 + 6.264477370957 989999.1624310972 + 6.773051632555 1051056.2850070421 + 7.281954691793 1109812.3556692221 + 7.791145229523 1166296.3714643565 + 8.300594908292 1220539.5911073899 + 8.810285844057 1272575.5230738819 + 9.177741953138 1308727.0011793161 + 9.177741954316 1308727.0011541746 + 9.177741954316 1308727.0011541746 + 9.177741954316 1308727.0011541743 + 9.177741954316 1308727.0011541739 + 9.177741954316 1308727.0011541743 + 0.001726534594 568.5625157374 + 0.061042082511 20101.6878611428 + 0.573175760907 149049.2213278977 + 1.085353878177 263183.2324481496 + 1.597702066919 371004.3096619706 + 2.110176528243 474035.5692957067 + 2.622737684462 572762.4533966988 + 3.135359491317 667353.1216854169 + 3.611821183185 751600.1998041451 + 3.720759931125 770384.3285929274 + 4.229577780120 855658.0264495804 + 4.738668925660 936919.6075270898 + 5.248009520714 1014161.0870165259 + 5.757593608867 1087386.9015204692 + 6.267425705399 1156615.4770534346 + 6.777518166809 1221879.6884971403 + 7.287890907453 1283226.5828330074 + 7.798572451216 1340716.6303943298 + 8.309601965036 1394422.6895550101 + 8.821032170062 1444428.8058368755 + 9.167082378171 1476189.6015150391 + 9.167082378172 1476189.6015149881 + 9.167082378172 1476189.6015149874 + 9.167082378172 1476189.6015149876 + 9.167082378172 1476189.6015149872 + 9.167082378172 1476189.6015149876 diff --git a/mytest/anhy_NaCl.out b/mytest/anhy_NaCl.out index b34182b64..48facdd1b 100644 --- a/mytest/anhy_NaCl.out +++ b/mytest/anhy_NaCl.out @@ -154,7 +154,7 @@ Halite Element not present. 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 3371 Density (g/cm³) = 0.95906 Volume (L) = 1.04343 - Viscosity (mPa s) = 0.28292 + Viscosity (mPa s) = 0.28294 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.107e-02 Mass of water (kg) = 1.000e+00 @@ -240,7 +240,7 @@ Halite -11.72 -10.14 1.58 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 3375 Density (g/cm³) = 0.95906 Volume (L) = 1.04343 - Viscosity (mPa s) = 0.28295 + Viscosity (mPa s) = 0.28296 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.108e-02 Mass of water (kg) = 1.000e+00 @@ -1947,7 +1947,7 @@ Halite -0.38 1.20 1.58 0.000e+00 0 0.000e+00 pH = 5.895 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 918456 + Specific Conductance (µS/cm, 100°C) = 918455 Density (g/cm³) = 1.12598 Volume (L) = 1.15102 Viscosity (mPa s) = 0.29016 @@ -2327,7 +2327,7 @@ Halite 0.00 1.58 1.58 0.000e+00 2.822e-01 2.822e-01 pH = 5.759 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1136326 + Specific Conductance (µS/cm, 100°C) = 1136325 Density (g/cm³) = 1.17192 Volume (L) = 1.19123 Viscosity (mPa s) = 0.29085 @@ -2422,7 +2422,7 @@ Halite 0.00 1.58 1.58 2.822e-01 7.822e-01 5.000e-01 pH = 5.759 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1136326 + Specific Conductance (µS/cm, 100°C) = 1136325 Density (g/cm³) = 1.17192 Volume (L) = 1.19123 Viscosity (mPa s) = 0.29085 @@ -2517,7 +2517,7 @@ Halite 0.00 1.58 1.58 7.822e-01 1.282e+00 5.000e-01 pH = 5.759 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1136326 + Specific Conductance (µS/cm, 100°C) = 1136325 Density (g/cm³) = 1.17192 Volume (L) = 1.19123 Viscosity (mPa s) = 0.29085 @@ -2612,7 +2612,7 @@ Halite 0.00 1.58 1.58 1.282e+00 1.782e+00 5.000e-01 pH = 5.759 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1136326 + Specific Conductance (µS/cm, 100°C) = 1136325 Density (g/cm³) = 1.17192 Volume (L) = 1.19123 Viscosity (mPa s) = 0.29085 @@ -2707,7 +2707,7 @@ Halite 0.00 1.58 1.58 1.782e+00 2.282e+00 5.000e-01 pH = 5.759 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1136326 + Specific Conductance (µS/cm, 100°C) = 1136325 Density (g/cm³) = 1.17192 Volume (L) = 1.19123 Viscosity (mPa s) = 0.29085 @@ -2825,7 +2825,7 @@ Halite Element not present. 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 1377 Density (g/cm³) = 0.91721 Volume (L) = 1.09047 - Viscosity (mPa s) = 0.18293 + Viscosity (mPa s) = 0.18294 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.627e-03 Mass of water (kg) = 1.000e+00 @@ -2914,7 +2914,7 @@ Halite -11.54 -10.10 1.44 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 1383 Density (g/cm³) = 0.91721 Volume (L) = 1.09047 - Viscosity (mPa s) = 0.18300 + Viscosity (mPa s) = 0.18301 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.640e-03 Mass of water (kg) = 1.000e+00 @@ -3502,7 +3502,7 @@ Halite -3.22 -1.78 1.44 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 150°C) = 75751 Density (g/cm³) = 0.92622 Volume (L) = 1.09311 - Viscosity (mPa s) = 0.18395 + Viscosity (mPa s) = 0.18396 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.228e-01 Mass of water (kg) = 1.000e+00 @@ -4087,7 +4087,7 @@ Halite -1.36 0.09 1.44 0.000e+00 0 0.000e+00 pH = 5.932 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 595115 + Specific Conductance (µS/cm, 150°C) = 595114 Density (g/cm³) = 0.99478 Volume (L) = 1.12507 Viscosity (mPa s) = 0.18662 @@ -4479,7 +4479,7 @@ Halite -0.67 0.77 1.44 0.000e+00 0 0.000e+00 pH = 5.800 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1066764 + Specific Conductance (µS/cm, 150°C) = 1066763 Density (g/cm³) = 1.05937 Volume (L) = 1.16721 Viscosity (mPa s) = 0.18799 @@ -5067,7 +5067,7 @@ Halite -0.04 1.40 1.44 0.000e+00 0 0.000e+00 pH = 5.574 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1624241 + Specific Conductance (µS/cm, 150°C) = 1624240 Density (g/cm³) = 1.14112 Volume (L) = 1.23728 Viscosity (mPa s) = 0.18935 @@ -5165,7 +5165,7 @@ Halite -0.00 1.44 1.44 0.000e+00 2.618e-01 2.618e-01 pH = 5.554 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1661820 + Specific Conductance (µS/cm, 150°C) = 1661819 Density (g/cm³) = 1.14697 Volume (L) = 1.24310 Viscosity (mPa s) = 0.18945 @@ -5263,7 +5263,7 @@ Halite 0.00 1.44 1.44 2.618e-01 7.618e-01 5.000e-01 pH = 5.554 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1661820 + Specific Conductance (µS/cm, 150°C) = 1661819 Density (g/cm³) = 1.14697 Volume (L) = 1.24310 Viscosity (mPa s) = 0.18945 @@ -5361,7 +5361,7 @@ Halite 0.00 1.44 1.44 7.618e-01 1.262e+00 5.000e-01 pH = 5.554 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1661820 + Specific Conductance (µS/cm, 150°C) = 1661819 Density (g/cm³) = 1.14697 Volume (L) = 1.24310 Viscosity (mPa s) = 0.18945 @@ -5459,7 +5459,7 @@ Halite 0.00 1.44 1.44 1.262e+00 1.762e+00 5.000e-01 pH = 5.554 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1661820 + Specific Conductance (µS/cm, 150°C) = 1661819 Density (g/cm³) = 1.14697 Volume (L) = 1.24310 Viscosity (mPa s) = 0.18945 @@ -5578,7 +5578,7 @@ Halite Element not present. 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 496 Density (g/cm³) = 0.86473 Volume (L) = 1.15649 - Viscosity (mPa s) = 0.13507 + Viscosity (mPa s) = 0.13506 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.596e-03 Mass of water (kg) = 1.000e+00 @@ -5667,7 +5667,7 @@ Halite -11.26 -10.06 1.20 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 200°C) = 503 Density (g/cm³) = 0.86474 Volume (L) = 1.15649 - Viscosity (mPa s) = 0.13492 + Viscosity (mPa s) = 0.13491 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.607e-03 Mass of water (kg) = 1.000e+00 @@ -6840,7 +6840,7 @@ Halite -1.29 -0.10 1.20 0.000e+00 0 0.000e+00 pH = 5.908 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 712037 + Specific Conductance (µS/cm, 200°C) = 712036 Density (g/cm³) = 0.94975 Volume (L) = 1.17772 Viscosity (mPa s) = 0.13776 @@ -6938,7 +6938,7 @@ Halite -1.10 0.09 1.19 0.000e+00 0 0.000e+00 pH = 5.882 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 868476 + Specific Conductance (µS/cm, 200°C) = 868475 Density (g/cm³) = 0.96784 Volume (L) = 1.18611 Viscosity (mPa s) = 0.13814 @@ -7036,7 +7036,7 @@ Halite -0.94 0.26 1.19 0.000e+00 0 0.000e+00 pH = 5.854 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1018153 + Specific Conductance (µS/cm, 200°C) = 1018152 Density (g/cm³) = 0.98500 Volume (L) = 1.19529 Viscosity (mPa s) = 0.13847 @@ -7134,7 +7134,7 @@ Halite -0.80 0.40 1.19 0.000e+00 0 0.000e+00 pH = 5.825 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1161119 + Specific Conductance (µS/cm, 200°C) = 1161118 Density (g/cm³) = 1.00129 Volume (L) = 1.20516 Viscosity (mPa s) = 0.13877 @@ -7232,7 +7232,7 @@ Halite -0.67 0.52 1.19 0.000e+00 0 0.000e+00 pH = 5.794 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1297421 + Specific Conductance (µS/cm, 200°C) = 1297420 Density (g/cm³) = 1.01677 Volume (L) = 1.21565 Viscosity (mPa s) = 0.13904 @@ -7330,7 +7330,7 @@ Halite -0.56 0.64 1.19 0.000e+00 0 0.000e+00 pH = 5.762 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1427119 + Specific Conductance (µS/cm, 200°C) = 1427118 Density (g/cm³) = 1.03149 Volume (L) = 1.22672 Viscosity (mPa s) = 0.13929 @@ -7526,7 +7526,7 @@ Halite -0.36 0.83 1.19 0.000e+00 0 0.000e+00 pH = 5.691 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1667024 + Specific Conductance (µS/cm, 200°C) = 1667023 Density (g/cm³) = 1.05880 Volume (L) = 1.25043 Viscosity (mPa s) = 0.13976 @@ -7624,7 +7624,7 @@ Halite -0.27 0.92 1.19 0.000e+00 0 0.000e+00 pH = 5.652 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1777433 + Specific Conductance (µS/cm, 200°C) = 1777432 Density (g/cm³) = 1.07146 Volume (L) = 1.26300 Viscosity (mPa s) = 0.13998 @@ -7722,7 +7722,7 @@ Halite -0.19 1.00 1.19 0.000e+00 0 0.000e+00 pH = 5.612 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1881642 + Specific Conductance (µS/cm, 200°C) = 1881641 Density (g/cm³) = 1.08349 Volume (L) = 1.27601 Viscosity (mPa s) = 0.14019 @@ -7820,7 +7820,7 @@ Halite -0.12 1.08 1.19 0.000e+00 0 0.000e+00 pH = 5.570 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 1979785 + Specific Conductance (µS/cm, 200°C) = 1979784 Density (g/cm³) = 1.09493 Volume (L) = 1.28945 Viscosity (mPa s) = 0.14041 @@ -7918,7 +7918,7 @@ Halite -0.05 1.14 1.19 0.000e+00 0 0.000e+00 pH = 5.526 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2072009 + Specific Conductance (µS/cm, 200°C) = 2072007 Density (g/cm³) = 1.10580 Volume (L) = 1.30330 Viscosity (mPa s) = 0.14062 @@ -8016,7 +8016,7 @@ Halite -0.00 1.19 1.19 0.000e+00 1.114e-01 1.114e-01 pH = 5.490 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2139695 + Specific Conductance (µS/cm, 200°C) = 2139694 Density (g/cm³) = 1.11386 Volume (L) = 1.31433 Viscosity (mPa s) = 0.14079 @@ -8114,7 +8114,7 @@ Halite -0.00 1.19 1.19 1.114e-01 6.114e-01 5.000e-01 pH = 5.490 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2139695 + Specific Conductance (µS/cm, 200°C) = 2139694 Density (g/cm³) = 1.11386 Volume (L) = 1.31433 Viscosity (mPa s) = 0.14079 @@ -8212,7 +8212,7 @@ Halite -0.00 1.19 1.19 6.114e-01 1.111e+00 5.000e-01 pH = 5.490 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 2139695 + Specific Conductance (µS/cm, 200°C) = 2139694 Density (g/cm³) = 1.11386 Volume (L) = 1.31433 Viscosity (mPa s) = 0.14079 @@ -8328,10 +8328,10 @@ Halite Element not present. 0.000e+00 0 0.000e+00 pH = 6.083 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 9959 + Specific Conductance (µS/cm, 100°C) = 9957 Density (g/cm³) = 1.00217 Volume (L) = 1.00023 - Viscosity (mPa s) = 0.31100 + Viscosity (mPa s) = 0.31110 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.073e-02 Mass of water (kg) = 1.000e+00 @@ -8420,7 +8420,7 @@ Halite -11.87 -10.19 1.68 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 100°C) = 9959 Density (g/cm³) = 1.00217 Volume (L) = 1.00023 - Viscosity (mPa s) = 0.31122 + Viscosity (mPa s) = 0.31125 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.074e-02 Mass of water (kg) = 1.000e+00 @@ -10279,7 +10279,7 @@ Halite -0.29 1.34 1.64 0.000e+00 0 0.000e+00 pH = 5.712 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 929122 + Specific Conductance (µS/cm, 100°C) = 929121 Density (g/cm³) = 1.17507 Volume (L) = 1.12898 Viscosity (mPa s) = 0.31846 diff --git a/mytest/anhy_NaCl_101.sel b/mytest/anhy_NaCl_101.sel index b1b942cf1..0c847e083 100644 --- a/mytest/anhy_NaCl_101.sel +++ b/mytest/anhy_NaCl_101.sel @@ -1,114 +1,114 @@ Mu SC - 0.000000760968 0.7572688502 - 0.021066197926 3371.1976714225 - 0.021079915657 3375.1818213110 - 0.046754595869 10275.8617330381 - 0.070837678379 16416.3219611457 - 0.094223855814 22254.0417713081 - 0.117187225924 27898.6221918876 - 0.139856071100 33401.9072771053 - 0.250608060286 59573.0900760712 - 0.465864896634 108257.4964162530 - 0.677119619720 154211.2599602437 - 0.886045128671 198334.0661931620 - 1.093324739678 241016.9715783069 - 1.606397127556 342658.9517354007 - 2.114211822520 438288.9581954388 - 2.618319130511 528772.3676450690 - 3.119759996615 614642.1548212016 - 3.619309118946 696277.1882757536 - 4.117559395198 773970.5659273071 - 4.614965295100 847962.0919268657 - 5.111872438549 918456.0342812716 - 5.608540674995 985631.7499082818 - 6.105162886256 1049650.4074053997 - 6.601880384601 1110659.3847752118 - 6.818283375318 1136326.0170426716 - 6.818283375318 1136326.0170426713 - 6.818283375318 1136326.0170426716 - 6.818283375318 1136326.0170426713 - 6.818283375318 1136326.0170426716 - 0.005626864751 1377.9529563016 - 0.005639592041 1383.4430377211 - 0.029096139215 10391.3717926295 - 0.051404896763 18451.4151612977 - 0.073318172536 26148.1352846205 - 0.095001519863 33611.6325232966 - 0.116527397209 40904.3448576471 - 0.222791137218 75751.8308272066 - 0.432072701207 141129.8877557731 - 0.639296056408 203352.3713892162 - 0.845323667917 263475.4160775976 - 1.050499901060 321939.1431884776 - 1.560724200371 462156.8734887732 - 2.068038354669 595115.0055555066 - 2.573171709643 721631.5908269663 - 3.076641826781 842192.5560224127 - 3.578863812831 957144.6824719294 - 4.080179479481 1066764.0232403250 - 4.580869731585 1171285.7776420671 - 5.081163513300 1270919.3490849594 - 5.581246404092 1365856.7276287512 - 6.081268834113 1456277.4318155982 - 6.581353802843 1542351.4985230940 - 7.081603922784 1624241.2761198753 - 7.319961630355 1661820.3658052983 - 7.319961630377 1661820.3658049586 - 7.319961630377 1661820.3658049579 - 7.319961630377 1661820.3658049586 - 0.001595721023 496.3720243461 - 0.001607470236 503.2151473215 - 0.023376518161 10563.6459426635 - 0.044579454996 19708.2725172347 - 0.065621035664 28490.6388475523 - 0.086568307369 37039.4205296513 - 0.107450033937 45417.9483714548 - 0.211275413023 85730.4997791866 - 0.417490819223 162290.3870821907 - 0.622761761355 236011.6223313834 - 0.827463134583 307879.9200565531 - 1.031741480267 378269.3269192149 - 1.540987677480 548736.9775222345 - 2.048522023161 712037.1399882601 - 2.554626269146 868476.1019291388 - 3.059541681636 1018153.3986917748 - 3.563502140549 1161119.3523935289 - 4.066731385181 1297421.4278290737 - 4.569436932978 1427119.2172804426 - 5.071806960025 1550288.9411260388 - 5.574010491839 1667024.0140539019 - 6.076200049082 1777433.9726633411 - 6.578515912257 1881642.6375679341 - 7.081091469458 1979785.8644233984 - 7.584059436301 2072009.0295270709 - 7.975339961520 2139695.8806933174 - 7.975339961524 2139695.8806931865 - 7.975339961524 2139695.8806931879 - 0.070728066170 9959.0216989873 - 0.070742318517 9959.9357444429 - 0.098057873058 16954.7295942282 - 0.123877635924 23158.9867959322 - 0.148838027376 29023.3380434433 - 0.173220452316 34669.2467913297 - 0.197177793460 40154.2134058134 - 0.313016359384 66024.3122120584 - 0.534719635302 113419.2494380562 - 0.749858347777 157471.5279193324 - 0.961169179735 199254.2417285195 - 1.169807554634 239736.8224042218 - 1.683320854052 335758.9427981449 - 2.188945940075 425400.0887230059 - 2.689396013503 509690.7738498284 - 3.186409959412 589267.5919312026 - 3.681207813046 664578.7825655406 - 4.174669096515 735965.6633632177 - 4.667429217913 803702.5503317264 - 5.159942867829 868024.1610822834 - 5.652529979897 929122.0628682821 - 6.145410448884 987171.8964872642 - 6.638730721710 1042333.4923979662 - 6.994228791971 1080341.9449647884 - 6.994228791972 1080341.9449647875 - 6.994228791972 1080341.9449647872 - 6.994228791972 1080341.9449647870 - 6.994228791972 1080341.9449647872 + 0.000000760968 0.7572688296 + 0.021066197926 3371.1046627663 + 0.021079915657 3375.1645718244 + 0.046754595869 10275.8614774853 + 0.070837678379 16416.3215236052 + 0.094223855814 22254.0411285358 + 0.117187225924 27898.6213268919 + 0.139856071100 33401.9061758452 + 0.250608060286 59573.0876366806 + 0.465864896634 108257.4908090442 + 0.677119619720 154211.2508260380 + 0.886045128671 198334.0533564683 + 1.093324739678 241016.9549715515 + 1.606397127556 342658.9258204903 + 2.114211822520 438288.9235620464 + 2.618319130511 528772.3251115397 + 3.119759996615 614642.1052426071 + 3.619309118946 696277.1324450705 + 4.117559395198 773970.5045252920 + 4.614965295100 847962.0254985993 + 5.111872438549 918455.9632271553 + 5.608540674995 985631.6744823310 + 6.105162886256 1049650.3277164877 + 6.601880384601 1110659.3007885427 + 6.818283375318 1136325.9311368139 + 6.818283375318 1136325.9311368137 + 6.818283375318 1136325.9311368139 + 6.818283375318 1136325.9311368137 + 6.818283375318 1136325.9311368139 + 0.005626864751 1377.9225907375 + 0.005639592041 1383.4319772953 + 0.029096139215 10391.3710866226 + 0.051404896763 18451.4137797744 + 0.073318172536 26148.1331444462 + 0.095001519863 33611.6295601825 + 0.116527397209 40904.3410180518 + 0.222791137218 75751.8220059209 + 0.432072701207 141129.8670767613 + 0.639296056408 203352.3374315014 + 0.845323667917 263475.3681019131 + 1.050499901060 321939.0808552271 + 1.560724200371 462156.7752980650 + 2.068038354669 595114.8730994652 + 2.573171709643 721631.4264933754 + 3.076641826781 842192.3622613230 + 3.578863812831 957144.4614086710 + 4.080179479481 1066763.7764681990 + 4.580869731585 1171285.5061100316 + 5.081163513300 1270919.0530315884 + 5.581246404092 1365856.4065328022 + 6.081268834113 1456277.0843435354 + 6.581353802843 1542351.1224593853 + 7.081603922784 1624240.8682682104 + 7.319961630355 1661819.9413704711 + 7.319961630377 1661819.9413701312 + 7.319961630377 1661819.9413701307 + 7.319961630377 1661819.9413701310 + 0.001595721023 496.4002785504 + 0.001607470236 503.2297944194 + 0.023376518161 10563.6458525748 + 0.044579454996 19708.2718924507 + 0.065621035664 28490.6380944725 + 0.086568307369 37039.4210408397 + 0.107450033937 45417.9561661772 + 0.211275413023 85730.4720497461 + 0.417490819223 162290.3338737139 + 0.622761761355 236011.5365529230 + 0.827463134583 307879.7989718301 + 1.031741480267 378269.1690919947 + 1.540987677480 548736.7259881221 + 2.048522023161 712036.7964818403 + 2.554626269146 868475.6704479645 + 3.059541681636 1018152.8834055484 + 3.563502140549 1161118.7564981736 + 4.066731385181 1297420.7528802147 + 4.569436932978 1427118.4627681721 + 5.071806960025 1550288.1041491439 + 5.574010491839 1667023.0890001794 + 6.076200049082 1777432.9508269492 + 6.578515912257 1881641.5066441030 + 7.081091469458 1979784.6078192799 + 7.584059436301 2072007.6254163298 + 7.975339961520 2139694.3427448897 + 7.975339961524 2139694.3427447602 + 7.975339961524 2139694.3427447611 + 0.070728066170 9957.6686853694 + 0.070742318517 9959.5795432352 + 0.098057873058 16954.7284539625 + 0.123877635924 23158.9854340754 + 0.148838027376 29023.3363620848 + 0.173220452316 34669.2447553238 + 0.197177793460 40154.2109940716 + 0.313016359384 66024.3077376120 + 0.534719635302 113419.2403693032 + 0.749858347777 157471.5140052617 + 0.961169179735 199254.2229319946 + 1.169807554634 239736.7987245458 + 1.683320854052 335758.9074747908 + 2.188945940075 425400.0430243666 + 2.689396013503 509690.7191864221 + 3.186409959412 589267.5296464673 + 3.681207813046 664578.7138423442 + 4.174669096515 735965.5891871288 + 4.667429217913 803702.4714828255 + 5.159942867829 868024.0781407722 + 5.652529979897 929121.9762258598 + 6.145410448884 987171.8063597751 + 6.638730721710 1042333.3988367610 + 6.994228791971 1080341.8488754781 + 6.994228791972 1080341.8488754770 + 6.994228791972 1080341.8488754770 + 6.994228791972 1080341.8488754770 + 6.994228791972 1080341.8488754770 diff --git a/mytest/aquia.out b/mytest/aquia.out index bf0b02137..53194f342 100644 --- a/mytest/aquia.out +++ b/mytest/aquia.out @@ -82,7 +82,7 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. Specific Conductance (µS/cm, 15°C) = 220 Density (g/cm³) = 0.99929 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.13996 + Viscosity (mPa s) = 1.14025 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.299e-03 Mass of water (kg) = 1.000e+00 @@ -128,7 +128,6 @@ K 5.000e-05 Na 1.000e-04 Na+ 9.984e-05 9.320e-05 -4.001 -4.031 -0.030 -2.04 NaHCO3 1.564e-07 1.567e-07 -6.806 -6.805 0.001 31.82 - NaOH 1.569e-21 1.571e-21 -20.804 -20.804 0.000 (0) O(0) 1.180e-27 O2 5.899e-28 5.905e-28 -27.229 -27.229 0.000 29.51 @@ -193,7 +192,7 @@ Initial solution 1. Specific Conductance (µS/cm, 15°C) = 220 Density (g/cm³) = 0.99929 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.13996 + Viscosity (mPa s) = 1.14025 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.299e-03 Mass of water (kg) = 1.000e+00 @@ -239,7 +238,6 @@ K 5.000e-05 Na 1.000e-04 Na+ 9.984e-05 9.320e-05 -4.001 -4.031 -0.030 -2.04 NaHCO3 1.564e-07 1.567e-07 -6.806 -6.805 0.001 31.82 - NaOH 1.569e-21 1.571e-21 -20.804 -20.804 0.000 (0) O(0) 1.180e-27 O2 5.899e-28 5.905e-28 -27.229 -27.229 0.000 29.51 @@ -288,11 +286,11 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 2.030e-07 ----------------------------Description of solution---------------------------- pH = 7.569 Charge balance - pe = 10.992 Adjusted to redox equilibrium + pe = 10.993 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 220 Density (g/cm³) = 0.99929 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.13996 + Viscosity (mPa s) = 1.14025 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.298e-03 Mass of water (kg) = 1.000e+00 @@ -314,7 +312,7 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 2.030e-07 H+ 2.871e-08 2.695e-08 -7.542 -7.569 -0.028 0.00 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.03 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.456 -126.456 0.000 34.53 + CH4 0.000e+00 0.000e+00 -126.459 -126.458 0.000 34.53 C(4) 2.972e-03 HCO3- 2.772e-03 2.590e-03 -2.557 -2.587 -0.029 23.60 CO2 1.830e-04 1.831e-04 -3.738 -3.737 0.000 33.93 @@ -333,16 +331,15 @@ Cl 1.000e-04 Cl- 1.000e-04 9.323e-05 -4.000 -4.030 -0.030 17.71 HCl 9.170e-13 9.208e-13 -12.038 -12.036 0.002 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.229 -40.229 0.000 28.62 + H2 0.000e+00 0.000e+00 -40.230 -40.230 0.000 28.62 K 5.000e-05 K+ 4.995e-05 4.656e-05 -4.301 -4.332 -0.031 8.66 KHCO3 4.553e-08 4.554e-08 -7.342 -7.342 0.000 40.95 Na 1.000e-04 Na+ 9.984e-05 9.320e-05 -4.001 -4.031 -0.030 -2.04 NaHCO3 1.564e-07 1.567e-07 -6.806 -6.805 0.001 31.82 - NaOH 1.567e-21 1.569e-21 -20.805 -20.804 0.000 (0) -O(0) 1.095e-15 - O2 5.474e-16 5.480e-16 -15.262 -15.261 0.000 29.51 +O(0) 1.098e-15 + O2 5.488e-16 5.493e-16 -15.261 -15.260 0.000 29.51 ------------------------------Saturation indices------------------------------- @@ -408,10 +405,10 @@ Initial solution 4. pH = 6.800 pe = 8.000 - Specific Conductance (µS/cm, 15°C) = 9307 + Specific Conductance (µS/cm, 15°C) = 9301 Density (g/cm³) = 1.00440 Volume (L) = 1.00286 - Viscosity (mPa s) = 1.16621 + Viscosity (mPa s) = 1.16730 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.303e-01 Mass of water (kg) = 1.000e+00 @@ -470,7 +467,6 @@ Na 8.738e-02 Na+ 8.686e-02 6.718e-02 -1.061 -1.173 -0.112 -1.62 NaHCO3 4.567e-04 4.849e-04 -3.340 -3.314 0.026 31.82 NaSO4- 6.654e-05 5.167e-05 -4.177 -4.287 -0.110 -5.43 - NaOH 1.859e-19 1.916e-19 -18.731 -18.718 0.013 (0) O(0) 9.461e-31 O2 4.731e-31 4.875e-31 -30.325 -30.312 0.013 29.51 S(6) 2.670e-04 @@ -539,11 +535,11 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 1.303e-04 ----------------------------Description of solution---------------------------- pH = 6.781 Charge balance - pe = -1.315 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 9295 + pe = -1.314 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 15°C) = 9288 Density (g/cm³) = 1.00439 Volume (L) = 1.00287 - Viscosity (mPa s) = 1.16597 + Viscosity (mPa s) = 1.16708 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.299e-01 Mass of water (kg) = 1.000e+00 @@ -564,8 +560,8 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 1.303e-04 H+ 2.028e-07 1.657e-07 -6.693 -6.781 -0.088 0.00 OH- 3.662e-08 2.727e-08 -7.436 -7.564 -0.128 -4.20 H2O 5.551e+01 9.962e-01 1.744 -0.002 0.000 18.03 -C(-4) 5.227e-21 - CH4 5.227e-21 5.385e-21 -20.282 -20.269 0.013 34.53 +C(-4) 5.187e-21 + CH4 5.187e-21 5.344e-21 -20.285 -20.272 0.013 34.53 C(4) 1.990e-02 HCO3- 1.411e-02 1.094e-02 -1.851 -1.961 -0.111 24.00 CO2 4.678e-03 4.772e-03 -2.330 -2.321 0.009 33.93 @@ -587,8 +583,8 @@ Ca 4.249e-03 Cl 1.018e-01 Cl- 1.018e-01 7.646e-02 -0.992 -1.117 -0.124 17.96 HCl 4.089e-09 4.644e-09 -8.388 -8.333 0.055 (0) -H(0) 1.782e-14 - H2 8.911e-15 9.182e-15 -14.050 -14.037 0.013 28.62 +H(0) 1.779e-14 + H2 8.894e-15 9.164e-15 -14.051 -14.038 0.013 28.62 K 1.904e-03 K+ 1.897e-03 1.419e-03 -2.722 -2.848 -0.126 8.89 KHCO3 5.844e-06 5.861e-06 -5.233 -5.232 0.001 40.95 @@ -604,14 +600,13 @@ Na 8.738e-02 Na+ 8.686e-02 6.720e-02 -1.061 -1.173 -0.111 -1.62 NaHCO3 4.494e-04 4.771e-04 -3.347 -3.321 0.026 31.82 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 - NaOH 1.779e-19 1.833e-19 -18.750 -18.737 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.661 -67.648 0.013 29.51 -S(-2) 8.202e-20 - H2S 4.862e-20 5.010e-20 -19.313 -19.300 0.013 33.43 - HS- 3.340e-20 2.487e-20 -19.476 -19.604 -0.128 20.31 - S-2 2.546e-26 8.925e-27 -25.594 -26.049 -0.455 (0) - (H2S)2 0.000e+00 1.009e-40 -40.009 -39.996 0.013 30.48 + O2 0.000e+00 0.000e+00 -67.660 -67.647 0.013 29.51 +S(-2) 8.140e-20 + H2S 4.825e-20 4.972e-20 -19.317 -19.304 0.013 33.43 + HS- 3.315e-20 2.468e-20 -19.480 -19.608 -0.128 20.31 + S-2 2.526e-26 8.857e-27 -25.597 -26.053 -0.455 (0) + (H2S)2 0.000e+00 0.000e+00 -40.016 -40.003 0.013 30.48 S(6) 2.670e-04 SO4-2 1.505e-04 5.214e-05 -3.822 -4.283 -0.460 24.09 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 @@ -630,19 +625,19 @@ S(6) 2.670e-04 Aragonite -0.14 -8.42 -8.28 CaCO3 Arcanite -7.95 -9.98 -2.02 K2SO4 Calcite 0.00 -8.42 -8.42 CaCO3 - CH4(g) -17.57 -20.27 -2.70 CH4 + CH4(g) -17.58 -20.27 -2.70 CH4 CO2(g) -0.98 -2.32 -1.34 CO2 Dolomite 0.46 -16.48 -16.94 CaMg(CO3)2 Epsomite -4.94 -6.74 -1.80 MgSO4:7H2O Gypsum -2.51 -7.10 -4.59 CaSO4:2H2O - H2(g) -10.96 -14.04 -3.07 H2 + H2(g) -10.97 -14.04 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -18.43 -26.38 -7.96 H2S + H2S(g) -18.43 -26.39 -7.96 H2S Halite -3.85 -2.29 1.56 NaCl Hexahydrite -5.16 -6.74 -1.58 MgSO4:6H2O Kieserite -5.48 -6.73 -1.25 MgSO4:H2O Mirabilite -4.94 -6.64 -1.71 Na2SO4:10H2O - O2(g) -64.84 -67.65 -2.81 O2 + O2(g) -64.83 -67.65 -2.81 O2 Sulfur -13.49 -8.37 5.12 S Sylvite -4.81 -3.96 0.85 KCl Thenardite -6.38 -6.63 -0.25 Na2SO4 @@ -743,11 +738,11 @@ Mixture 13. ----------------------------Description of solution---------------------------- pH = 6.781 Charge balance - pe = -1.315 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 9295 + pe = -1.314 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 15°C) = 9288 Density (g/cm³) = 1.00439 Volume (L) = 1.00287 - Viscosity (mPa s) = 1.16597 + Viscosity (mPa s) = 1.16708 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.299e-01 Mass of water (kg) = 1.000e+00 @@ -768,8 +763,8 @@ Mixture 13. H+ 2.028e-07 1.657e-07 -6.693 -6.781 -0.088 0.00 OH- 3.662e-08 2.727e-08 -7.436 -7.564 -0.128 -4.20 H2O 5.551e+01 9.962e-01 1.744 -0.002 0.000 18.03 -C(-4) 5.227e-21 - CH4 5.227e-21 5.385e-21 -20.282 -20.269 0.013 34.53 +C(-4) 5.187e-21 + CH4 5.187e-21 5.344e-21 -20.285 -20.272 0.013 34.53 C(4) 1.990e-02 HCO3- 1.411e-02 1.094e-02 -1.851 -1.961 -0.111 24.00 CO2 4.678e-03 4.772e-03 -2.330 -2.321 0.009 33.93 @@ -791,8 +786,8 @@ Ca 4.249e-03 Cl 1.018e-01 Cl- 1.018e-01 7.646e-02 -0.992 -1.117 -0.124 17.96 HCl 4.089e-09 4.644e-09 -8.388 -8.333 0.055 (0) -H(0) 1.782e-14 - H2 8.911e-15 9.182e-15 -14.050 -14.037 0.013 28.62 +H(0) 1.779e-14 + H2 8.894e-15 9.164e-15 -14.051 -14.038 0.013 28.62 K 1.904e-03 K+ 1.897e-03 1.419e-03 -2.722 -2.848 -0.126 8.89 KHCO3 5.844e-06 5.861e-06 -5.233 -5.232 0.001 40.95 @@ -808,14 +803,13 @@ Na 8.738e-02 Na+ 8.686e-02 6.720e-02 -1.061 -1.173 -0.111 -1.62 NaHCO3 4.494e-04 4.771e-04 -3.347 -3.321 0.026 31.82 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 - NaOH 1.779e-19 1.833e-19 -18.750 -18.737 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.661 -67.648 0.013 29.51 -S(-2) 8.202e-20 - H2S 4.862e-20 5.010e-20 -19.313 -19.300 0.013 33.43 - HS- 3.340e-20 2.487e-20 -19.476 -19.604 -0.128 20.31 - S-2 2.546e-26 8.925e-27 -25.594 -26.049 -0.455 (0) - (H2S)2 0.000e+00 1.009e-40 -40.009 -39.996 0.013 30.48 + O2 0.000e+00 0.000e+00 -67.660 -67.647 0.013 29.51 +S(-2) 8.140e-20 + H2S 4.825e-20 4.972e-20 -19.317 -19.304 0.013 33.43 + HS- 3.315e-20 2.468e-20 -19.480 -19.608 -0.128 20.31 + S-2 2.526e-26 8.857e-27 -25.597 -26.053 -0.455 (0) + (H2S)2 0.000e+00 0.000e+00 -40.016 -40.003 0.013 30.48 S(6) 2.670e-04 SO4-2 1.505e-04 5.214e-05 -3.822 -4.283 -0.460 24.09 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 @@ -834,19 +828,19 @@ S(6) 2.670e-04 Aragonite -0.14 -8.42 -8.28 CaCO3 Arcanite -7.95 -9.98 -2.02 K2SO4 Calcite -0.00 -8.42 -8.42 CaCO3 - CH4(g) -17.57 -20.27 -2.70 CH4 + CH4(g) -17.58 -20.27 -2.70 CH4 CO2(g) -0.98 -2.32 -1.34 CO2 Dolomite 0.46 -16.48 -16.94 CaMg(CO3)2 Epsomite -4.94 -6.74 -1.80 MgSO4:7H2O Gypsum -2.51 -7.10 -4.59 CaSO4:2H2O - H2(g) -10.96 -14.04 -3.07 H2 + H2(g) -10.97 -14.04 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -18.43 -26.38 -7.96 H2S + H2S(g) -18.43 -26.39 -7.96 H2S Halite -3.85 -2.29 1.56 NaCl Hexahydrite -5.16 -6.74 -1.58 MgSO4:6H2O Kieserite -5.48 -6.73 -1.25 MgSO4:H2O Mirabilite -4.94 -6.64 -1.71 Na2SO4:10H2O - O2(g) -64.84 -67.65 -2.81 O2 + O2(g) -64.83 -67.65 -2.81 O2 Sulfur -13.49 -8.37 5.12 S Sylvite -4.81 -3.96 0.85 KCl Thenardite -6.38 -6.63 -0.25 Na2SO4 diff --git a/mytest/aquia2.out b/mytest/aquia2.out index 06586e280..c5713f841 100644 --- a/mytest/aquia2.out +++ b/mytest/aquia2.out @@ -82,7 +82,7 @@ Initial solution 0. Specific Conductance (µS/cm, 15°C) = 220 Density (g/cm³) = 0.99929 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.13996 + Viscosity (mPa s) = 1.14025 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.299e-03 Mass of water (kg) = 1.000e+00 @@ -128,7 +128,6 @@ K 5.000e-05 Na 1.000e-04 Na+ 9.984e-05 9.320e-05 -4.001 -4.031 -0.030 -2.04 NaHCO3 1.564e-07 1.567e-07 -6.806 -6.805 0.001 31.82 - NaOH 1.569e-21 1.571e-21 -20.804 -20.804 0.000 (0) O(0) 1.180e-27 O2 5.899e-28 5.905e-28 -27.229 -27.229 0.000 29.51 @@ -193,7 +192,7 @@ Initial solution 1. Specific Conductance (µS/cm, 15°C) = 220 Density (g/cm³) = 0.99929 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.13996 + Viscosity (mPa s) = 1.14025 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.299e-03 Mass of water (kg) = 1.000e+00 @@ -239,7 +238,6 @@ K 5.000e-05 Na 1.000e-04 Na+ 9.984e-05 9.320e-05 -4.001 -4.031 -0.030 -2.04 NaHCO3 1.564e-07 1.567e-07 -6.806 -6.805 0.001 31.82 - NaOH 1.569e-21 1.571e-21 -20.804 -20.804 0.000 (0) O(0) 1.180e-27 O2 5.899e-28 5.905e-28 -27.229 -27.229 0.000 29.51 @@ -288,11 +286,11 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 2.030e-07 ----------------------------Description of solution---------------------------- pH = 7.569 Charge balance - pe = 10.992 Adjusted to redox equilibrium + pe = 10.993 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 220 Density (g/cm³) = 0.99929 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.13996 + Viscosity (mPa s) = 1.14025 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.298e-03 Mass of water (kg) = 1.000e+00 @@ -314,7 +312,7 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 2.030e-07 H+ 2.871e-08 2.695e-08 -7.542 -7.569 -0.028 0.00 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.03 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.456 -126.456 0.000 34.53 + CH4 0.000e+00 0.000e+00 -126.459 -126.458 0.000 34.53 C(4) 2.972e-03 HCO3- 2.772e-03 2.590e-03 -2.557 -2.587 -0.029 23.60 CO2 1.830e-04 1.831e-04 -3.738 -3.737 0.000 33.93 @@ -333,16 +331,15 @@ Cl 1.000e-04 Cl- 1.000e-04 9.323e-05 -4.000 -4.030 -0.030 17.71 HCl 9.170e-13 9.208e-13 -12.038 -12.036 0.002 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.229 -40.229 0.000 28.62 + H2 0.000e+00 0.000e+00 -40.230 -40.230 0.000 28.62 K 5.000e-05 K+ 4.995e-05 4.656e-05 -4.301 -4.332 -0.031 8.66 KHCO3 4.553e-08 4.554e-08 -7.342 -7.342 0.000 40.95 Na 1.000e-04 Na+ 9.984e-05 9.320e-05 -4.001 -4.031 -0.030 -2.04 NaHCO3 1.564e-07 1.567e-07 -6.806 -6.805 0.001 31.82 - NaOH 1.567e-21 1.569e-21 -20.805 -20.804 0.000 (0) -O(0) 1.095e-15 - O2 5.474e-16 5.480e-16 -15.262 -15.261 0.000 29.51 +O(0) 1.098e-15 + O2 5.488e-16 5.493e-16 -15.261 -15.260 0.000 29.51 ------------------------------Saturation indices------------------------------- @@ -408,10 +405,10 @@ Initial solution 4. pH = 6.800 pe = 8.000 - Specific Conductance (µS/cm, 15°C) = 9307 + Specific Conductance (µS/cm, 15°C) = 9301 Density (g/cm³) = 1.00440 Volume (L) = 1.00286 - Viscosity (mPa s) = 1.16621 + Viscosity (mPa s) = 1.16730 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.303e-01 Mass of water (kg) = 1.000e+00 @@ -470,7 +467,6 @@ Na 8.738e-02 Na+ 8.686e-02 6.718e-02 -1.061 -1.173 -0.112 -1.62 NaHCO3 4.567e-04 4.849e-04 -3.340 -3.314 0.026 31.82 NaSO4- 6.654e-05 5.167e-05 -4.177 -4.287 -0.110 -5.43 - NaOH 1.859e-19 1.916e-19 -18.731 -18.718 0.013 (0) O(0) 9.461e-31 O2 4.731e-31 4.875e-31 -30.325 -30.312 0.013 29.51 S(6) 2.670e-04 @@ -539,11 +535,11 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 1.303e-04 ----------------------------Description of solution---------------------------- pH = 6.781 Charge balance - pe = -1.315 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 9295 + pe = -1.314 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 15°C) = 9288 Density (g/cm³) = 1.00439 Volume (L) = 1.00287 - Viscosity (mPa s) = 1.16597 + Viscosity (mPa s) = 1.16708 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.299e-01 Mass of water (kg) = 1.000e+00 @@ -564,8 +560,8 @@ Calcite 0.00 -8.42 -8.42 1.000e+01 1.000e+01 1.303e-04 H+ 2.028e-07 1.657e-07 -6.693 -6.781 -0.088 0.00 OH- 3.662e-08 2.727e-08 -7.436 -7.564 -0.128 -4.20 H2O 5.551e+01 9.962e-01 1.744 -0.002 0.000 18.03 -C(-4) 5.227e-21 - CH4 5.227e-21 5.385e-21 -20.282 -20.269 0.013 34.53 +C(-4) 5.187e-21 + CH4 5.187e-21 5.344e-21 -20.285 -20.272 0.013 34.53 C(4) 1.990e-02 HCO3- 1.411e-02 1.094e-02 -1.851 -1.961 -0.111 24.00 CO2 4.678e-03 4.772e-03 -2.330 -2.321 0.009 33.93 @@ -587,8 +583,8 @@ Ca 4.249e-03 Cl 1.018e-01 Cl- 1.018e-01 7.646e-02 -0.992 -1.117 -0.124 17.96 HCl 4.089e-09 4.644e-09 -8.388 -8.333 0.055 (0) -H(0) 1.782e-14 - H2 8.911e-15 9.182e-15 -14.050 -14.037 0.013 28.62 +H(0) 1.779e-14 + H2 8.894e-15 9.164e-15 -14.051 -14.038 0.013 28.62 K 1.904e-03 K+ 1.897e-03 1.419e-03 -2.722 -2.848 -0.126 8.89 KHCO3 5.844e-06 5.861e-06 -5.233 -5.232 0.001 40.95 @@ -604,14 +600,13 @@ Na 8.738e-02 Na+ 8.686e-02 6.720e-02 -1.061 -1.173 -0.111 -1.62 NaHCO3 4.494e-04 4.771e-04 -3.347 -3.321 0.026 31.82 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 - NaOH 1.779e-19 1.833e-19 -18.750 -18.737 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.661 -67.648 0.013 29.51 -S(-2) 8.202e-20 - H2S 4.862e-20 5.010e-20 -19.313 -19.300 0.013 33.43 - HS- 3.340e-20 2.487e-20 -19.476 -19.604 -0.128 20.31 - S-2 2.546e-26 8.925e-27 -25.594 -26.049 -0.455 (0) - (H2S)2 0.000e+00 1.009e-40 -40.009 -39.996 0.013 30.48 + O2 0.000e+00 0.000e+00 -67.660 -67.647 0.013 29.51 +S(-2) 8.140e-20 + H2S 4.825e-20 4.972e-20 -19.317 -19.304 0.013 33.43 + HS- 3.315e-20 2.468e-20 -19.480 -19.608 -0.128 20.31 + S-2 2.526e-26 8.857e-27 -25.597 -26.053 -0.455 (0) + (H2S)2 0.000e+00 0.000e+00 -40.016 -40.003 0.013 30.48 S(6) 2.670e-04 SO4-2 1.505e-04 5.214e-05 -3.822 -4.283 -0.460 24.09 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 @@ -630,19 +625,19 @@ S(6) 2.670e-04 Aragonite -0.14 -8.42 -8.28 CaCO3 Arcanite -7.95 -9.98 -2.02 K2SO4 Calcite 0.00 -8.42 -8.42 CaCO3 - CH4(g) -17.57 -20.27 -2.70 CH4 + CH4(g) -17.58 -20.27 -2.70 CH4 CO2(g) -0.98 -2.32 -1.34 CO2 Dolomite 0.46 -16.48 -16.94 CaMg(CO3)2 Epsomite -4.94 -6.74 -1.80 MgSO4:7H2O Gypsum -2.51 -7.10 -4.59 CaSO4:2H2O - H2(g) -10.96 -14.04 -3.07 H2 + H2(g) -10.97 -14.04 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -18.43 -26.38 -7.96 H2S + H2S(g) -18.43 -26.39 -7.96 H2S Halite -3.85 -2.29 1.56 NaCl Hexahydrite -5.16 -6.74 -1.58 MgSO4:6H2O Kieserite -5.48 -6.73 -1.25 MgSO4:H2O Mirabilite -4.94 -6.64 -1.71 Na2SO4:10H2O - O2(g) -64.84 -67.65 -2.81 O2 + O2(g) -64.83 -67.65 -2.81 O2 Sulfur -13.49 -8.37 5.12 S Sylvite -4.81 -3.96 0.85 KCl Thenardite -6.38 -6.63 -0.25 Na2SO4 @@ -743,11 +738,11 @@ Mixture 13. ----------------------------Description of solution---------------------------- pH = 6.781 Charge balance - pe = -1.315 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 9295 + pe = -1.314 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 15°C) = 9288 Density (g/cm³) = 1.00439 Volume (L) = 1.00287 - Viscosity (mPa s) = 1.16597 + Viscosity (mPa s) = 1.16708 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.299e-01 Mass of water (kg) = 1.000e+00 @@ -768,8 +763,8 @@ Mixture 13. H+ 2.028e-07 1.657e-07 -6.693 -6.781 -0.088 0.00 OH- 3.662e-08 2.727e-08 -7.436 -7.564 -0.128 -4.20 H2O 5.551e+01 9.962e-01 1.744 -0.002 0.000 18.03 -C(-4) 5.227e-21 - CH4 5.227e-21 5.385e-21 -20.282 -20.269 0.013 34.53 +C(-4) 5.187e-21 + CH4 5.187e-21 5.344e-21 -20.285 -20.272 0.013 34.53 C(4) 1.990e-02 HCO3- 1.411e-02 1.094e-02 -1.851 -1.961 -0.111 24.00 CO2 4.678e-03 4.772e-03 -2.330 -2.321 0.009 33.93 @@ -791,8 +786,8 @@ Ca 4.249e-03 Cl 1.018e-01 Cl- 1.018e-01 7.646e-02 -0.992 -1.117 -0.124 17.96 HCl 4.089e-09 4.644e-09 -8.388 -8.333 0.055 (0) -H(0) 1.782e-14 - H2 8.911e-15 9.182e-15 -14.050 -14.037 0.013 28.62 +H(0) 1.779e-14 + H2 8.894e-15 9.164e-15 -14.051 -14.038 0.013 28.62 K 1.904e-03 K+ 1.897e-03 1.419e-03 -2.722 -2.848 -0.126 8.89 KHCO3 5.844e-06 5.861e-06 -5.233 -5.232 0.001 40.95 @@ -808,14 +803,13 @@ Na 8.738e-02 Na+ 8.686e-02 6.720e-02 -1.061 -1.173 -0.111 -1.62 NaHCO3 4.494e-04 4.771e-04 -3.347 -3.321 0.026 31.82 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 - NaOH 1.779e-19 1.833e-19 -18.750 -18.737 0.013 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.661 -67.648 0.013 29.51 -S(-2) 8.202e-20 - H2S 4.862e-20 5.010e-20 -19.313 -19.300 0.013 33.43 - HS- 3.340e-20 2.487e-20 -19.476 -19.604 -0.128 20.31 - S-2 2.546e-26 8.925e-27 -25.594 -26.049 -0.455 (0) - (H2S)2 0.000e+00 1.009e-40 -40.009 -39.996 0.013 30.48 + O2 0.000e+00 0.000e+00 -67.660 -67.647 0.013 29.51 +S(-2) 8.140e-20 + H2S 4.825e-20 4.972e-20 -19.317 -19.304 0.013 33.43 + HS- 3.315e-20 2.468e-20 -19.480 -19.608 -0.128 20.31 + S-2 2.526e-26 8.857e-27 -25.597 -26.053 -0.455 (0) + (H2S)2 0.000e+00 0.000e+00 -40.016 -40.003 0.013 30.48 S(6) 2.670e-04 SO4-2 1.505e-04 5.214e-05 -3.822 -4.283 -0.460 24.09 NaSO4- 6.666e-05 5.178e-05 -4.176 -4.286 -0.110 -5.45 @@ -834,19 +828,19 @@ S(6) 2.670e-04 Aragonite -0.14 -8.42 -8.28 CaCO3 Arcanite -7.95 -9.98 -2.02 K2SO4 Calcite -0.00 -8.42 -8.42 CaCO3 - CH4(g) -17.57 -20.27 -2.70 CH4 + CH4(g) -17.58 -20.27 -2.70 CH4 CO2(g) -0.98 -2.32 -1.34 CO2 Dolomite 0.46 -16.48 -16.94 CaMg(CO3)2 Epsomite -4.94 -6.74 -1.80 MgSO4:7H2O Gypsum -2.51 -7.10 -4.59 CaSO4:2H2O - H2(g) -10.96 -14.04 -3.07 H2 + H2(g) -10.97 -14.04 -3.07 H2 H2O(g) -1.77 -0.00 1.77 H2O - H2S(g) -18.43 -26.38 -7.96 H2S + H2S(g) -18.43 -26.39 -7.96 H2S Halite -3.85 -2.29 1.56 NaCl Hexahydrite -5.16 -6.74 -1.58 MgSO4:6H2O Kieserite -5.48 -6.73 -1.25 MgSO4:H2O Mirabilite -4.94 -6.64 -1.71 Na2SO4:10H2O - O2(g) -64.84 -67.65 -2.81 O2 + O2(g) -64.83 -67.65 -2.81 O2 Sulfur -13.49 -8.37 5.12 S Sylvite -4.81 -3.96 0.85 KCl Thenardite -6.38 -6.63 -0.25 Na2SO4 diff --git a/mytest/aquia2_101.sel b/mytest/aquia2_101.sel index 7802cd7c3..978463752 100644 --- a/mytest/aquia2_101.sel +++ b/mytest/aquia2_101.sel @@ -1,48 +1,48 @@ Mu SC - 0.004298990792 220.8645858940 - 0.004298990792 220.8645858940 - 0.004298402461 220.8359950608 - 0.130306809552 9307.4304745542 - 0.129948893330 9295.1361474398 - 0.129948893429 9295.1361470298 - 0.129948893429 9295.1361470143 - 0.004298402461 220.8359950608 - 0.004298402461 220.8359950608 - 0.004298402461 220.8359950608 - 0.129948893386 9295.1361513833 - 0.129948893354 9295.1361530746 - 0.129948893347 9295.1361530842 - 0.129948893346 9295.1361530543 - 0.129948893345 9295.1361530443 - 0.129948893345 9295.1361530416 - 0.129948893345 9295.1361530410 - 0.129948893345 9295.1361530408 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.004298402461 220.8359950617 - 0.004298402461 220.8359950617 - 0.004298402411 220.8359929362 - 0.004083262309 211.5531082626 - 0.003424562073 191.7840942357 - 0.002960882763 193.0740397209 - 0.003568524660 243.4954605787 - 0.004598034816 313.5644207590 - 0.005815661007 394.2856688275 - 0.007192068258 484.5020196383 - 0.008724802661 584.0255699880 - 0.010539931308 699.7161189726 - 0.013071237921 859.8176521253 - 0.016611266915 1085.2615067214 - 0.022127045188 1463.5028700510 - 0.032543840129 2260.1385916240 - 0.052732709498 3838.4359760500 - 0.083064946106 6086.6650982028 - 0.111824168324 8088.0524124128 - 0.126712961697 9082.7541763675 + 0.004298990792 220.8299916751 + 0.004298990792 220.8299916751 + 0.004298402461 220.8013718847 + 0.130306809552 9301.0390611789 + 0.129948893330 9288.6186187207 + 0.129948893429 9288.6186183135 + 0.129948893428 9288.6186182979 + 0.004298402461 220.8013718848 + 0.004298402461 220.8013718848 + 0.004298402461 220.8013718848 + 0.129948893386 9288.6186226543 + 0.129948893354 9288.6186243506 + 0.129948893347 9288.6186243654 + 0.129948893345 9288.6186243371 + 0.129948893345 9288.6186243275 + 0.129948893345 9288.6186243250 + 0.129948893345 9288.6186243243 + 0.129948893345 9288.6186243242 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.004298402461 220.8013718856 + 0.004298402461 220.8013718856 + 0.004298402411 220.8013697651 + 0.004083262345 211.5360498708 + 0.003424562087 191.7779047398 + 0.002960883698 193.0718129509 + 0.003568524774 243.4928927264 + 0.004598034910 313.5589571112 + 0.005815661101 394.2735805057 + 0.007192068328 484.4769568506 + 0.008724802775 583.9769566564 + 0.010539931388 699.6217516340 + 0.013071237920 859.6163495775 + 0.016611266788 1084.8104115810 + 0.022127044921 1462.4475252655 + 0.032543839733 2257.7744996223 + 0.052732709211 3834.3711862302 + 0.083064946002 6081.3355451045 + 0.111824168621 8081.9661717849 + 0.126712962566 9076.3168043299 diff --git a/mytest/aquia_101.sel b/mytest/aquia_101.sel index c20e7200f..c5cd73d22 100644 --- a/mytest/aquia_101.sel +++ b/mytest/aquia_101.sel @@ -1,48 +1,48 @@ Mu - 0.004298990792 220.8645858940 - 0.004298990792 220.8645858940 - 0.004298402461 220.8359950608 - 0.130306809552 9307.4304745542 - 0.129948893330 9295.1361474398 - 0.129948893429 9295.1361470298 - 0.129948893429 9295.1361470143 - 0.004298402461 220.8359950608 - 0.004298402461 220.8359950608 - 0.004298402461 220.8359950608 - 0.129948893386 9295.1361513833 - 0.129948893354 9295.1361530746 - 0.129948893347 9295.1361530842 - 0.129948893346 9295.1361530543 - 0.129948893345 9295.1361530443 - 0.129948893345 9295.1361530416 - 0.129948893345 9295.1361530410 - 0.129948893345 9295.1361530408 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.129948893345 9295.1361530407 - 0.004297364646 220.7725259317 - 0.004291615187 220.4124540353 - 0.004275340444 219.3913126247 - 0.004248647677 217.7325327808 - 0.004197777135 215.0749335659 - 0.004122777458 212.4314019065 - 0.004019047494 209.9424214802 - 0.003880664404 206.7369744635 - 0.003704802647 201.9936205844 - 0.003502488938 195.7146329674 - 0.003329768995 189.8805844992 - 0.003141748716 182.6994438167 - 0.002841134391 170.9466939735 - 0.002503551298 159.5080693250 - 0.002387434053 160.3235496624 - 0.002539649107 174.1961522904 - 0.002850117803 196.3327916750 - 0.003320415338 228.3107398908 - 0.004111351526 281.0665772795 - 0.006047235823 408.0694865474 + 0.004298990792 220.8299916751 + 0.004298990792 220.8299916751 + 0.004298402461 220.8013718847 + 0.130306809552 9301.0390611789 + 0.129948893330 9288.6186187207 + 0.129948893429 9288.6186183135 + 0.129948893428 9288.6186182979 + 0.004298402461 220.8013718848 + 0.004298402461 220.8013718848 + 0.004298402461 220.8013718848 + 0.129948893386 9288.6186226543 + 0.129948893354 9288.6186243506 + 0.129948893347 9288.6186243654 + 0.129948893345 9288.6186243371 + 0.129948893345 9288.6186243275 + 0.129948893345 9288.6186243250 + 0.129948893345 9288.6186243243 + 0.129948893345 9288.6186243242 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.129948893345 9288.6186243241 + 0.004297364646 220.7380634048 + 0.004291615187 220.3789013754 + 0.004275340443 219.3603171566 + 0.004248647677 217.7056212369 + 0.004197777134 215.0542938617 + 0.004122777457 212.4162222260 + 0.004019047491 209.9306063490 + 0.003880664398 206.7272654009 + 0.003704802637 201.9856600273 + 0.003502488918 195.7082896876 + 0.003329768968 189.8754178367 + 0.003141748678 182.6953716548 + 0.002841134338 170.9440456257 + 0.002503551249 159.5066722031 + 0.002387434039 160.3227075428 + 0.002539649117 174.1953547620 + 0.002850117821 196.3317343556 + 0.003320415359 228.3090040165 + 0.004111351552 281.0628868355 + 0.006047235823 408.0546382778 diff --git a/mytest/bad_graph b/mytest/bad_graph new file mode 100644 index 000000000..726005ca9 --- /dev/null +++ b/mytest/bad_graph @@ -0,0 +1,72 @@ +DATABASE ../database/llnl.dat +SELECTED_OUTPUT 101 + -file bad_graph_101.sel +USER_PUNCH 101 + -headings Mu SC + -start +10 PUNCH STR_F$(MU, 20, 12) +20 PUNCH STR_F$(SC, 20, 10) + -end +PRINT +-si false # turn back on if you need it +PHASES +Constant +NaCl = Na+ + Cl- +log_k 100 +END +SOLUTION 1 +END + +EQUILIBRIUM_PHASES 1-2 + Calcite 0 4316.249 + Constant 0 1 pre +END +EQUILIBRIUM_PHASES_MIX 1 +2 1e0 +END +USE solution 1 +USE equilibrium_phases 1 +USER_GRAPH 1 + -headings rxn Pyrochroite Fe(OH)2 Brucite Calcite Chalcedony + -axis_titles "Mass of DLS Brine, kg" "FINAL Assemblage" "" + -axis_scale x_axis auto auto auto auto log + -axis_scale y_axis auto auto auto auto log + -axis_scale sy_axis auto auto auto auto log + -initial_solutions false + -connect_simulations true + -plot_concentration_vs x + -start +10 f = 1/EQUI("Constant") +#20 GRAPH_X f +20 GRAPH_Y f * EQUI("Mn(OH)2(am)"), f * EQUI("Fe(OH)2"), f * EQUI("Brucite"), f *EQUI("Calcite"), f * EQUI("Chalcedony") + -end + -active true +USER_GRAPH 2 + -headings rxn Pyrochroite Fe(OH)2 Brucite Calcite Chalcedony + -axis_titles "Mass of DLS Brine, kg" "FINAL Assemblage" "" + -axis_scale x_axis auto auto auto auto log + -axis_scale y_axis auto auto auto auto log + -axis_scale sy_axis auto auto auto auto log + -initial_solutions false + -connect_simulations true + -plot_concentration_vs x + -start +10 f = 1/EQUI("Constant") +20 GRAPH_X f +#20 GRAPH_Y f * EQUI("Mn(OH)2(am)"), f * EQUI("Fe(OH)2"), f * EQUI("Brucite"), f *EQUI("Calcite"), f * EQUI("Chalcedony") + -end +USER_GRAPH 3 + -headings rxn Pyrochroite Fe(OH)2 Brucite Calcite Chalcedony + -axis_titles "Mass of DLS Brine, kg" "FINAL Assemblage" "" + -axis_scale x_axis auto auto auto auto log + -axis_scale y_axis auto auto auto auto log + -axis_scale sy_axis auto auto auto auto log + -initial_solutions false + -connect_simulations true + -plot_concentration_vs x + -start +10 f = 1/EQUI("Constant") +#20 GRAPH_X f +20 GRAPH_SY f * EQUI("Mn(OH)2(am)"), f * EQUI("Fe(OH)2"), f * EQUI("Brucite"), f *EQUI("Calcite"), f * EQUI("Chalcedony") + -end +END diff --git a/mytest/bad_graph.out b/mytest/bad_graph.out new file mode 100644 index 000000000..7d6e1459b --- /dev/null +++ b/mytest/bad_graph.out @@ -0,0 +1,244 @@ +WARNING: Database file from DATABASE keyword is used; command line argument ignored. + Input file: bad_graph + Output file: bad_graph.out +Database file: ../database/llnl.dat + +------------------ +Reading data base. +------------------ + + LLNL_AQUEOUS_MODEL_PARAMETERS + NAMED_EXPRESSIONS + SOLUTION_MASTER_SPECIES + SOLUTION_SPECIES + PHASES + EXCHANGE_MASTER_SPECIES + EXCHANGE_SPECIES + SURFACE_MASTER_SPECIES + SURFACE_SPECIES + RATES + END +------------------------------------ +Reading input data for simulation 1. +------------------------------------ + + DATABASE ../database/llnl.dat + SELECTED_OUTPUT 101 + file bad_graph_101.sel + USER_PUNCH 101 + headings Mu SC + start + 10 PUNCH STR_F$(MU, 20, 12) + 20 PUNCH STR_F$(SC, 20, 10) + end + PRINT + si false # turn back on if you need it + PHASES + Constant + NaCl = Na+ + Cl- + log_k 100 + END +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 2. +------------------------------------ + + SOLUTION 1 + END +------------------------------------------- +Beginning of initial solution calculations. +------------------------------------------- + +Initial solution 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 + pe = 4.000 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 9.823e-08 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -3.654e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = 3.654e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.86 + Iterations = 0 + Total H = 1.110507e+02 + Total O = 5.552533e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + OH- 9.640e-08 9.636e-08 -7.016 -7.016 -0.000 (0) + H2O 5.553e+01 1.000e+00 1.744 0.000 0.000 (0) +H(0) 1.587e-25 + H2 7.935e-26 7.935e-26 -25.100 -25.100 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -41.995 -41.995 0.000 (0) + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 3. +------------------------------------ + + EQUILIBRIUM_PHASES 1-2 + Calcite 0 4316.249 + Constant 0 1 pre + END +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 4. +------------------------------------ + + EQUILIBRIUM_PHASES_MIX 1 + 2 1e0 + END +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 5. +------------------------------------ + + USE solution 1 + USE equilibrium_phases 1 + USER_GRAPH 1 + -headings rxn Pyrochroite Fe(OH)2 Brucite Calcite Chalcedony + -axis_titles "Mass of DLS Brine, kg" "FINAL Assemblage" "" + -axis_scale x_axis auto auto auto auto log + -axis_scale y_axis auto auto auto auto log + -axis_scale sy_axis auto auto auto auto log + -initial_solutions false + -connect_simulations true + -plot_concentration_vs x + -start + 10 f = 1/EQUI("Constant") + 20 GRAPH_Y f * EQUI("Mn(OH)2(am)"), f * EQUI("Fe(OH)2"), f * EQUI("Brucite"), f *EQUI("Calcite"), f * EQUI("Chalcedony") + -end + -active true + USER_GRAPH 2 + -headings rxn Pyrochroite Fe(OH)2 Brucite Calcite Chalcedony + -axis_titles "Mass of DLS Brine, kg" "FINAL Assemblage" "" + -axis_scale x_axis auto auto auto auto log + -axis_scale y_axis auto auto auto auto log + -axis_scale sy_axis auto auto auto auto log + -initial_solutions false + -connect_simulations true + -plot_concentration_vs x + -start + 10 f = 1/EQUI("Constant") + 20 GRAPH_X f + -end + USER_GRAPH 3 + -headings rxn Pyrochroite Fe(OH)2 Brucite Calcite Chalcedony + -axis_titles "Mass of DLS Brine, kg" "FINAL Assemblage" "" + -axis_scale x_axis auto auto auto auto log + -axis_scale y_axis auto auto auto auto log + -axis_scale sy_axis auto auto auto auto log + -initial_solutions false + -connect_simulations true + -plot_concentration_vs x + -start + 10 f = 1/EQUI("Constant") + 20 GRAPH_SY f * EQUI("Mn(OH)2(am)"), f * EQUI("Fe(OH)2"), f * EQUI("Brucite"), f *EQUI("Calcite"), f * EQUI("Chalcedony") + -end + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Calcite -0.00 1.82 1.82 4.316e+03 4.316e+03 -1.193e-04 +Constant Element not present. 1.000e+00 1.000e+00 0.000e+00 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + C 1.193e-04 1.193e-04 + Ca 1.193e-04 1.193e-04 + +----------------------------Description of solution---------------------------- + + pH = 9.914 Charge balance + pe = -4.112 Adjusted to redox equilibrium + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.683e-04 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 2.386e-04 + Total CO2 (mol/kg) = 1.193e-04 + Temperature (°C) = 25.00 + Electrical balance (eq) = 3.654e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 15 + Total H = 1.110507e+02 + Total O = 5.552568e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 8.087e-05 7.910e-05 -4.092 -4.102 -0.010 (0) + H+ 1.244e-10 1.218e-10 -9.905 -9.914 -0.009 0.00 + H2O 5.553e+01 1.000e+00 1.744 -0.000 0.000 (0) +C(-2) 0.000e+00 + C2H4 0.000e+00 0.000e+00 -94.090 -94.090 0.000 (0) +C(-3) 0.000e+00 + C2H6 0.000e+00 0.000e+00 -58.361 -58.361 0.000 (0) +C(-4) 2.920e-33 + CH4 2.920e-33 2.920e-33 -32.535 -32.535 0.000 (0) +C(2) 5.050e-25 + CO 5.050e-25 5.050e-25 -24.297 -24.297 0.000 (0) +C(4) 1.193e-04 + HCO3- 8.085e-05 7.909e-05 -4.092 -4.102 -0.010 (0) + CO3-2 3.145e-05 2.881e-05 -4.502 -4.540 -0.038 (0) + CaCO3 6.867e-06 6.867e-06 -5.163 -5.163 0.000 (0) + CaHCO3+ 9.854e-08 9.639e-08 -7.006 -7.016 -0.010 (0) + CO2 2.234e-08 2.234e-08 -7.651 -7.651 0.000 (0) +Ca 1.193e-04 + Ca+2 1.122e-04 1.028e-04 -3.950 -3.988 -0.038 (0) + CaCO3 6.867e-06 6.867e-06 -5.163 -5.163 0.000 (0) + CaOH+ 1.219e-07 1.193e-07 -6.914 -6.923 -0.010 (0) + CaHCO3+ 9.854e-08 9.639e-08 -7.006 -7.016 -0.010 (0) +H(0) 3.947e-15 + H2 1.974e-15 1.974e-15 -14.705 -14.705 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -62.787 -62.787 0.000 (0) + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 6. +------------------------------------ + diff --git a/mytest/bad_graph_101.sel b/mytest/bad_graph_101.sel new file mode 100644 index 000000000..651043fc7 --- /dev/null +++ b/mytest/bad_graph_101.sel @@ -0,0 +1,3 @@ + Mu SC + 0.000000098225 0.0000000000 + 0.000368289129 0.0000000000 diff --git a/mytest/ball.out b/mytest/ball.out index f7904bd8e..d53505bdb 100644 --- a/mytest/ball.out +++ b/mytest/ball.out @@ -75,7 +75,7 @@ Initial solution 1. Synthetic stream water Specific Conductance (µS/cm, 25°C) = 78 Density (g/cm³) = 0.99709 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89064 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.681e-04 Mass of water (kg) = 1.000e+00 @@ -136,7 +136,6 @@ Na 2.900e-04 Na+ 2.898e-04 2.798e-04 -3.538 -3.553 -0.015 -1.48 NaSO4- 1.185e-07 1.145e-07 -6.926 -6.941 -0.015 -21.01 NaHCO3 1.094e-07 1.095e-07 -6.961 -6.961 0.000 31.73 - NaOH 4.488e-21 4.489e-21 -20.348 -20.348 0.000 (0) O(0) 1.049e-09 O2 5.247e-10 5.248e-10 -9.280 -9.280 0.000 30.40 S(6) 3.000e-05 @@ -227,7 +226,7 @@ Otavite 0.00 -12.10 -12.10 Specific Conductance (µS/cm, 25°C) = 78 Density (g/cm³) = 0.99709 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89064 + Viscosity (mPa s) = 0.89071 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.764e-04 Mass of water (kg) = 1.000e+00 @@ -327,7 +326,6 @@ Na 2.900e-04 Na+ 2.898e-04 2.798e-04 -3.538 -3.553 -0.015 -1.48 NaSO4- 1.184e-07 1.143e-07 -6.927 -6.942 -0.015 -20.99 NaHCO3 1.094e-07 1.095e-07 -6.961 -6.961 0.000 31.73 - NaOH 4.486e-21 4.487e-21 -20.348 -20.348 0.000 (0) O(0) 1.399e-09 O2 6.994e-10 6.996e-10 -9.155 -9.155 0.000 30.40 S(-2) 0.000e+00 diff --git a/mytest/ball_101.sel b/mytest/ball_101.sel index 05875f236..22d62cbed 100644 --- a/mytest/ball_101.sel +++ b/mytest/ball_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000968066829 78.2040664987 - 0.000976355251 78.8506797112 + 0.000968066829 78.2008109839 + 0.000976355251 78.8474623552 diff --git a/mytest/basic_test.out b/mytest/basic_test.out index cbf6e4d23..d04f43f2e 100644 --- a/mytest/basic_test.out +++ b/mytest/basic_test.out @@ -73,10 +73,10 @@ Initial solution 10. Test solution pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 84403 + Specific Conductance (µS/cm, 25°C) = 84402 Density (g/cm³) = 1.03635 Volume (L) = 1.02166 - Viscosity (mPa s) = 0.97432 + Viscosity (mPa s) = 0.97433 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.007e+00 Mass of water (kg) = 1.000e+00 @@ -127,7 +127,6 @@ Na 1.000e+00 NaSO4- 7.331e-04 4.822e-04 -3.135 -3.317 -0.182 11.91 NaHPO4- 2.004e-04 1.312e-04 -3.698 -3.882 -0.184 104.95 NaHCO3 1.876e-04 2.982e-04 -3.727 -3.525 0.201 31.73 - NaOH 5.667e-18 7.145e-18 -17.247 -17.146 0.101 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.211 -42.110 0.101 30.40 P 1.000e-03 @@ -585,7 +584,7 @@ ALK: 3.6830e-02 CALC_VALUE: WARNING: CALC_VALUE Basic function, Acidity not found. -1.0000e+04 CELL_NO: 10 -CHARGE_BALANCE: 3.6121e-12 +CHARGE_BALANCE: 3.6123e-12 DESCRIPTION: Test solution DIST: 0 EDL(P,Hfo): 1.2006e-06 @@ -617,7 +616,7 @@ RHO_0: 9.9704e-01 RTRIM(a$): abc def RXN: 1.0000e-04 S_S(Siderite): 6.6864e-02 -SC: 8.3911e+04 +SC: 8.3891e+04 SI(Siderite): -8.5430e-03 SIM_NO: 9 SIM_TIME: 86400000 @@ -800,7 +799,7 @@ Hfo 6.000e+02 m² for 1.000e+00 g Water in diffuse layer: 6.000e-03 kg, 100.0% of total DDL-water. - viscosity: 0.98182 mPa s for DDL water. + viscosity: 0.98215 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -5.809e-04 V. @@ -882,10 +881,10 @@ X 1.000e-03 mol pH = 6.894 Charge balance pe = 8.669 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 83911 + Specific Conductance (µS/cm, 25°C) = 83890 Density (g/cm³) = 1.04002 Volume (L) = 1.02142 - Viscosity (mPa s) = 0.98182 + Viscosity (mPa s) = 0.98215 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.020e+00 Mass of water (kg) = 9.991e-01 @@ -991,7 +990,6 @@ Na 9.948e-01 NaHCO3 5.175e-03 8.278e-03 -2.286 -2.082 0.204 31.73 NaSO4- 7.262e-04 4.772e-04 -3.139 -3.321 -0.182 12.04 NaHPO4- 3.839e-05 2.510e-05 -4.416 -4.600 -0.185 105.90 - NaOH 4.379e-18 5.539e-18 -17.359 -17.257 0.102 (0) O(0) 2.175e-24 O2 1.087e-24 1.375e-24 -23.964 -23.862 0.102 30.40 P 2.069e-04 diff --git a/mytest/basic_test_101.sel b/mytest/basic_test_101.sel index 5b6fc06bb..0034a681c 100644 --- a/mytest/basic_test_101.sel +++ b/mytest/basic_test_101.sel @@ -1,4 +1,4 @@ Mu SC - 1.006616820822 84403.3087478264 - 1.006616820822 84403.3087478264 - 1.020100607723 83911.2401985426 + 1.006616820822 84402.7500551818 + 1.006616820822 84402.7500551818 + 1.020100607723 83890.5705907480 diff --git a/mytest/calc_SC_101.sel b/mytest/calc_SC_101.sel index 810f4e489..c71cc64d5 100644 --- a/mytest/calc_SC_101.sel +++ b/mytest/calc_SC_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.006617927856 1248.7721831464 - 0.006927383618 437.8688694029 - 0.004000805624 1411.8937743459 - 0.004000107336 574.5919319889 + 0.006617927856 1248.7721303176 + 0.006927383618 437.8688683482 + 0.004000805624 1411.8937548877 + 0.004000107336 574.5919320498 diff --git a/mytest/calc_density.out b/mytest/calc_density.out index 154bdefc0..b8a9bdf8c 100644 --- a/mytest/calc_density.out +++ b/mytest/calc_density.out @@ -61,9 +61,9 @@ Initial solution 1. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.708e-18 + Total alkalinity (eq/kg) = -1.420e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.460e-16 + Electrical balance (eq) = 9.461e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (24 overall) Total H = 1.110124e+02 @@ -84,7 +84,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.29 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 @@ -139,7 +138,7 @@ Initial solution 2. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.503e-18 + Total alkalinity (eq/kg) = -3.556e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.170e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -162,7 +161,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.29 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 @@ -216,7 +214,7 @@ Initial solution 3. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.559e-17 + Total alkalinity (eq/kg) = -2.105e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.174e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -239,7 +237,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.29 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 @@ -294,7 +291,7 @@ Initial solution 4. Activity of water = 0.965 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.596e-18 + Total alkalinity (eq/kg) = -1.306e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.173e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -317,7 +314,6 @@ H(0) 1.328e-25 H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 Na 1.022e+00 Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.29 - NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 @@ -371,9 +367,9 @@ Initial solution 5. Activity of water = 0.964 Ionic strength (mol/kgw) = 1.062e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.832e-17 + Total alkalinity (eq/kg) = 3.309e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.073e-16 + Electrical balance (eq) = 8.072e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -394,7 +390,6 @@ H(0) 1.319e-25 H2 6.596e-26 8.423e-26 -25.181 -25.075 0.106 28.61 Na 1.062e+00 Na+ 1.062e+00 7.807e-01 0.026 -0.107 -0.134 -0.27 - NaOH 5.468e-18 6.983e-18 -17.262 -17.156 0.106 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.369 -42.263 0.106 30.40 @@ -467,7 +462,7 @@ Initial solution 1. pH = 8.220 pe = 8.451 - Specific Conductance (µS/cm, 25°C) = 51815 + Specific Conductance (µS/cm, 25°C) = 51814 Density (g/cm³) = 1.02269 (Iterated) Volume (L) = 1.01255 Viscosity (mPa s) = 0.95865 @@ -591,7 +586,6 @@ Na 4.743e-01 Na+ 4.605e-01 3.303e-01 -0.337 -0.481 -0.144 -0.52 NaSO4- 1.355e-02 9.210e-03 -1.868 -2.036 -0.168 8.02 NaHCO3 2.182e-04 2.950e-04 -3.661 -3.530 0.131 31.73 - NaOH 4.681e-17 5.444e-17 -16.330 -16.264 0.066 (0) O(0) 4.396e-04 O2 2.198e-04 2.556e-04 -3.658 -3.592 0.066 30.40 S(6) 2.859e-02 diff --git a/mytest/calc_density_101.sel b/mytest/calc_density_101.sel index 755487d64..77a05ff44 100644 --- a/mytest/calc_density_101.sel +++ b/mytest/calc_density_101.sel @@ -1,7 +1,7 @@ Mu SC - 1.022036207129 85867.2036789816 - 1.022036206362 85867.2036252497 - 1.022036206885 85867.2036618918 - 1.022036206510 85867.2036355844 - 1.062070515119 88654.7947695938 - 0.655161860724 51815.0500484339 + 1.022036207129 85867.2030368442 + 1.022036206362 85867.2029831123 + 1.022036206885 85867.2030197544 + 1.022036206510 85867.2029934470 + 1.062070515119 88654.7940973436 + 0.655161860724 51814.9875255996 diff --git a/mytest/calc_values.out b/mytest/calc_values.out index 3268fdcbe..c1155e566 100644 --- a/mytest/calc_values.out +++ b/mytest/calc_values.out @@ -76,10 +76,10 @@ calc1 2 pH = 4.994 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 195 + Specific Conductance (µS/cm, 25°C) = 194 Density (g/cm³) = 0.99759 Volume (L) = 1.00448 - Viscosity (mPa s) = 0.89153 + Viscosity (mPa s) = 0.89764 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.999e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/calc_values_101.sel b/mytest/calc_values_101.sel index 1c51aa2ac..40a57d779 100644 --- a/mytest/calc_values_101.sel +++ b/mytest/calc_values_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.002998534362 195.1168207119 + 0.002998534362 194.3091193894 diff --git a/mytest/calcite_rate.out b/mytest/calcite_rate.out index 1bc310fba..f97293558 100644 --- a/mytest/calcite_rate.out +++ b/mytest/calcite_rate.out @@ -105,7 +105,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 67 Density (g/cm³) = 0.99710 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89104 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.824e-04 Mass of water (kg) = 1.000e+00 @@ -199,7 +199,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 129 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89142 + Viscosity (mPa s) = 0.89149 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.731e-03 Mass of water (kg) = 1.000e+00 @@ -303,7 +303,7 @@ Kinetics 2. Specific Conductance (µS/cm, 25°C) = 129 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89142 + Viscosity (mPa s) = 0.89149 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.731e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/calcite_rate_101.sel b/mytest/calcite_rate_101.sel index 6721e7698..3b5ddc2cb 100644 --- a/mytest/calcite_rate_101.sel +++ b/mytest/calcite_rate_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.000782429217 67.4507207931 - 0.001730974047 129.0783555250 - 0.001730730575 129.0618881938 + 0.000782429217 67.4506403803 + 0.001730974047 129.0757220497 + 0.001730730575 129.0592519719 diff --git a/mytest/cc_1barCO2.out b/mytest/cc_1barCO2.out index d0ef569c8..ae676e597 100644 --- a/mytest/cc_1barCO2.out +++ b/mytest/cc_1barCO2.out @@ -125,10 +125,10 @@ Calcite 0.00 -8.24 -8.24 1.000e+01 9.985e+00 -1.465e-02 pH = 6.086 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 0°C) = 1228 + Specific Conductance (µS/cm, 0°C) = 1193 Density (g/cm³) = 1.00268 Volume (L) = 1.00275 - Viscosity (mPa s) = 1.82003 + Viscosity (mPa s) = 1.86256 Activity of water = 0.998 Ionic strength (mol/kgw) = 4.397e-02 Mass of water (kg) = 9.997e-01 @@ -198,10 +198,10 @@ Calcite 0.00 -8.30 -8.30 1.000e+01 9.988e+00 -1.210e-02 pH = 6.052 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 10°C) = 1418 + Specific Conductance (µS/cm, 10°C) = 1390 Density (g/cm³) = 1.00186 Volume (L) = 1.00219 - Viscosity (mPa s) = 1.32230 + Viscosity (mPa s) = 1.34323 Activity of water = 0.998 Ionic strength (mol/kgw) = 3.631e-02 Mass of water (kg) = 9.998e-01 @@ -271,10 +271,10 @@ Calcite 0.00 -8.36 -8.36 1.000e+01 9.990e+00 -9.976e-03 pH = 6.028 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 1546 + Specific Conductance (µS/cm, 20°C) = 1524 Density (g/cm³) = 0.99989 Volume (L) = 1.00324 - Viscosity (mPa s) = 1.01171 + Viscosity (mPa s) = 1.02311 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.994e-02 Mass of water (kg) = 9.998e-01 @@ -344,10 +344,10 @@ Calcite 0.00 -8.45 -8.45 1.000e+01 9.992e+00 -8.218e-03 pH = 6.011 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 1616 + Specific Conductance (µS/cm, 30°C) = 1600 Density (g/cm³) = 0.99698 Volume (L) = 1.00551 - Viscosity (mPa s) = 0.80374 + Viscosity (mPa s) = 0.81043 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.466e-02 Mass of water (kg) = 9.999e-01 @@ -417,10 +417,10 @@ Calcite 0.00 -8.55 -8.55 1.000e+01 9.993e+00 -6.769e-03 pH = 5.999 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 1638 + Specific Conductance (µS/cm, 40°C) = 1625 Density (g/cm³) = 0.99329 Volume (L) = 1.00877 - Viscosity (mPa s) = 0.65709 + Viscosity (mPa s) = 0.66123 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.031e-02 Mass of water (kg) = 9.999e-01 @@ -490,10 +490,10 @@ Calcite 0.00 -8.67 -8.67 1.000e+01 9.994e+00 -5.577e-03 pH = 5.992 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 1620 + Specific Conductance (µS/cm, 50°C) = 1610 Density (g/cm³) = 0.98891 Volume (L) = 1.01288 - Viscosity (mPa s) = 0.54953 + Viscosity (mPa s) = 0.55221 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.674e-02 Mass of water (kg) = 9.999e-01 @@ -563,10 +563,10 @@ Calcite 0.00 -8.80 -8.80 1.000e+01 9.995e+00 -4.598e-03 pH = 5.989 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 60°C) = 1570 + Specific Conductance (µS/cm, 60°C) = 1562 Density (g/cm³) = 0.98391 Volume (L) = 1.01775 - Viscosity (mPa s) = 0.46817 + Viscosity (mPa s) = 0.46997 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.380e-02 Mass of water (kg) = 9.999e-01 @@ -636,10 +636,10 @@ Calcite 0.00 -8.94 -8.94 1.000e+01 9.996e+00 -3.793e-03 pH = 5.988 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 1496 + Specific Conductance (µS/cm, 70°C) = 1490 Density (g/cm³) = 0.97835 Volume (L) = 1.02332 - Viscosity (mPa s) = 0.40510 + Viscosity (mPa s) = 0.40634 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.138e-02 Mass of water (kg) = 9.999e-01 @@ -709,10 +709,10 @@ Calcite 0.00 -9.09 -9.09 1.000e+01 9.997e+00 -3.132e-03 pH = 5.989 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 1405 + Specific Conductance (µS/cm, 80°C) = 1401 Density (g/cm³) = 0.97228 Volume (L) = 1.02954 - Viscosity (mPa s) = 0.35520 + Viscosity (mPa s) = 0.35608 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.399e-03 Mass of water (kg) = 9.999e-01 @@ -782,10 +782,10 @@ Calcite 0.00 -9.25 -9.25 1.000e+01 9.997e+00 -2.589e-03 pH = 5.993 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 90°C) = 1304 + Specific Conductance (µS/cm, 90°C) = 1301 Density (g/cm³) = 0.96571 Volume (L) = 1.03640 - Viscosity (mPa s) = 0.31505 + Viscosity (mPa s) = 0.31568 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.768e-03 Mass of water (kg) = 1.000e+00 @@ -855,10 +855,10 @@ Calcite 0.00 -9.42 -9.42 1.000e+01 9.998e+00 -2.141e-03 pH = 5.997 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1197 + Specific Conductance (µS/cm, 100°C) = 1195 Density (g/cm³) = 0.95869 Volume (L) = 1.04389 - Viscosity (mPa s) = 0.28226 + Viscosity (mPa s) = 0.28272 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.426e-03 Mass of water (kg) = 1.000e+00 @@ -928,10 +928,10 @@ Calcite 0.00 -9.59 -9.59 1.000e+01 9.998e+00 -1.773e-03 pH = 6.003 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 110°C) = 1089 + Specific Conductance (µS/cm, 110°C) = 1087 Density (g/cm³) = 0.95123 Volume (L) = 1.05198 - Viscosity (mPa s) = 0.25514 + Viscosity (mPa s) = 0.25548 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.321e-03 Mass of water (kg) = 1.000e+00 @@ -1002,10 +1002,10 @@ Calcite 0.00 -9.78 -9.78 1.000e+01 9.999e+00 -1.470e-03 pH = 6.010 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 982 + Specific Conductance (µS/cm, 120°C) = 981 Density (g/cm³) = 0.94335 Volume (L) = 1.06071 - Viscosity (mPa s) = 0.23246 + Viscosity (mPa s) = 0.23271 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.411e-03 Mass of water (kg) = 1.000e+00 @@ -1076,10 +1076,10 @@ Calcite -0.00 -9.97 -9.97 1.000e+01 9.999e+00 -1.220e-03 pH = 6.018 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 130°C) = 879 + Specific Conductance (µS/cm, 130°C) = 878 Density (g/cm³) = 0.93504 Volume (L) = 1.07008 - Viscosity (mPa s) = 0.21328 + Viscosity (mPa s) = 0.21347 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.660e-03 Mass of water (kg) = 1.000e+00 @@ -1150,10 +1150,10 @@ Calcite 0.00 -10.17 -10.17 1.000e+01 9.999e+00 -1.013e-03 pH = 6.027 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 782 + Specific Conductance (µS/cm, 140°C) = 781 Density (g/cm³) = 0.92630 Volume (L) = 1.08012 - Viscosity (mPa s) = 0.19692 + Viscosity (mPa s) = 0.19706 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.040e-03 Mass of water (kg) = 1.000e+00 @@ -1227,7 +1227,7 @@ Calcite 0.00 -10.37 -10.37 1.000e+01 9.999e+00 -8.424e-04 Specific Conductance (µS/cm, 150°C) = 691 Density (g/cm³) = 0.91715 Volume (L) = 1.09087 - Viscosity (mPa s) = 0.18283 + Viscosity (mPa s) = 0.18294 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.528e-03 Mass of water (kg) = 1.000e+00 @@ -1298,10 +1298,10 @@ Calcite 0.00 -10.58 -10.58 1.000e+01 9.999e+00 -7.013e-04 pH = 6.046 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 608 + Specific Conductance (µS/cm, 160°C) = 607 Density (g/cm³) = 0.90756 Volume (L) = 1.10236 - Viscosity (mPa s) = 0.17061 + Viscosity (mPa s) = 0.17068 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.105e-03 Mass of water (kg) = 1.000e+00 @@ -1375,7 +1375,7 @@ Calcite 0.00 -10.79 -10.79 1.000e+01 9.999e+00 -5.846e-04 Specific Conductance (µS/cm, 170°C) = 532 Density (g/cm³) = 0.89754 Volume (L) = 1.11465 - Viscosity (mPa s) = 0.15991 + Viscosity (mPa s) = 0.15995 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-03 Mass of water (kg) = 1.000e+00 @@ -1523,7 +1523,7 @@ Calcite 0.00 -11.23 -11.23 1.000e+01 1.000e+01 -4.079e-04 Specific Conductance (µS/cm, 190°C) = 404 Density (g/cm³) = 0.87612 Volume (L) = 1.14188 - Viscosity (mPa s) = 0.14183 + Viscosity (mPa s) = 0.14162 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.225e-03 Mass of water (kg) = 1.000e+00 @@ -1594,10 +1594,10 @@ Calcite 0.00 -11.45 -11.45 1.000e+01 1.000e+01 -3.416e-04 pH = 6.089 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 348 + Specific Conductance (µS/cm, 200°C) = 347 Density (g/cm³) = 0.86468 Volume (L) = 1.15698 - Viscosity (mPa s) = 0.13488 + Viscosity (mPa s) = 0.13506 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.026e-03 Mass of water (kg) = 1.000e+00 @@ -1671,7 +1671,7 @@ Calcite -0.00 -11.68 -11.68 1.000e+01 1.000e+01 -2.867e-04 Specific Conductance (µS/cm, 210°C) = 301 Density (g/cm³) = 0.85272 Volume (L) = 1.17321 - Viscosity (mPa s) = 0.12805 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12814 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 8.609e-04 Mass of water (kg) = 1.000e+00 @@ -1745,7 +1745,7 @@ Calcite 0.00 -11.91 -11.91 1.000e+01 1.000e+01 -2.412e-04 Specific Conductance (µS/cm, 220°C) = 259 Density (g/cm³) = 0.84021 Volume (L) = 1.19070 - Viscosity (mPa s) = 0.12192 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12199 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 7.244e-04 Mass of water (kg) = 1.000e+00 @@ -1816,10 +1816,10 @@ Calcite 0.00 -12.13 -12.13 1.000e+01 1.000e+01 -2.035e-04 pH = 6.126 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 230°C) = 224 + Specific Conductance (µS/cm, 230°C) = 223 Density (g/cm³) = 0.82709 Volume (L) = 1.20960 - Viscosity (mPa s) = 0.11633 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11638 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 6.113e-04 Mass of water (kg) = 1.000e+00 @@ -1893,7 +1893,7 @@ Calcite -0.00 -12.36 -12.36 1.000e+01 1.000e+01 -1.723e-04 Specific Conductance (µS/cm, 240°C) = 192 Density (g/cm³) = 0.81331 Volume (L) = 1.23011 - Viscosity (mPa s) = 0.11118 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11123 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 5.178e-04 Mass of water (kg) = 1.000e+00 @@ -1967,7 +1967,7 @@ Calcite 0.00 -12.58 -12.58 1.000e+01 1.000e+01 -1.467e-04 Specific Conductance (µS/cm, 250°C) = 166 Density (g/cm³) = 0.79880 Volume (L) = 1.25246 - Viscosity (mPa s) = 0.10640 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.10644 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 4.407e-04 Mass of water (kg) = 1.000e+00 @@ -2041,7 +2041,7 @@ Calcite 0.00 -12.80 -12.80 1.000e+01 1.000e+01 -1.256e-04 Specific Conductance (µS/cm, 260°C) = 143 Density (g/cm³) = 0.78349 Volume (L) = 1.27697 - Viscosity (mPa s) = 0.10192 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.10196 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 3.775e-04 Mass of water (kg) = 1.000e+00 @@ -2115,7 +2115,7 @@ Calcite 0.00 -13.01 -13.01 1.000e+01 1.000e+01 -1.085e-04 Specific Conductance (µS/cm, 270°C) = 124 Density (g/cm³) = 0.76726 Volume (L) = 1.30400 - Viscosity (mPa s) = 0.09769 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.09773 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 3.261e-04 Mass of water (kg) = 1.000e+00 @@ -2189,7 +2189,7 @@ Calcite -0.00 -13.20 -13.20 1.000e+01 1.000e+01 -9.480e-05 Specific Conductance (µS/cm, 280°C) = 109 Density (g/cm³) = 0.74999 Volume (L) = 1.33405 - Viscosity (mPa s) = 0.09365 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.09369 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 2.851e-04 Mass of water (kg) = 1.000e+00 @@ -2263,7 +2263,7 @@ Calcite 0.00 -13.37 -13.37 1.000e+01 1.000e+01 -8.434e-05 Specific Conductance (µS/cm, 290°C) = 96 Density (g/cm³) = 0.73150 Volume (L) = 1.36778 - Viscosity (mPa s) = 0.08975 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.08979 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 2.537e-04 Mass of water (kg) = 1.000e+00 @@ -2337,7 +2337,7 @@ Calcite -0.00 -13.49 -13.49 1.000e+01 1.000e+01 -7.709e-05 Specific Conductance (µS/cm, 300°C) = 87 Density (g/cm³) = 0.71159 Volume (L) = 1.40607 - Viscosity (mPa s) = 0.08595 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.08598 (solute contributions limited to 200 °C) Activity of water = 1.000 Ionic strength (mol/kgw) = 2.319e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/cc_1barCO2_101.sel b/mytest/cc_1barCO2_101.sel index 198b4a0c2..3b05ec7c1 100644 --- a/mytest/cc_1barCO2_101.sel +++ b/mytest/cc_1barCO2_101.sel @@ -1,33 +1,33 @@ Mu SC - 0.000000100645 0.0546913894 - 0.043967760110 1228.6046912193 - 0.036312615109 1418.3559124541 - 0.029936096514 1546.0989885192 - 0.024660632801 1616.8860086223 - 0.020312604326 1638.6377664034 - 0.016736253960 1620.1384726293 - 0.013797406863 1570.0062813972 - 0.011383002304 1496.1808165090 - 0.009399001130 1405.6827006573 - 0.007767805264 1304.5217134124 - 0.006425695341 1197.6915843984 - 0.005321205986 1089.3580725256 - 0.004410976733 982.5404618490 - 0.003660200733 879.6004877630 - 0.003040419337 782.2179489612 - 0.002528366957 691.5041422950 - 0.002105007165 608.1074594826 - 0.001754747502 532.3147503785 - 0.001464801906 464.1682775411 - 0.001224674145 404.1452871235 - 0.001025739948 348.3914826267 - 0.000860909445 301.3059487876 - 0.000724354966 259.9534330748 - 0.000611292263 224.0138700383 - 0.000517805991 192.9928384937 - 0.000440713077 166.4059556292 - 0.000377460916 143.8139232819 - 0.000326062350 124.8449612865 - 0.000285078931 109.2209466787 - 0.000253685870 96.8017385242 - 0.000231911074 87.6792702498 + 0.000000100645 0.0546913895 + 0.043967760110 1193.8891614375 + 0.036312615109 1390.9514116463 + 0.029936096514 1524.7040177420 + 0.024660632801 1600.3026042758 + 0.020312604326 1625.8552102943 + 0.016736253960 1610.3314581301 + 0.013797406863 1562.5139614479 + 0.011383002304 1490.4808632139 + 0.009399001130 1401.3657131526 + 0.007767805264 1301.2684910732 + 0.006425695341 1195.2541476255 + 0.005321205986 1087.5441441677 + 0.004410976733 981.2019040640 + 0.003660200733 878.6237836294 + 0.003040419337 781.5171577774 + 0.002528366957 691.0158846974 + 0.002105007165 607.7883785941 + 0.001754747502 532.1443628192 + 0.001464801906 464.1769837793 + 0.001224674145 404.9111923112 + 0.001025739948 347.8136559857 + 0.000860909445 301.0291667630 + 0.000724354966 259.7670774800 + 0.000611292263 223.8752611746 + 0.000517805991 192.8845179099 + 0.000440713077 166.3185439185 + 0.000377460916 143.7416527828 + 0.000326062350 124.7840098414 + 0.000285078931 109.1686612018 + 0.000253685870 96.7562139097 + 0.000231911074 87.6390870586 diff --git a/mytest/cc_Ellis.out b/mytest/cc_Ellis.out index 722551496..95cae8d77 100644 --- a/mytest/cc_Ellis.out +++ b/mytest/cc_Ellis.out @@ -139,10 +139,10 @@ Calcite 0.00 -9.77 -9.77 1.000e+01 9.994e+00 -6.238e-03 pH = 5.428 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 60864 + Specific Conductance (µS/cm, 120°C) = 60651 Density (g/cm³) = 0.95294 Volume (L) = 1.06734 - Viscosity (mPa s) = 0.24002 + Viscosity (mPa s) = 0.24112 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.187e-01 Mass of water (kg) = 9.999e-01 @@ -225,10 +225,10 @@ Calcite -0.00 -10.09 -10.09 1.000e+01 9.995e+00 -4.938e-03 pH = 5.452 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 137°C) = 65940 + Specific Conductance (µS/cm, 137°C) = 65786 Density (g/cm³) = 0.93876 Volume (L) = 1.08298 - Viscosity (mPa s) = 0.20867 + Viscosity (mPa s) = 0.20932 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.148e-01 Mass of water (kg) = 9.999e-01 @@ -311,10 +311,10 @@ Calcite 0.00 -10.43 -10.43 1.000e+01 9.996e+00 -3.936e-03 pH = 5.478 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 153°C) = 70300 + Specific Conductance (µS/cm, 153°C) = 70246 Density (g/cm³) = 0.92345 Volume (L) = 1.10065 - Viscosity (mPa s) = 0.18439 + Viscosity (mPa s) = 0.18458 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.118e-01 Mass of water (kg) = 9.999e-01 @@ -397,10 +397,10 @@ Calcite 0.00 -10.79 -10.79 1.000e+01 9.997e+00 -3.159e-03 pH = 5.508 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 170°C) = 73915 + Specific Conductance (µS/cm, 170°C) = 74080 Density (g/cm³) = 0.90695 Volume (L) = 1.12053 - Viscosity (mPa s) = 0.16511 + Viscosity (mPa s) = 0.16462 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.095e-01 Mass of water (kg) = 9.999e-01 @@ -483,10 +483,10 @@ Calcite 0.00 -11.16 -11.16 1.000e+01 9.997e+00 -2.556e-03 pH = 5.540 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 187°C) = 76792 + Specific Conductance (µS/cm, 187°C) = 77723 Density (g/cm³) = 0.88917 Volume (L) = 1.14294 - Viscosity (mPa s) = 0.14941 + Viscosity (mPa s) = 0.14701 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.077e-01 Mass of water (kg) = 1.000e+00 @@ -569,10 +569,10 @@ Calcite 0.00 -11.53 -11.53 1.000e+01 9.998e+00 -2.091e-03 pH = 5.575 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 203°C) = 77994 + Specific Conductance (µS/cm, 203°C) = 63840 Density (g/cm³) = 0.87031 Volume (L) = 1.16782 - Viscosity (mPa s) = 0.13869 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.18177 (solute contributions limited to 200 °C) Activity of water = 0.992 Ionic strength (mol/kgw) = 2.063e-01 Mass of water (kg) = 1.000e+00 @@ -655,10 +655,10 @@ Calcite -0.00 -11.91 -11.91 1.000e+01 9.998e+00 -1.733e-03 pH = 5.614 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 220°C) = 80096 + Specific Conductance (µS/cm, 220°C) = 78228 Density (g/cm³) = 0.85003 Volume (L) = 1.19589 - Viscosity (mPa s) = 0.12607 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13016 (solute contributions limited to 200 °C) Activity of water = 0.992 Ionic strength (mol/kgw) = 2.052e-01 Mass of water (kg) = 1.000e+00 @@ -741,10 +741,10 @@ Calcite 0.00 -12.30 -12.30 1.000e+01 9.999e+00 -1.459e-03 pH = 5.655 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 237°C) = 80749 + Specific Conductance (µS/cm, 237°C) = 79431 Density (g/cm³) = 0.82813 Volume (L) = 1.22786 - Viscosity (mPa s) = 0.11669 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11933 (solute contributions limited to 200 °C) Activity of water = 0.992 Ionic strength (mol/kgw) = 2.044e-01 Mass of water (kg) = 1.000e+00 @@ -827,10 +827,10 @@ Calcite 0.00 -12.68 -12.68 1.000e+01 9.999e+00 -1.257e-03 pH = 5.701 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 253°C) = 80677 + Specific Conductance (µS/cm, 253°C) = 79530 Density (g/cm³) = 0.80431 Volume (L) = 1.26467 - Viscosity (mPa s) = 0.10848 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11062 (solute contributions limited to 200 °C) Activity of water = 0.992 Ionic strength (mol/kgw) = 2.038e-01 Mass of water (kg) = 1.000e+00 @@ -913,10 +913,10 @@ Calcite -0.00 -13.04 -13.04 1.000e+01 9.999e+00 -1.120e-03 pH = 5.750 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 270°C) = 79908 + Specific Conductance (µS/cm, 270°C) = 78836 Density (g/cm³) = 0.77817 Volume (L) = 1.30765 - Viscosity (mPa s) = 0.10110 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.10298 (solute contributions limited to 200 °C) Activity of water = 0.992 Ionic strength (mol/kgw) = 2.034e-01 Mass of water (kg) = 1.000e+00 @@ -1079,10 +1079,10 @@ Calcite 0.00 -9.77 -9.77 1.000e+01 9.992e+00 -7.728e-03 pH = 5.431 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 134232 + Specific Conductance (µS/cm, 120°C) = 133760 Density (g/cm³) = 0.96463 Volume (L) = 1.07257 - Viscosity (mPa s) = 0.24946 + Viscosity (mPa s) = 0.25064 Activity of water = 0.982 Ionic strength (mol/kgw) = 5.233e-01 Mass of water (kg) = 9.999e-01 @@ -1165,10 +1165,10 @@ Calcite -0.00 -10.09 -10.09 1.000e+01 9.994e+00 -6.222e-03 pH = 5.457 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 137°C) = 146221 + Specific Conductance (µS/cm, 137°C) = 145856 Density (g/cm³) = 0.95067 Volume (L) = 1.08783 - Viscosity (mPa s) = 0.21707 + Viscosity (mPa s) = 0.21780 Activity of water = 0.982 Ionic strength (mol/kgw) = 5.187e-01 Mass of water (kg) = 9.999e-01 @@ -1251,10 +1251,10 @@ Calcite 0.00 -10.43 -10.43 1.000e+01 9.995e+00 -5.051e-03 pH = 5.487 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 153°C) = 156678 + Specific Conductance (µS/cm, 153°C) = 156501 Density (g/cm³) = 0.93567 Volume (L) = 1.10497 - Viscosity (mPa s) = 0.19194 + Viscosity (mPa s) = 0.19224 Activity of water = 0.982 Ionic strength (mol/kgw) = 5.152e-01 Mass of water (kg) = 9.999e-01 @@ -1337,10 +1337,10 @@ Calcite -0.00 -10.79 -10.79 1.000e+01 9.996e+00 -4.137e-03 pH = 5.519 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 170°C) = 165538 + Specific Conductance (µS/cm, 170°C) = 165765 Density (g/cm³) = 0.91957 Volume (L) = 1.12416 - Viscosity (mPa s) = 0.17199 + Viscosity (mPa s) = 0.17167 Activity of water = 0.982 Ionic strength (mol/kgw) = 5.125e-01 Mass of water (kg) = 9.999e-01 @@ -1423,10 +1423,10 @@ Calcite 0.00 -11.16 -11.16 1.000e+01 9.997e+00 -3.423e-03 pH = 5.555 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 187°C) = 172812 + Specific Conductance (µS/cm, 187°C) = 174222 Density (g/cm³) = 0.90233 Volume (L) = 1.14562 - Viscosity (mPa s) = 0.15575 + Viscosity (mPa s) = 0.15404 Activity of water = 0.983 Ionic strength (mol/kgw) = 5.103e-01 Mass of water (kg) = 9.999e-01 @@ -1509,10 +1509,10 @@ Calcite 0.00 -11.53 -11.53 1.000e+01 9.997e+00 -2.872e-03 pH = 5.596 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 203°C) = 178959 + Specific Conductance (µS/cm, 203°C) = 192075 Density (g/cm³) = 0.88415 Volume (L) = 1.16926 - Viscosity (mPa s) = 0.14187 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12886 (solute contributions limited to 200 °C) Activity of water = 0.983 Ionic strength (mol/kgw) = 5.086e-01 Mass of water (kg) = 9.999e-01 @@ -1595,10 +1595,10 @@ Calcite 0.00 -11.91 -11.91 1.000e+01 9.998e+00 -2.449e-03 pH = 5.640 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 220°C) = 182134 + Specific Conductance (µS/cm, 220°C) = 175822 Density (g/cm³) = 0.86479 Volume (L) = 1.19562 - Viscosity (mPa s) = 0.13160 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13808 (solute contributions limited to 200 °C) Activity of water = 0.983 Ionic strength (mol/kgw) = 5.074e-01 Mass of water (kg) = 1.000e+00 @@ -1681,10 +1681,10 @@ Calcite -0.00 -12.30 -12.30 1.000e+01 9.998e+00 -2.133e-03 pH = 5.688 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 237°C) = 184921 + Specific Conductance (µS/cm, 237°C) = 181130 Density (g/cm³) = 0.84412 Volume (L) = 1.22521 - Viscosity (mPa s) = 0.12177 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12526 (solute contributions limited to 200 °C) Activity of water = 0.983 Ionic strength (mol/kgw) = 5.064e-01 Mass of water (kg) = 1.000e+00 @@ -1767,10 +1767,10 @@ Calcite 0.00 -12.68 -12.68 1.000e+01 9.998e+00 -1.910e-03 pH = 5.742 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 253°C) = 186249 + Specific Conductance (µS/cm, 253°C) = 183050 Density (g/cm³) = 0.82198 Volume (L) = 1.25862 - Viscosity (mPa s) = 0.11322 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11593 (solute contributions limited to 200 °C) Activity of water = 0.983 Ionic strength (mol/kgw) = 5.058e-01 Mass of water (kg) = 1.000e+00 @@ -1853,10 +1853,10 @@ Calcite 0.00 -13.06 -13.06 1.000e+01 9.998e+00 -1.781e-03 pH = 5.802 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 270°C) = 186350 + Specific Conductance (µS/cm, 270°C) = 183362 Density (g/cm³) = 0.79820 Volume (L) = 1.29659 - Viscosity (mPa s) = 0.10554 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.10790 (solute contributions limited to 200 °C) Activity of water = 0.984 Ionic strength (mol/kgw) = 5.054e-01 Mass of water (kg) = 1.000e+00 @@ -2019,10 +2019,10 @@ Calcite 0.00 -9.77 -9.77 1.000e+01 9.991e+00 -8.999e-03 pH = 5.409 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 239136 + Specific Conductance (µS/cm, 120°C) = 238344 Density (g/cm³) = 0.98324 Volume (L) = 1.08184 - Viscosity (mPa s) = 0.26526 + Viscosity (mPa s) = 0.26645 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.027e+00 Mass of water (kg) = 9.998e-01 @@ -2105,10 +2105,10 @@ Calcite 0.00 -10.09 -10.09 1.000e+01 9.993e+00 -7.346e-03 pH = 5.437 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 137°C) = 261285 + Specific Conductance (µS/cm, 137°C) = 260636 Density (g/cm³) = 0.96959 Volume (L) = 1.09658 - Viscosity (mPa s) = 0.23107 + Viscosity (mPa s) = 0.23185 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.022e+00 Mass of water (kg) = 9.999e-01 @@ -2191,10 +2191,10 @@ Calcite 0.00 -10.43 -10.43 1.000e+01 9.994e+00 -6.054e-03 pH = 5.469 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 153°C) = 280908 + Specific Conductance (µS/cm, 153°C) = 280508 Density (g/cm³) = 0.95501 Volume (L) = 1.11302 - Viscosity (mPa s) = 0.20452 + Viscosity (mPa s) = 0.20491 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.018e+00 Mass of water (kg) = 9.999e-01 @@ -2277,10 +2277,10 @@ Calcite 0.00 -10.79 -10.79 1.000e+01 9.995e+00 -5.044e-03 pH = 5.505 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 170°C) = 297901 + Specific Conductance (µS/cm, 170°C) = 298008 Density (g/cm³) = 0.93947 Volume (L) = 1.13126 - Viscosity (mPa s) = 0.18340 + Viscosity (mPa s) = 0.18331 Activity of water = 0.967 Ionic strength (mol/kgw) = 1.015e+00 Mass of water (kg) = 9.999e-01 @@ -2363,10 +2363,10 @@ Calcite 0.00 -11.16 -11.16 1.000e+01 9.996e+00 -4.256e-03 pH = 5.545 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 187°C) = 312291 + Specific Conductance (µS/cm, 187°C) = 313688 Density (g/cm³) = 0.92296 Volume (L) = 1.15146 - Viscosity (mPa s) = 0.16621 + Viscosity (mPa s) = 0.16520 Activity of water = 0.967 Ionic strength (mol/kgw) = 1.013e+00 Mass of water (kg) = 9.999e-01 @@ -2449,10 +2449,10 @@ Calcite 0.00 -11.53 -11.53 1.000e+01 9.996e+00 -3.650e-03 pH = 5.589 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 203°C) = 324358 + Specific Conductance (µS/cm, 203°C) = 331480 Density (g/cm³) = 0.90573 Volume (L) = 1.17343 - Viscosity (mPa s) = 0.15188 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14744 (solute contributions limited to 200 °C) Activity of water = 0.968 Ionic strength (mol/kgw) = 1.011e+00 Mass of water (kg) = 9.999e-01 @@ -2535,10 +2535,10 @@ Calcite 0.00 -11.92 -11.92 1.000e+01 9.997e+00 -3.193e-03 pH = 5.639 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 220°C) = 331988 + Specific Conductance (µS/cm, 220°C) = 310139 Density (g/cm³) = 0.88765 Volume (L) = 1.19749 - Viscosity (mPa s) = 0.14098 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.15472 (solute contributions limited to 200 °C) Activity of water = 0.968 Ionic strength (mol/kgw) = 1.010e+00 Mass of water (kg) = 9.999e-01 @@ -2621,10 +2621,10 @@ Calcite 0.00 -12.31 -12.31 1.000e+01 9.997e+00 -2.863e-03 pH = 5.694 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 237°C) = 340217 + Specific Conductance (µS/cm, 237°C) = 332188 Density (g/cm³) = 0.86870 Volume (L) = 1.22388 - Viscosity (mPa s) = 0.13011 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13443 (solute contributions limited to 200 °C) Activity of water = 0.969 Ionic strength (mol/kgw) = 1.009e+00 Mass of water (kg) = 9.999e-01 @@ -2707,10 +2707,10 @@ Calcite -0.00 -12.69 -12.69 1.000e+01 9.997e+00 -2.655e-03 pH = 5.755 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 253°C) = 345865 + Specific Conductance (µS/cm, 253°C) = 339587 Density (g/cm³) = 0.84895 Volume (L) = 1.25272 - Viscosity (mPa s) = 0.12098 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12405 (solute contributions limited to 200 °C) Activity of water = 0.970 Ionic strength (mol/kgw) = 1.008e+00 Mass of water (kg) = 1.000e+00 @@ -2793,10 +2793,10 @@ Calcite 0.00 -13.08 -13.08 1.000e+01 9.997e+00 -2.580e-03 pH = 5.825 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 270°C) = 350260 + Specific Conductance (µS/cm, 270°C) = 344495 Density (g/cm³) = 0.82854 Volume (L) = 1.28401 - Viscosity (mPa s) = 0.11280 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.11539 (solute contributions limited to 200 °C) Activity of water = 0.970 Ionic strength (mol/kgw) = 1.008e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/cc_Ellis_101.sel b/mytest/cc_Ellis_101.sel index 80e3f9b0d..5ab38aa26 100644 --- a/mytest/cc_Ellis_101.sel +++ b/mytest/cc_Ellis_101.sel @@ -1,34 +1,34 @@ Mu SC - 0.200000134780 20205.1527952289 - 0.218745524077 60864.0960464550 - 0.214840350869 65940.7404881192 - 0.211827313822 70300.7526558568 - 0.209493739270 73915.6941785389 - 0.207681272553 76792.7628066864 - 0.206284919235 77994.7696811390 - 0.205208336861 80096.7302052812 - 0.204387654599 80749.5923076175 - 0.203780798204 80677.5570827694 - 0.203367445925 79908.9506400238 - 0.500000140312 46331.6269339699 - 0.523262399073 134232.9919507382 - 0.518731536602 146221.5697892348 - 0.515205087497 156678.1312340037 - 0.512453965104 165538.3607246513 - 0.510305833341 172812.4908702945 - 0.508647639873 178959.1557990545 - 0.507375398820 182134.8086409679 - 0.506422621743 184921.3457669058 - 0.505752508525 186249.5865405044 - 0.505363392791 186350.8336552046 - 1.000000137672 84401.6600538962 - 1.027170603356 239136.4944649135 - 1.022179793363 261285.6007674226 - 1.018280630566 280908.2616559952 - 1.015231566799 297901.4138708165 - 1.012851077084 312291.2773423138 - 1.011022689687 324358.2921336865 - 1.009642114590 331988.5582020868 - 1.008647378777 340217.5462002860 - 1.008018119813 345865.0185158530 - 1.007791148164 350260.0597000282 + 0.200000134780 20205.1527245969 + 0.218745524077 60651.5843412284 + 0.214840350869 65786.7708731922 + 0.211827313822 70246.4569787947 + 0.209493739270 74080.6415301814 + 0.207681272553 77723.2419354071 + 0.206284919235 63840.6953218051 + 0.205208336861 78228.7688251784 + 0.204387654599 79431.0140575615 + 0.203780798204 79530.1951650286 + 0.203367445925 78836.9892393150 + 0.500000140312 46331.6266895478 + 0.523262399073 133760.7044077728 + 0.518731536602 145856.5650796765 + 0.515205087497 156501.9451439806 + 0.512453965104 165765.2759737285 + 0.510305833341 174222.1352129899 + 0.508647639873 192075.7248385021 + 0.507375398820 175822.9615793470 + 0.506422621743 181130.4265374935 + 0.505752508525 183050.1632585820 + 0.505363392791 183362.2371267382 + 1.000000137672 84401.6594939352 + 1.027170603356 238344.1608640343 + 1.022179793363 260636.6923557464 + 1.018280630566 280508.3296308154 + 1.015231566799 298008.0546337360 + 1.012851077084 313688.9244914858 + 1.011022689687 331480.0400044898 + 1.009642114590 310139.0584672634 + 1.008647378777 332188.3622633734 + 1.008018119813 339587.4798781739 + 1.007791148164 344495.1115184308 diff --git a/mytest/cc_Malin.out b/mytest/cc_Malin.out index 3777ca954..069d4ce9a 100644 --- a/mytest/cc_Malin.out +++ b/mytest/cc_Malin.out @@ -153,10 +153,10 @@ Calcite 0.00 -11.07 -11.07 1.000e+01 9.999e+00 -6.688e-04 pH = 7.624 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 705930 + Specific Conductance (µS/cm, 200°C) = 705892 Density (g/cm³) = 1.01340 Volume (L) = 1.15986 - Viscosity (mPa s) = 0.21436 + Viscosity (mPa s) = 0.21437 Activity of water = 0.902 Ionic strength (mol/kgw) = 3.002e+00 Mass of water (kg) = 1.000e+00 @@ -252,10 +252,10 @@ Calcite 0.00 -11.07 -11.07 9.999e+00 9.994e+00 -5.566e-03 pH = 5.351 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 703057 + Specific Conductance (µS/cm, 200°C) = 702690 Density (g/cm³) = 1.01367 Volume (L) = 1.16314 - Viscosity (mPa s) = 0.21468 + Viscosity (mPa s) = 0.21483 Activity of water = 0.900 Ionic strength (mol/kgw) = 3.019e+00 Mass of water (kg) = 9.999e-01 @@ -351,10 +351,10 @@ Calcite 0.00 -11.07 -11.07 9.994e+00 9.992e+00 -1.604e-03 pH = 5.140 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 699350 + Specific Conductance (µS/cm, 200°C) = 698588 Density (g/cm³) = 1.01351 Volume (L) = 1.16651 - Viscosity (mPa s) = 0.21477 + Viscosity (mPa s) = 0.21509 Activity of water = 0.899 Ionic strength (mol/kgw) = 3.024e+00 Mass of water (kg) = 9.999e-01 @@ -450,10 +450,10 @@ Calcite 0.00 -11.07 -11.07 9.992e+00 9.991e+00 -1.057e-03 pH = 5.019 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 695539 + Specific Conductance (µS/cm, 200°C) = 694383 Density (g/cm³) = 1.01330 Volume (L) = 1.16990 - Viscosity (mPa s) = 0.21483 + Viscosity (mPa s) = 0.21532 Activity of water = 0.897 Ionic strength (mol/kgw) = 3.027e+00 Mass of water (kg) = 9.998e-01 @@ -549,10 +549,10 @@ Calcite 0.00 -11.07 -11.07 9.991e+00 9.990e+00 -7.926e-04 pH = 4.933 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 691697 + Specific Conductance (µS/cm, 200°C) = 690151 Density (g/cm³) = 1.01307 Volume (L) = 1.17329 - Viscosity (mPa s) = 0.21487 + Viscosity (mPa s) = 0.21553 Activity of water = 0.895 Ionic strength (mol/kgw) = 3.030e+00 Mass of water (kg) = 9.998e-01 @@ -648,10 +648,10 @@ Calcite 0.00 -11.07 -11.07 9.990e+00 9.990e+00 -6.304e-04 pH = 4.867 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 687847 + Specific Conductance (µS/cm, 200°C) = 685918 Density (g/cm³) = 1.01282 Volume (L) = 1.17668 - Viscosity (mPa s) = 0.21491 + Viscosity (mPa s) = 0.21573 Activity of water = 0.894 Ionic strength (mol/kgw) = 3.032e+00 Mass of water (kg) = 9.998e-01 @@ -747,10 +747,10 @@ Calcite 0.00 -11.07 -11.07 9.990e+00 9.989e+00 -5.184e-04 pH = 4.813 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 684004 + Specific Conductance (µS/cm, 200°C) = 681697 Density (g/cm³) = 1.01256 Volume (L) = 1.18008 - Viscosity (mPa s) = 0.21494 + Viscosity (mPa s) = 0.21593 Activity of water = 0.892 Ionic strength (mol/kgw) = 3.033e+00 Mass of water (kg) = 9.998e-01 @@ -846,10 +846,10 @@ Calcite 0.00 -11.07 -11.07 9.989e+00 9.989e+00 -4.354e-04 pH = 4.767 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 680173 + Specific Conductance (µS/cm, 200°C) = 677497 Density (g/cm³) = 1.01229 Volume (L) = 1.18348 - Viscosity (mPa s) = 0.21496 + Viscosity (mPa s) = 0.21612 Activity of water = 0.890 Ionic strength (mol/kgw) = 3.034e+00 Mass of water (kg) = 9.998e-01 @@ -945,10 +945,10 @@ Calcite 0.00 -11.07 -11.07 9.989e+00 9.988e+00 -3.708e-04 pH = 4.728 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 676359 + Specific Conductance (µS/cm, 200°C) = 673320 Density (g/cm³) = 1.01202 Volume (L) = 1.18688 - Viscosity (mPa s) = 0.21498 + Viscosity (mPa s) = 0.21631 Activity of water = 0.889 Ionic strength (mol/kgw) = 3.036e+00 Mass of water (kg) = 9.998e-01 @@ -1044,10 +1044,10 @@ Calcite 0.00 -11.07 -11.07 9.988e+00 9.988e+00 -3.189e-04 pH = 4.694 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 672566 + Specific Conductance (µS/cm, 200°C) = 669171 Density (g/cm³) = 1.01174 Volume (L) = 1.19028 - Viscosity (mPa s) = 0.21500 + Viscosity (mPa s) = 0.21649 Activity of water = 0.887 Ionic strength (mol/kgw) = 3.037e+00 Mass of water (kg) = 9.998e-01 @@ -1143,10 +1143,10 @@ Calcite 0.00 -11.07 -11.07 9.988e+00 9.988e+00 -2.760e-04 pH = 4.663 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 668794 + Specific Conductance (µS/cm, 200°C) = 665051 Density (g/cm³) = 1.01146 Volume (L) = 1.19368 - Viscosity (mPa s) = 0.21502 + Viscosity (mPa s) = 0.21667 Activity of water = 0.886 Ionic strength (mol/kgw) = 3.037e+00 Mass of water (kg) = 9.998e-01 diff --git a/mytest/cc_Malin_101.sel b/mytest/cc_Malin_101.sel index d4876add7..bdb0bffc0 100644 --- a/mytest/cc_Malin_101.sel +++ b/mytest/cc_Malin_101.sel @@ -1,13 +1,13 @@ Mu SC - 3.000004443553 705638.4075932009 - 3.002049280943 705930.4705094387 - 3.019050845544 703057.6423214029 - 3.023955109536 699350.4703312985 - 3.027186740825 695539.9294646082 - 3.029610712879 691697.1506471293 - 3.031539075525 687847.7063787133 - 3.033125209472 684004.0402820712 - 3.034457598636 680173.2077131330 - 3.035592667689 676359.5944900577 - 3.036568973340 672566.0951281229 - 3.037414234286 668794.6980880740 + 3.000004443553 705638.1525059066 + 3.002049280943 705892.2341056215 + 3.019050845544 702690.6711064682 + 3.023955109536 698588.4122439760 + 3.027186740825 694383.8013223483 + 3.029610712879 690151.4667166461 + 3.031539075525 685918.4145194991 + 3.033125209472 681697.7921018364 + 3.034457598636 677497.0103753860 + 3.035592667689 673320.6181893216 + 3.036568973340 669171.5572034207 + 3.037414234286 665051.7895875621 diff --git a/mytest/cc_P.out b/mytest/cc_P.out index cebb4da45..673a90ef0 100644 --- a/mytest/cc_P.out +++ b/mytest/cc_P.out @@ -211,7 +211,7 @@ Calcite 0.00 -8.43 -8.43 1.000e+01 1.000e+01 -1.293e-04 Specific Conductance (µS/cm, 25°C) = 37 Density (g/cm³) = 0.99942 Volume (L) = 1.00059 - Viscosity (mPa s) = 0.88972 + Viscosity (mPa s) = 0.88973 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.055e-04 Mass of water (kg) = 1.000e+00 @@ -294,7 +294,7 @@ Calcite 0.00 -8.37 -8.37 1.000e+01 1.000e+01 -1.358e-04 Specific Conductance (µS/cm, 25°C) = 39 Density (g/cm³) = 1.00177 Volume (L) = 0.99825 - Viscosity (mPa s) = 0.88914 + Viscosity (mPa s) = 0.88915 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.261e-04 Mass of water (kg) = 1.000e+00 @@ -460,7 +460,7 @@ Calcite -0.00 -8.27 -8.27 1.000e+01 1.000e+01 -1.496e-04 Specific Conductance (µS/cm, 25°C) = 43 Density (g/cm³) = 1.00642 Volume (L) = 0.99363 - Viscosity (mPa s) = 0.88825 + Viscosity (mPa s) = 0.88826 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.688e-04 Mass of water (kg) = 1.000e+00 @@ -958,7 +958,7 @@ Calcite -0.00 -8.00 -8.00 1.000e+01 1.000e+01 -1.963e-04 Specific Conductance (µS/cm, 25°C) = 56 Density (g/cm³) = 1.01986 Volume (L) = 0.98055 - Viscosity (mPa s) = 0.88784 + Viscosity (mPa s) = 0.88785 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.103e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/cc_P0_101.sel b/mytest/cc_P0_101.sel index c24469f57..873976854 100644 --- a/mytest/cc_P0_101.sel +++ b/mytest/cc_P0_101.sel @@ -1,42 +1,42 @@ Mu SC 0.000000100644 0.0547821292 - 0.040224201785 1134.5269866691 - 0.032882110076 1371.6055288981 - 0.026517550880 1521.9349053626 - 0.021146502437 1587.5655124342 - 0.016706565369 1579.8027549357 - 0.013095731694 1514.1669738473 - 0.010197508211 1407.1325907150 - 0.007896117493 1274.0945910650 - 0.006084846603 1128.2179344197 - 0.004670289223 979.9978590994 - 0.003572579069 837.0820091627 - 0.002725173328 704.5419530913 - 0.002074054509 585.3704516641 - 0.001575782239 480.8966028031 - 0.001195815251 391.2466969456 - 0.000906942438 315.8099159205 - 0.000687894714 255.0299850124 - 0.000522160399 199.5170237839 - 0.000396999424 158.4676864262 - 0.000302638094 125.1162501888 - 0.040223913400 1133.0783670377 - 0.032881525476 1368.8853901836 - 0.026516528595 1517.4785243655 - 0.021144891671 1580.9774316555 - 0.016704219954 1570.8190344520 - 0.013092523026 1502.6937512410 - 0.010193335959 1393.2567520673 - 0.007890917364 1258.0687613093 - 0.006078594982 1110.4263905707 - 0.004663017226 960.9272707776 - 0.003564367063 817.2641209958 - 0.002716135124 684.4949681654 - 0.002064338656 565.5731846099 - 0.001565563868 461.7625914893 - 0.001185286494 373.1081917688 - 0.000896302043 298.9080124819 - 0.000677337642 239.4410431948 - 0.000511868173 185.6156284782 - 0.000387131923 146.0593772912 - 0.000293327384 114.1966957173 + 0.040224201785 1114.6389863768 + 0.032882110076 1351.2961491999 + 0.026517550880 1501.7264453721 + 0.021146502437 1568.1908005874 + 0.016706565369 1561.8710267237 + 0.013095731694 1498.0837250486 + 0.010197508211 1393.1140096735 + 0.007896117493 1262.2033631309 + 0.006084846603 1118.3984199438 + 0.004670289223 972.1063941998 + 0.003572579069 830.9163754745 + 0.002725173328 699.8695384130 + 0.002074054509 581.9531045150 + 0.001575782239 478.5152937239 + 0.001195815251 389.7328442549 + 0.000906942438 315.1392754029 + 0.000687894714 256.9072930379 + 0.000522160399 197.8895716807 + 0.000396999424 157.7845939043 + 0.000302638094 124.7553253594 + 0.040223913400 1113.1806758614 + 0.032881525476 1348.5637857180 + 0.026516528595 1497.2561284452 + 0.021144891671 1561.5894623237 + 0.016704219954 1552.8781409355 + 0.013092523026 1486.6091200537 + 0.010193335959 1379.2477681497 + 0.007890917364 1246.2001102336 + 0.006078594982 1100.6427156778 + 0.004663017226 953.0832235452 + 0.003564367063 811.1540576141 + 0.002716135124 679.8817302593 + 0.002064338656 562.2136703716 + 0.001565563868 459.4330140636 + 0.001185286494 371.6353228616 + 0.000896302043 298.2600584542 + 0.000677337642 241.2414534009 + 0.000511868173 184.0464923992 + 0.000387131923 145.4045658210 + 0.000293327384 113.8517614185 diff --git a/mytest/cc_P2.out b/mytest/cc_P2.out index e0bd6ed92..ec1b87426 100644 --- a/mytest/cc_P2.out +++ b/mytest/cc_P2.out @@ -170,7 +170,7 @@ Calcite 0.00 -9.61 -9.61 1.000e+01 1.000e+01 -1.384e-04 Specific Conductance (µS/cm, 100°C) = 119 Density (g/cm³) = 0.95836 Volume (L) = 1.04284 - Viscosity (mPa s) = 0.28179 + Viscosity (mPa s) = 0.28181 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.068e-04 Mass of water (kg) = 9.994e-01 @@ -279,10 +279,10 @@ Calcite -0.00 -9.61 -9.61 1.000e+01 9.998e+00 -1.733e-03 pH = 5.896 Charge balance pe = 6.939 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1081 + Specific Conductance (µS/cm, 100°C) = 1071 Density (g/cm³) = 0.95866 Volume (L) = 1.04331 - Viscosity (mPa s) = 0.28274 + Viscosity (mPa s) = 0.28745 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.610e-03 Mass of water (kg) = 9.994e-01 @@ -391,10 +391,10 @@ Calcite -0.00 -9.61 -9.61 9.998e+00 9.998e+00 -5.440e-04 pH = 5.698 Charge balance pe = 7.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1382 + Specific Conductance (µS/cm, 100°C) = 1364 Density (g/cm³) = 0.95892 Volume (L) = 1.04365 - Viscosity (mPa s) = 0.28308 + Viscosity (mPa s) = 0.28977 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.244e-03 Mass of water (kg) = 9.994e-01 @@ -503,10 +503,10 @@ Calcite -0.00 -9.61 -9.61 9.998e+00 9.997e+00 -3.877e-04 pH = 5.584 Charge balance pe = 7.235 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1593 + Specific Conductance (µS/cm, 100°C) = 1569 Density (g/cm³) = 0.95910 Volume (L) = 1.04404 - Viscosity (mPa s) = 0.28330 + Viscosity (mPa s) = 0.29141 Activity of water = 0.999 Ionic strength (mol/kgw) = 8.409e-03 Mass of water (kg) = 9.993e-01 @@ -615,10 +615,10 @@ Calcite -0.00 -9.61 -9.61 9.997e+00 9.997e+00 -3.116e-04 pH = 5.503 Charge balance pe = 0.212 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 1762 + Specific Conductance (µS/cm, 100°C) = 1732 Density (g/cm³) = 0.95927 Volume (L) = 1.04443 - Viscosity (mPa s) = 0.28348 + Viscosity (mPa s) = 0.29274 Activity of water = 0.999 Ionic strength (mol/kgw) = 9.345e-03 Mass of water (kg) = 9.993e-01 @@ -727,10 +727,10 @@ Calcite -0.00 -9.61 -9.61 9.997e+00 9.996e+00 -4.970e-04 pH = 5.392 Charge balance pe = 0.553 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 2027 + Specific Conductance (µS/cm, 100°C) = 1986 Density (g/cm³) = 0.95959 Volume (L) = 1.04520 - Viscosity (mPa s) = 0.28378 + Viscosity (mPa s) = 0.29485 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.084e-02 Mass of water (kg) = 9.993e-01 @@ -839,10 +839,10 @@ Calcite -0.00 -9.60 -9.60 9.996e+00 9.996e+00 -3.977e-04 pH = 5.313 Charge balance pe = 7.545 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 2237 + Specific Conductance (µS/cm, 100°C) = 2186 Density (g/cm³) = 0.95990 Volume (L) = 1.04595 - Viscosity (mPa s) = 0.28403 + Viscosity (mPa s) = 0.29656 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.203e-02 Mass of water (kg) = 9.993e-01 @@ -951,10 +951,10 @@ Calcite -0.00 -9.60 -9.60 9.996e+00 9.996e+00 -3.363e-04 pH = 5.254 Charge balance pe = 7.416 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 2412 + Specific Conductance (µS/cm, 100°C) = 2352 Density (g/cm³) = 0.96019 Volume (L) = 1.04668 - Viscosity (mPa s) = 0.28425 + Viscosity (mPa s) = 0.29801 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.304e-02 Mass of water (kg) = 9.993e-01 @@ -1063,10 +1063,10 @@ Calcite 0.00 -9.60 -9.60 9.996e+00 9.995e+00 -2.936e-04 pH = 5.206 Charge balance pe = 0.420 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 2563 + Specific Conductance (µS/cm, 100°C) = 2495 Density (g/cm³) = 0.96048 Volume (L) = 1.04741 - Viscosity (mPa s) = 0.28444 + Viscosity (mPa s) = 0.29929 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.393e-02 Mass of water (kg) = 9.993e-01 @@ -1175,10 +1175,10 @@ Calcite 0.00 -9.60 -9.60 9.995e+00 9.995e+00 -2.619e-04 pH = 5.165 Charge balance pe = 7.677 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 2697 + Specific Conductance (µS/cm, 100°C) = 2621 Density (g/cm³) = 0.96075 Volume (L) = 1.04811 - Viscosity (mPa s) = 0.28462 + Viscosity (mPa s) = 0.30044 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.471e-02 Mass of water (kg) = 9.992e-01 @@ -1287,10 +1287,10 @@ Calcite -0.00 -9.59 -9.59 9.995e+00 9.994e+00 -6.543e-04 pH = 5.075 Charge balance pe = 7.878 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 3026 + Specific Conductance (µS/cm, 100°C) = 2928 Density (g/cm³) = 0.96155 Volume (L) = 1.05014 - Viscosity (mPa s) = 0.28508 + Viscosity (mPa s) = 0.30334 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.668e-02 Mass of water (kg) = 9.992e-01 @@ -1399,10 +1399,10 @@ Calcite -0.00 -9.59 -9.59 9.994e+00 9.994e+00 -5.238e-04 pH = 5.011 Charge balance pe = 7.972 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 3283 + Specific Conductance (µS/cm, 100°C) = 3166 Density (g/cm³) = 0.96229 Volume (L) = 1.05204 - Viscosity (mPa s) = 0.28547 + Viscosity (mPa s) = 0.30571 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.826e-02 Mass of water (kg) = 9.991e-01 @@ -1511,10 +1511,10 @@ Calcite -0.00 -9.58 -9.58 9.994e+00 9.993e+00 -4.383e-04 pH = 4.962 Charge balance pe = 7.937 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 3494 + Specific Conductance (µS/cm, 100°C) = 3361 Density (g/cm³) = 0.96300 Volume (L) = 1.05380 - Viscosity (mPa s) = 0.28582 + Viscosity (mPa s) = 0.30772 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.957e-02 Mass of water (kg) = 9.991e-01 @@ -1623,10 +1623,10 @@ Calcite -0.00 -9.58 -9.58 9.993e+00 9.993e+00 -3.769e-04 pH = 4.923 Charge balance pe = 8.011 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 3672 + Specific Conductance (µS/cm, 100°C) = 3524 Density (g/cm³) = 0.96367 Volume (L) = 1.05545 - Viscosity (mPa s) = 0.28613 + Viscosity (mPa s) = 0.30948 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.071e-02 Mass of water (kg) = 9.990e-01 @@ -1735,10 +1735,10 @@ Calcite -0.00 -9.57 -9.57 9.993e+00 9.993e+00 -3.301e-04 pH = 4.891 Charge balance pe = 8.054 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 3825 + Specific Conductance (µS/cm, 100°C) = 3664 Density (g/cm³) = 0.96430 Volume (L) = 1.05698 - Viscosity (mPa s) = 0.28641 + Viscosity (mPa s) = 0.31104 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.170e-02 Mass of water (kg) = 9.990e-01 @@ -1847,10 +1847,10 @@ Calcite -0.00 -9.57 -9.57 9.993e+00 9.992e+00 -2.930e-04 pH = 4.864 Charge balance pe = 0.586 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 3960 + Specific Conductance (µS/cm, 100°C) = 3785 Density (g/cm³) = 0.96491 Volume (L) = 1.05840 - Viscosity (mPa s) = 0.28668 + Viscosity (mPa s) = 0.31244 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.258e-02 Mass of water (kg) = 9.989e-01 @@ -1959,10 +1959,10 @@ Calcite -0.00 -9.56 -9.56 9.992e+00 9.992e+00 -2.627e-04 pH = 4.841 Charge balance pe = 0.467 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 4078 + Specific Conductance (µS/cm, 100°C) = 3893 Density (g/cm³) = 0.96548 Volume (L) = 1.05971 - Viscosity (mPa s) = 0.28692 + Viscosity (mPa s) = 0.31371 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.337e-02 Mass of water (kg) = 9.989e-01 @@ -2071,10 +2071,10 @@ Calcite -0.00 -9.56 -9.56 9.992e+00 9.992e+00 -2.375e-04 pH = 4.822 Charge balance pe = 0.491 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 4185 + Specific Conductance (µS/cm, 100°C) = 3988 Density (g/cm³) = 0.96603 Volume (L) = 1.06092 - Viscosity (mPa s) = 0.28714 + Viscosity (mPa s) = 0.31487 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.409e-02 Mass of water (kg) = 9.988e-01 diff --git a/mytest/cc_P2_101.sel b/mytest/cc_P2_101.sel index 4d5043666..8403a21ec 100644 --- a/mytest/cc_P2_101.sel +++ b/mytest/cc_P2_101.sel @@ -1,20 +1,20 @@ Mu SC - 0.000000760967 0.7555719835 - 0.000406849242 119.8781620045 - 0.005609814328 1081.6393342443 - 0.007243860193 1382.4225369928 - 0.008408577884 1593.9802241993 - 0.009344591006 1762.3140904246 - 0.010837717378 2027.7092819323 - 0.012032770424 2237.2812959447 - 0.013043398780 2412.4675832344 - 0.013925945488 2563.8647093459 - 0.014713063817 2697.6015730144 - 0.016680151238 3026.2580474600 - 0.018255086675 3283.3587468821 - 0.019573365560 3494.2160700499 - 0.020707208977 3672.2970643268 - 0.021700549960 3825.7722924042 - 0.022582532584 3960.0400165184 - 0.023373720721 4078.8873175918 - 0.024089313510 4185.0920783827 + 0.000000760967 0.7555719569 + 0.000406849242 119.8759048386 + 0.005609814328 1071.9219366940 + 0.007243860193 1364.9666068224 + 0.008408577884 1569.7867795642 + 0.009344591006 1732.0033496277 + 0.010837717378 1986.3934328966 + 0.012032770424 2186.0927957940 + 0.013043398780 2352.2181980068 + 0.013925945488 2495.1857206059 + 0.014713063817 2621.0090208321 + 0.016680151238 2928.3220466792 + 0.018255086675 3166.7996896839 + 0.019573365560 3361.0799864515 + 0.020707208977 3524.2181295116 + 0.021700549960 3664.1038369177 + 0.022582532584 3785.9296593711 + 0.023373720721 3893.3242794921 + 0.024089313510 3988.9390472092 diff --git a/mytest/cc_P3.out b/mytest/cc_P3.out index 8a5e2b788..957016f85 100644 --- a/mytest/cc_P3.out +++ b/mytest/cc_P3.out @@ -155,10 +155,10 @@ Calcite -0.00 -8.38 -8.38 1.000e+01 9.969e+00 -3.097e-02 pH = 5.429 Charge balance pe = 0.118 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 2471 + Specific Conductance (µS/cm, 1°C) = 2280 Density (g/cm³) = 1.01171 Volume (L) = 1.02223 - Viscosity (mPa s) = 1.77444 + Viscosity (mPa s) = 2.05158 Activity of water = 0.987 Ionic strength (mol/kgw) = 9.296e-02 Mass of water (kg) = 9.994e-01 @@ -254,10 +254,10 @@ Calcite -0.00 -8.39 -8.39 1.000e+01 9.972e+00 -2.815e-02 pH = 5.413 Charge balance pe = 0.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 7°C) = 2753 + Specific Conductance (µS/cm, 7°C) = 2575 Density (g/cm³) = 1.00973 Volume (L) = 1.01823 - Viscosity (mPa s) = 1.47304 + Viscosity (mPa s) = 1.66273 Activity of water = 0.989 Ionic strength (mol/kgw) = 8.447e-02 Mass of water (kg) = 9.995e-01 @@ -353,10 +353,10 @@ Calcite -0.00 -8.40 -8.40 1.000e+01 9.975e+00 -2.548e-02 pH = 5.399 Charge balance pe = 0.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 12°C) = 2991 + Specific Conductance (µS/cm, 12°C) = 2822 Density (g/cm³) = 1.00774 Volume (L) = 1.01568 - Viscosity (mPa s) = 1.24587 + Viscosity (mPa s) = 1.38392 Activity of water = 0.991 Ionic strength (mol/kgw) = 7.646e-02 Mass of water (kg) = 9.995e-01 @@ -452,10 +452,10 @@ Calcite -0.00 -8.43 -8.43 1.000e+01 9.977e+00 -2.298e-02 pH = 5.387 Charge balance pe = 0.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 18°C) = 3183 + Specific Conductance (µS/cm, 18°C) = 3022 Density (g/cm³) = 1.00566 Volume (L) = 1.01425 - Viscosity (mPa s) = 1.06998 + Viscosity (mPa s) = 1.17545 Activity of water = 0.992 Ionic strength (mol/kgw) = 6.897e-02 Mass of water (kg) = 9.996e-01 @@ -551,10 +551,10 @@ Calcite -0.00 -8.46 -8.46 1.000e+01 9.979e+00 -2.067e-02 pH = 5.376 Charge balance pe = 0.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 24°C) = 3327 + Specific Conductance (µS/cm, 24°C) = 3173 Density (g/cm³) = 1.00346 Volume (L) = 1.01368 - Viscosity (mPa s) = 0.93074 + Viscosity (mPa s) = 1.01440 Activity of water = 0.993 Ionic strength (mol/kgw) = 6.202e-02 Mass of water (kg) = 9.996e-01 @@ -650,10 +650,10 @@ Calcite -0.00 -8.51 -8.51 1.000e+01 9.981e+00 -1.853e-02 pH = 5.367 Charge balance pe = 0.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 3425 + Specific Conductance (µS/cm, 30°C) = 3277 Density (g/cm³) = 1.00111 Volume (L) = 1.01382 - Viscosity (mPa s) = 0.81845 + Viscosity (mPa s) = 0.88672 Activity of water = 0.994 Ionic strength (mol/kgw) = 5.561e-02 Mass of water (kg) = 9.997e-01 @@ -749,10 +749,10 @@ Calcite -0.00 -8.56 -8.56 1.000e+01 9.983e+00 -1.658e-02 pH = 5.358 Charge balance pe = 0.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 3479 + Specific Conductance (µS/cm, 35°C) = 3339 Density (g/cm³) = 0.99861 Volume (L) = 1.01454 - Viscosity (mPa s) = 0.72646 + Viscosity (mPa s) = 0.78336 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.973e-02 Mass of water (kg) = 9.997e-01 @@ -848,10 +848,10 @@ Calcite -0.00 -8.62 -8.62 1.000e+01 9.985e+00 -1.479e-02 pH = 5.351 Charge balance pe = 0.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 41°C) = 3494 + Specific Conductance (µS/cm, 41°C) = 3360 Density (g/cm³) = 0.99596 Volume (L) = 1.01575 - Viscosity (mPa s) = 0.65007 + Viscosity (mPa s) = 0.69828 Activity of water = 0.996 Ionic strength (mol/kgw) = 4.436e-02 Mass of water (kg) = 9.997e-01 @@ -947,10 +947,10 @@ Calcite -0.00 -8.69 -8.69 1.000e+01 9.987e+00 -1.316e-02 pH = 5.344 Charge balance pe = 0.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 47°C) = 3473 + Specific Conductance (µS/cm, 47°C) = 3346 Density (g/cm³) = 0.99314 Volume (L) = 1.01738 - Viscosity (mPa s) = 0.58591 + Viscosity (mPa s) = 0.62725 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.949e-02 Mass of water (kg) = 9.998e-01 @@ -1046,10 +1046,10 @@ Calcite -0.00 -8.76 -8.76 1.000e+01 9.988e+00 -1.170e-02 pH = 5.337 Charge balance pe = 0.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 53°C) = 3420 + Specific Conductance (µS/cm, 53°C) = 3300 Density (g/cm³) = 0.99017 Volume (L) = 1.01939 - Viscosity (mPa s) = 0.53146 + Viscosity (mPa s) = 0.56726 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.508e-02 Mass of water (kg) = 9.998e-01 @@ -1145,10 +1145,10 @@ Calcite -0.00 -8.84 -8.84 1.000e+01 9.990e+00 -1.037e-02 pH = 5.331 Charge balance pe = 0.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 58°C) = 3339 + Specific Conductance (µS/cm, 58°C) = 3228 Density (g/cm³) = 0.98705 Volume (L) = 1.02173 - Viscosity (mPa s) = 0.48485 + Viscosity (mPa s) = 0.51609 Activity of water = 0.997 Ionic strength (mol/kgw) = 3.111e-02 Mass of water (kg) = 9.998e-01 @@ -1244,10 +1244,10 @@ Calcite -0.00 -8.93 -8.93 1.000e+01 9.991e+00 -9.181e-03 pH = 5.325 Charge balance pe = 0.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 64°C) = 3235 + Specific Conductance (µS/cm, 64°C) = 3132 Density (g/cm³) = 0.98377 Volume (L) = 1.02438 - Viscosity (mPa s) = 0.44464 + Viscosity (mPa s) = 0.47205 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.754e-02 Mass of water (kg) = 9.998e-01 @@ -1343,10 +1343,10 @@ Calcite -0.00 -9.03 -9.03 1.000e+01 9.992e+00 -8.114e-03 pH = 5.319 Charge balance pe = 0.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 3113 + Specific Conductance (µS/cm, 70°C) = 3018 Density (g/cm³) = 0.98035 Volume (L) = 1.02731 - Viscosity (mPa s) = 0.40970 + Viscosity (mPa s) = 0.43387 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.434e-02 Mass of water (kg) = 9.998e-01 @@ -1442,10 +1442,10 @@ Calcite -0.00 -9.12 -9.12 1.000e+01 9.993e+00 -7.161e-03 pH = 5.313 Charge balance pe = 0.143 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 76°C) = 2976 + Specific Conductance (µS/cm, 76°C) = 2889 Density (g/cm³) = 0.97678 Volume (L) = 1.03051 - Viscosity (mPa s) = 0.37915 + Viscosity (mPa s) = 0.40053 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.148e-02 Mass of water (kg) = 9.998e-01 @@ -1541,10 +1541,10 @@ Calcite -0.00 -9.23 -9.23 1.000e+01 9.994e+00 -6.312e-03 pH = 5.308 Charge balance pe = 0.149 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 81°C) = 2828 + Specific Conductance (µS/cm, 81°C) = 2749 Density (g/cm³) = 0.97307 Volume (L) = 1.03396 - Viscosity (mPa s) = 0.35229 + Viscosity (mPa s) = 0.37126 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.893e-02 Mass of water (kg) = 9.999e-01 @@ -1640,10 +1640,10 @@ Calcite -0.00 -9.34 -9.34 1.000e+01 9.994e+00 -5.556e-03 pH = 5.302 Charge balance pe = 0.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 87°C) = 2672 + Specific Conductance (µS/cm, 87°C) = 2601 Density (g/cm³) = 0.96922 Volume (L) = 1.03766 - Viscosity (mPa s) = 0.32854 + Viscosity (mPa s) = 0.34542 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.666e-02 Mass of water (kg) = 9.999e-01 @@ -1739,10 +1739,10 @@ Calcite -0.00 -9.45 -9.45 1.000e+01 9.995e+00 -4.885e-03 pH = 5.296 Charge balance pe = 0.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 93°C) = 2512 + Specific Conductance (µS/cm, 93°C) = 2448 Density (g/cm³) = 0.96523 Volume (L) = 1.04158 - Viscosity (mPa s) = 0.30745 + Viscosity (mPa s) = 0.32249 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.465e-02 Mass of water (kg) = 9.999e-01 @@ -1838,10 +1838,10 @@ Calcite -0.00 -9.57 -9.57 1.000e+01 9.996e+00 -4.291e-03 pH = 5.290 Charge balance pe = 0.137 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 99°C) = 2350 + Specific Conductance (µS/cm, 99°C) = 2294 Density (g/cm³) = 0.96110 Volume (L) = 1.04574 - Viscosity (mPa s) = 0.28862 + Viscosity (mPa s) = 0.30204 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.287e-02 Mass of water (kg) = 9.999e-01 @@ -1937,10 +1937,10 @@ Calcite -0.00 -9.70 -9.70 1.000e+01 9.996e+00 -3.765e-03 pH = 5.284 Charge balance pe = 0.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 104°C) = 2189 + Specific Conductance (µS/cm, 104°C) = 2139 Density (g/cm³) = 0.95683 Volume (L) = 1.05012 - Viscosity (mPa s) = 0.27176 + Viscosity (mPa s) = 0.28374 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.129e-02 Mass of water (kg) = 9.999e-01 @@ -2036,10 +2036,10 @@ Calcite -0.00 -9.82 -9.82 1.000e+01 9.997e+00 -3.301e-03 pH = 5.278 Charge balance pe = 0.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 110°C) = 2030 + Specific Conductance (µS/cm, 110°C) = 1986 Density (g/cm³) = 0.95243 Volume (L) = 1.05473 - Viscosity (mPa s) = 0.25659 + Viscosity (mPa s) = 0.26730 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.901e-03 Mass of water (kg) = 9.999e-01 @@ -2138,10 +2138,10 @@ Calcite -0.00 -8.38 -8.38 1.000e+01 9.961e+00 -3.934e-02 pH = 5.257 Charge balance pe = 16.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 2968 + Specific Conductance (µS/cm, 1°C) = 2622 Density (g/cm³) = 1.01881 Volume (L) = 1.04201 - Viscosity (mPa s) = 1.78517 + Viscosity (mPa s) = 2.25015 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.181e-01 Mass of water (kg) = 9.993e-01 @@ -2222,10 +2222,10 @@ Calcite 0.00 -8.39 -8.39 1.000e+01 9.964e+00 -3.585e-02 pH = 5.239 Charge balance pe = 0.289 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 7°C) = 3337 + Specific Conductance (µS/cm, 7°C) = 3014 Density (g/cm³) = 1.01555 Volume (L) = 1.03466 - Viscosity (mPa s) = 1.48167 + Viscosity (mPa s) = 1.78968 Activity of water = 0.981 Ionic strength (mol/kgw) = 1.076e-01 Mass of water (kg) = 9.994e-01 @@ -2306,10 +2306,10 @@ Calcite -0.00 -8.40 -8.40 1.000e+01 9.967e+00 -3.252e-02 pH = 5.223 Charge balance pe = 0.874 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 12°C) = 3652 + Specific Conductance (µS/cm, 12°C) = 3350 Density (g/cm³) = 1.01258 Volume (L) = 1.02955 - Viscosity (mPa s) = 1.25291 + Viscosity (mPa s) = 1.47004 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.762e-02 Mass of water (kg) = 9.994e-01 @@ -2390,10 +2390,10 @@ Calcite 0.00 -8.43 -8.43 1.000e+01 9.971e+00 -2.940e-02 pH = 5.210 Charge balance pe = 0.355 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 18°C) = 3909 + Specific Conductance (µS/cm, 18°C) = 3625 Density (g/cm³) = 1.00975 Volume (L) = 1.02612 - Viscosity (mPa s) = 1.07578 + Viscosity (mPa s) = 1.23701 Activity of water = 0.986 Ionic strength (mol/kgw) = 8.823e-02 Mass of water (kg) = 9.995e-01 @@ -2474,10 +2474,10 @@ Calcite 0.00 -8.46 -8.46 1.000e+01 9.974e+00 -2.648e-02 pH = 5.198 Charge balance pe = 0.366 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 24°C) = 4106 + Specific Conductance (µS/cm, 24°C) = 3838 Density (g/cm³) = 1.00696 Volume (L) = 1.02400 - Viscosity (mPa s) = 0.93557 + Viscosity (mPa s) = 1.06038 Activity of water = 0.988 Ionic strength (mol/kgw) = 7.947e-02 Mass of water (kg) = 9.995e-01 @@ -2558,10 +2558,10 @@ Calcite 0.00 -8.51 -8.51 1.000e+01 9.976e+00 -2.378e-02 pH = 5.187 Charge balance pe = 0.357 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 4245 + Specific Conductance (µS/cm, 30°C) = 3990 Density (g/cm³) = 1.00413 Volume (L) = 1.02290 - Viscosity (mPa s) = 0.82249 + Viscosity (mPa s) = 0.92234 Activity of water = 0.990 Ionic strength (mol/kgw) = 7.135e-02 Mass of water (kg) = 9.996e-01 @@ -2642,10 +2642,10 @@ Calcite -0.00 -8.56 -8.56 1.000e+01 9.979e+00 -2.129e-02 pH = 5.178 Charge balance pe = 0.348 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 4327 + Specific Conductance (µS/cm, 35°C) = 4086 Density (g/cm³) = 1.00125 Volume (L) = 1.02262 - Viscosity (mPa s) = 0.72985 + Viscosity (mPa s) = 0.81177 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.388e-02 Mass of water (kg) = 9.996e-01 @@ -2726,10 +2726,10 @@ Calcite -0.00 -8.62 -8.62 1.000e+01 9.981e+00 -1.901e-02 pH = 5.169 Charge balance pe = 0.360 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 41°C) = 4358 + Specific Conductance (µS/cm, 41°C) = 4130 Density (g/cm³) = 0.99827 Volume (L) = 1.02303 - Viscosity (mPa s) = 0.65294 + Viscosity (mPa s) = 0.72145 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.704e-02 Mass of water (kg) = 9.997e-01 @@ -2810,10 +2810,10 @@ Calcite -0.00 -8.69 -8.69 1.000e+01 9.983e+00 -1.694e-02 pH = 5.161 Charge balance pe = 0.355 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 47°C) = 4342 + Specific Conductance (µS/cm, 47°C) = 4128 Density (g/cm³) = 0.99519 Volume (L) = 1.02400 - Viscosity (mPa s) = 0.58834 + Viscosity (mPa s) = 0.64650 Activity of water = 0.993 Ionic strength (mol/kgw) = 5.081e-02 Mass of water (kg) = 9.997e-01 @@ -2894,10 +2894,10 @@ Calcite -0.00 -8.76 -8.76 1.000e+01 9.985e+00 -1.505e-02 pH = 5.154 Charge balance pe = 11.876 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 53°C) = 4284 + Specific Conductance (µS/cm, 53°C) = 4084 Density (g/cm³) = 0.99199 Volume (L) = 1.02547 - Viscosity (mPa s) = 0.53353 + Viscosity (mPa s) = 0.58346 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.517e-02 Mass of water (kg) = 9.997e-01 @@ -2978,10 +2978,10 @@ Calcite -0.00 -8.84 -8.84 1.000e+01 9.987e+00 -1.336e-02 pH = 5.147 Charge balance pe = 0.339 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 58°C) = 4191 + Specific Conductance (µS/cm, 58°C) = 4004 Density (g/cm³) = 0.98867 Volume (L) = 1.02736 - Viscosity (mPa s) = 0.48662 + Viscosity (mPa s) = 0.52986 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.007e-02 Mass of water (kg) = 9.998e-01 @@ -3062,10 +3062,10 @@ Calcite 0.00 -8.93 -8.93 1.000e+01 9.988e+00 -1.183e-02 pH = 5.140 Charge balance pe = 0.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 64°C) = 4066 + Specific Conductance (µS/cm, 64°C) = 3894 Density (g/cm³) = 0.98523 Volume (L) = 1.02964 - Viscosity (mPa s) = 0.44615 + Viscosity (mPa s) = 0.48385 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.548e-02 Mass of water (kg) = 9.998e-01 @@ -3146,10 +3146,10 @@ Calcite 0.00 -9.03 -9.03 1.000e+01 9.990e+00 -1.045e-02 pH = 5.133 Charge balance pe = 0.344 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 3917 + Specific Conductance (µS/cm, 70°C) = 3759 Density (g/cm³) = 0.98166 Volume (L) = 1.03227 - Viscosity (mPa s) = 0.41099 + Viscosity (mPa s) = 0.44404 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.136e-02 Mass of water (kg) = 9.998e-01 @@ -3230,10 +3230,10 @@ Calcite 0.00 -9.12 -9.12 1.000e+01 9.991e+00 -9.227e-03 pH = 5.127 Charge balance pe = 0.331 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 76°C) = 3749 + Specific Conductance (µS/cm, 76°C) = 3604 Density (g/cm³) = 0.97796 Volume (L) = 1.03522 - Viscosity (mPa s) = 0.38025 + Viscosity (mPa s) = 0.40935 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.768e-02 Mass of water (kg) = 9.998e-01 @@ -3314,10 +3314,10 @@ Calcite -0.00 -9.23 -9.23 1.000e+01 9.992e+00 -8.132e-03 pH = 5.120 Charge balance pe = 0.337 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 81°C) = 3565 + Specific Conductance (µS/cm, 81°C) = 3434 Density (g/cm³) = 0.97413 Volume (L) = 1.03846 - Viscosity (mPa s) = 0.35322 + Viscosity (mPa s) = 0.37893 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.439e-02 Mass of water (kg) = 9.999e-01 @@ -3398,10 +3398,10 @@ Calcite 0.00 -9.34 -9.34 1.000e+01 9.993e+00 -7.157e-03 pH = 5.114 Charge balance pe = 0.335 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 87°C) = 3371 + Specific Conductance (µS/cm, 87°C) = 3254 Density (g/cm³) = 0.97017 Volume (L) = 1.04199 - Viscosity (mPa s) = 0.32933 + Viscosity (mPa s) = 0.35210 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.147e-02 Mass of water (kg) = 9.999e-01 @@ -3482,10 +3482,10 @@ Calcite 0.00 -9.45 -9.45 1.000e+01 9.994e+00 -6.291e-03 pH = 5.107 Charge balance pe = 0.334 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 93°C) = 3171 + Specific Conductance (µS/cm, 93°C) = 3066 Density (g/cm³) = 0.96609 Volume (L) = 1.04579 - Viscosity (mPa s) = 0.30812 + Viscosity (mPa s) = 0.32832 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.887e-02 Mass of water (kg) = 9.999e-01 @@ -3566,10 +3566,10 @@ Calcite 0.00 -9.57 -9.57 1.000e+01 9.994e+00 -5.524e-03 pH = 5.100 Charge balance pe = 0.327 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 99°C) = 2968 + Specific Conductance (µS/cm, 99°C) = 2875 Density (g/cm³) = 0.96187 Volume (L) = 1.04985 - Viscosity (mPa s) = 0.28919 + Viscosity (mPa s) = 0.30713 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.657e-02 Mass of water (kg) = 9.999e-01 @@ -3650,10 +3650,10 @@ Calcite 0.00 -9.70 -9.70 1.000e+01 9.995e+00 -4.845e-03 pH = 5.094 Charge balance pe = 0.329 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 104°C) = 2765 + Specific Conductance (µS/cm, 104°C) = 2683 Density (g/cm³) = 0.95752 Volume (L) = 1.05416 - Viscosity (mPa s) = 0.27223 + Viscosity (mPa s) = 0.28819 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.454e-02 Mass of water (kg) = 9.999e-01 @@ -3734,10 +3734,10 @@ Calcite 0.00 -9.83 -9.83 1.000e+01 9.996e+00 -4.246e-03 pH = 5.087 Charge balance pe = 0.335 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 110°C) = 2565 + Specific Conductance (µS/cm, 110°C) = 2493 Density (g/cm³) = 0.95304 Volume (L) = 1.05873 - Viscosity (mPa s) = 0.25697 + Viscosity (mPa s) = 0.27118 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.274e-02 Mass of water (kg) = 9.999e-01 @@ -3836,10 +3836,10 @@ Calcite 0.00 -8.38 -8.38 1.000e+01 9.952e+00 -4.786e-02 pH = 5.117 Charge balance pe = 16.316 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 1°C) = 3364 + Specific Conductance (µS/cm, 1°C) = 2823 Density (g/cm³) = 1.02838 Volume (L) = 1.07140 - Viscosity (mPa s) = 1.79579 + Viscosity (mPa s) = 2.52431 Activity of water = 0.961 Ionic strength (mol/kgw) = 1.437e-01 Mass of water (kg) = 9.991e-01 @@ -3920,10 +3920,10 @@ Calcite 0.00 -8.39 -8.39 1.000e+01 9.956e+00 -4.390e-02 pH = 5.094 Charge balance pe = 14.601 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 7°C) = 3836 + Specific Conductance (µS/cm, 7°C) = 3321 Density (g/cm³) = 1.02363 Volume (L) = 1.05979 - Viscosity (mPa s) = 1.49050 + Viscosity (mPa s) = 1.96521 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.318e-01 Mass of water (kg) = 9.992e-01 @@ -4004,10 +4004,10 @@ Calcite -0.00 -8.40 -8.40 1.000e+01 9.960e+00 -4.005e-02 pH = 5.075 Charge balance pe = 0.507 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 12°C) = 4247 + Specific Conductance (µS/cm, 12°C) = 3762 Density (g/cm³) = 1.01949 Volume (L) = 1.05129 - Viscosity (mPa s) = 1.26029 + Viscosity (mPa s) = 1.58828 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.202e-01 Mass of water (kg) = 9.993e-01 @@ -4088,10 +4088,10 @@ Calcite -0.00 -8.43 -8.43 1.000e+01 9.964e+00 -3.638e-02 pH = 5.058 Charge balance pe = 0.493 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 18°C) = 4590 + Specific Conductance (µS/cm, 18°C) = 4133 Density (g/cm³) = 1.01572 Volume (L) = 1.04517 - Viscosity (mPa s) = 1.08199 + Viscosity (mPa s) = 1.32049 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.092e-01 Mass of water (kg) = 9.993e-01 @@ -4172,10 +4172,10 @@ Calcite -0.00 -8.46 -8.46 1.000e+01 9.967e+00 -3.290e-02 pH = 5.043 Charge balance pe = 0.522 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 24°C) = 4861 + Specific Conductance (µS/cm, 24°C) = 4430 Density (g/cm³) = 1.01215 Volume (L) = 1.04086 - Viscosity (mPa s) = 0.94082 + Viscosity (mPa s) = 1.12183 Activity of water = 0.980 Ionic strength (mol/kgw) = 9.876e-02 Mass of water (kg) = 9.994e-01 @@ -4256,10 +4256,10 @@ Calcite 0.00 -8.51 -8.51 1.000e+01 9.970e+00 -2.965e-02 pH = 5.030 Charge balance pe = 0.549 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 5061 + Specific Conductance (µS/cm, 30°C) = 4654 Density (g/cm³) = 1.00870 Volume (L) = 1.03799 - Viscosity (mPa s) = 0.82695 + Viscosity (mPa s) = 0.96921 Activity of water = 0.982 Ionic strength (mol/kgw) = 8.899e-02 Mass of water (kg) = 9.995e-01 @@ -4340,10 +4340,10 @@ Calcite 0.00 -8.56 -8.56 1.000e+01 9.973e+00 -2.663e-02 pH = 5.018 Charge balance pe = 0.526 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 5191 + Specific Conductance (µS/cm, 35°C) = 4807 Density (g/cm³) = 1.00529 Volume (L) = 1.03627 - Viscosity (mPa s) = 0.73365 + Viscosity (mPa s) = 0.84862 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.993e-02 Mass of water (kg) = 9.995e-01 @@ -4424,10 +4424,10 @@ Calcite 0.00 -8.62 -8.62 1.000e+01 9.976e+00 -2.385e-02 pH = 5.007 Charge balance pe = 0.526 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 41°C) = 5255 + Specific Conductance (µS/cm, 41°C) = 4893 Density (g/cm³) = 1.00187 Volume (L) = 1.03548 - Viscosity (mPa s) = 0.65619 + Viscosity (mPa s) = 0.75115 Activity of water = 0.986 Ionic strength (mol/kgw) = 7.157e-02 Mass of water (kg) = 9.996e-01 @@ -4508,10 +4508,10 @@ Calcite -0.00 -8.69 -8.69 1.000e+01 9.979e+00 -2.130e-02 pH = 4.997 Charge balance pe = 0.509 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 47°C) = 5260 + Specific Conductance (µS/cm, 47°C) = 4920 Density (g/cm³) = 0.99842 Volume (L) = 1.03547 - Viscosity (mPa s) = 0.59112 + Viscosity (mPa s) = 0.67090 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.391e-02 Mass of water (kg) = 9.996e-01 @@ -4592,10 +4592,10 @@ Calcite 0.00 -8.76 -8.76 1.000e+01 9.981e+00 -1.897e-02 pH = 4.988 Charge balance pe = 0.363 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 53°C) = 5210 + Specific Conductance (µS/cm, 53°C) = 4893 Density (g/cm³) = 0.99490 Volume (L) = 1.03612 - Viscosity (mPa s) = 0.53592 + Viscosity (mPa s) = 0.60382 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.692e-02 Mass of water (kg) = 9.997e-01 @@ -4676,10 +4676,10 @@ Calcite 0.00 -8.84 -8.84 1.000e+01 9.983e+00 -1.686e-02 pH = 4.979 Charge balance pe = 0.496 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 58°C) = 5114 + Specific Conductance (µS/cm, 58°C) = 4819 Density (g/cm³) = 0.99131 Volume (L) = 1.03733 - Viscosity (mPa s) = 0.48867 + Viscosity (mPa s) = 0.54706 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.059e-02 Mass of water (kg) = 9.997e-01 @@ -4760,10 +4760,10 @@ Calcite 0.00 -8.93 -8.93 1.000e+01 9.985e+00 -1.495e-02 pH = 4.970 Charge balance pe = 0.520 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 64°C) = 4977 + Specific Conductance (µS/cm, 64°C) = 4704 Density (g/cm³) = 0.98762 Volume (L) = 1.03904 - Viscosity (mPa s) = 0.44791 + Viscosity (mPa s) = 0.49853 Activity of water = 0.990 Ionic strength (mol/kgw) = 4.486e-02 Mass of water (kg) = 9.997e-01 @@ -4844,10 +4844,10 @@ Calcite -0.00 -9.03 -9.03 1.000e+01 9.987e+00 -1.323e-02 pH = 4.962 Charge balance pe = 0.515 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 4807 + Specific Conductance (µS/cm, 70°C) = 4557 Density (g/cm³) = 0.98384 Volume (L) = 1.04119 - Viscosity (mPa s) = 0.41251 + Viscosity (mPa s) = 0.45665 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.971e-02 Mass of water (kg) = 9.998e-01 @@ -4928,10 +4928,10 @@ Calcite 0.00 -9.12 -9.12 1.000e+01 9.988e+00 -1.169e-02 pH = 4.954 Charge balance pe = 0.502 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 76°C) = 4611 + Specific Conductance (µS/cm, 76°C) = 4383 Density (g/cm³) = 0.97996 Volume (L) = 1.04374 - Viscosity (mPa s) = 0.38156 + Viscosity (mPa s) = 0.42024 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.508e-02 Mass of water (kg) = 9.998e-01 @@ -5012,10 +5012,10 @@ Calcite 0.00 -9.23 -9.23 1.000e+01 9.990e+00 -1.031e-02 pH = 4.947 Charge balance pe = 0.510 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 81°C) = 4394 + Specific Conductance (µS/cm, 81°C) = 4187 Density (g/cm³) = 0.97597 Volume (L) = 1.04665 - Viscosity (mPa s) = 0.35435 + Viscosity (mPa s) = 0.38838 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.095e-02 Mass of water (kg) = 9.998e-01 @@ -5096,10 +5096,10 @@ Calcite -0.00 -9.34 -9.34 1.000e+01 9.991e+00 -9.085e-03 pH = 4.939 Charge balance pe = 0.510 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 87°C) = 4162 + Specific Conductance (µS/cm, 87°C) = 3976 Density (g/cm³) = 0.97186 Volume (L) = 1.04991 - Viscosity (mPa s) = 0.33030 + Viscosity (mPa s) = 0.36032 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.726e-02 Mass of water (kg) = 9.998e-01 @@ -5180,10 +5180,10 @@ Calcite -0.00 -9.45 -9.45 1.000e+01 9.992e+00 -7.991e-03 pH = 4.931 Charge balance pe = 0.509 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 93°C) = 3921 + Specific Conductance (µS/cm, 93°C) = 3755 Density (g/cm³) = 0.96764 Volume (L) = 1.05349 - Viscosity (mPa s) = 0.30894 + Viscosity (mPa s) = 0.33549 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.398e-02 Mass of water (kg) = 9.999e-01 @@ -5264,10 +5264,10 @@ Calcite -0.00 -9.57 -9.57 1.000e+01 9.993e+00 -7.020e-03 pH = 4.923 Charge balance pe = 0.506 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 99°C) = 3674 + Specific Conductance (µS/cm, 99°C) = 3527 Density (g/cm³) = 0.96329 Volume (L) = 1.05738 - Viscosity (mPa s) = 0.28989 + Viscosity (mPa s) = 0.31340 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.106e-02 Mass of water (kg) = 9.999e-01 @@ -5348,10 +5348,10 @@ Calcite -0.00 -9.70 -9.70 1.000e+01 9.994e+00 -6.159e-03 pH = 4.916 Charge balance pe = 0.509 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 104°C) = 3427 + Specific Conductance (µS/cm, 104°C) = 3297 Density (g/cm³) = 0.95883 Volume (L) = 1.06156 - Viscosity (mPa s) = 0.27283 + Viscosity (mPa s) = 0.29367 Activity of water = 0.993 Ionic strength (mol/kgw) = 1.848e-02 Mass of water (kg) = 9.999e-01 @@ -5432,10 +5432,10 @@ Calcite 0.00 -9.83 -9.83 1.000e+01 9.995e+00 -5.399e-03 pH = 4.908 Charge balance pe = 0.513 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 110°C) = 3182 + Specific Conductance (µS/cm, 110°C) = 3068 Density (g/cm³) = 0.95424 Volume (L) = 1.06604 - Viscosity (mPa s) = 0.25748 + Viscosity (mPa s) = 0.27597 Activity of water = 0.994 Ionic strength (mol/kgw) = 1.620e-02 Mass of water (kg) = 9.999e-01 @@ -5535,10 +5535,10 @@ Calcite 0.00 -9.94 -9.94 1.000e+01 9.997e+00 -3.130e-03 pH = 5.224 Charge balance pe = 0.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 115°C) = 2008 + Specific Conductance (µS/cm, 115°C) = 1964 Density (g/cm³) = 0.94852 Volume (L) = 1.05985 - Viscosity (mPa s) = 0.24462 + Viscosity (mPa s) = 0.25502 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.391e-03 Mass of water (kg) = 9.999e-01 @@ -5619,10 +5619,10 @@ Calcite -0.00 -10.08 -10.08 1.000e+01 9.997e+00 -2.736e-03 pH = 5.217 Charge balance pe = 0.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 121°C) = 1847 + Specific Conductance (µS/cm, 121°C) = 1809 Density (g/cm³) = 0.94379 Volume (L) = 1.06496 - Viscosity (mPa s) = 0.23192 + Viscosity (mPa s) = 0.24119 Activity of water = 0.998 Ionic strength (mol/kgw) = 8.209e-03 Mass of water (kg) = 1.000e+00 @@ -5703,10 +5703,10 @@ Calcite -0.00 -10.22 -10.22 1.000e+01 9.998e+00 -2.389e-03 pH = 5.210 Charge balance pe = 0.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 127°C) = 1693 + Specific Conductance (µS/cm, 127°C) = 1660 Density (g/cm³) = 0.93892 Volume (L) = 1.07032 - Viscosity (mPa s) = 0.22039 + Viscosity (mPa s) = 0.22863 Activity of water = 0.998 Ionic strength (mol/kgw) = 7.171e-03 Mass of water (kg) = 1.000e+00 @@ -5787,10 +5787,10 @@ Calcite -0.00 -10.36 -10.36 1.000e+01 9.998e+00 -2.085e-03 pH = 5.203 Charge balance pe = 0.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 132°C) = 1546 + Specific Conductance (µS/cm, 132°C) = 1518 Density (g/cm³) = 0.93391 Volume (L) = 1.07592 - Viscosity (mPa s) = 0.20989 + Viscosity (mPa s) = 0.21720 Activity of water = 0.998 Ionic strength (mol/kgw) = 6.259e-03 Mass of water (kg) = 1.000e+00 @@ -5871,10 +5871,10 @@ Calcite -0.00 -10.51 -10.51 1.000e+01 9.998e+00 -1.819e-03 pH = 5.196 Charge balance pe = 0.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 138°C) = 1408 + Specific Conductance (µS/cm, 138°C) = 1384 Density (g/cm³) = 0.92876 Volume (L) = 1.08177 - Viscosity (mPa s) = 0.20029 + Viscosity (mPa s) = 0.20676 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.460e-03 Mass of water (kg) = 1.000e+00 @@ -5955,10 +5955,10 @@ Calcite 0.00 -10.66 -10.66 1.000e+01 9.998e+00 -1.585e-03 pH = 5.189 Charge balance pe = 0.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 144°C) = 1277 + Specific Conductance (µS/cm, 144°C) = 1258 Density (g/cm³) = 0.92347 Volume (L) = 1.08788 - Viscosity (mPa s) = 0.19148 + Viscosity (mPa s) = 0.19717 Activity of water = 0.998 Ionic strength (mol/kgw) = 4.760e-03 Mass of water (kg) = 1.000e+00 @@ -6039,10 +6039,10 @@ Calcite -0.00 -10.82 -10.82 1.000e+01 9.999e+00 -1.381e-03 pH = 5.181 Charge balance pe = 0.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1156 + Specific Conductance (µS/cm, 150°C) = 1140 Density (g/cm³) = 0.91802 Volume (L) = 1.09426 - Viscosity (mPa s) = 0.18337 + Viscosity (mPa s) = 0.18834 Activity of water = 0.998 Ionic strength (mol/kgw) = 4.148e-03 Mass of water (kg) = 1.000e+00 @@ -6123,10 +6123,10 @@ Calcite -0.00 -10.97 -10.97 1.000e+01 9.999e+00 -1.202e-03 pH = 5.174 Charge balance pe = 0.094 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 156°C) = 1043 + Specific Conductance (µS/cm, 156°C) = 1030 Density (g/cm³) = 0.91242 Volume (L) = 1.10092 - Viscosity (mPa s) = 0.17587 + Viscosity (mPa s) = 0.18016 Activity of water = 0.998 Ionic strength (mol/kgw) = 3.613e-03 Mass of water (kg) = 1.000e+00 @@ -6207,10 +6207,10 @@ Calcite -0.00 -11.13 -11.13 1.000e+01 9.999e+00 -1.046e-03 pH = 5.166 Charge balance pe = 4.956 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 161°C) = 939 + Specific Conductance (µS/cm, 161°C) = 928 Density (g/cm³) = 0.90667 Volume (L) = 1.10787 - Viscosity (mPa s) = 0.16891 + Viscosity (mPa s) = 0.17254 Activity of water = 0.998 Ionic strength (mol/kgw) = 3.145e-03 Mass of water (kg) = 1.000e+00 @@ -6291,10 +6291,10 @@ Calcite -0.00 -11.30 -11.30 1.000e+01 9.999e+00 -9.097e-04 pH = 5.158 Charge balance pe = 4.996 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 167°C) = 843 + Specific Conductance (µS/cm, 167°C) = 835 Density (g/cm³) = 0.90076 Volume (L) = 1.11512 - Viscosity (mPa s) = 0.16240 + Viscosity (mPa s) = 0.16534 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.736e-03 Mass of water (kg) = 1.000e+00 @@ -6375,10 +6375,10 @@ Calcite -0.00 -11.46 -11.46 1.000e+01 9.999e+00 -7.908e-04 pH = 5.150 Charge balance pe = 5.004 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 173°C) = 756 + Specific Conductance (µS/cm, 173°C) = 750 Density (g/cm³) = 0.89469 Volume (L) = 1.12269 - Viscosity (mPa s) = 0.15625 + Viscosity (mPa s) = 0.15842 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.380e-03 Mass of water (kg) = 1.000e+00 @@ -6459,10 +6459,10 @@ Calcite -0.00 -11.63 -11.63 1.000e+01 9.999e+00 -6.872e-04 pH = 5.141 Charge balance pe = 5.012 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 179°C) = 676 + Specific Conductance (µS/cm, 179°C) = 673 Density (g/cm³) = 0.88844 Volume (L) = 1.13060 - Viscosity (mPa s) = 0.15030 + Viscosity (mPa s) = 0.15144 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.069e-03 Mass of water (kg) = 1.000e+00 @@ -6543,10 +6543,10 @@ Calcite -0.00 -11.80 -11.80 1.000e+01 9.999e+00 -5.973e-04 pH = 5.133 Charge balance pe = 5.017 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 184°C) = 606 + Specific Conductance (µS/cm, 184°C) = 607 Density (g/cm³) = 0.88209 Volume (L) = 1.13876 - Viscosity (mPa s) = 0.14411 + Viscosity (mPa s) = 0.14344 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 @@ -6627,10 +6627,10 @@ Calcite -0.00 -11.97 -11.97 1.000e+01 9.999e+00 -5.191e-04 pH = 5.125 Charge balance pe = 5.022 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 190°C) = 551 + Specific Conductance (µS/cm, 190°C) = 569 Density (g/cm³) = 0.87559 Volume (L) = 1.14725 - Viscosity (mPa s) = 0.13421 + Viscosity (mPa s) = 0.12632 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.565e-03 Mass of water (kg) = 1.000e+00 @@ -6711,10 +6711,10 @@ Calcite -0.00 -12.15 -12.15 1.000e+01 1.000e+01 -4.511e-04 pH = 5.116 Charge balance pe = 5.027 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 196°C) = 458 + Specific Conductance (µS/cm, 196°C) = 436 Density (g/cm³) = 0.86892 Volume (L) = 1.15611 - Viscosity (mPa s) = 0.14716 + Viscosity (mPa s) = 0.16241 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.361e-03 Mass of water (kg) = 1.000e+00 @@ -6795,10 +6795,10 @@ Calcite -0.00 -12.32 -12.32 1.000e+01 1.000e+01 -3.920e-04 pH = 5.108 Charge balance pe = 5.032 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 202°C) = 416 + Specific Conductance (µS/cm, 202°C) = 407 Density (g/cm³) = 0.86206 Volume (L) = 1.16538 - Viscosity (mPa s) = 0.13643 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14259 (solute contributions limited to 200 °C) Activity of water = 0.998 Ionic strength (mol/kgw) = 1.184e-03 Mass of water (kg) = 1.000e+00 @@ -6879,10 +6879,10 @@ Calcite 0.00 -12.50 -12.50 1.000e+01 1.000e+01 -3.406e-04 pH = 5.099 Charge balance pe = 4.820 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 208°C) = 371 + Specific Conductance (µS/cm, 208°C) = 365 Density (g/cm³) = 0.85501 Volume (L) = 1.17506 - Viscosity (mPa s) = 0.13120 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13528 (solute contributions limited to 200 °C) Activity of water = 0.998 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 1.000e+00 @@ -6963,10 +6963,10 @@ Calcite 0.00 -12.67 -12.67 1.000e+01 1.000e+01 -2.960e-04 pH = 5.091 Charge balance pe = 4.716 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 213°C) = 329 + Specific Conductance (µS/cm, 213°C) = 325 Density (g/cm³) = 0.84776 Volume (L) = 1.18521 - Viscosity (mPa s) = 0.12694 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13002 (solute contributions limited to 200 °C) Activity of water = 0.998 Ionic strength (mol/kgw) = 8.965e-04 Mass of water (kg) = 1.000e+00 @@ -7047,10 +7047,10 @@ Calcite 0.00 -12.85 -12.85 1.000e+01 1.000e+01 -2.572e-04 pH = 5.082 Charge balance pe = 4.504 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 219°C) = 291 + Specific Conductance (µS/cm, 219°C) = 288 Density (g/cm³) = 0.84029 Volume (L) = 1.19584 - Viscosity (mPa s) = 0.12314 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12559 (solute contributions limited to 200 °C) Activity of water = 0.998 Ionic strength (mol/kgw) = 7.804e-04 Mass of water (kg) = 1.000e+00 @@ -7131,10 +7131,10 @@ Calcite 0.00 -13.03 -13.03 1.000e+01 1.000e+01 -2.236e-04 pH = 5.073 Charge balance pe = 4.292 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 225°C) = 257 + Specific Conductance (µS/cm, 225°C) = 255 Density (g/cm³) = 0.83261 Volume (L) = 1.20700 - Viscosity (mPa s) = 0.11963 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12163 (solute contributions limited to 200 °C) Activity of water = 0.998 Ionic strength (mol/kgw) = 6.797e-04 Mass of water (kg) = 1.000e+00 @@ -7233,10 +7233,10 @@ Calcite -0.00 -9.94 -9.94 1.000e+01 9.994e+00 -5.559e-03 pH = 4.793 Charge balance pe = 0.590 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 115°C) = 3364 + Specific Conductance (µS/cm, 115°C) = 3233 Density (g/cm³) = 0.95125 Volume (L) = 1.07785 - Viscosity (mPa s) = 0.24564 + Viscosity (mPa s) = 0.26509 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.669e-02 Mass of water (kg) = 9.999e-01 @@ -7317,10 +7317,10 @@ Calcite 0.00 -10.08 -10.08 1.000e+01 9.995e+00 -4.861e-03 pH = 4.784 Charge balance pe = 0.617 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 121°C) = 3100 + Specific Conductance (µS/cm, 121°C) = 2987 Density (g/cm³) = 0.94629 Volume (L) = 1.08294 - Viscosity (mPa s) = 0.23276 + Viscosity (mPa s) = 0.24996 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.460e-02 Mass of water (kg) = 9.999e-01 @@ -7401,10 +7401,10 @@ Calcite 0.00 -10.22 -10.22 1.000e+01 9.996e+00 -4.246e-03 pH = 4.775 Charge balance pe = 0.618 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 127°C) = 2845 + Specific Conductance (µS/cm, 127°C) = 2748 Density (g/cm³) = 0.94119 Volume (L) = 1.08835 - Viscosity (mPa s) = 0.22107 + Viscosity (mPa s) = 0.23625 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.275e-02 Mass of water (kg) = 9.999e-01 @@ -7485,10 +7485,10 @@ Calcite 0.00 -10.36 -10.36 1.000e+01 9.996e+00 -3.705e-03 pH = 4.766 Charge balance pe = 0.618 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 132°C) = 2601 + Specific Conductance (µS/cm, 132°C) = 2519 Density (g/cm³) = 0.93594 Volume (L) = 1.09409 - Viscosity (mPa s) = 0.21042 + Viscosity (mPa s) = 0.22377 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.113e-02 Mass of water (kg) = 9.999e-01 @@ -7569,10 +7569,10 @@ Calcite -0.00 -10.51 -10.51 1.000e+01 9.997e+00 -3.231e-03 pH = 4.757 Charge balance pe = 0.477 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 138°C) = 2370 + Specific Conductance (µS/cm, 138°C) = 2301 Density (g/cm³) = 0.93055 Volume (L) = 1.10016 - Viscosity (mPa s) = 0.20068 + Viscosity (mPa s) = 0.21238 Activity of water = 0.991 Ionic strength (mol/kgw) = 9.711e-03 Mass of water (kg) = 9.999e-01 @@ -7653,10 +7653,10 @@ Calcite -0.00 -10.66 -10.66 1.000e+01 9.997e+00 -2.815e-03 pH = 4.748 Charge balance pe = 0.619 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 144°C) = 2152 + Specific Conductance (µS/cm, 144°C) = 2094 Density (g/cm³) = 0.92501 Volume (L) = 1.10658 - Viscosity (mPa s) = 0.19173 + Viscosity (mPa s) = 0.20191 Activity of water = 0.991 Ionic strength (mol/kgw) = 8.464e-03 Mass of water (kg) = 9.999e-01 @@ -7737,10 +7737,10 @@ Calcite -0.00 -10.82 -10.82 1.000e+01 9.998e+00 -2.451e-03 pH = 4.739 Charge balance pe = 0.636 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 1948 + Specific Conductance (µS/cm, 150°C) = 1901 Density (g/cm³) = 0.91932 Volume (L) = 1.11334 - Viscosity (mPa s) = 0.18349 + Viscosity (mPa s) = 0.19225 Activity of water = 0.991 Ionic strength (mol/kgw) = 7.373e-03 Mass of water (kg) = 1.000e+00 @@ -7821,10 +7821,10 @@ Calcite 0.00 -10.97 -10.97 1.000e+01 9.998e+00 -2.133e-03 pH = 4.729 Charge balance pe = 0.614 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 156°C) = 1759 + Specific Conductance (µS/cm, 156°C) = 1721 Density (g/cm³) = 0.91345 Volume (L) = 1.12047 - Viscosity (mPa s) = 0.17586 + Viscosity (mPa s) = 0.18325 Activity of water = 0.991 Ionic strength (mol/kgw) = 6.419e-03 Mass of water (kg) = 1.000e+00 @@ -7905,10 +7905,10 @@ Calcite -0.00 -11.13 -11.13 1.000e+01 9.998e+00 -1.855e-03 pH = 4.720 Charge balance pe = 5.427 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 161°C) = 1583 + Specific Conductance (µS/cm, 161°C) = 1554 Density (g/cm³) = 0.90741 Volume (L) = 1.12799 - Viscosity (mPa s) = 0.16875 + Viscosity (mPa s) = 0.17478 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.585e-03 Mass of water (kg) = 1.000e+00 @@ -7989,10 +7989,10 @@ Calcite -0.00 -11.30 -11.30 1.000e+01 9.998e+00 -1.612e-03 pH = 4.710 Charge balance pe = 5.273 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 167°C) = 1422 + Specific Conductance (µS/cm, 167°C) = 1401 Density (g/cm³) = 0.90119 Volume (L) = 1.13591 - Viscosity (mPa s) = 0.16207 + Viscosity (mPa s) = 0.16666 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.857e-03 Mass of water (kg) = 1.000e+00 @@ -8073,10 +8073,10 @@ Calcite -0.00 -11.46 -11.46 1.000e+01 9.999e+00 -1.400e-03 pH = 4.701 Charge balance pe = 5.479 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 173°C) = 1275 + Specific Conductance (µS/cm, 173°C) = 1262 Density (g/cm³) = 0.89478 Volume (L) = 1.14427 - Viscosity (mPa s) = 0.15568 + Viscosity (mPa s) = 0.15858 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.222e-03 Mass of water (kg) = 1.000e+00 @@ -8157,10 +8157,10 @@ Calcite 0.00 -11.63 -11.63 1.000e+01 9.999e+00 -1.215e-03 pH = 4.691 Charge balance pe = 5.013 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 179°C) = 1141 + Specific Conductance (µS/cm, 179°C) = 1139 Density (g/cm³) = 0.88816 Volume (L) = 1.15309 - Viscosity (mPa s) = 0.14935 + Viscosity (mPa s) = 0.14991 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.668e-03 Mass of water (kg) = 1.000e+00 @@ -8241,10 +8241,10 @@ Calcite -0.00 -11.80 -11.80 1.000e+01 9.999e+00 -1.055e-03 pH = 4.682 Charge balance pe = 5.490 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 184°C) = 1024 + Specific Conductance (µS/cm, 184°C) = 1039 Density (g/cm³) = 0.88139 Volume (L) = 1.16227 - Viscosity (mPa s) = 0.14239 + Viscosity (mPa s) = 0.13859 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.188e-03 Mass of water (kg) = 1.000e+00 @@ -8325,10 +8325,10 @@ Calcite -0.00 -11.97 -11.97 1.000e+01 9.999e+00 -9.161e-04 pH = 4.673 Charge balance pe = 5.604 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 190°C) = 942 + Specific Conductance (µS/cm, 190°C) = 1045 Density (g/cm³) = 0.87443 Volume (L) = 1.17190 - Viscosity (mPa s) = 0.12951 + Viscosity (mPa s) = 0.10857 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.771e-03 Mass of water (kg) = 1.000e+00 @@ -8409,10 +8409,10 @@ Calcite -0.00 -12.15 -12.15 1.000e+01 9.999e+00 -7.951e-04 pH = 4.663 Charge balance pe = 5.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 196°C) = 746 + Specific Conductance (µS/cm, 196°C) = 668 Density (g/cm³) = 0.86724 Volume (L) = 1.18207 - Viscosity (mPa s) = 0.15597 + Viscosity (mPa s) = 0.19803 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.409e-03 Mass of water (kg) = 1.000e+00 @@ -8493,10 +8493,10 @@ Calcite 0.00 -12.32 -12.32 1.000e+01 9.999e+00 -6.899e-04 pH = 4.654 Charge balance pe = 5.508 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 202°C) = 690 + Specific Conductance (µS/cm, 202°C) = 655 Density (g/cm³) = 0.85980 Volume (L) = 1.19282 - Viscosity (mPa s) = 0.13885 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.15397 (solute contributions limited to 200 °C) Activity of water = 0.991 Ionic strength (mol/kgw) = 2.094e-03 Mass of water (kg) = 1.000e+00 @@ -8577,10 +8577,10 @@ Calcite -0.00 -12.50 -12.50 1.000e+01 9.999e+00 -5.985e-04 pH = 4.644 Charge balance pe = 5.297 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 208°C) = 616 + Specific Conductance (µS/cm, 208°C) = 593 Density (g/cm³) = 0.85209 Volume (L) = 1.20420 - Viscosity (mPa s) = 0.13252 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.14230 (solute contributions limited to 200 °C) Activity of water = 0.991 Ionic strength (mol/kgw) = 1.820e-03 Mass of water (kg) = 1.000e+00 @@ -8661,10 +8661,10 @@ Calcite 0.00 -12.67 -12.67 1.000e+01 9.999e+00 -5.192e-04 pH = 4.635 Charge balance pe = 5.045 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 213°C) = 546 + Specific Conductance (µS/cm, 213°C) = 530 Density (g/cm³) = 0.84410 Volume (L) = 1.21627 - Viscosity (mPa s) = 0.12782 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.13516 (solute contributions limited to 200 °C) Activity of water = 0.990 Ionic strength (mol/kgw) = 1.583e-03 Mass of water (kg) = 1.000e+00 @@ -8745,10 +8745,10 @@ Calcite -0.00 -12.85 -12.85 1.000e+01 1.000e+01 -4.504e-04 pH = 4.625 Charge balance pe = 4.224 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 219°C) = 483 + Specific Conductance (µS/cm, 219°C) = 471 Density (g/cm³) = 0.83579 Volume (L) = 1.22909 - Viscosity (mPa s) = 0.12377 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12966 (solute contributions limited to 200 °C) Activity of water = 0.990 Ionic strength (mol/kgw) = 1.377e-03 Mass of water (kg) = 1.000e+00 @@ -8829,10 +8829,10 @@ Calcite 0.00 -13.03 -13.03 1.000e+01 1.000e+01 -3.907e-04 pH = 4.616 Charge balance pe = 4.783 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 225°C) = 426 + Specific Conductance (µS/cm, 225°C) = 417 Density (g/cm³) = 0.82714 Volume (L) = 1.24276 - Viscosity (mPa s) = 0.12010 (solute contributions limited to 200 °C) + Viscosity (mPa s) = 0.12501 (solute contributions limited to 200 °C) Activity of water = 0.990 Ionic strength (mol/kgw) = 1.198e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/cc_P3_101.sel b/mytest/cc_P3_101.sel index f3cace41a..ee5a5e640 100644 --- a/mytest/cc_P3_101.sel +++ b/mytest/cc_P3_101.sel @@ -1,102 +1,102 @@ Mu SC 0.000000101049 0.0550543524 - 0.092958322893 2471.1455491852 - 0.084467891207 2753.5901667357 - 0.076459580853 2991.7245188374 - 0.068970732669 3183.0025213219 - 0.062019282594 3327.0688701860 - 0.055608120587 3425.2213835970 - 0.049728678785 3479.9720167277 - 0.044363883966 3494.6900216973 - 0.039490575249 3473.3118227226 - 0.035081469073 3420.1054565905 - 0.031106736432 3339.4798878666 - 0.027535251461 3235.8323039058 - 0.024335562916 3113.4281987045 - 0.021476632870 2976.3098433586 - 0.018928382266 2828.2294237784 - 0.016662079456 2672.6038633321 - 0.014650600720 2512.4879342892 - 0.012868589317 2350.5628488833 - 0.011292535234 2189.1375833985 - 0.009900793687 2030.1602041914 - 0.118101070156 2968.0881674933 - 0.107603435267 3337.5684802282 - 0.097623667363 3652.8313171233 - 0.088232014453 3909.6062772952 - 0.079468890753 4106.6728281540 - 0.071351786900 4245.1222951130 - 0.063880715802 4327.7557837003 - 0.057042576423 4358.5956972344 - 0.050814675718 4342.4890270509 - 0.045167571758 4284.7848692914 - 0.040067358467 4191.0729920312 - 0.035477481821 4066.9736630437 - 0.031360168460 3917.9717489514 - 0.027677525617 3749.2891484410 - 0.024392372071 3565.7909376575 - 0.021468844474 3371.9207148720 - 0.018872823000 3171.6610689982 - 0.016572210220 2968.5153066771 - 0.014537094452 2765.5064517122 - 0.012739822489 2565.1901598173 - 0.143698541153 3364.4601355499 - 0.131793270446 3836.2316041287 - 0.120240329662 4247.5241180521 - 0.109195702978 4590.6011384748 - 0.098759946285 4861.9685314917 - 0.088993430498 5061.4311116876 - 0.079926514382 5191.2926756068 - 0.071567010759 5255.6924316913 - 0.063905919762 5260.0583185954 - 0.056921939707 5210.6576483581 - 0.050585047650 5114.2291091595 - 0.044859346020 4977.6839838194 - 0.039705313708 4807.8672960374 - 0.035081568790 4611.3715096430 - 0.030946227914 4394.3964925380 - 0.027257935391 4162.6500423317 - 0.023976618663 3921.2834361326 - 0.021064024362 3674.8567567737 - 0.018484076271 3427.3288502124 - 0.016203092515 3182.0670784368 - 0.009390603243 2008.9974990269 - 0.008208854484 1847.9215444881 - 0.007170504367 1693.5466368966 - 0.006259193984 1546.7182483637 - 0.005460220977 1408.0258523948 - 0.004760416318 1277.8376380589 - 0.004148019786 1156.3344823320 - 0.003612557417 1043.5430188821 - 0.003144723243 939.3685736151 - 0.002736266914 843.6312173622 - 0.002379888213 756.1163853666 - 0.002069139023 676.6890118470 - 0.001799611694 606.1788966999 - 0.001565295674 551.0866938541 - 0.001361450297 458.8801423948 - 0.001184215810 416.8586794471 - 0.001030206784 371.2829715906 - 0.000896457222 329.3674799107 - 0.000780371489 291.6106176830 - 0.000679680581 257.8574618423 - 0.016690881459 3364.9314860602 - 0.014596312656 3100.3948210970 - 0.012752757524 2845.3413395181 - 0.011132588755 2601.5493442703 - 0.009710697153 2370.3183769162 - 0.008464380397 2152.5312171143 - 0.007373205403 1948.7162088497 - 0.006418854785 1759.1097838976 - 0.005584965612 1583.7216082584 - 0.004856966449 1422.4117374382 - 0.004221917170 1275.0123241138 - 0.003668354771 1141.6324097965 - 0.003188267288 1024.6912151266 - 0.002771238690 942.9391074364 - 0.002408641921 746.2037937300 - 0.002093571611 690.5302050045 - 0.001819967317 616.2430374630 - 0.001582517702 546.3855439477 - 0.001376574195 483.0094036637 - 0.001198073597 426.1761793124 + 0.092958322893 2280.5083767408 + 0.084467891207 2575.0126694352 + 0.076459580853 2822.8339745477 + 0.068970732669 3022.0570527887 + 0.062019282594 3173.0727811805 + 0.055608120587 3277.7917149670 + 0.049728678785 3339.1426406395 + 0.044363883966 3360.7314015133 + 0.039490575249 3346.5909999945 + 0.035081469073 3300.9878341490 + 0.031106736432 3228.2662865543 + 0.027535251461 3132.7231188355 + 0.024335562916 3018.5072555255 + 0.021476632870 2889.5420024230 + 0.018928382266 2749.4673897407 + 0.016662079456 2601.6008001829 + 0.014650600720 2448.9133946501 + 0.012868589317 2294.0201901710 + 0.011292535234 2139.1815474177 + 0.009900793687 1986.3137316188 + 0.118101070156 2622.0910806433 + 0.107603435267 3014.8595608195 + 0.097623667363 3350.9271677074 + 0.088232014453 3625.5853375741 + 0.079468890753 3838.2239856592 + 0.071351786900 3990.7967537905 + 0.063880715802 4086.8594565043 + 0.057042576423 4130.9657837438 + 0.050814675718 4128.2686435936 + 0.045167571758 4084.2389948030 + 0.040067358467 4004.4553846140 + 0.035477481821 3894.4404577963 + 0.031360168460 3759.5328916877 + 0.027677525617 3604.7883885892 + 0.024392372071 3434.9061762966 + 0.021468844474 3254.1780012306 + 0.018872823000 3066.4569882889 + 0.016572210220 2875.1437511493 + 0.014537094452 2683.1868310626 + 0.012739822489 2493.0949491417 + 0.143698541153 2823.1061960718 + 0.131793270446 3321.5421996301 + 0.120240329662 3762.1658872580 + 0.109195702978 4133.4962979709 + 0.098759946285 4430.9537494170 + 0.088993430498 4654.5611443792 + 0.079926514382 4807.2814373838 + 0.071567010759 4893.9107854611 + 0.063905919762 4920.3532747677 + 0.056921939707 4893.1338614391 + 0.050585047650 4819.0566784308 + 0.044859346020 4704.9548929577 + 0.039705313708 4557.5025247486 + 0.035081568790 4383.0721811410 + 0.030946227914 4187.6296127913 + 0.027257935391 3976.6593321316 + 0.023976618663 3755.1168573617 + 0.021064024362 3527.4038315526 + 0.018484076271 3297.3623956331 + 0.016203092515 3068.2853868872 + 0.009390603243 1964.9253651037 + 0.008208854484 1809.8089300403 + 0.007170504367 1660.8228694117 + 0.006259193984 1518.8347045877 + 0.005460220977 1384.4657424973 + 0.004760416318 1258.1242288254 + 0.004148019786 1140.0386421509 + 0.003612557417 1030.2917047140 + 0.003144723243 928.8576203448 + 0.002736266914 835.6506325159 + 0.002379888213 750.6125437005 + 0.002069139023 673.9580635949 + 0.001799611694 607.6840994971 + 0.001565295674 569.9405022707 + 0.001361450297 436.9636555679 + 0.001184215810 407.4493928540 + 0.001030206784 365.3883397200 + 0.000896457222 325.2543799055 + 0.000780371489 288.6043237186 + 0.000679680581 255.6033095494 + 0.016690881459 3233.7030308684 + 0.014596312656 2987.1113148303 + 0.012752757524 2748.3129214526 + 0.011132588755 2519.1528987807 + 0.009710697153 2301.0301833350 + 0.008464380397 2094.9557020488 + 0.007373205403 1901.6143841652 + 0.006418854785 1721.4342814155 + 0.005584965612 1554.6731514769 + 0.004856966449 1401.5541891123 + 0.004221917170 1262.5590050088 + 0.003668354771 1139.3492541831 + 0.003188267288 1039.8895106829 + 0.002771238690 1045.5980792325 + 0.002408641921 668.4389549889 + 0.002093571611 655.3224880331 + 0.001819967317 593.9695541045 + 0.001582517702 530.6572630294 + 0.001376574195 471.3173382625 + 0.001198073597 417.2170708775 diff --git a/mytest/cc_P_101.sel b/mytest/cc_P_101.sel index a57e4d47a..69cab6019 100644 --- a/mytest/cc_P_101.sel +++ b/mytest/cc_P_101.sel @@ -1,22 +1,22 @@ Mu SC 0.000000100661 0.0546997340 - 0.000385530171 36.1571925780 - 0.000405517107 37.9591007208 - 0.000426053901 39.8049551008 - 0.000447141993 41.6942445078 - 0.000468782750 43.6264576156 - 0.000490977477 45.6010830311 - 0.000513727430 47.6176118204 - 0.000537033830 49.6755406862 - 0.000560897880 51.7743753282 - 0.000585320762 53.9136332302 - 0.000610303673 56.0928467346 - 0.000635847823 58.3115650746 - 0.000661954455 60.5693560379 - 0.000688624857 62.8658069729 - 0.000715860371 65.2005250767 - 0.000743662415 67.5731368895 - 0.000772032486 69.9832870378 - 0.000800972180 72.4306357824 - 0.000830483214 74.9148571201 - 0.000860567421 77.4356331591 + 0.000385530171 36.1571055692 + 0.000405517107 37.9590113098 + 0.000426053901 39.8048635823 + 0.000447141993 41.6941512056 + 0.000468782750 43.6263628825 + 0.000490977477 45.6009872481 + 0.000513727430 47.6175153961 + 0.000537033830 49.6754440562 + 0.000560897880 51.7742789542 + 0.000585320762 53.9135375992 + 0.000610303673 56.0927523578 + 0.000635847823 58.3114724871 + 0.000661954455 60.5692657972 + 0.000688624857 62.8657196581 + 0.000715860371 65.2004412876 + 0.000743662415 67.5730572457 + 0.000772032486 69.9832121775 + 0.000800972180 72.4305663616 + 0.000830483214 74.9147938118 + 0.000860567421 77.4355766522 diff --git a/mytest/cd_ddl.out b/mytest/cd_ddl.out index 32107ca10..175614836 100644 --- a/mytest/cd_ddl.out +++ b/mytest/cd_ddl.out @@ -105,7 +105,6 @@ H(0) 1.415e-25 H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.606e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.720e-21 9.723e-21 -20.012 -20.012 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/cd_ddl_101.sel b/mytest/cd_ddl_101.sel index 3a6a09d2a..a719dc771 100644 --- a/mytest/cd_ddl_101.sel +++ b/mytest/cd_ddl_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.001300104415 149.8467014148 - 0.001300104417 149.8467014121 - 0.001300104417 149.8467014184 + 0.001300104415 149.8467013573 + 0.001300104417 149.8467013546 + 0.001300104417 149.8467013609 diff --git a/mytest/cell_operations.dmp b/mytest/cell_operations.dmp index 8fe9aa031..1fa9bbf09 100644 --- a/mytest/cell_operations.dmp +++ b/mytest/cell_operations.dmp @@ -6,7 +6,7 @@ SOLUTION_RAW 100 -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -17,7 +17,7 @@ SOLUTION_RAW 100 -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -245,7 +245,7 @@ SOLUTION_RAW 1 -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -256,7 +256,7 @@ SOLUTION_RAW 1 -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -272,7 +272,7 @@ SOLUTION_RAW 2 -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -283,7 +283,7 @@ SOLUTION_RAW 2 -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 diff --git a/mytest/cell_operations.out b/mytest/cell_operations.out index 9b0bb0a8d..875c26747 100644 --- a/mytest/cell_operations.out +++ b/mytest/cell_operations.out @@ -81,7 +81,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/cell_operations_101.sel b/mytest/cell_operations_101.sel index 0f8271b4e..75691fdcd 100644 --- a/mytest/cell_operations_101.sel +++ b/mytest/cell_operations_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088057 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087775 diff --git a/mytest/co2_VP.out b/mytest/co2_VP.out index b21cd667e..b66c90c9a 100644 --- a/mytest/co2_VP.out +++ b/mytest/co2_VP.out @@ -151,10 +151,10 @@ CO2(g) 1.13 1.354e+01 0.926 9.267e-01 6.004e-01 -3.263e-01 pH = 3.363 Charge balance pe = 14.534 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 167 + Specific Conductance (µS/cm, 25°C) = 156 Density (g/cm³) = 1.00167 Volume (L) = 1.01706 - Viscosity (mPa s) = 0.89006 + Viscosity (mPa s) = 0.91990 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.438e-04 Mass of water (kg) = 1.000e+00 @@ -244,10 +244,10 @@ CO2(g) 1.27 1.868e+01 0.899 6.004e-01 8.574e-01 2.570e-01 pH = 3.300 Charge balance pe = 14.612 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 192 + Specific Conductance (µS/cm, 25°C) = 175 Density (g/cm³) = 1.00324 Volume (L) = 1.02175 - Viscosity (mPa s) = 0.89001 + Viscosity (mPa s) = 0.92969 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.133e-04 Mass of water (kg) = 1.000e+00 @@ -337,10 +337,10 @@ CO2(g) 1.37 2.369e+01 0.873 8.574e-01 1.128e+00 2.704e-01 pH = 3.256 Charge balance pe = 2.579 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 211 + Specific Conductance (µS/cm, 25°C) = 189 Density (g/cm³) = 1.00466 Volume (L) = 1.02598 - Viscosity (mPa s) = 0.88997 + Viscosity (mPa s) = 0.93852 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.693e-04 Mass of water (kg) = 1.000e+00 @@ -430,10 +430,10 @@ CO2(g) 1.46 2.853e+01 0.848 1.128e+00 1.412e+00 2.838e-01 pH = 3.223 Charge balance pe = 2.259 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 226 + Specific Conductance (µS/cm, 25°C) = 199 Density (g/cm³) = 1.00594 Volume (L) = 1.02976 - Viscosity (mPa s) = 0.88992 + Viscosity (mPa s) = 0.94641 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.153e-04 Mass of water (kg) = 1.000e+00 @@ -523,10 +523,10 @@ CO2(g) 1.52 3.317e+01 0.824 1.412e+00 1.709e+00 2.970e-01 pH = 3.197 Charge balance pe = 2.300 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 239 + Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 1.00708 Volume (L) = 1.03309 - Viscosity (mPa s) = 0.88988 + Viscosity (mPa s) = 0.95337 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.535e-04 Mass of water (kg) = 1.000e+00 @@ -616,10 +616,10 @@ CO2(g) 1.57 3.757e+01 0.801 1.709e+00 2.018e+00 3.099e-01 pH = 3.176 Charge balance pe = 2.368 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 249 + Specific Conductance (µS/cm, 25°C) = 213 Density (g/cm³) = 1.00809 Volume (L) = 1.03599 - Viscosity (mPa s) = 0.88983 + Viscosity (mPa s) = 0.95944 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.855e-04 Mass of water (kg) = 1.000e+00 @@ -709,10 +709,10 @@ CO2(g) 1.62 4.169e+01 0.780 2.018e+00 2.341e+00 3.222e-01 pH = 3.160 Charge balance pe = 2.291 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 257 + Specific Conductance (µS/cm, 25°C) = 217 Density (g/cm³) = 1.00897 Volume (L) = 1.03848 - Viscosity (mPa s) = 0.88979 + Viscosity (mPa s) = 0.96468 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.121e-04 Mass of water (kg) = 1.000e+00 @@ -802,10 +802,10 @@ CO2(g) 1.66 4.552e+01 0.761 2.341e+00 2.674e+00 3.337e-01 pH = 3.147 Charge balance pe = 2.381 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 264 + Specific Conductance (µS/cm, 25°C) = 221 Density (g/cm³) = 1.00973 Volume (L) = 1.04059 - Viscosity (mPa s) = 0.88975 + Viscosity (mPa s) = 0.96913 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.342e-04 Mass of water (kg) = 1.000e+00 @@ -895,10 +895,10 @@ CO2(g) 1.69 4.901e+01 0.743 2.674e+00 3.019e+00 3.443e-01 pH = 3.136 Charge balance pe = 2.158 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270 + Specific Conductance (µS/cm, 25°C) = 224 Density (g/cm³) = 1.01038 Volume (L) = 1.04235 - Viscosity (mPa s) = 0.88971 + Viscosity (mPa s) = 0.97285 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.524e-04 Mass of water (kg) = 1.000e+00 @@ -988,10 +988,10 @@ CO2(g) 1.72 5.216e+01 0.727 3.019e+00 3.373e+00 3.539e-01 pH = 3.128 Charge balance pe = 2.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 275 + Specific Conductance (µS/cm, 25°C) = 226 Density (g/cm³) = 1.01093 Volume (L) = 1.04379 - Viscosity (mPa s) = 0.88968 + Viscosity (mPa s) = 0.97593 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.674e-04 Mass of water (kg) = 1.000e+00 @@ -1081,10 +1081,10 @@ CO2(g) 1.74 5.496e+01 0.713 3.373e+00 3.735e+00 3.625e-01 pH = 3.121 Charge balance pe = 2.072 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 278 + Specific Conductance (µS/cm, 25°C) = 228 Density (g/cm³) = 1.01138 Volume (L) = 1.04496 - Viscosity (mPa s) = 0.88965 + Viscosity (mPa s) = 0.97843 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.795e-04 Mass of water (kg) = 1.000e+00 @@ -1174,10 +1174,10 @@ CO2(g) 1.80 6.369e+01 0.666 3.735e+00 5.640e+00 1.905e+00 pH = 3.105 Charge balance pe = 2.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01260 Volume (L) = 1.04782 - Viscosity (mPa s) = 0.88955 + Viscosity (mPa s) = 0.98472 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.100e-04 Mass of water (kg) = 1.000e+00 @@ -1267,10 +1267,10 @@ CO2(g) 1.82 6.536e+01 0.656 5.640e+00 7.628e+00 1.987e+00 pH = 3.103 Charge balance pe = 2.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01278 Volume (L) = 1.04818 - Viscosity (mPa s) = 0.88953 + Viscosity (mPa s) = 0.98556 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.143e-04 Mass of water (kg) = 1.000e+00 @@ -1360,10 +1360,10 @@ CO2(g) 1.82 6.536e+01 0.656 7.628e+00 9.629e+00 2.002e+00 pH = 3.103 Charge balance pe = 2.302 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01277 Volume (L) = 1.04812 - Viscosity (mPa s) = 0.88953 + Viscosity (mPa s) = 0.98545 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.139e-04 Mass of water (kg) = 1.000e+00 @@ -1453,10 +1453,10 @@ CO2(g) 1.82 6.536e+01 0.654 9.629e+00 1.163e+01 2.004e+00 pH = 3.103 Charge balance pe = 14.665 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01273 Volume (L) = 1.04798 - Viscosity (mPa s) = 0.88953 + Viscosity (mPa s) = 0.98517 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.128e-04 Mass of water (kg) = 1.000e+00 @@ -1546,10 +1546,10 @@ CO2(g) 1.82 6.536e+01 0.652 1.163e+01 1.364e+01 2.004e+00 pH = 3.104 Charge balance pe = 14.802 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01270 Volume (L) = 1.04786 - Viscosity (mPa s) = 0.88953 + Viscosity (mPa s) = 0.98492 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.117e-04 Mass of water (kg) = 1.000e+00 @@ -1639,10 +1639,10 @@ CO2(g) 1.86 7.165e+01 0.605 1.364e+01 1.563e+01 1.989e+00 pH = 3.101 Charge balance pe = 2.275 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 290 + Specific Conductance (µS/cm, 25°C) = 234 Density (g/cm³) = 1.01308 Volume (L) = 1.04796 - Viscosity (mPa s) = 0.88946 + Viscosity (mPa s) = 0.98561 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.177e-04 Mass of water (kg) = 1.000e+00 @@ -1732,10 +1732,10 @@ CO2(g) 1.98 9.587e+01 0.480 1.563e+01 1.759e+01 1.962e+00 pH = 3.090 Charge balance pe = 2.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 298 + Specific Conductance (µS/cm, 25°C) = 239 Density (g/cm³) = 1.01446 Volume (L) = 1.04815 - Viscosity (mPa s) = 0.88919 + Viscosity (mPa s) = 0.98788 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.394e-04 Mass of water (kg) = 1.000e+00 @@ -1825,10 +1825,10 @@ CO2(g) 2.15 1.421e+02 0.358 1.759e+01 1.953e+01 1.944e+00 pH = 3.071 Charge balance pe = 2.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 312 + Specific Conductance (µS/cm, 25°C) = 248 Density (g/cm³) = 1.01697 Volume (L) = 1.04800 - Viscosity (mPa s) = 0.88873 + Viscosity (mPa s) = 0.99122 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.769e-04 Mass of water (kg) = 1.000e+00 @@ -1925,10 +1925,10 @@ CO2(g) 2.34 2.212e+02 0.269 1.953e+01 2.146e+01 1.925e+00 pH = 3.043 Charge balance pe = 2.037 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 334 + Specific Conductance (µS/cm, 25°C) = 263 Density (g/cm³) = 1.02102 Volume (L) = 1.04706 - Viscosity (mPa s) = 0.88811 + Viscosity (mPa s) = 0.99570 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.368e-04 Mass of water (kg) = 1.000e+00 @@ -2025,10 +2025,10 @@ CO2(g) 2.54 3.499e+02 0.215 2.146e+01 2.336e+01 1.908e+00 pH = 3.002 Charge balance pe = 15.594 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 369 + Specific Conductance (µS/cm, 25°C) = 287 Density (g/cm³) = 1.02725 Volume (L) = 1.04467 - Viscosity (mPa s) = 0.88755 + Viscosity (mPa s) = 1.00153 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 1.000e+00 @@ -2125,10 +2125,10 @@ CO2(g) 2.74 5.547e+02 0.191 2.336e+01 2.526e+01 1.894e+00 pH = 2.945 Charge balance pe = 15.976 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 424 + Specific Conductance (µS/cm, 25°C) = 325 Density (g/cm³) = 1.03651 Volume (L) = 1.03985 - Viscosity (mPa s) = 0.88781 + Viscosity (mPa s) = 1.00939 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.175e-03 Mass of water (kg) = 1.000e+00 @@ -2225,10 +2225,10 @@ CO2(g) 2.95 8.834e+02 0.200 2.526e+01 2.715e+01 1.889e+00 pH = 2.867 Charge balance pe = 16.047 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 516 + Specific Conductance (µS/cm, 25°C) = 389 Density (g/cm³) = 1.05014 Volume (L) = 1.03100 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 1.02131 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.410e-03 Mass of water (kg) = 1.000e+00 @@ -2390,10 +2390,10 @@ CO2(g) 1.24 1.742e+01 0.927 9.267e-01 7.120e-01 -2.147e-01 pH = 3.397 Charge balance pe = 12.603 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 207 + Specific Conductance (µS/cm, 50°C) = 202 Density (g/cm³) = 0.99145 Volume (L) = 1.02259 - Viscosity (mPa s) = 0.54699 + Viscosity (mPa s) = 0.55446 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.110e-04 Mass of water (kg) = 1.000e+00 @@ -2483,10 +2483,10 @@ CO2(g) 1.38 2.387e+01 0.900 7.120e-01 1.008e+00 2.965e-01 pH = 3.335 Charge balance pe = 12.606 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 238 + Specific Conductance (µS/cm, 50°C) = 229 Density (g/cm³) = 0.99261 Volume (L) = 1.02599 - Viscosity (mPa s) = 0.54714 + Viscosity (mPa s) = 0.55695 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.741e-04 Mass of water (kg) = 1.000e+00 @@ -2576,10 +2576,10 @@ CO2(g) 1.48 3.009e+01 0.875 1.008e+00 1.315e+00 3.067e-01 pH = 3.292 Charge balance pe = 12.702 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 261 + Specific Conductance (µS/cm, 50°C) = 250 Density (g/cm³) = 0.99366 Volume (L) = 1.02903 - Viscosity (mPa s) = 0.54728 + Viscosity (mPa s) = 0.55917 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.246e-04 Mass of water (kg) = 1.000e+00 @@ -2669,10 +2669,10 @@ CO2(g) 1.56 3.606e+01 0.851 1.315e+00 1.632e+00 3.166e-01 pH = 3.259 Charge balance pe = 12.695 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 280 + Specific Conductance (µS/cm, 50°C) = 267 Density (g/cm³) = 0.99462 Volume (L) = 1.03173 - Viscosity (mPa s) = 0.54741 + Viscosity (mPa s) = 0.56116 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.662e-04 Mass of water (kg) = 1.000e+00 @@ -2762,10 +2762,10 @@ CO2(g) 1.62 4.175e+01 0.829 1.632e+00 1.958e+00 3.259e-01 pH = 3.234 Charge balance pe = 12.707 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 296 + Specific Conductance (µS/cm, 50°C) = 280 Density (g/cm³) = 0.99548 Volume (L) = 1.03411 - Viscosity (mPa s) = 0.54754 + Viscosity (mPa s) = 0.56293 Activity of water = 0.989 Ionic strength (mol/kgw) = 6.008e-04 Mass of water (kg) = 1.000e+00 @@ -2855,10 +2855,10 @@ CO2(g) 1.67 4.716e+01 0.808 1.958e+00 2.292e+00 3.346e-01 pH = 3.213 Charge balance pe = 12.721 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 309 + Specific Conductance (µS/cm, 50°C) = 291 Density (g/cm³) = 0.99626 Volume (L) = 1.03620 - Viscosity (mPa s) = 0.54765 + Viscosity (mPa s) = 0.56449 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.300e-04 Mass of water (kg) = 1.000e+00 @@ -2948,10 +2948,10 @@ CO2(g) 1.72 5.227e+01 0.789 2.292e+00 2.635e+00 3.427e-01 pH = 3.197 Charge balance pe = 12.642 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 320 + Specific Conductance (µS/cm, 50°C) = 300 Density (g/cm³) = 0.99695 Volume (L) = 1.03801 - Viscosity (mPa s) = 0.54776 + Viscosity (mPa s) = 0.56586 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.548e-04 Mass of water (kg) = 1.000e+00 @@ -3041,10 +3041,10 @@ CO2(g) 1.76 5.707e+01 0.771 2.635e+00 2.985e+00 3.500e-01 pH = 3.183 Charge balance pe = 2.579 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 329 + Specific Conductance (µS/cm, 50°C) = 307 Density (g/cm³) = 0.99757 Volume (L) = 1.03957 - Viscosity (mPa s) = 0.54787 + Viscosity (mPa s) = 0.56706 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.758e-04 Mass of water (kg) = 1.000e+00 @@ -3134,10 +3134,10 @@ CO2(g) 1.79 6.156e+01 0.754 2.985e+00 3.342e+00 3.565e-01 pH = 3.172 Charge balance pe = 12.764 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 337 + Specific Conductance (µS/cm, 50°C) = 313 Density (g/cm³) = 0.99811 Volume (L) = 1.04092 - Viscosity (mPa s) = 0.54796 + Viscosity (mPa s) = 0.56811 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.937e-04 Mass of water (kg) = 1.000e+00 @@ -3227,10 +3227,10 @@ CO2(g) 1.82 6.575e+01 0.738 3.342e+00 3.704e+00 3.624e-01 pH = 3.163 Charge balance pe = 2.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 344 + Specific Conductance (µS/cm, 50°C) = 318 Density (g/cm³) = 0.99860 Volume (L) = 1.04207 - Viscosity (mPa s) = 0.54805 + Viscosity (mPa s) = 0.56903 Activity of water = 0.985 Ionic strength (mol/kgw) = 7.090e-04 Mass of water (kg) = 1.000e+00 @@ -3320,10 +3320,10 @@ CO2(g) 1.84 6.964e+01 0.724 3.704e+00 4.072e+00 3.676e-01 pH = 3.155 Charge balance pe = 2.276 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 349 + Specific Conductance (µS/cm, 50°C) = 323 Density (g/cm³) = 0.99903 Volume (L) = 1.04305 - Viscosity (mPa s) = 0.54814 + Viscosity (mPa s) = 0.56982 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.221e-04 Mass of water (kg) = 1.000e+00 @@ -3413,10 +3413,10 @@ CO2(g) 1.93 8.508e+01 0.667 4.072e+00 5.966e+00 1.894e+00 pH = 3.130 Charge balance pe = 2.601 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 367 + Specific Conductance (µS/cm, 50°C) = 337 Density (g/cm³) = 1.00055 Volume (L) = 1.04611 - Viscosity (mPa s) = 0.54847 + Viscosity (mPa s) = 0.57246 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.646e-04 Mass of water (kg) = 1.000e+00 @@ -3506,10 +3506,10 @@ CO2(g) 1.98 9.579e+01 0.629 5.966e+00 7.914e+00 1.948e+00 pH = 3.118 Charge balance pe = 2.254 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 377 + Specific Conductance (µS/cm, 50°C) = 344 Density (g/cm³) = 1.00143 Volume (L) = 1.04748 - Viscosity (mPa s) = 0.54869 + Viscosity (mPa s) = 0.57383 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.862e-04 Mass of water (kg) = 1.000e+00 @@ -3599,10 +3599,10 @@ CO2(g) 2.02 1.050e+02 0.597 7.914e+00 9.881e+00 1.968e+00 pH = 3.111 Charge balance pe = 2.207 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 383 + Specific Conductance (µS/cm, 50°C) = 349 Density (g/cm³) = 1.00208 Volume (L) = 1.04822 - Viscosity (mPa s) = 0.54889 + Viscosity (mPa s) = 0.57474 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.006e-04 Mass of water (kg) = 1.000e+00 @@ -3692,10 +3692,10 @@ CO2(g) 2.07 1.163e+02 0.560 9.881e+00 1.185e+01 1.970e+00 pH = 3.103 Charge balance pe = 2.147 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 389 + Specific Conductance (µS/cm, 50°C) = 354 Density (g/cm³) = 1.00280 Volume (L) = 1.04878 - Viscosity (mPa s) = 0.54912 + Viscosity (mPa s) = 0.57565 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.149e-04 Mass of water (kg) = 1.000e+00 @@ -3785,10 +3785,10 @@ CO2(g) 2.13 1.337e+02 0.513 1.185e+01 1.382e+01 1.964e+00 pH = 3.093 Charge balance pe = 2.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 397 + Specific Conductance (µS/cm, 50°C) = 360 Density (g/cm³) = 1.00383 Volume (L) = 1.04927 - Viscosity (mPa s) = 0.54949 + Viscosity (mPa s) = 0.57682 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.337e-04 Mass of water (kg) = 1.000e+00 @@ -3878,10 +3878,10 @@ CO2(g) 2.21 1.621e+02 0.454 1.382e+01 1.577e+01 1.954e+00 pH = 3.080 Charge balance pe = 2.045 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 409 + Specific Conductance (µS/cm, 50°C) = 370 Density (g/cm³) = 1.00540 Volume (L) = 1.04963 - Viscosity (mPa s) = 0.55009 + Viscosity (mPa s) = 0.57846 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.603e-04 Mass of water (kg) = 1.000e+00 @@ -3971,10 +3971,10 @@ CO2(g) 2.32 2.076e+02 0.393 1.577e+01 1.771e+01 1.942e+00 pH = 3.061 Charge balance pe = 2.123 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 427 + Specific Conductance (µS/cm, 50°C) = 384 Density (g/cm³) = 1.00778 Volume (L) = 1.04968 - Viscosity (mPa s) = 0.55107 + Viscosity (mPa s) = 0.58079 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.987e-04 Mass of water (kg) = 1.000e+00 @@ -4064,10 +4064,10 @@ CO2(g) 2.45 2.787e+02 0.338 1.771e+01 1.964e+01 1.928e+00 pH = 3.036 Charge balance pe = 2.018 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 452 + Specific Conductance (µS/cm, 50°C) = 404 Density (g/cm³) = 1.01130 Volume (L) = 1.04913 - Viscosity (mPa s) = 0.55263 + Viscosity (mPa s) = 0.58406 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.535e-04 Mass of water (kg) = 1.000e+00 @@ -4164,10 +4164,10 @@ CO2(g) 2.59 3.875e+02 0.296 1.964e+01 2.156e+01 1.914e+00 pH = 3.002 Charge balance pe = 2.099 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 488 + Specific Conductance (µS/cm, 50°C) = 434 Density (g/cm³) = 1.01643 Volume (L) = 1.04755 - Viscosity (mPa s) = 0.55508 + Viscosity (mPa s) = 0.58865 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.032e-03 Mass of water (kg) = 1.000e+00 @@ -4264,10 +4264,10 @@ CO2(g) 2.74 5.522e+02 0.274 2.156e+01 2.346e+01 1.901e+00 pH = 2.957 Charge balance pe = 2.347 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 541 + Specific Conductance (µS/cm, 50°C) = 477 Density (g/cm³) = 1.02376 Volume (L) = 1.04430 - Viscosity (mPa s) = 0.55897 + Viscosity (mPa s) = 0.59515 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.145e-03 Mass of water (kg) = 1.000e+00 @@ -4364,10 +4364,10 @@ CO2(g) 2.90 8.029e+02 0.277 2.346e+01 2.535e+01 1.891e+00 pH = 2.899 Charge balance pe = 2.299 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 620 + Specific Conductance (µS/cm, 50°C) = 541 Density (g/cm³) = 1.03419 Volume (L) = 1.03842 - Viscosity (mPa s) = 0.56528 + Viscosity (mPa s) = 0.60464 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.313e-03 Mass of water (kg) = 1.000e+00 @@ -4464,10 +4464,10 @@ CO2(g) 3.08 1.193e+03 0.326 2.535e+01 2.724e+01 1.888e+00 pH = 2.822 Charge balance pe = 2.271 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 742 + Specific Conductance (µS/cm, 50°C) = 641 Density (g/cm³) = 1.04916 Volume (L) = 1.02829 - Viscosity (mPa s) = 0.57616 + Viscosity (mPa s) = 0.61941 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.570e-03 Mass of water (kg) = 1.000e+00 @@ -4631,10 +4631,10 @@ CO2(g) 1.36 2.292e+01 0.940 9.267e-01 7.976e-01 -1.291e-01 pH = 3.542 Charge balance pe = 9.333 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 207 + Specific Conductance (µS/cm, 100°C) = 205 Density (g/cm³) = 0.96089 Volume (L) = 1.05120 - Viscosity (mPa s) = 0.28227 + Viscosity (mPa s) = 0.28376 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.965e-04 Mass of water (kg) = 1.000e+00 @@ -4724,10 +4724,10 @@ CO2(g) 1.50 3.138e+01 0.919 7.976e-01 1.120e+00 3.219e-01 pH = 3.479 Charge balance pe = 9.526 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 239 + Specific Conductance (µS/cm, 100°C) = 236 Density (g/cm³) = 0.96179 Volume (L) = 1.05378 - Viscosity (mPa s) = 0.28251 + Viscosity (mPa s) = 0.28442 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.432e-04 Mass of water (kg) = 1.000e+00 @@ -4817,10 +4817,10 @@ CO2(g) 1.60 3.960e+01 0.899 1.120e+00 1.447e+00 3.278e-01 pH = 3.433 Charge balance pe = 9.592 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 264 + Specific Conductance (µS/cm, 100°C) = 260 Density (g/cm³) = 0.96265 Volume (L) = 1.05615 - Viscosity (mPa s) = 0.28275 + Viscosity (mPa s) = 0.28503 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.812e-04 Mass of water (kg) = 1.000e+00 @@ -4910,10 +4910,10 @@ CO2(g) 1.68 4.756e+01 0.880 1.447e+00 1.781e+00 3.334e-01 pH = 3.398 Charge balance pe = 9.600 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 285 + Specific Conductance (µS/cm, 100°C) = 280 Density (g/cm³) = 0.96345 Volume (L) = 1.05831 - Viscosity (mPa s) = 0.28297 + Viscosity (mPa s) = 0.28560 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.132e-04 Mass of water (kg) = 1.000e+00 @@ -5003,10 +5003,10 @@ CO2(g) 1.74 5.527e+01 0.862 1.781e+00 2.119e+00 3.386e-01 pH = 3.370 Charge balance pe = 9.599 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 302 + Specific Conductance (µS/cm, 100°C) = 296 Density (g/cm³) = 0.96421 Volume (L) = 1.06028 - Viscosity (mPa s) = 0.28319 + Viscosity (mPa s) = 0.28612 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.407e-04 Mass of water (kg) = 1.000e+00 @@ -5096,10 +5096,10 @@ CO2(g) 1.80 6.275e+01 0.845 2.119e+00 2.463e+00 3.436e-01 pH = 3.348 Charge balance pe = 9.548 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 317 + Specific Conductance (µS/cm, 100°C) = 311 Density (g/cm³) = 0.96492 Volume (L) = 1.06207 - Viscosity (mPa s) = 0.28340 + Viscosity (mPa s) = 0.28661 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.647e-04 Mass of water (kg) = 1.000e+00 @@ -5189,10 +5189,10 @@ CO2(g) 1.85 7.000e+01 0.829 2.463e+00 2.811e+00 3.481e-01 pH = 3.328 Charge balance pe = 9.497 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 331 + Specific Conductance (µS/cm, 100°C) = 323 Density (g/cm³) = 0.96560 Volume (L) = 1.06369 - Viscosity (mPa s) = 0.28360 + Viscosity (mPa s) = 0.28707 Activity of water = 0.990 Ionic strength (mol/kgw) = 4.858e-04 Mass of water (kg) = 1.000e+00 @@ -5282,10 +5282,10 @@ CO2(g) 1.89 7.703e+01 0.813 2.811e+00 3.163e+00 3.522e-01 pH = 3.312 Charge balance pe = 2.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 342 + Specific Conductance (µS/cm, 100°C) = 334 Density (g/cm³) = 0.96623 Volume (L) = 1.06517 - Viscosity (mPa s) = 0.28380 + Viscosity (mPa s) = 0.28750 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.046e-04 Mass of water (kg) = 1.000e+00 @@ -5375,10 +5375,10 @@ CO2(g) 1.92 8.385e+01 0.799 3.163e+00 3.519e+00 3.560e-01 pH = 3.298 Charge balance pe = 2.203 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 353 + Specific Conductance (µS/cm, 100°C) = 344 Density (g/cm³) = 0.96683 Volume (L) = 1.06651 - Viscosity (mPa s) = 0.28399 + Viscosity (mPa s) = 0.28790 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.214e-04 Mass of water (kg) = 1.000e+00 @@ -5468,10 +5468,10 @@ CO2(g) 1.96 9.048e+01 0.785 3.519e+00 3.879e+00 3.595e-01 pH = 3.286 Charge balance pe = 2.703 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 362 + Specific Conductance (µS/cm, 100°C) = 352 Density (g/cm³) = 0.96740 Volume (L) = 1.06772 - Viscosity (mPa s) = 0.28417 + Viscosity (mPa s) = 0.28828 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.366e-04 Mass of water (kg) = 1.000e+00 @@ -5561,10 +5561,10 @@ CO2(g) 1.99 9.694e+01 0.772 3.879e+00 4.241e+00 3.626e-01 pH = 3.275 Charge balance pe = 2.039 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 370 + Specific Conductance (µS/cm, 100°C) = 360 Density (g/cm³) = 0.96794 Volume (L) = 1.06883 - Viscosity (mPa s) = 0.28435 + Viscosity (mPa s) = 0.28864 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.505e-04 Mass of water (kg) = 1.000e+00 @@ -5654,10 +5654,10 @@ CO2(g) 2.10 1.273e+02 0.714 4.241e+00 6.090e+00 1.849e+00 pH = 3.234 Charge balance pe = 2.436 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 402 + Specific Conductance (µS/cm, 100°C) = 389 Density (g/cm³) = 0.97031 Volume (L) = 1.07306 - Viscosity (mPa s) = 0.28518 + Viscosity (mPa s) = 0.29020 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.049e-04 Mass of water (kg) = 1.000e+00 @@ -5747,10 +5747,10 @@ CO2(g) 2.19 1.563e+02 0.666 6.090e+00 7.978e+00 1.888e+00 pH = 3.206 Charge balance pe = 9.717 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 426 + Specific Conductance (µS/cm, 100°C) = 411 Density (g/cm³) = 0.97237 Volume (L) = 1.07587 - Viscosity (mPa s) = 0.28598 + Viscosity (mPa s) = 0.29154 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.454e-04 Mass of water (kg) = 1.000e+00 @@ -5840,10 +5840,10 @@ CO2(g) 2.27 1.872e+02 0.622 7.978e+00 9.884e+00 1.906e+00 pH = 3.183 Charge balance pe = 9.825 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 446 + Specific Conductance (µS/cm, 100°C) = 429 Density (g/cm³) = 0.97439 Volume (L) = 1.07788 - Viscosity (mPa s) = 0.28681 + Viscosity (mPa s) = 0.29284 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.805e-04 Mass of water (kg) = 1.000e+00 @@ -5933,10 +5933,10 @@ CO2(g) 2.35 2.233e+02 0.582 9.884e+00 1.180e+01 1.912e+00 pH = 3.162 Charge balance pe = 9.665 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 466 + Specific Conductance (µS/cm, 100°C) = 447 Density (g/cm³) = 0.97660 Volume (L) = 1.07941 - Viscosity (mPa s) = 0.28778 + Viscosity (mPa s) = 0.29426 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.154e-04 Mass of water (kg) = 1.000e+00 @@ -6026,10 +6026,10 @@ CO2(g) 2.43 2.687e+02 0.543 1.180e+01 1.371e+01 1.910e+00 pH = 3.139 Charge balance pe = 1.837 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 488 + Specific Conductance (µS/cm, 100°C) = 466 Density (g/cm³) = 0.97923 Volume (L) = 1.08054 - Viscosity (mPa s) = 0.28899 + Viscosity (mPa s) = 0.29595 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.538e-04 Mass of water (kg) = 1.000e+00 @@ -6119,10 +6119,10 @@ CO2(g) 2.52 3.284e+02 0.507 1.371e+01 1.561e+01 1.904e+00 pH = 3.114 Charge balance pe = 1.853 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 513 + Specific Conductance (µS/cm, 100°C) = 489 Density (g/cm³) = 0.98251 Volume (L) = 1.08124 - Viscosity (mPa s) = 0.29058 + Viscosity (mPa s) = 0.29807 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.989e-04 Mass of water (kg) = 1.000e+00 @@ -6212,10 +6212,10 @@ CO2(g) 2.61 4.087e+02 0.478 1.561e+01 1.750e+01 1.894e+00 pH = 3.085 Charge balance pe = 2.003 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 545 + Specific Conductance (µS/cm, 100°C) = 518 Density (g/cm³) = 0.98672 Volume (L) = 1.08134 - Viscosity (mPa s) = 0.29270 + Viscosity (mPa s) = 0.30081 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.544e-04 Mass of water (kg) = 1.000e+00 @@ -6312,10 +6312,10 @@ CO2(g) 2.71 5.183e+02 0.457 1.750e+01 1.939e+01 1.883e+00 pH = 3.051 Charge balance pe = 1.836 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 585 + Specific Conductance (µS/cm, 100°C) = 553 Density (g/cm³) = 0.99219 Volume (L) = 1.08058 - Viscosity (mPa s) = 0.29557 + Viscosity (mPa s) = 0.30443 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.247e-04 Mass of water (kg) = 1.000e+00 @@ -6412,10 +6412,10 @@ CO2(g) 2.83 6.695e+02 0.451 1.939e+01 2.126e+01 1.870e+00 pH = 3.011 Charge balance pe = 11.050 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 636 + Specific Conductance (µS/cm, 100°C) = 599 Density (g/cm³) = 0.99935 Volume (L) = 1.07858 - Viscosity (mPa s) = 0.29951 + Viscosity (mPa s) = 0.30927 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.016e-03 Mass of water (kg) = 1.000e+00 @@ -6512,10 +6512,10 @@ CO2(g) 2.94 8.808e+02 0.467 2.126e+01 2.311e+01 1.856e+00 pH = 2.963 Charge balance pe = 11.095 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 704 + Specific Conductance (µS/cm, 100°C) = 659 Density (g/cm³) = 1.00876 Volume (L) = 1.07481 - Viscosity (mPa s) = 0.30497 + Viscosity (mPa s) = 0.31587 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.137e-03 Mass of water (kg) = 1.000e+00 @@ -6677,10 +6677,10 @@ CO2(g) 1.43 2.672e+01 0.956 9.267e-01 8.051e-01 -1.216e-01 pH = 3.744 Charge balance pe = 7.260 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 156 + Specific Conductance (µS/cm, 150°C) = 155 Density (g/cm³) = 0.91764 Volume (L) = 1.10038 - Viscosity (mPa s) = 0.18262 + Viscosity (mPa s) = 0.18334 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.961e-04 Mass of water (kg) = 1.000e+00 @@ -6770,10 +6770,10 @@ CO2(g) 1.56 3.673e+01 0.940 8.051e-01 1.125e+00 3.204e-01 pH = 3.675 Charge balance pe = 7.329 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 181 + Specific Conductance (µS/cm, 150°C) = 180 Density (g/cm³) = 0.91971 Volume (L) = 1.10172 - Viscosity (mPa s) = 0.18345 + Viscosity (mPa s) = 0.18434 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.282e-04 Mass of water (kg) = 1.000e+00 @@ -6863,10 +6863,10 @@ CO2(g) 1.67 4.654e+01 0.925 1.125e+00 1.450e+00 3.241e-01 pH = 3.625 Charge balance pe = 7.378 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 202 + Specific Conductance (µS/cm, 150°C) = 200 Density (g/cm³) = 0.92049 Volume (L) = 1.10441 - Viscosity (mPa s) = 0.18370 + Viscosity (mPa s) = 0.18475 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.550e-04 Mass of water (kg) = 1.000e+00 @@ -6956,10 +6956,10 @@ CO2(g) 1.75 5.616e+01 0.911 1.450e+00 1.777e+00 3.277e-01 pH = 3.586 Charge balance pe = 7.416 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 219 + Specific Conductance (µS/cm, 150°C) = 217 Density (g/cm³) = 0.92126 Volume (L) = 1.10695 - Viscosity (mPa s) = 0.18395 + Viscosity (mPa s) = 0.18515 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.781e-04 Mass of water (kg) = 1.000e+00 @@ -7049,10 +7049,10 @@ CO2(g) 1.82 6.563e+01 0.898 1.777e+00 2.108e+00 3.312e-01 pH = 3.554 Charge balance pe = 7.446 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 234 + Specific Conductance (µS/cm, 150°C) = 231 Density (g/cm³) = 0.92200 Volume (L) = 1.10934 - Viscosity (mPa s) = 0.18419 + Viscosity (mPa s) = 0.18552 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.984e-04 Mass of water (kg) = 1.000e+00 @@ -7142,10 +7142,10 @@ CO2(g) 1.87 7.494e+01 0.885 2.108e+00 2.443e+00 3.345e-01 pH = 3.527 Charge balance pe = 7.473 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 247 + Specific Conductance (µS/cm, 150°C) = 244 Density (g/cm³) = 0.92273 Volume (L) = 1.11159 - Viscosity (mPa s) = 0.18443 + Viscosity (mPa s) = 0.18588 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.167e-04 Mass of water (kg) = 1.000e+00 @@ -7235,10 +7235,10 @@ CO2(g) 1.92 8.412e+01 0.872 2.443e+00 2.781e+00 3.377e-01 pH = 3.505 Charge balance pe = 7.494 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 259 + Specific Conductance (µS/cm, 150°C) = 255 Density (g/cm³) = 0.92345 Volume (L) = 1.11370 - Viscosity (mPa s) = 0.18466 + Viscosity (mPa s) = 0.18623 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.332e-04 Mass of water (kg) = 1.000e+00 @@ -7328,10 +7328,10 @@ CO2(g) 1.97 9.317e+01 0.860 2.781e+00 3.121e+00 3.406e-01 pH = 3.485 Charge balance pe = 7.513 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 270 + Specific Conductance (µS/cm, 150°C) = 265 Density (g/cm³) = 0.92415 Volume (L) = 1.11568 - Viscosity (mPa s) = 0.18489 + Viscosity (mPa s) = 0.18657 Activity of water = 0.989 Ionic strength (mol/kgw) = 3.484e-04 Mass of water (kg) = 1.000e+00 @@ -7421,10 +7421,10 @@ CO2(g) 2.01 1.021e+02 0.849 3.121e+00 3.465e+00 3.434e-01 pH = 3.468 Charge balance pe = 7.534 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 279 + Specific Conductance (µS/cm, 150°C) = 275 Density (g/cm³) = 0.92483 Volume (L) = 1.11755 - Viscosity (mPa s) = 0.18512 + Viscosity (mPa s) = 0.18691 Activity of water = 0.988 Ionic strength (mol/kgw) = 3.623e-04 Mass of water (kg) = 1.000e+00 @@ -7514,10 +7514,10 @@ CO2(g) 2.05 1.110e+02 0.838 3.465e+00 3.811e+00 3.460e-01 pH = 3.452 Charge balance pe = 7.549 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 288 + Specific Conductance (µS/cm, 150°C) = 283 Density (g/cm³) = 0.92551 Volume (L) = 1.11930 - Viscosity (mPa s) = 0.18535 + Viscosity (mPa s) = 0.18723 Activity of water = 0.987 Ionic strength (mol/kgw) = 3.753e-04 Mass of water (kg) = 1.000e+00 @@ -7607,10 +7607,10 @@ CO2(g) 2.08 1.198e+02 0.827 3.811e+00 4.159e+00 3.484e-01 pH = 3.438 Charge balance pe = 7.562 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 296 + Specific Conductance (µS/cm, 150°C) = 291 Density (g/cm³) = 0.92617 Volume (L) = 1.12095 - Viscosity (mPa s) = 0.18557 + Viscosity (mPa s) = 0.18754 Activity of water = 0.986 Ionic strength (mol/kgw) = 3.874e-04 Mass of water (kg) = 1.000e+00 @@ -7700,10 +7700,10 @@ CO2(g) 2.21 1.634e+02 0.780 4.159e+00 5.930e+00 1.771e+00 pH = 3.382 Charge balance pe = 7.613 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 330 + Specific Conductance (µS/cm, 150°C) = 323 Density (g/cm³) = 0.92938 Volume (L) = 1.12791 - Viscosity (mPa s) = 0.18666 + Viscosity (mPa s) = 0.18906 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.392e-04 Mass of water (kg) = 1.000e+00 @@ -7793,10 +7793,10 @@ CO2(g) 2.32 2.082e+02 0.740 5.930e+00 7.736e+00 1.806e+00 pH = 3.341 Charge balance pe = 7.651 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 358 + Specific Conductance (µS/cm, 150°C) = 349 Density (g/cm³) = 0.93257 Volume (L) = 1.13323 - Viscosity (mPa s) = 0.18777 + Viscosity (mPa s) = 0.19055 Activity of water = 0.980 Ionic strength (mol/kgw) = 4.824e-04 Mass of water (kg) = 1.000e+00 @@ -7886,10 +7886,10 @@ CO2(g) 2.41 2.569e+02 0.706 7.736e+00 9.560e+00 1.824e+00 pH = 3.306 Charge balance pe = 7.687 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 382 + Specific Conductance (µS/cm, 150°C) = 371 Density (g/cm³) = 0.93591 Volume (L) = 1.13745 - Viscosity (mPa s) = 0.18897 + Viscosity (mPa s) = 0.19211 Activity of water = 0.978 Ionic strength (mol/kgw) = 5.223e-04 Mass of water (kg) = 1.000e+00 @@ -7979,10 +7979,10 @@ CO2(g) 2.50 3.128e+02 0.676 9.560e+00 1.139e+01 1.832e+00 pH = 3.274 Charge balance pe = 7.714 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 406 + Specific Conductance (µS/cm, 150°C) = 394 Density (g/cm³) = 0.93961 Volume (L) = 1.14084 - Viscosity (mPa s) = 0.19033 + Viscosity (mPa s) = 0.19385 Activity of water = 0.976 Ionic strength (mol/kgw) = 5.623e-04 Mass of water (kg) = 1.000e+00 @@ -8072,10 +8072,10 @@ CO2(g) 2.58 3.794e+02 0.651 1.139e+01 1.322e+01 1.832e+00 pH = 3.242 Charge balance pe = 7.747 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 432 + Specific Conductance (µS/cm, 150°C) = 417 Density (g/cm³) = 0.94388 Volume (L) = 1.14352 - Viscosity (mPa s) = 0.19194 + Viscosity (mPa s) = 0.19587 Activity of water = 0.973 Ionic strength (mol/kgw) = 6.052e-04 Mass of water (kg) = 1.000e+00 @@ -8165,10 +8165,10 @@ CO2(g) 2.66 4.614e+02 0.633 1.322e+01 1.505e+01 1.826e+00 pH = 3.208 Charge balance pe = 7.778 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 460 + Specific Conductance (µS/cm, 150°C) = 443 Density (g/cm³) = 0.94896 Volume (L) = 1.14548 - Viscosity (mPa s) = 0.19389 + Viscosity (mPa s) = 0.19829 Activity of water = 0.971 Ionic strength (mol/kgw) = 6.533e-04 Mass of water (kg) = 1.000e+00 @@ -8258,10 +8258,10 @@ CO2(g) 2.75 5.643e+02 0.623 1.505e+01 1.687e+01 1.816e+00 pH = 3.173 Charge balance pe = 7.816 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 493 + Specific Conductance (µS/cm, 150°C) = 472 Density (g/cm³) = 0.95510 Volume (L) = 1.14660 - Viscosity (mPa s) = 0.19631 + Viscosity (mPa s) = 0.20128 Activity of water = 0.969 Ionic strength (mol/kgw) = 7.092e-04 Mass of water (kg) = 1.000e+00 @@ -8358,10 +8358,10 @@ CO2(g) 2.84 6.958e+02 0.625 1.687e+01 1.867e+01 1.802e+00 pH = 3.133 Charge balance pe = 8.233 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 531 + Specific Conductance (µS/cm, 150°C) = 506 Density (g/cm³) = 0.96261 Volume (L) = 1.14671 - Viscosity (mPa s) = 0.19936 + Viscosity (mPa s) = 0.20500 Activity of water = 0.966 Ionic strength (mol/kgw) = 7.759e-04 Mass of water (kg) = 1.000e+00 @@ -8458,10 +8458,10 @@ CO2(g) 2.94 8.660e+02 0.645 1.867e+01 2.045e+01 1.785e+00 pH = 3.090 Charge balance pe = 8.295 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 577 + Specific Conductance (µS/cm, 150°C) = 546 Density (g/cm³) = 0.97186 Volume (L) = 1.14555 - Viscosity (mPa s) = 0.20323 + Viscosity (mPa s) = 0.20971 Activity of water = 0.963 Ionic strength (mol/kgw) = 8.570e-04 Mass of water (kg) = 1.000e+00 @@ -8558,10 +8558,10 @@ CO2(g) 3.04 1.089e+03 0.693 2.045e+01 2.222e+01 1.763e+00 pH = 3.042 Charge balance pe = 8.340 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 632 + Specific Conductance (µS/cm, 150°C) = 594 Density (g/cm³) = 0.98325 Volume (L) = 1.14288 - Viscosity (mPa s) = 0.20821 + Viscosity (mPa s) = 0.21574 Activity of water = 0.960 Ionic strength (mol/kgw) = 9.571e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/co2_VP_101.sel b/mytest/co2_VP_101.sel index 9f5a13a6e..471eebd87 100644 --- a/mytest/co2_VP_101.sel +++ b/mytest/co2_VP_101.sel @@ -1,93 +1,93 @@ Mu SC 0.000000100661 0.0546997340 - 0.000443781132 167.8173567633 - 0.000513339838 192.2620890357 - 0.000569261443 211.3869884465 - 0.000615270889 226.7478346824 - 0.000653529136 239.2563336620 - 0.000685457693 249.5110080490 - 0.000712081606 257.9364268582 - 0.000734193782 264.8512701687 - 0.000752440585 270.5050740254 - 0.000767368567 275.0994884533 - 0.000779450630 278.8012313384 - 0.000810046954 288.1541968411 - 0.000814341569 289.4805760976 - 0.000813874550 289.3474695236 - 0.000812752643 289.0274867907 - 0.000811741950 288.7389521745 - 0.000817736617 290.8318549675 - 0.000839361094 298.4746767233 - 0.000876891522 312.0210910616 - 0.000936816682 334.0981646808 - 0.001029874879 369.0753516062 - 0.001175198404 424.7437002183 - 0.001410278350 516.2422275115 - 0.000000323907 0.1969703721 - 0.000410954508 207.9775306489 - 0.000474103996 238.1760403630 - 0.000524639406 261.8503675830 - 0.000566178595 280.9609952399 - 0.000600844975 296.6601519429 - 0.000630041325 309.7040642090 - 0.000654771681 320.6264934511 - 0.000675796645 329.8238376163 - 0.000693716286 337.6015102203 - 0.000709017878 344.2012856598 - 0.000722105187 349.8184715991 - 0.000764583158 367.9277114232 - 0.000786174164 377.1332279249 - 0.000800556505 383.3258898720 - 0.000814910451 389.5884786655 - 0.000833663150 397.8822254438 - 0.000860344699 409.8379028692 - 0.000898684631 427.2307575156 - 0.000953529934 452.4000605593 - 0.001031998150 488.7957856665 - 0.001145393641 541.8883410022 - 0.001312965005 620.9079189917 - 0.001570321763 742.5414535163 - 0.000002945354 2.4664462001 - 0.000296535423 207.8818648890 - 0.000343176046 239.2480296289 - 0.000381207070 264.3732385016 - 0.000413220179 285.1822806054 - 0.000440722039 302.7969947260 - 0.000464692413 317.9458020753 - 0.000485817839 331.1363806047 - 0.000504605632 342.7406052803 - 0.000521445713 353.0410366517 - 0.000536646854 362.2584412311 - 0.000550459308 370.5691243677 - 0.000604884751 402.7649687132 - 0.000645357842 426.2437620323 - 0.000680484228 446.4190111805 - 0.000715394231 466.3725709679 - 0.000753783565 488.2624639228 - 0.000798945367 513.9770702127 - 0.000854446364 545.5316108293 - 0.000924736889 585.3997066888 - 0.001015894120 636.8871797567 - 0.001136732723 704.6480727073 - 0.000011900817 12.0128832896 - 0.000196070850 156.5532201120 - 0.000228168254 181.5716455188 - 0.000254955148 202.0775613982 - 0.000278065559 219.4307359822 - 0.000298440522 234.4545657247 - 0.000316685772 247.6807226998 - 0.000333221241 259.4778184200 - 0.000348354016 270.1146164682 - 0.000362317889 279.7945569915 - 0.000375296547 288.6761558825 - 0.000387437982 296.8857990358 - 0.000439237608 330.8989827477 - 0.000482414171 358.1650493675 - 0.000522303366 382.6923857615 - 0.000562343603 406.8535061597 - 0.000605196032 432.3467833185 - 0.000653298023 460.6225786433 - 0.000709212161 493.1091172574 - 0.000775902838 531.3484477219 - 0.000857001997 577.0783078980 - 0.000957102634 632.2656317431 + 0.000443781132 156.5788584362 + 0.000513339838 175.4433048438 + 0.000569261443 189.1108761032 + 0.000615270889 199.3329968902 + 0.000653529136 207.1330230508 + 0.000685457693 213.1671906027 + 0.000712081606 217.8809801334 + 0.000734193782 221.5882960088 + 0.000752440585 224.5161446879 + 0.000767368567 226.8319187904 + 0.000779450630 228.6610557665 + 0.000810046954 233.1954320712 + 0.000814341569 233.8482377902 + 0.000813874550 233.7961374741 + 0.000812752643 233.6705228870 + 0.000811741950 233.5568094981 + 0.000817736617 234.8750464619 + 0.000839361094 239.7655818640 + 0.000876891522 248.6535360630 + 0.000936816682 263.4244878810 + 0.001029874879 287.1848651963 + 0.001175198404 325.4688302909 + 0.001410278350 389.1298677717 + 0.000000323907 0.1969703722 + 0.000410954508 202.3074997217 + 0.000474103996 229.7160076651 + 0.000524639406 250.6439491117 + 0.000566178595 267.1412664109 + 0.000600844975 280.4102058028 + 0.000630041325 291.2320258655 + 0.000654771681 300.1489894870 + 0.000675796645 307.5549814078 + 0.000693716286 313.7457188818 + 0.000709017878 318.9488418562 + 0.000722105187 323.3430635137 + 0.000764583158 337.3350777374 + 0.000786174164 344.4036510642 + 0.000800556505 349.1902327828 + 0.000814910451 354.0826576740 + 0.000833663150 360.6316687565 + 0.000860344699 370.1624371414 + 0.000898684631 384.1384497619 + 0.000953529934 404.4926344312 + 0.001031998150 434.0692419029 + 0.001145393641 477.3667926291 + 0.001312965005 541.9682702380 + 0.001570321763 641.6124801382 + 0.000002945354 2.4664461839 + 0.000296535423 205.8169148071 + 0.000343176046 236.2204426824 + 0.000381207070 260.3846359897 + 0.000413220179 280.2556878492 + 0.000440722039 296.9677330322 + 0.000464692413 311.2558963519 + 0.000485817839 323.6309345404 + 0.000504605632 334.4653960396 + 0.000521445713 344.0409139355 + 0.000536646854 352.5762783573 + 0.000550459308 360.2451549172 + 0.000604884751 389.7249995941 + 0.000645357842 411.0244605001 + 0.000680484228 429.2329110739 + 0.000715394231 447.1873543413 + 0.000753783565 466.8445054515 + 0.000798945367 489.8963859650 + 0.000854446364 518.1298944714 + 0.000924736889 553.7161069758 + 0.001015894120 599.5249245333 + 0.001136732723 659.5465358839 + 0.000011900817 12.0128833726 + 0.000196070850 155.5154732890 + 0.000228168254 180.0717244807 + 0.000254955148 200.1123597508 + 0.000278065559 217.0041004257 + 0.000298440522 231.5740446904 + 0.000316685772 244.3558923589 + 0.000333221241 255.7192350586 + 0.000348354016 265.9331341206 + 0.000362317889 275.2008727519 + 0.000375296547 283.6805032924 + 0.000387437982 291.4977412596 + 0.000439237608 323.6614877992 + 0.000482414171 349.1749543177 + 0.000522303366 371.9207929262 + 0.000562343603 394.1459759421 + 0.000605196032 417.4147381417 + 0.000653298023 443.0207606504 + 0.000709212161 472.1957326738 + 0.000775902838 506.2235278063 + 0.000857001997 546.4938678640 + 0.000957102634 594.4991841588 diff --git a/mytest/co2_pressure_bug_101.sel b/mytest/co2_pressure_bug_101.sel index 47902ff35..997f47766 100644 --- a/mytest/co2_pressure_bug_101.sel +++ b/mytest/co2_pressure_bug_101.sel @@ -1,13 +1,13 @@ Mu SC - 0.000000168960 0.1104744779 - 0.000001158253 0.5483340721 - 0.000368270484 168.7675490454 - 0.000516067866 232.4422812575 - 0.000623518023 276.5253775926 - 0.000706005406 308.9798207444 - 0.000766080798 331.9127849046 - 0.000801500242 345.2738045200 - 0.000816185533 350.8668476319 - 0.000825783788 354.6200724121 - 0.000843270917 361.6372498918 - 0.000875102484 374.6900292703 + 0.000000168960 0.1104744780 + 0.000001158253 0.5483332757 + 0.000368270484 162.4167296581 + 0.000516067866 215.7912904296 + 0.000623518023 248.3590688910 + 0.000706005406 269.5948680094 + 0.000766080798 283.1703686590 + 0.000801500242 290.6769782838 + 0.000816185533 293.8507092234 + 0.000825783788 296.0963370730 + 0.000843270917 300.5029618351 + 0.000875102484 308.9914493898 diff --git a/mytest/co2_t30.out b/mytest/co2_t30.out index c77328289..2bc00e231 100644 --- a/mytest/co2_t30.out +++ b/mytest/co2_t30.out @@ -151,10 +151,10 @@ H2O(g) -1.37 4.256e-02 0.986 0.000e+00 1.725e-03 1.725e-03 pH = 3.852 Charge balance pe = 13.548 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 59 + Specific Conductance (µS/cm, 30°C) = 58 Density (g/cm³) = 0.99607 Volume (L) = 1.00579 - Viscosity (mPa s) = 0.79729 + Viscosity (mPa s) = 0.79978 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.426e-04 Mass of water (kg) = 1.000e+00 @@ -245,10 +245,10 @@ H2O(g) -1.37 4.313e-02 0.974 1.725e-03 1.761e-03 3.649e-05 pH = 3.703 Charge balance pe = 1.866 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 83 + Specific Conductance (µS/cm, 30°C) = 82 Density (g/cm³) = 0.99652 Volume (L) = 1.00716 - Viscosity (mPa s) = 0.79732 + Viscosity (mPa s) = 0.80211 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.013e-04 Mass of water (kg) = 1.000e+00 @@ -339,10 +339,10 @@ H2O(g) -1.36 4.371e-02 0.961 1.761e-03 1.799e-03 3.759e-05 pH = 3.617 Charge balance pe = 1.942 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 101 + Specific Conductance (µS/cm, 30°C) = 99 Density (g/cm³) = 0.99697 Volume (L) = 1.00851 - Viscosity (mPa s) = 0.79733 + Viscosity (mPa s) = 0.80437 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.457e-04 Mass of water (kg) = 1.000e+00 @@ -433,10 +433,10 @@ H2O(g) -1.35 4.430e-02 0.949 1.799e-03 1.837e-03 3.872e-05 pH = 3.557 Charge balance pe = 2.515 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 116 + Specific Conductance (µS/cm, 30°C) = 113 Density (g/cm³) = 0.99741 Volume (L) = 1.00984 - Viscosity (mPa s) = 0.79734 + Viscosity (mPa s) = 0.80658 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.827e-04 Mass of water (kg) = 1.000e+00 @@ -527,10 +527,10 @@ H2O(g) -1.35 4.491e-02 0.936 1.837e-03 1.877e-03 3.989e-05 pH = 3.511 Charge balance pe = 2.023 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 129 + Specific Conductance (µS/cm, 30°C) = 125 Density (g/cm³) = 0.99784 Volume (L) = 1.01113 - Viscosity (mPa s) = 0.79735 + Viscosity (mPa s) = 0.80874 Activity of water = 0.997 Ionic strength (mol/kgw) = 3.148e-04 Mass of water (kg) = 1.000e+00 @@ -621,10 +621,10 @@ H2O(g) -1.34 4.615e-02 0.912 1.877e-03 1.961e-03 8.343e-05 pH = 3.442 Charge balance pe = 1.945 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 150 + Specific Conductance (µS/cm, 30°C) = 144 Density (g/cm³) = 0.99867 Volume (L) = 1.01364 - Viscosity (mPa s) = 0.79737 + Viscosity (mPa s) = 0.81290 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.693e-04 Mass of water (kg) = 1.000e+00 @@ -715,10 +715,10 @@ H2O(g) -1.32 4.744e-02 0.888 1.961e-03 2.049e-03 8.855e-05 pH = 3.392 Charge balance pe = 1.927 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 168 + Specific Conductance (µS/cm, 30°C) = 160 Density (g/cm³) = 0.99947 Volume (L) = 1.01605 - Viscosity (mPa s) = 0.79738 + Viscosity (mPa s) = 0.81686 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.150e-04 Mass of water (kg) = 1.000e+00 @@ -809,10 +809,10 @@ H2O(g) -1.31 4.878e-02 0.864 2.049e-03 2.143e-03 9.400e-05 pH = 3.353 Charge balance pe = 1.929 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 183 + Specific Conductance (µS/cm, 30°C) = 173 Density (g/cm³) = 1.00023 Volume (L) = 1.01834 - Viscosity (mPa s) = 0.79739 + Viscosity (mPa s) = 0.82064 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.544e-04 Mass of water (kg) = 1.000e+00 @@ -903,10 +903,10 @@ H2O(g) -1.30 5.017e-02 0.841 2.143e-03 2.243e-03 9.978e-05 pH = 3.321 Charge balance pe = 1.980 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 196 + Specific Conductance (µS/cm, 30°C) = 183 Density (g/cm³) = 1.00096 Volume (L) = 1.02053 - Viscosity (mPa s) = 0.79740 + Viscosity (mPa s) = 0.82424 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.891e-04 Mass of water (kg) = 1.000e+00 @@ -997,10 +997,10 @@ H2O(g) -1.24 5.790e-02 0.732 2.243e-03 2.841e-03 5.980e-04 pH = 3.222 Charge balance pe = 1.993 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 243 + Specific Conductance (µS/cm, 30°C) = 218 Density (g/cm³) = 1.00412 Volume (L) = 1.02982 - Viscosity (mPa s) = 0.79742 + Viscosity (mPa s) = 0.83953 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.166e-04 Mass of water (kg) = 9.999e-01 @@ -1091,10 +1091,10 @@ H2O(g) -1.17 6.690e-02 0.636 2.841e-03 3.639e-03 7.976e-04 pH = 3.170 Charge balance pe = 1.980 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 271 + Specific Conductance (µS/cm, 30°C) = 237 Density (g/cm³) = 1.00648 Volume (L) = 1.03652 - Viscosity (mPa s) = 0.79744 + Viscosity (mPa s) = 0.85064 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.963e-04 Mass of water (kg) = 9.999e-01 @@ -1185,10 +1185,10 @@ H2O(g) -1.11 7.705e-02 0.555 3.639e-03 4.684e-03 1.046e-03 pH = 3.140 Charge balance pe = 1.991 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 288 + Specific Conductance (µS/cm, 30°C) = 247 Density (g/cm³) = 1.00815 Volume (L) = 1.04099 - Viscosity (mPa s) = 0.79744 + Viscosity (mPa s) = 0.85817 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.468e-04 Mass of water (kg) = 9.999e-01 @@ -1279,10 +1279,10 @@ H2O(g) -1.06 8.805e-02 0.488 4.684e-03 6.025e-03 1.341e-03 pH = 3.122 Charge balance pe = 1.990 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 298 + Specific Conductance (µS/cm, 30°C) = 253 Density (g/cm³) = 1.00926 Volume (L) = 1.04375 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86293 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.778e-04 Mass of water (kg) = 9.999e-01 @@ -1373,10 +1373,10 @@ H2O(g) -1.00 9.957e-02 0.433 6.025e-03 7.704e-03 1.679e-03 pH = 3.112 Charge balance pe = 1.952 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 304 + Specific Conductance (µS/cm, 30°C) = 257 Density (g/cm³) = 1.00994 Volume (L) = 1.04529 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86569 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.959e-04 Mass of water (kg) = 9.998e-01 @@ -1467,10 +1467,10 @@ H2O(g) -0.95 1.112e-01 0.388 7.704e-03 9.759e-03 2.055e-03 pH = 3.107 Charge balance pe = 1.978 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 308 + Specific Conductance (µS/cm, 30°C) = 258 Density (g/cm³) = 1.01033 Volume (L) = 1.04605 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86714 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.055e-04 Mass of water (kg) = 9.998e-01 @@ -1561,10 +1561,10 @@ H2O(g) -0.91 1.228e-01 0.352 9.759e-03 1.222e-02 2.466e-03 pH = 3.105 Charge balance pe = 2.100 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 309 + Specific Conductance (µS/cm, 30°C) = 259 Density (g/cm³) = 1.01052 Volume (L) = 1.04635 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86779 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.099e-04 Mass of water (kg) = 9.998e-01 @@ -1655,10 +1655,10 @@ H2O(g) -0.87 1.343e-01 0.322 1.222e-02 1.513e-02 2.906e-03 pH = 3.104 Charge balance pe = 2.069 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 309 + Specific Conductance (µS/cm, 30°C) = 260 Density (g/cm³) = 1.01058 Volume (L) = 1.04639 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86798 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.113e-04 Mass of water (kg) = 9.997e-01 @@ -1749,10 +1749,10 @@ H2O(g) -0.84 1.459e-01 0.296 1.513e-02 1.850e-02 3.365e-03 pH = 3.104 Charge balance pe = 2.042 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 309 + Specific Conductance (µS/cm, 30°C) = 260 Density (g/cm³) = 1.01058 Volume (L) = 1.04633 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86798 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.113e-04 Mass of water (kg) = 9.997e-01 @@ -1843,10 +1843,10 @@ H2O(g) -0.80 1.584e-01 0.273 1.850e-02 2.233e-02 3.835e-03 pH = 3.104 Charge balance pe = 2.071 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 309 + Specific Conductance (µS/cm, 30°C) = 260 Density (g/cm³) = 1.01057 Volume (L) = 1.04625 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86797 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.112e-04 Mass of water (kg) = 9.996e-01 @@ -1937,10 +1937,10 @@ H2O(g) -0.76 1.719e-01 0.251 2.233e-02 2.668e-02 4.347e-03 pH = 3.104 Charge balance pe = 2.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 309 + Specific Conductance (µS/cm, 30°C) = 260 Density (g/cm³) = 1.01057 Volume (L) = 1.04615 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86795 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.111e-04 Mass of water (kg) = 9.995e-01 @@ -2031,10 +2031,10 @@ H2O(g) -0.73 1.865e-01 0.232 2.668e-02 3.158e-02 4.899e-03 pH = 3.104 Charge balance pe = 2.078 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 309 + Specific Conductance (µS/cm, 30°C) = 260 Density (g/cm³) = 1.01057 Volume (L) = 1.04606 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86794 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.111e-04 Mass of water (kg) = 9.994e-01 @@ -2125,10 +2125,10 @@ H2O(g) -0.69 2.065e-01 0.210 3.158e-02 3.694e-02 5.365e-03 pH = 3.103 Charge balance pe = 2.068 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 310 + Specific Conductance (µS/cm, 30°C) = 260 Density (g/cm³) = 1.01068 Volume (L) = 1.04603 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86818 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.132e-04 Mass of water (kg) = 9.993e-01 @@ -2219,10 +2219,10 @@ H2O(g) -0.63 2.332e-01 0.186 3.694e-02 4.280e-02 5.854e-03 pH = 3.101 Charge balance pe = 2.048 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 312 + Specific Conductance (µS/cm, 30°C) = 261 Density (g/cm³) = 1.01091 Volume (L) = 1.04603 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86860 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.171e-04 Mass of water (kg) = 9.992e-01 @@ -2313,10 +2313,10 @@ H2O(g) -0.57 2.697e-01 0.162 4.280e-02 4.911e-02 6.318e-03 pH = 3.098 Charge balance pe = 2.120 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 314 + Specific Conductance (µS/cm, 30°C) = 262 Density (g/cm³) = 1.01127 Volume (L) = 1.04604 - Viscosity (mPa s) = 0.79745 + Viscosity (mPa s) = 0.86922 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.232e-04 Mass of water (kg) = 9.991e-01 diff --git a/mytest/co2_t30_101.sel b/mytest/co2_t30_101.sel index 7c5e6f8c5..9f532e16b 100644 --- a/mytest/co2_t30_101.sel +++ b/mytest/co2_t30_101.sel @@ -1,26 +1,26 @@ Mu SC 0.000000121213 0.0706339985 - 0.000142641727 59.3329035298 - 0.000201285546 83.4323928301 - 0.000245734888 101.5323605331 - 0.000282707385 116.4578569222 - 0.000314821115 129.3140620530 - 0.000369328974 150.8784597700 - 0.000414979835 168.6626697816 - 0.000454420929 183.8048991799 - 0.000489142729 196.9520109598 - 0.000616624228 243.6115451852 - 0.000696310376 271.4130040847 - 0.000746782595 288.4966557516 - 0.000777826222 298.8411154676 - 0.000795899833 304.8357097849 - 0.000805538539 308.0416058719 - 0.000809928317 309.5124602414 - 0.000811283424 309.9708646765 - 0.000811308553 309.9795216343 - 0.000811221725 309.9511171083 - 0.000811104311 309.9131104895 - 0.000811050899 309.8961774343 - 0.000813160593 310.6551811539 - 0.000817085191 312.0825947355 - 0.000823220640 314.3379396973 + 0.000142641727 58.9478976752 + 0.000201285546 82.3910399115 + 0.000245734888 99.6790990553 + 0.000282707385 113.6822816883 + 0.000314821115 125.5334180110 + 0.000369328974 144.9125967182 + 0.000414979835 160.3621227808 + 0.000454420929 173.0911025769 + 0.000489142729 183.7967187570 + 0.000616624228 218.8543977210 + 0.000696310376 237.3157278272 + 0.000746782595 247.7234138922 + 0.000777826222 253.7155811574 + 0.000795899833 257.1145194577 + 0.000805538539 258.9301289388 + 0.000809928317 259.7723638586 + 0.000811283424 260.0392992088 + 0.000811308553 260.0445084269 + 0.000811221725 260.0290217021 + 0.000811104311 260.0087518211 + 0.000811050899 260.0001241670 + 0.000813160593 260.4910207145 + 0.000817085191 261.4291181638 + 0.000823220640 262.9331689841 diff --git a/mytest/co2_tc.out b/mytest/co2_tc.out index be0722fd4..16b8878bb 100644 --- a/mytest/co2_tc.out +++ b/mytest/co2_tc.out @@ -152,10 +152,10 @@ CO2(g) 1.63 0.13 -1.50 1.000e+01 0 -1.000e+01 pH = 3.103 Charge balance pe = 2.324 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 295 + Specific Conductance (µS/cm, 25°C) = 293 Density (g/cm³) = 1.02471 Volume (L) = 1.03690 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.89154 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.130e-04 Mass of water (kg) = 9.997e-01 @@ -247,10 +247,10 @@ CO2(g) 1.75 0.05 -1.70 1.000e+01 0 -1.000e+01 pH = 3.111 Charge balance pe = 3.100 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 44°C) = 370 + Specific Conductance (µS/cm, 44°C) = 369 Density (g/cm³) = 1.01720 Volume (L) = 1.03459 - Viscosity (mPa s) = 0.60348 + Viscosity (mPa s) = 0.60458 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.990e-04 Mass of water (kg) = 9.994e-01 @@ -342,10 +342,10 @@ CO2(g) 1.82 -0.03 -1.84 1.000e+01 2.725e+00 -7.275e+00 pH = 3.152 Charge balance pe = 2.388 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 64°C) = 402 + Specific Conductance (µS/cm, 64°C) = 401 Density (g/cm³) = 1.00595 Volume (L) = 1.03832 - Viscosity (mPa s) = 0.44258 + Viscosity (mPa s) = 0.44321 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.264e-04 Mass of water (kg) = 9.993e-01 @@ -430,10 +430,10 @@ CO2(g) 1.85 -0.09 -1.95 1.000e+01 4.116e+00 -5.884e+00 pH = 3.213 Charge balance pe = 2.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 83°C) = 399 + Specific Conductance (µS/cm, 83°C) = 398 Density (g/cm³) = 0.99260 Volume (L) = 1.04611 - Viscosity (mPa s) = 0.34267 + Viscosity (mPa s) = 0.34302 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.310e-04 Mass of water (kg) = 9.990e-01 @@ -521,7 +521,7 @@ CO2(g) 1.88 -0.14 -2.02 1.000e+01 4.865e+00 -5.135e+00 Specific Conductance (µS/cm, 103°C) = 376 Density (g/cm³) = 0.97344 Volume (L) = 1.06262 - Viscosity (mPa s) = 0.27370 + Viscosity (mPa s) = 0.27384 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.391e-04 Mass of water (kg) = 9.984e-01 @@ -609,7 +609,7 @@ CO2(g) 1.90 -0.16 -2.06 1.000e+01 5.344e+00 -4.656e+00 Specific Conductance (µS/cm, 122°C) = 343 Density (g/cm³) = 0.95761 Volume (L) = 1.07739 - Viscosity (mPa s) = 0.22759 + Viscosity (mPa s) = 0.22753 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.560e-04 Mass of water (kg) = 9.974e-01 @@ -694,10 +694,10 @@ CO2(g) 1.92 -0.18 -2.09 1.000e+01 5.672e+00 -4.328e+00 pH = 3.429 Charge balance pe = 2.012 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 142°C) = 304 + Specific Conductance (µS/cm, 142°C) = 305 Density (g/cm³) = 0.94060 Volume (L) = 1.09487 - Viscosity (mPa s) = 0.19419 + Viscosity (mPa s) = 0.19382 Activity of water = 0.988 Ionic strength (mol/kgw) = 3.832e-04 Mass of water (kg) = 9.961e-01 @@ -782,10 +782,10 @@ CO2(g) 1.93 -0.17 -2.10 1.000e+01 5.900e+00 -4.100e+00 pH = 3.506 Charge balance pe = 1.886 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 161°C) = 264 + Specific Conductance (µS/cm, 161°C) = 267 Density (g/cm³) = 0.92231 Volume (L) = 1.11498 - Viscosity (mPa s) = 0.16913 + Viscosity (mPa s) = 0.16818 Activity of water = 0.988 Ionic strength (mol/kgw) = 3.209e-04 Mass of water (kg) = 9.941e-01 @@ -870,10 +870,10 @@ CO2(g) 1.94 -0.16 -2.10 1.000e+01 6.057e+00 -3.943e+00 pH = 3.583 Charge balance pe = 1.855 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 181°C) = 226 + Specific Conductance (µS/cm, 181°C) = 233 Density (g/cm³) = 0.90264 Volume (L) = 1.13779 - Viscosity (mPa s) = 0.14962 + Viscosity (mPa s) = 0.14684 Activity of water = 0.987 Ionic strength (mol/kgw) = 2.683e-04 Mass of water (kg) = 9.914e-01 @@ -958,10 +958,10 @@ CO2(g) 1.95 -0.13 -2.08 1.000e+01 6.157e+00 -3.843e+00 pH = 3.660 Charge balance pe = 1.786 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 181 + Specific Conductance (µS/cm, 200°C) = 131 Density (g/cm³) = 0.88144 Volume (L) = 1.16355 - Viscosity (mPa s) = 0.13868 + Viscosity (mPa s) = 0.17280 Activity of water = 0.986 Ionic strength (mol/kgw) = 2.244e-04 Mass of water (kg) = 9.878e-01 diff --git a/mytest/co2_tc_101.sel b/mytest/co2_tc_101.sel index 02bff432d..b0227d471 100644 --- a/mytest/co2_tc_101.sel +++ b/mytest/co2_tc_101.sel @@ -1,12 +1,12 @@ Mu SC 0.000000100644 0.0547821292 - 0.000813049388 295.1967247723 - 0.000799047092 370.6815059493 - 0.000726366423 402.3547079759 - 0.000630969671 399.1248446890 - 0.000539115625 376.7113171981 - 0.000455983212 343.3027279462 - 0.000383248337 304.5014929147 - 0.000320909696 264.5445846288 - 0.000268260875 226.4605383651 - 0.000224351631 181.3213180209 + 0.000813049388 293.8003961993 + 0.000799047092 369.2936343944 + 0.000726366423 401.2094569469 + 0.000630969671 398.3256015104 + 0.000539115625 376.3265269205 + 0.000455983212 343.4783533614 + 0.000383248337 305.5251979455 + 0.000320909696 267.1322655151 + 0.000268260875 233.7868565910 + 0.000224351631 131.6136480619 diff --git a/mytest/colt1_101.sel b/mytest/colt1_101.sel index 34c356b39..dba4c2cc9 100644 --- a/mytest/colt1_101.sel +++ b/mytest/colt1_101.sel @@ -1,31 +1,31 @@ Mu SC - 0.001800104024 155.2535885008 - 0.001200104502 145.9103376569 - 0.001200104502 145.9103376569 - 0.001200104502 145.9103376569 - 0.001200104502 145.9103376569 - 0.001200104502 145.9103376569 - 0.001200104502 145.9103376569 - 0.001200104502 145.9103376569 - 0.001200104502 145.9198900688 - 0.001200104502 146.1458268651 - 0.001200104499 147.0237771819 - 0.001200104494 148.5061866477 - 0.001200104490 150.1581985845 - 0.001200104487 151.9641825735 - 0.001200104486 154.6028286212 - 0.001200104742 158.8662150709 - 0.001200143215 164.2041091609 - 0.001201958221 168.8440845905 - 0.001301434281 167.4194455969 - 0.001605491232 159.0094130796 - 0.001731506358 156.5027702352 - 0.001775159592 155.7055877955 - 0.001790798966 155.4236335188 - 0.001796570068 155.3188943660 - 0.001798744461 155.2789785959 - 0.001799576007 155.2635380676 - 0.001799897501 155.2575084586 - 0.001800022814 155.2551388184 - 0.001800071959 155.2542033259 - 0.001800091324 155.2538328653 + 0.001800104024 155.2535883375 + 0.001200104502 145.9103376732 + 0.001200104502 145.9103376732 + 0.001200104502 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+1,46 @@ Mu SC - 0.024000110928 2687.0338296578 - 0.024000110928 2687.0338296578 - 0.024000110928 2687.0338296578 - 0.024000110928 2687.0338296578 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000063085 1677.3319465897 - 0.024000110928 2687.0338296578 - 0.024000110928 2687.0338296578 - 0.024000083838 2422.4277923114 - 0.024000057843 1993.1817101444 - 0.024000054897 1780.7336136182 - 0.024000057984 1707.4611583730 - 0.024000060741 1686.1805451131 - 0.024000062215 1679.9859883744 - 0.024000062819 1678.0811326695 - 0.024000063018 1677.5154747057 - 0.024000063072 1677.3693322517 - 0.024000063082 1677.3407995007 - 0.024000063078 1677.3508201085 - 0.024000063053 1677.4207964917 - 0.024000062959 1677.6880352223 - 0.024000062682 1678.5672454130 - 0.024000062036 1681.3807187113 - 0.024000060898 1691.0491354000 - 0.024000059710 1724.4363452459 - 0.024000060440 1820.0351579018 - 0.024000066725 2006.0106462764 - 0.024000077151 2193.3692691680 + 0.024000110928 2687.0338265021 + 0.024000110928 2687.0338265021 + 0.024000110928 2687.0338265021 + 0.024000110928 2687.0338265021 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000063085 1677.3319466233 + 0.024000110928 2687.0338265021 + 0.024000110928 2687.0338265021 + 0.024000083838 2422.4277912258 + 0.024000057843 1993.1817101233 + 0.024000054897 1780.7336136796 + 0.024000057984 1707.4611584243 + 0.024000060741 1686.1805451545 + 0.024000062215 1679.9859884108 + 0.024000062819 1678.0811327039 + 0.024000063018 1677.5154747395 + 0.024000063072 1677.3693322854 + 0.024000063082 1677.3407995343 + 0.024000063078 1677.3508201422 + 0.024000063053 1677.4207965254 + 0.024000062959 1677.6880352563 + 0.024000062682 1678.5672454479 + 0.024000062036 1681.3807187485 + 0.024000060898 1691.0491354415 + 0.024000059710 1724.4363452941 + 0.024000060440 1820.0351579533 + 0.024000066725 2006.0106462926 + 0.024000077151 2193.3692690667 diff --git a/mytest/colt3.out b/mytest/colt3.out index bc66185ae..cbf3671e1 100644 --- a/mytest/colt3.out +++ b/mytest/colt3.out @@ -88,7 +88,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.581e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.697e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/mytest/colt3_101.sel b/mytest/colt3_101.sel index 5c6ae21c2..9e4692c1a 100644 --- a/mytest/colt3_101.sel +++ b/mytest/colt3_101.sel @@ -1,298 +1,298 @@ Mu SC - 0.001500285623 191.5494545816 - 0.001000205301 141.3343174938 - 0.001000205301 141.3343174938 - 0.001000205301 141.3343174939 - 0.001500285623 191.5494545817 - 0.001000205301 141.3343174939 - 0.001000205301 141.3343174939 - 0.001000205301 141.3343174939 - 0.001000205301 141.3343174939 - 0.001000205301 141.3343174939 - 0.001000205301 141.3343174939 - 0.001000205301 141.3343174939 - 0.001000205301 141.3343174939 - 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-3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/mytest/colt3_mi_101.sel b/mytest/colt3_mi_101.sel index 5fc20147d..2b12b8039 100644 --- a/mytest/colt3_mi_101.sel +++ b/mytest/colt3_mi_101.sel @@ -1,107 +1,107 @@ Mu SC - 0.001500213609 191.5403777777 - 0.001000157293 141.3276020982 - 0.001000157293 141.3276020982 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 0.001000157293 141.3276020983 - 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0.001186334109 158.9818404751 + 0.001286913931 176.6537835334 + 0.001333154582 186.4947603753 + 0.001313518825 185.7280801226 + 0.001255199499 178.2628688164 + 0.001179934378 167.6384171012 + 0.001105834104 156.8670508085 + 0.001049956668 148.6654121433 + 0.001018464238 144.0273616287 + 0.001005312480 142.0880944913 + 0.001001251561 141.4890470542 + 0.001000328814 141.3529087308 + 0.001000176515 141.3304381452 + 0.001000158749 141.3278169349 + 0.001000157360 141.3276119682 + 0.001000157295 141.3276023225 + 0.001003951918 141.4144518597 + 0.001009154334 141.4650063504 + 0.001016725609 141.3872458465 + 0.001026953607 141.1974749745 + 0.001040237772 141.2871227462 + 0.001057136994 142.4189778300 + 0.001078992550 145.4148168759 + 0.001108490502 150.7684620648 + 0.001148026160 158.3439831556 + 0.001194007039 166.9212252011 + 0.001232499697 173.9786223810 + 0.001246383787 176.8808208221 + 0.001229223262 174.7944923781 + 0.001188265019 168.9541575243 + 0.001136778105 161.4404759165 + 0.001087240183 154.1623646071 + 0.001048196708 148.4119960062 + 0.001022763836 144.6623634393 + 0.001009124786 142.6506045834 + 0.001003400892 141.8061669495 diff --git a/mytest/colt4.out b/mytest/colt4.out index 6583e409a..b0270979c 100644 --- a/mytest/colt4.out +++ b/mytest/colt4.out @@ -506,10 +506,10 @@ Z 1.813e-03 mol [0.1 (mol Z)/(mol Goethite)] pH = 6.822 Charge balance pe = -2.128 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 2843 + Specific Conductance (µS/cm, 20°C) = 2842 Density (g/cm³) = 1.00046 Volume (L) = 1.00196 - Viscosity (mPa s) = 1.01681 + Viscosity (mPa s) = 1.01732 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.060e-02 Mass of water (kg) = 1.000e+00 @@ -708,10 +708,10 @@ Z 1.190e-03 mol [0.1 (mol Z)/(mol Goethite)] pH = 6.511 Charge balance pe = -1.692 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 4790 + Specific Conductance (µS/cm, 20°C) = 4788 Density (g/cm³) = 1.00306 Volume (L) = 1.00216 - Viscosity (mPa s) = 1.02541 + Viscosity (mPa s) = 1.02659 Activity of water = 0.999 Ionic strength (mol/kgw) = 9.171e-02 Mass of water (kg) = 1.000e+00 @@ -907,10 +907,10 @@ Z 4.506e-18 mol [0.1 (mol Z)/(mol Goethite)] pH = 6.120 Charge balance pe = -1.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 7686 + Specific Conductance (µS/cm, 20°C) = 7681 Density (g/cm³) = 1.00735 Volume (L) = 1.00269 - Viscosity (mPa s) = 1.03438 + Viscosity (mPa s) = 1.03663 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.558e-01 Mass of water (kg) = 1.000e+00 diff --git a/mytest/colt4_101.sel b/mytest/colt4_101.sel index a2b80e6a7..d1caf0aff 100644 --- a/mytest/colt4_101.sel +++ b/mytest/colt4_101.sel @@ -1,7 +1,7 @@ Mu SC - 0.018186548893 1233.2804538041 - 0.018326353893 1240.4882243393 - 0.018326353893 1240.4882243393 - 0.050597979934 2843.4683138791 - 0.091708305759 4790.4109987557 - 0.155840726789 7686.3324177467 + 0.018186548893 1233.2718301115 + 0.018326353893 1240.4877910119 + 0.018326353893 1240.4877910119 + 0.050597979934 2842.7770239262 + 0.091708305759 4788.4393941413 + 0.155840726789 7681.8656499303 diff --git a/mytest/colt5.out b/mytest/colt5.out index 923156b59..cceed71c6 100644 --- a/mytest/colt5.out +++ b/mytest/colt5.out @@ -104,7 +104,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 4 Density (g/cm³) = 0.99706 Volume (L) = 1.00323 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89008 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.236e-05 Mass of water (kg) = 1.000e+00 @@ -237,7 +237,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 4 Density (g/cm³) = 0.99706 Volume (L) = 1.00323 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89008 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.236e-05 Mass of water (kg) = 1.000e+00 @@ -310,7 +310,7 @@ Kinetics 2. Specific Conductance (µS/cm, 25°C) = 4 Density (g/cm³) = 0.99706 Volume (L) = 1.00323 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89008 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.236e-05 Mass of water (kg) = 1.000e+00 @@ -406,7 +406,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 73 Density (g/cm³) = 0.99711 Volume (L) = 1.00322 - Viscosity (mPa s) = 0.89077 + Viscosity (mPa s) = 0.89078 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.104e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/colt5_101.sel b/mytest/colt5_101.sel index 3c01d073f..549f35196 100644 --- a/mytest/colt5_101.sel +++ b/mytest/colt5_101.sel @@ -1,14 +1,14 @@ Mu SC - 0.000012355300 4.8302549001 - 0.000012355300 4.8302549001 - 0.000012355300 4.8302549001 - 0.001103059211 73.7867347115 - 0.001104939432 73.9037273988 - 0.001103272574 73.8000732154 - 0.001107257119 74.0511899172 - 0.001103516878 73.8157763603 - 0.001109600142 74.2005922878 - 0.001103742124 73.8300234107 - 0.001111921538 74.3483489114 - 0.001103979866 73.8452255068 - 0.001114260839 74.4974768570 + 0.000012355300 4.8297795769 + 0.000012355300 4.8297795769 + 0.000012355300 4.8297795769 + 0.001103059211 73.7863471195 + 0.001104939432 73.9033359920 + 0.001103272574 73.7996852207 + 0.001107257119 74.0507952466 + 0.001103516878 73.8153880976 + 0.001109600142 74.2001944450 + 0.001103742124 73.8296347968 + 0.001111921538 74.3479477776 + 0.001103979866 73.8448365961 + 0.001114260839 74.4970724923 diff --git a/mytest/comments_101.sel b/mytest/comments_101.sel index 5bcc59e8d..73c77e168 100644 --- a/mytest/comments_101.sel +++ b/mytest/comments_101.sel @@ -1,7 +1,7 @@ Mu SC 0.000050410055 34.9719763831 - 0.000005013586 3.4829441999 - 0.000000505482 0.3498138930 + 0.000005013586 3.4829438106 + 0.000000505482 0.3498138892 0.000040007135 27.7610288383 - 0.000000505482 0.3498138930 + 0.000000505482 0.3498138892 0.000000100661 0.0546997340 diff --git a/mytest/comp3.flat b/mytest/comp3.flat index 8f83c4ecd..bb496aa3f 100644 --- a/mytest/comp3.flat +++ b/mytest/comp3.flat @@ -7,85 +7,85 @@ 1 advect 4 4 1 1 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 -1.4973e-04 0.0000 1 advect 5 5 1 1 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 -1.4973e-04 0.0000 1 advect 1 1 2 2 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 3.0760e-02 -2.2120e-02 0.0000 - 1 advect 2 2 2 2 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 6.9389e-17 0.0000 + 1 advect 2 2 2 2 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 8.3267e-17 0.0000 1 advect 3 3 2 2 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 0.0000e+00 0.0000 1 advect 4 4 2 2 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 0.0000e+00 0.0000 1 advect 5 5 2 2 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 0.0000e+00 0.0000 1 advect 1 1 3 3 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 8.6402e-03 -2.2120e-02 0.0000 - 1 advect 2 2 3 3 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 6.9389e-17 0.0000 - 1 advect 3 3 3 3 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.3307e-16 0.0000 + 1 advect 2 2 3 3 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 8.3267e-17 0.0000 + 1 advect 3 3 3 3 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.8041e-16 0.0000 1 advect 4 4 3 3 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 0.0000e+00 0.0000 1 advect 5 5 3 3 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 0.0000e+00 0.0000 1 advect 1 1 4 4 5.93373 3.8663 2.0415e-02 5.3184e-02 1.1607e-02 0.0000e+00 -8.6402e-03 -1.1587 - 1 advect 2 2 4 4 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 9.7145e-17 0.0000 - 1 advect 3 3 4 4 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.3307e-16 0.0000 - 1 advect 4 4 4 4 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 2.7756e-17 0.0000 + 1 advect 2 2 4 4 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 8.3267e-17 0.0000 + 1 advect 3 3 4 4 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.8041e-16 0.0000 + 1 advect 4 4 4 4 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.3878e-17 0.0000 1 advect 5 5 4 4 7.51133 13.0192 1.3768e-03 3.5011e-07 1.2920e-03 7.4850e-02 0.0000e+00 0.0000 1 advect 1 1 5 5 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 5 5 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 6.1370e-02 -1.3480e-02 0.0000 - 1 advect 3 3 5 5 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.5266e-16 0.0000 - 1 advect 4 4 5 5 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 2.7756e-17 0.0000 - 1 advect 5 5 5 5 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 0.0000e+00 0.0000 + 1 advect 3 3 5 5 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.6653e-16 0.0000 + 1 advect 4 4 5 5 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.3878e-17 0.0000 + 1 advect 5 5 5 5 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 -1.3878e-17 0.0000 1 advect 1 1 6 6 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 6 6 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 3.9251e-02 -2.2120e-02 0.0000 - 1 advect 3 3 6 6 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 7.2164e-16 0.0000 - 1 advect 4 4 6 6 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 0.0000e+00 0.0000 - 1 advect 5 5 6 6 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 0.0000e+00 0.0000 + 1 advect 3 3 6 6 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 6.9389e-16 0.0000 + 1 advect 4 4 6 6 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.5266e-16 0.0000 + 1 advect 5 5 6 6 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 -1.3878e-17 0.0000 1 advect 1 1 7 7 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 7 7 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 1.7131e-02 -2.2120e-02 0.0000 1 advect 3 3 7 7 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 8.3267e-17 0.0000 - 1 advect 4 4 7 7 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 2.7756e-17 0.0000 - 1 advect 5 5 7 7 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 0.0000e+00 0.0000 + 1 advect 4 4 7 7 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 -2.7756e-17 0.0000 + 1 advect 5 5 7 7 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.8041e-16 0.0000 1 advect 1 1 8 8 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 8 8 6.1893 3.69332 2.8911e-02 5.3192e-02 1.6458e-02 0.0000e+00 -1.7131e-02 -0.3491 1 advect 3 3 8 8 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.1102e-16 0.0000 1 advect 4 4 8 8 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.4694e-16 0.0000 - 1 advect 5 5 8 8 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.7470e-16 0.0000 + 1 advect 5 5 8 8 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.8858e-16 0.0000 1 advect 1 1 9 9 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 9 9 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 9 9 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 6.9861e-02 -4.9893e-03 0.0000 - 1 advect 4 4 9 9 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.0531e-16 0.0000 - 1 advect 5 5 9 9 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.8041e-16 0.0000 + 1 advect 4 4 9 9 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 2.9143e-16 0.0000 + 1 advect 5 5 9 9 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.6653e-16 0.0000 1 advect 1 1 10 10 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 10 10 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 10 10 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 4.7741e-02 -2.2120e-02 0.0000 - 1 advect 4 4 10 10 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.3878e-17 0.0000 + 1 advect 4 4 10 10 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 2.7756e-17 0.0000 1 advect 5 5 10 10 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.8041e-16 0.0000 1 advect 1 1 11 11 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 11 11 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 11 11 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 2.5621e-02 -2.2120e-02 0.0000 1 advect 4 4 11 11 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.6653e-16 0.0000 - 1 advect 5 5 11 11 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 2.7756e-17 0.0000 + 1 advect 5 5 11 11 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 -1.2490e-16 0.0000 1 advect 1 1 12 12 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 12 12 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 12 12 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 3.5011e-03 -2.2120e-02 0.0000 1 advect 4 4 12 12 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.6653e-16 0.0000 - 1 advect 5 5 12 12 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.1919e-16 0.0000 + 1 advect 5 5 12 12 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.2490e-16 0.0000 1 advect 1 1 13 13 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 13 13 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 13 13 5.62766 3.95854 1.5274e-02 5.3179e-02 8.7256e-03 0.0000e+00 -3.5011e-03 -2.1481 - 1 advect 4 4 13 13 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.5266e-16 0.0000 - 1 advect 5 5 13 13 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.1919e-16 0.0000 + 1 advect 4 4 13 13 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.6653e-16 0.0000 + 1 advect 5 5 13 13 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.2490e-16 0.0000 1 advect 1 1 14 14 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 14 14 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 14 14 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 4 4 14 14 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 5.6231e-02 -1.8619e-02 0.0000 - 1 advect 5 5 14 14 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.1919e-16 0.0000 + 1 advect 5 5 14 14 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 1.3878e-16 0.0000 1 advect 1 1 15 15 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 15 15 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 15 15 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 4 4 15 15 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 3.4111e-02 -2.2120e-02 0.0000 - 1 advect 5 5 15 15 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 2.6368e-16 0.0000 + 1 advect 5 5 15 15 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 4.1633e-16 0.0000 1 advect 1 1 16 16 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 16 16 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 16 16 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 4 4 16 16 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 1.1992e-02 -2.2120e-02 0.0000 - 1 advect 5 5 16 16 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.6082e-16 0.0000 + 1 advect 5 5 16 16 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.4694e-16 0.0000 1 advect 1 1 17 17 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 17 17 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 17 17 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 4 4 17 17 6.04808 3.80067 2.3768e-02 5.3187e-02 1.3507e-02 0.0000e+00 -1.1992e-02 -0.7856 - 1 advect 5 5 17 17 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.3307e-16 0.0000 + 1 advect 5 5 17 17 6.31505 3.57824 3.3904e-02 5.3197e-02 1.9373e-02 7.4850e-02 3.7470e-16 0.0000 1 advect 1 1 18 18 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 2 2 18 18 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 1 advect 3 3 18 18 3.3 4 1.1772e-02 5.3178e-02 6.7704e-03 0.0000e+00 0.0000e+00 -9.2390 diff --git a/mytest/connect_graph_101.sel b/mytest/connect_graph_101.sel index 497460a26..5e350970a 100644 --- a/mytest/connect_graph_101.sel +++ b/mytest/connect_graph_101.sel @@ -1,13 +1,13 @@ Mu SC - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 - 0.024000115309 2742.5219075688 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 + 0.024000115309 2742.5219040802 diff --git a/mytest/ddl_set.out b/mytest/ddl_set.out index 1d881397a..c33157b17 100644 --- a/mytest/ddl_set.out +++ b/mytest/ddl_set.out @@ -58,7 +58,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 92 Density (g/cm³) = 0.99712 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89051 + Viscosity (mPa s) = 0.89052 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.291e-03 Mass of water (kg) = 1.000e+00 @@ -83,7 +83,6 @@ H(0) 1.415e-25 Na 1.000e-03 Na+ 9.995e-04 9.603e-04 -3.000 -3.018 -0.017 -1.47 NaHPO4- 4.840e-07 4.652e-07 -6.315 -6.332 -0.017 33.51 - NaOH 9.717e-21 9.720e-21 -20.012 -20.012 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 P 7.082e-04 @@ -149,11 +148,11 @@ Hfo_w ----------------------------Description of solution---------------------------- pH = 10.568 Charge balance - pe = 7.244 Adjusted to redox equilibrium + pe = 7.245 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 124 Density (g/cm³) = 0.99709 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89042 + Viscosity (mPa s) = 0.89043 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.106e-03 Mass of water (kg) = 1.000e+00 @@ -173,14 +172,13 @@ Hfo_w OH- 3.888e-04 3.745e-04 -3.410 -3.427 -0.016 -4.11 H+ 2.801e-11 2.703e-11 -10.553 -10.568 -0.015 0.00 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 -H(0) 3.358e-39 - H2 1.679e-39 1.680e-39 -38.775 -38.775 0.000 28.61 +H(0) 3.349e-39 + H2 1.674e-39 1.675e-39 -38.776 -38.776 0.000 28.61 Na 1.000e-03 Na+ 9.997e-04 9.632e-04 -3.000 -3.016 -0.016 -1.48 NaHPO4- 3.305e-07 3.186e-07 -6.481 -6.497 -0.016 33.50 - NaOH 3.606e-17 3.607e-17 -16.443 -16.443 0.000 (0) -O(0) 2.954e-15 - O2 1.477e-15 1.478e-15 -14.831 -14.830 0.000 30.40 +O(0) 2.972e-15 + O2 1.486e-15 1.486e-15 -14.828 -14.828 0.000 30.40 P 2.011e-04 HPO4-2 1.967e-04 1.696e-04 -3.706 -3.771 -0.064 6.72 PO4-3 3.962e-06 2.829e-06 -5.402 -5.548 -0.146 -23.23 @@ -192,7 +190,7 @@ P 2.011e-04 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.67 -38.77 -3.10 H2 + H2(g) -35.67 -38.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -11.94 -14.83 -2.89 O2 diff --git a/mytest/ddl_set_101.sel b/mytest/ddl_set_101.sel index e71411b26..3198258e8 100644 --- a/mytest/ddl_set_101.sel +++ b/mytest/ddl_set_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.001290976751 92.0997819910 - 0.001105691598 124.9204831441 + 0.001290976751 92.0995391992 + 0.001105691598 124.9203330532 diff --git a/mytest/ddlsurf.out b/mytest/ddlsurf.out index 6b778bee4..7f9cd2e06 100644 --- a/mytest/ddlsurf.out +++ b/mytest/ddlsurf.out @@ -171,7 +171,6 @@ H(0) 3.570e-40 H2 1.785e-40 1.802e-40 -39.748 -39.744 0.004 28.61 Na 2.600e-02 Na+ 2.600e-02 2.175e-02 -1.585 -1.662 -0.077 -1.24 - NaOH 6.890e-19 6.955e-19 -18.162 -18.158 0.004 (0) O(0) 2.539e-13 O2 1.269e-13 1.281e-13 -12.896 -12.892 0.004 30.40 @@ -325,7 +324,7 @@ Using surface 1. Diffuse Double Layer Surface-Complexation Model Bfa - -2.643e-11 Surface + diffuse layer charge, eq + -2.644e-11 Surface + diffuse layer charge, eq 2.627e-01 Surface charge, eq 8.451e-02 sigma, C/m² 1.022e-01 psi, V @@ -358,7 +357,7 @@ Bfa BfaOH2+ 2.627e-01 0.011 2.627e-01 -0.580 Hfo - -3.775e-11 Surface + diffuse layer charge, eq + -3.776e-11 Surface + diffuse layer charge, eq 3.755e-01 Surface charge, eq 6.040e-04 sigma, C/m² 1.316e-03 psi, V @@ -393,10 +392,10 @@ Hfo_w Hfo_wO- 2.265e-02 0.023 2.265e-02 -1.645 Hfw - -5.327e-14 Surface + diffuse layer charge, eq + -5.305e-14 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -6.289e-12 psi, V + -6.290e-12 psi, V 2.448e-10 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 3.000e+01 specific area, m²/g @@ -432,8 +431,8 @@ X 6.000e+01 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - CaX2 2.338e+01 4.676e+01 7.794e-01 -0.000 - NaX 1.324e+01 1.324e+01 2.206e-01 -0.000 + CaX2 2.338e+01 4.676e+01 7.794e-01 0.000 + NaX 1.324e+01 1.324e+01 2.206e-01 0.000 -----------------------------Solution composition------------------------------ @@ -456,7 +455,7 @@ X 6.000e+01 mol Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.654e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.109e-15 + Electrical balance (eq) = -2.102e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (1337 overall) Total H = 1.110124e+02 @@ -476,13 +475,12 @@ Ca 4.800e-03 Cl 3.560e-02 Cl- 3.560e-02 2.947e-02 -1.449 -1.531 -0.082 18.23 HCl 3.086e-10 3.211e-10 -9.511 -9.493 0.017 (0) -H(0) 3.542e-40 - H2 1.771e-40 1.788e-40 -39.752 -39.748 0.004 28.61 +H(0) 3.541e-40 + H2 1.771e-40 1.787e-40 -39.752 -39.748 0.004 28.61 Na 2.600e-02 Na+ 2.600e-02 2.175e-02 -1.585 -1.662 -0.077 -1.24 - NaOH 6.890e-19 6.955e-19 -18.162 -18.158 0.004 (0) -O(0) 2.579e-13 - O2 1.290e-13 1.302e-13 -12.890 -12.886 0.004 30.40 +O(0) 2.580e-13 + O2 1.290e-13 1.302e-13 -12.889 -12.885 0.004 30.40 ------------------------------Saturation indices------------------------------- @@ -521,7 +519,7 @@ Using surface 1. Diffuse Double Layer Surface-Complexation Model Bfa - -2.636e-11 Surface + diffuse layer charge, eq + -2.637e-11 Surface + diffuse layer charge, eq 2.627e-01 Surface charge, eq 8.451e-02 sigma, C/m² 1.022e-01 psi, V @@ -554,7 +552,7 @@ Bfa BfaOH2+ 2.627e-01 0.011 2.627e-01 -0.580 Hfo - -3.768e-11 Surface + diffuse layer charge, eq + -3.770e-11 Surface + diffuse layer charge, eq 3.755e-01 Surface charge, eq 6.040e-04 sigma, C/m² 1.316e-03 psi, V @@ -589,11 +587,11 @@ Hfo_w Hfo_wO- 2.265e-02 0.023 2.265e-02 -1.645 Hfw - -5.272e-14 Surface + diffuse layer charge, eq + -5.317e-14 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -8.690e-12 psi, V - 3.383e-10 -F*psi/RT + -8.689e-12 psi, V + 3.382e-10 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 3.000e+01 specific area, m²/g 3.000e+07 m² for 1.000e+06 g @@ -642,7 +640,7 @@ Hfw Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.654e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.089e-15 + Electrical balance (eq) = -2.106e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (1337 overall) Total H = 1.110124e+02 @@ -666,7 +664,6 @@ H(0) 3.541e-40 H2 1.771e-40 1.787e-40 -39.752 -39.748 0.004 28.61 Na 2.600e-02 Na+ 2.600e-02 2.175e-02 -1.585 -1.662 -0.077 -1.24 - NaOH 6.890e-19 6.955e-19 -18.162 -18.158 0.004 (0) O(0) 2.580e-13 O2 1.290e-13 1.302e-13 -12.889 -12.885 0.004 30.40 diff --git a/mytest/ddlsurf_101.sel b/mytest/ddlsurf_101.sel index 5cafb94b0..9ee11c0bb 100644 --- a/mytest/ddlsurf_101.sel +++ b/mytest/ddlsurf_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.040400006516 4039.4018879002 - 0.040400006516 4039.4018879002 - 0.040400006516 4039.4018879002 - 0.040400006512 0.6830660140 - 0.040400006512 0.6830660141 + 0.040400006516 4039.4018627569 + 0.040400006516 4039.4018627569 + 0.040400006516 4039.4018627569 + 0.040400006512 0.6830660097 + 0.040400006512 0.6830660098 diff --git a/mytest/de.out b/mytest/de.out index b610b5cb0..9f48943d2 100644 --- a/mytest/de.out +++ b/mytest/de.out @@ -63,10 +63,10 @@ Initial solution 1. pH = 7.000 pe = -0.718 Equilibrium with Goethite - Specific Conductance (µS/cm, 10°C) = 386 + Specific Conductance (µS/cm, 10°C) = 385 Density (g/cm³) = 1.00013 Volume (L) = 1.00044 - Viscosity (mPa s) = 1.31078 + Viscosity (mPa s) = 1.31319 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.175e-03 Mass of water (kg) = 1.000e+00 @@ -180,10 +180,10 @@ Goethite 3.00 2.56 -0.44 1.070e-02 1.070e-02 -1.695e-15 pH = 7.000 Charge balance pe = -0.718 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 10°C) = 386 + Specific Conductance (µS/cm, 10°C) = 385 Density (g/cm³) = 1.00013 Volume (L) = 1.00044 - Viscosity (mPa s) = 1.31078 + Viscosity (mPa s) = 1.31319 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.175e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/de_101.sel b/mytest/de_101.sel index a7ef81a49..d8422f3ba 100644 --- a/mytest/de_101.sel +++ b/mytest/de_101.sel @@ -1,134 +1,134 @@ Mu SC - 0.009175023891 386.2733722022 - 0.009175023891 386.2733722023 - 0.009175023891 386.2733722022 - 0.009175023891 386.2733722022 - 0.008940983584 377.7490462211 - 0.009175023891 386.2733722029 - 0.008008699233 339.8302956520 - 0.008759131148 370.3427814359 - 0.008919794796 376.8739895532 - 0.008937939741 377.6203674674 - 0.008940406766 377.7241024747 - 0.008940841422 377.7428112343 - 0.008940942161 377.7472181686 - 0.008940970457 377.7484653565 - 0.008940979257 377.7488542799 - 0.008940982136 377.7489815977 - 0.008940982136 377.7489815977 - 0.008940961438 377.7480674422 - 0.008940783270 377.7402944621 - 0.008939104198 377.6693272399 - 0.008922304641 376.9782438250 - 0.008805355739 372.2214982196 - 0.008355260757 353.9588441685 - 0.007505832572 319.3852833906 - 0.006924301665 295.5626505131 - 0.007187224244 306.2487440397 - 0.007836241865 332.7155613428 - 0.008420101394 356.4890548777 - 0.008799589518 371.9319392403 - 0.009007027384 380.3809008319 - 0.009108947297 384.5409707015 - 0.009156200075 386.4753696751 - 0.009177699596 387.3580518202 - 0.009187613241 387.7653597431 - 0.009192346418 387.9585743484 - 0.009194690320 388.0518994482 - 0.009195866640 388.0954558629 - 0.009196431425 388.1120806356 - 0.009196652897 388.1127714309 - 0.009196668122 388.1031235064 - 0.009196550138 388.0861059482 - 0.009196339096 388.0633549436 - 0.009196057598 388.0358131448 - 0.009195719033 388.0040749058 - 0.009195331653 387.9685556659 - 0.009194901174 387.9295959951 - 0.009194432068 387.8875109419 - 0.008940983584 377.7490462211 - 0.009194432068 387.8875109397 - 0.008804465865 372.2117554676 - 0.008925553309 377.1164926823 - 0.008938919748 377.6627192611 - 0.008940617914 377.7333636457 - 0.008940898445 377.7453283034 - 0.008940959375 377.7479794991 - 0.008940975959 377.7487087662 - 0.008940981069 377.7489344162 - 0.008940982743 377.7490084602 - 0.008940983309 377.7490334826 - 0.008940983309 377.7490334826 - 0.008940978980 377.7488421432 - 0.008940942687 377.7472482866 - 0.008940649497 377.7346709494 - 0.008937748950 377.6142687275 - 0.008911122441 376.5290293885 - 0.008764946730 370.6050279410 - 0.008350301167 353.8019951432 - 0.007800830473 331.4611674666 - 0.007627749948 324.3575835390 - 0.007974521905 338.4179062029 - 0.008449800817 357.7192348852 - 0.008804834463 372.1457390970 - 0.009008840403 380.4494439679 - 0.009110515008 384.6002144523 - 0.009157394442 386.5217591706 - 0.009178322860 387.3836383003 - 0.009187775469 387.7745175691 - 0.009192205609 387.9578378958 - 0.009194379594 388.0470103674 - 0.009195484794 388.0909086005 - 0.009196049197 388.1113073909 - 0.009196320759 388.1184040295 - 0.009196422364 388.1171992298 - 0.009196417163 388.1102098749 - 0.009196338214 388.0987094636 - 0.009196202850 388.0833343252 - 0.009196020270 388.0644044116 - 0.009195795290 388.0420845674 - 0.009195530637 388.0164808303 - 0.009195228051 387.9876866744 - 0.008940983584 377.7490462211 - 0.009195228051 387.9876866737 - 0.008869355382 374.8456036445 - 0.008932662863 377.4073948650 - 0.008939795960 377.6991383705 - 0.008940758928 377.7393691701 - 0.008940928153 377.7466194668 - 0.008940967390 377.7483317848 - 0.008940978442 377.7488184062 - 0.008940981890 377.7489707234 - 0.008940983023 377.7490208289 - 0.008940983405 377.7490377582 - 0.008940983405 377.7490377582 - 0.008940980534 377.7489107963 - 0.008940957715 377.7479059338 - 0.008940790013 377.7406601364 - 0.008939191599 377.6739427772 - 0.008924054174 377.0554555461 - 0.008831110023 373.2872313218 - 0.008519010502 360.6517828920 - 0.008009630718 339.9795554750 - 0.007753899283 329.5319057553 - 0.008022398268 340.3894080332 - 0.008463023546 358.2657726980 - 0.008807745396 372.2655636829 - 0.009009480125 380.4743928525 - 0.009110469201 384.5970605876 - 0.009157154715 386.5111402102 - 0.009177899630 387.3660853110 - 0.009187222670 387.7521692725 - 0.009191575837 387.9328024363 - 0.009193711682 388.0208936998 - 0.009194805344 388.0648695639 - 0.009195376512 388.0862031665 - 0.009195667851 388.0949001362 - 0.009195798849 388.0958366518 - 0.009195830576 388.0914494271 - 0.009195794638 388.0829501718 - 0.009195707324 388.0709236898 - 0.009195576844 388.0556360270 - 0.009195407362 388.0372060919 - 0.009195200886 388.0156882226 - 0.009194958540 387.9911255249 + 0.009175023891 385.8594425405 + 0.009175023891 385.8594425406 + 0.009175023891 385.8594425405 + 0.009175023891 385.8594425405 + 0.008940983584 377.3439726815 + 0.009175023891 385.8594425412 + 0.008008699233 339.3852191479 + 0.008759131148 369.9193668721 + 0.008919794796 376.4625957401 + 0.008937939741 377.2132417286 + 0.008940406766 377.3183786522 + 0.008940841422 377.3375288900 + 0.008940942161 377.3420764980 + 0.008940970457 377.3433692425 + 0.008940979257 377.3437731543 + 0.008940982136 377.3439054793 + 0.008940982136 377.3439054792 + 0.008940961438 377.3429563824 + 0.008940783270 377.3349424751 + 0.008939104198 377.2628355873 + 0.008922304641 376.5679022448 + 0.008805355739 371.8021761343 + 0.008355260757 353.5270694484 + 0.007505832572 318.9507986461 + 0.006924301665 295.1313377669 + 0.007187224244 305.7968537338 + 0.007836241865 332.2404087514 + 0.008420101394 356.0068960888 + 0.008799589518 371.4557469508 + 0.009007027384 379.9152893754 + 0.009108947297 384.0854627652 + 0.009156200075 386.0276759491 + 0.009177699596 386.9157759616 + 0.009187613241 387.3266013047 + 0.009192346418 387.5220123669 + 0.009194690320 387.6166891661 + 0.009195866640 387.6610906058 + 0.009196431425 387.6782746948 + 0.009196652897 387.6793760076 + 0.009196668122 387.6700714996 + 0.009196550138 387.6533775905 + 0.009196339096 387.6309570780 + 0.009196057598 387.6037669430 + 0.009195719033 387.5724085951 + 0.009195331653 387.5373002126 + 0.009194901174 387.4987824761 + 0.009194432068 387.4571689140 + 0.008940983584 377.3439726815 + 0.009194432068 387.4571689118 + 0.008804465865 371.7938494599 + 0.008925553309 376.7074390028 + 0.008938919748 377.2564474941 + 0.008940617914 377.3279141288 + 0.008940898445 377.3401350728 + 0.008940959375 377.3428668017 + 0.008940975959 377.3436221770 + 0.008940981069 377.3438564592 + 0.008940982743 377.3439334076 + 0.008940983309 377.3439594206 + 0.008940983309 377.3439594206 + 0.008940978980 377.3437606042 + 0.008940942687 377.3421106469 + 0.008940649497 377.3292359564 + 0.008937748950 377.2076690601 + 0.008911122441 376.1191629721 + 0.008764946730 370.1889019443 + 0.008350301167 353.3782696899 + 0.007800830473 331.0313809224 + 0.007627749948 323.9150105789 + 0.007974521905 337.9533635725 + 0.008449800817 357.2420061927 + 0.008804834463 371.6700018427 + 0.009008840403 379.9826342100 + 0.009110515008 384.1433983348 + 0.009157394442 386.0731043423 + 0.009178322860 386.9407335985 + 0.009187775469 387.3353372072 + 0.009192205609 387.5209480602 + 0.009194379594 387.6114886350 + 0.009195484794 387.6561994026 + 0.009196049197 387.6770943423 + 0.009196320759 387.6845179772 + 0.009196422364 387.6835584254 + 0.009196417163 387.6767833216 + 0.009196338214 387.6654952544 + 0.009196202850 387.6503470826 + 0.009196020270 387.6316680106 + 0.009195795290 387.6096278713 + 0.009195530637 387.5843350868 + 0.009195228051 387.5558838480 + 0.008940983584 377.3439726815 + 0.009195228051 387.5558838473 + 0.008869355382 374.4309241575 + 0.008932662863 376.9995131601 + 0.008939795960 377.2932203249 + 0.008940758928 377.3340350235 + 0.008940928153 377.3414633145 + 0.008940967390 377.3432314075 + 0.008940978442 377.3437359738 + 0.008940981890 377.3438941857 + 0.008940983023 377.3439462653 + 0.008940983405 377.3439638659 + 0.008940983405 377.3439638659 + 0.008940980534 377.3438319089 + 0.008940957715 377.3427899254 + 0.008940790013 377.3353450707 + 0.008939191599 377.2678112771 + 0.008924054174 376.6468528205 + 0.008831110023 372.8735645395 + 0.008519010502 360.2316216183 + 0.008009630718 339.5536042528 + 0.007753899283 329.0940864130 + 0.008022398268 339.9292313450 + 0.008463023546 357.7909283932 + 0.008807745396 371.7904813351 + 0.009009480125 380.0074039967 + 0.009110469201 384.1398329830 + 0.009157154715 386.0620978574 + 0.009177899630 386.9228778592 + 0.009187222670 387.3127598619 + 0.009191575837 387.4957312836 + 0.009193711682 387.5852156251 + 0.009194805344 387.6300127603 + 0.009195376512 387.6518403408 + 0.009195667851 387.6608547015 + 0.009195798849 387.6620214695 + 0.009195830576 387.6578292651 + 0.009195794638 387.6495195857 + 0.009195707324 387.6376942604 + 0.009195576844 387.6226290359 + 0.009195407362 387.6044482495 + 0.009195200886 387.5832091075 + 0.009194958540 387.5589559456 diff --git a/mytest/deb1.out b/mytest/deb1.out index c036b9a61..08a7ad2fd 100644 --- a/mytest/deb1.out +++ b/mytest/deb1.out @@ -147,7 +147,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -287,7 +286,6 @@ H(0) 4.394e-39 H2 2.197e-39 2.197e-39 -38.658 -38.658 0.000 28.61 Na 1.744e-05 Na+ 1.744e-05 1.736e-05 -4.758 -4.761 -0.002 -1.52 - NaOH 1.724e-21 1.724e-21 -20.763 -20.763 0.000 (0) O(0) 1.727e-15 O2 8.635e-16 8.635e-16 -15.064 -15.064 0.000 30.40 @@ -469,7 +467,6 @@ H(0) 2.037e-14 H2 1.019e-14 1.019e-14 -13.992 -13.992 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.396 -64.396 0.000 30.40 @@ -564,7 +561,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -659,7 +655,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -754,7 +749,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -849,7 +843,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -944,7 +937,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -1039,7 +1031,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -1134,7 +1125,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -1229,7 +1219,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -1324,7 +1313,6 @@ H(0) 2.043e-14 H2 1.022e-14 1.022e-14 -13.991 -13.991 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.399 -64.399 0.000 30.40 @@ -1432,7 +1420,7 @@ Su Cl 1.2570e-06 H 3.8682e-06 Na 9.9739e-04 - O 1.0199e-10 + O 1.0198e-10 Su 1.000e-03 moles @@ -1451,7 +1439,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.151 Charge balance - pe = 12.601 Adjusted to redox equilibrium + pe = 12.600 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6 Density (g/cm³) = 0.99705 Volume (L) = 0.39135 @@ -1482,9 +1470,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.654 -40.654 0.000 28.61 Na 1.848e-04 Na+ 1.848e-04 1.819e-04 -3.733 -3.740 -0.007 -1.50 - NaOH 2.609e-22 2.609e-22 -21.584 -21.584 0.000 (0) -O(0) 1.694e-11 - O2 8.471e-12 8.471e-12 -11.072 -11.072 0.000 30.40 +O(0) 1.691e-11 + O2 8.454e-12 8.454e-12 -11.073 -11.073 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1512,7 +1499,7 @@ Mixture 2. Diffuse Double Layer Surface-Complexation Model Su - -8.681e-14 Surface + diffuse layer charge, eq + -8.733e-14 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -1.032e-01 psi, V @@ -1533,7 +1520,7 @@ Su Cl 3.8757e-06 H 2.1501e-06 Na 1.0017e-03 - O 7.9247e-11 + O 7.9269e-11 Su 1.000e-03 moles @@ -1552,7 +1539,7 @@ Su ----------------------------Description of solution---------------------------- pH = 5.977 Charge balance - pe = 12.836 Adjusted to redox equilibrium + pe = 12.837 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 29 Density (g/cm³) = 0.99706 Volume (L) = 0.39135 @@ -1562,7 +1549,7 @@ Su Mass of water (kg) = 2.666e-01 Total alkalinity (eq/kg) = -1.072e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.745e-10 + Electrical balance (eq) = 1.544e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (16 overall) Total H = 2.960056e+01 @@ -1580,21 +1567,20 @@ Cl 5.048e-04 Cl- 5.048e-04 4.920e-04 -3.297 -3.308 -0.011 18.07 HCl 1.787e-10 1.788e-10 -9.748 -9.748 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.775 -40.775 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.777 -40.777 0.000 28.61 Na 5.038e-04 Na+ 5.038e-04 4.911e-04 -3.298 -3.309 -0.011 -1.49 - NaOH 4.712e-22 4.712e-22 -21.327 -21.327 0.000 (0) -O(0) 2.963e-11 - O2 1.482e-11 1.482e-11 -10.829 -10.829 0.000 30.40 +O(0) 2.981e-11 + O2 1.491e-11 1.491e-11 -10.827 -10.827 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.67 -40.78 -3.10 H2 + H2(g) -37.68 -40.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -8.19 -6.62 1.57 NaCl - O2(g) -7.94 -10.83 -2.89 O2 + O2(g) -7.93 -10.83 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1613,7 +1599,7 @@ Mixture 3. Diffuse Double Layer Surface-Complexation Model Su - -8.486e-14 Surface + diffuse layer charge, eq + -8.595e-14 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -9.416e-02 psi, V @@ -1634,7 +1620,7 @@ Su Cl 5.7704e-06 H 1.3068e-06 Na 1.0045e-03 - O 9.4049e-11 + O 9.4101e-11 Su 1.000e-03 moles @@ -1653,7 +1639,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.036 Charge balance - pe = 12.814 Adjusted to redox equilibrium + pe = 12.815 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 48 Density (g/cm³) = 0.99707 Volume (L) = 0.39135 @@ -1663,7 +1649,7 @@ Su Mass of water (kg) = 2.858e-01 Total alkalinity (eq/kg) = -9.368e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.175e-10 + Electrical balance (eq) = 2.174e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (15 overall) Total H = 3.172492e+01 @@ -1681,12 +1667,11 @@ Cl 7.296e-04 Cl- 7.296e-04 7.075e-04 -3.137 -3.150 -0.013 18.07 HCl 2.242e-10 2.243e-10 -9.649 -9.649 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.850 -40.850 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.853 -40.853 0.000 28.61 Na 7.286e-04 Na+ 7.286e-04 7.068e-04 -3.137 -3.151 -0.013 -1.48 - NaOH 7.771e-22 7.772e-22 -21.110 -21.109 0.000 (0) -O(0) 4.176e-11 - O2 2.088e-11 2.088e-11 -10.680 -10.680 0.000 30.40 +O(0) 4.226e-11 + O2 2.113e-11 2.113e-11 -10.675 -10.675 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1695,7 +1680,7 @@ O(0) 4.176e-11 H2(g) -37.75 -40.85 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.87 -6.30 1.57 NaCl - O2(g) -7.79 -10.68 -2.89 O2 + O2(g) -7.78 -10.68 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1714,7 +1699,7 @@ Mixture 4. Diffuse Double Layer Surface-Complexation Model Su - -5.918e-14 Surface + diffuse layer charge, eq + -5.952e-14 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -8.981e-02 psi, V @@ -1735,7 +1720,7 @@ Su Cl 6.9861e-06 H 8.1858e-07 Na 1.0062e-03 - O 1.2633e-10 + O 1.2636e-10 Su 1.000e-03 moles @@ -1754,7 +1739,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.163 Charge balance - pe = 12.696 Adjusted to redox equilibrium + pe = 12.697 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 61 Density (g/cm³) = 0.99708 Volume (L) = 0.39135 @@ -1764,7 +1749,7 @@ Su Mass of water (kg) = 2.941e-01 Total alkalinity (eq/kg) = -6.943e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.159e-10 + Electrical balance (eq) = 2.154e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (15 overall) Total H = 3.264744e+01 @@ -1782,12 +1767,11 @@ Cl 8.727e-04 Cl- 8.727e-04 8.440e-04 -3.059 -3.074 -0.015 18.07 HCl 1.996e-10 1.997e-10 -9.700 -9.700 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.869 -40.869 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.870 -40.870 0.000 28.61 Na 8.720e-04 Na+ 8.720e-04 8.435e-04 -3.059 -3.074 -0.014 -1.48 - NaOH 1.242e-21 1.243e-21 -20.906 -20.906 0.000 (0) -O(0) 4.557e-11 - O2 2.279e-11 2.279e-11 -10.642 -10.642 0.000 30.40 +O(0) 4.582e-11 + O2 2.291e-11 2.292e-11 -10.640 -10.640 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1815,7 +1799,7 @@ Mixture 5. Diffuse Double Layer Surface-Complexation Model Su - -5.931e-14 Surface + diffuse layer charge, eq + -2.431e-13 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -8.780e-02 psi, V @@ -1836,7 +1820,7 @@ Su Cl 7.6310e-06 H 5.2593e-07 Na 1.0071e-03 - O 1.7948e-10 + O 1.7967e-10 Su 1.000e-03 moles @@ -1855,7 +1839,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.320 Charge balance - pe = 12.513 Adjusted to redox equilibrium + pe = 12.520 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 67 Density (g/cm³) = 0.99708 Volume (L) = 0.39135 @@ -1865,9 +1849,9 @@ Su Mass of water (kg) = 2.977e-01 Total alkalinity (eq/kg) = -4.731e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.150e-10 + Electrical balance (eq) = 2.151e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (15 overall) + Iterations = 0 (14 overall) Total H = 3.305272e+01 Total O = 1.652636e+01 @@ -1883,21 +1867,20 @@ Cl 9.484e-04 Cl- 9.484e-04 9.159e-04 -3.023 -3.038 -0.015 18.07 HCl 1.509e-10 1.510e-10 -9.821 -9.821 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.817 -40.817 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.829 -40.829 0.000 28.61 Na 9.479e-04 Na+ 9.479e-04 9.157e-04 -3.023 -3.038 -0.015 -1.48 - NaOH 1.936e-21 1.936e-21 -20.713 -20.713 0.000 (0) -O(0) 3.586e-11 - O2 1.793e-11 1.793e-11 -10.746 -10.746 0.000 30.40 +O(0) 3.796e-11 + O2 1.898e-11 1.898e-11 -10.722 -10.722 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.72 -40.82 -3.10 H2 + H2(g) -37.73 -40.83 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.65 -6.08 1.57 NaCl - O2(g) -7.85 -10.75 -2.89 O2 + O2(g) -7.83 -10.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1916,7 +1899,7 @@ Mixture 6. Diffuse Double Layer Surface-Complexation Model Su - -6.282e-14 Surface + diffuse layer charge, eq + -6.359e-14 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -8.697e-02 psi, V @@ -1937,7 +1920,7 @@ Su Cl 7.9166e-06 H 3.4766e-07 Na 1.0076e-03 - O 2.6009e-10 + O 2.6011e-10 Su 1.000e-03 moles @@ -1956,7 +1939,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.485 Charge balance - pe = 12.278 Adjusted to redox equilibrium + pe = 12.279 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 71 Density (g/cm³) = 0.99708 Volume (L) = 0.39135 @@ -1966,7 +1949,7 @@ Su Mass of water (kg) = 2.992e-01 Total alkalinity (eq/kg) = -3.065e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.148e-10 + Electrical balance (eq) = 2.150e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (15 overall) Total H = 3.321764e+01 @@ -1984,21 +1967,20 @@ Cl 9.819e-04 Cl- 9.819e-04 9.477e-04 -3.008 -3.023 -0.015 18.07 HCl 1.067e-10 1.068e-10 -9.972 -9.971 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.676 -40.676 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.678 -40.678 0.000 28.61 Na 9.816e-04 Na+ 9.816e-04 9.477e-04 -3.008 -3.023 -0.015 -1.48 - NaOH 2.931e-21 2.931e-21 -20.533 -20.533 0.000 (0) -O(0) 1.873e-11 - O2 9.364e-12 9.366e-12 -11.029 -11.028 0.000 30.40 +O(0) 1.893e-11 + O2 9.465e-12 9.467e-12 -11.024 -11.024 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.57 -40.68 -3.10 H2 + H2(g) -37.58 -40.68 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.62 -6.05 1.57 NaCl - O2(g) -8.14 -11.03 -2.89 O2 + O2(g) -8.13 -11.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2017,7 +1999,7 @@ Mixture 7. Diffuse Double Layer Surface-Complexation Model Su - -9.749e-14 Surface + diffuse layer charge, eq + -9.868e-14 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -8.666e-02 psi, V @@ -2038,7 +2020,7 @@ Su Cl 8.0239e-06 H 2.4024e-07 Na 1.0078e-03 - O 3.7076e-10 + O 3.7077e-10 Su 1.000e-03 moles @@ -2057,7 +2039,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.641 Charge balance - pe = 12.042 Adjusted to redox equilibrium + pe = 12.043 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 72 Density (g/cm³) = 0.99708 Volume (L) = 0.39135 @@ -2067,7 +2049,7 @@ Su Mass of water (kg) = 2.998e-01 Total alkalinity (eq/kg) = -1.909e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.154e-10 + Electrical balance (eq) = 2.148e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (15 overall) Total H = 3.327756e+01 @@ -2085,21 +2067,20 @@ Cl 9.945e-04 Cl- 9.945e-04 9.597e-04 -3.002 -3.018 -0.015 18.07 HCl 7.556e-11 7.563e-11 -10.122 -10.121 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.515 -40.515 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.518 -40.518 0.000 28.61 Na 9.943e-04 Na+ 9.943e-04 9.598e-04 -3.002 -3.018 -0.015 -1.48 - NaOH 4.245e-21 4.246e-21 -20.372 -20.372 0.000 (0) -O(0) 8.934e-12 - O2 4.467e-12 4.468e-12 -11.350 -11.350 0.000 30.40 +O(0) 9.047e-12 + O2 4.524e-12 4.525e-12 -11.345 -11.344 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.41 -40.52 -3.10 H2 + H2(g) -37.42 -40.52 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.61 -6.04 1.57 NaCl - O2(g) -8.46 -11.35 -2.89 O2 + O2(g) -8.45 -11.34 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2118,7 +2099,7 @@ Mixture 8. Diffuse Double Layer Surface-Complexation Model Su - -1.301e-13 Surface + diffuse layer charge, eq + -1.291e-13 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -8.657e-02 psi, V @@ -2168,7 +2149,7 @@ Su Mass of water (kg) = 2.999e-01 Total alkalinity (eq/kg) = -1.144e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.158e-10 + Electrical balance (eq) = 2.150e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (16 overall) Total H = 3.329672e+01 @@ -2186,21 +2167,20 @@ Cl 9.985e-04 Cl- 9.985e-04 9.635e-04 -3.001 -3.016 -0.016 18.07 HCl 5.641e-11 5.646e-11 -10.249 -10.248 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.398 -40.397 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.396 -40.396 0.000 28.61 Na 9.984e-04 Na+ 9.984e-04 9.637e-04 -3.001 -3.016 -0.015 -1.48 - NaOH 5.732e-21 5.734e-21 -20.242 -20.242 0.000 (0) -O(0) 5.196e-12 - O2 2.598e-12 2.599e-12 -11.585 -11.585 0.000 30.40 +O(0) 5.161e-12 + O2 2.581e-12 2.581e-12 -11.588 -11.588 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.30 -40.40 -3.10 H2 + H2(g) -37.29 -40.40 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.60 -6.03 1.57 NaCl - O2(g) -8.69 -11.59 -2.89 O2 + O2(g) -8.70 -11.59 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2219,7 +2199,7 @@ Mixture 9. Diffuse Double Layer Surface-Complexation Model Su - -7.325e-14 Surface + diffuse layer charge, eq + -6.780e-14 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -8.654e-02 psi, V @@ -2240,7 +2220,7 @@ Su Cl 8.0682e-06 H 1.4517e-07 Na 1.0079e-03 - O 6.1131e-10 + O 6.1129e-10 Su 1.000e-03 moles @@ -2259,7 +2239,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.858 Charge balance - pe = 11.731 Adjusted to redox equilibrium + pe = 11.723 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 72 Density (g/cm³) = 0.99708 Volume (L) = 0.39135 @@ -2269,7 +2249,7 @@ Su Mass of water (kg) = 3.000e-01 Total alkalinity (eq/kg) = -6.771e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.164e-10 + Electrical balance (eq) = 2.149e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (17 overall) Total H = 3.330208e+01 @@ -2287,21 +2267,20 @@ Cl 9.997e-04 Cl- 9.997e-04 9.646e-04 -3.000 -3.016 -0.016 18.07 HCl 4.600e-11 4.605e-11 -10.337 -10.337 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.328 -40.328 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.312 -40.312 0.000 28.61 Na 9.996e-04 Na+ 9.996e-04 9.648e-04 -3.000 -3.016 -0.015 -1.48 - NaOH 7.045e-21 7.047e-21 -20.152 -20.152 0.000 (0) -O(0) 3.768e-12 - O2 1.884e-12 1.885e-12 -11.725 -11.725 0.000 30.40 +O(0) 3.504e-12 + O2 1.752e-12 1.752e-12 -11.756 -11.756 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.23 -40.33 -3.10 H2 + H2(g) -37.21 -40.31 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.60 -6.03 1.57 NaCl - O2(g) -8.83 -11.72 -2.89 O2 + O2(g) -8.86 -11.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2320,7 +2299,7 @@ Mixture 10. Diffuse Double Layer Surface-Complexation Model Su - -7.831e-14 Surface + diffuse layer charge, eq + -6.224e-14 Surface + diffuse layer charge, eq -1.000e-03 Surface charge, eq -9.649e-03 sigma, C/m² -8.653e-02 psi, V @@ -2341,7 +2320,7 @@ Su Cl 8.0704e-06 H 1.3115e-07 Na 1.0079e-03 - O 6.7711e-10 + O 6.7706e-10 Su 1.000e-03 moles @@ -2360,7 +2339,7 @@ Su ----------------------------Description of solution---------------------------- pH = 6.903 Charge balance - pe = 11.682 Adjusted to redox equilibrium + pe = 11.665 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 72 Density (g/cm³) = 0.99708 Volume (L) = 0.39135 @@ -2370,7 +2349,7 @@ Su Mass of water (kg) = 3.000e-01 Total alkalinity (eq/kg) = -4.561e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.149e-10 + Electrical balance (eq) = 2.160e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (17 overall) Total H = 3.330335e+01 @@ -2388,21 +2367,20 @@ Cl 9.999e-04 Cl- 9.999e-04 9.648e-04 -3.000 -3.016 -0.016 18.07 HCl 4.154e-11 4.158e-11 -10.382 -10.381 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.320 -40.320 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.286 -40.286 0.000 28.61 Na 9.999e-04 Na+ 9.999e-04 9.651e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 7.806e-21 7.808e-21 -20.108 -20.107 0.000 (0) -O(0) 3.638e-12 - O2 1.819e-12 1.820e-12 -11.740 -11.740 0.000 30.40 +O(0) 3.113e-12 + O2 1.556e-12 1.557e-12 -11.808 -11.808 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.22 -40.32 -3.10 H2 + H2(g) -37.19 -40.29 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.60 -6.03 1.57 NaCl - O2(g) -8.85 -11.74 -2.89 O2 + O2(g) -8.92 -11.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/deb1_101.sel b/mytest/deb1_101.sel index d8f84985b..8e534c79a 100644 --- a/mytest/deb1_101.sel +++ b/mytest/deb1_101.sel @@ -1,27 +1,27 @@ Mu SC 0.000000100661 0.0546997340 - 0.001000103455 122.9170047641 - 0.001000103459 122.9170047592 - 0.000017453800 0.4550861107 - 0.000000100645 0.0546913855 - 0.001000103776 72.6609470683 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.001000103776 72.6609470695 - 0.000000100645 0.0546913855 - 0.000185491010 6.0520551745 - 0.000504849904 29.2941023951 - 0.000729589820 48.3833435669 - 0.000872718809 61.1151376835 - 0.000948430813 67.9723211349 - 0.000981936640 71.0225364065 - 0.000994531695 72.1660979636 - 0.000998606633 72.5324476059 - 0.000999750762 72.6332929937 - 0.001000021189 72.6563833318 + 0.001000103455 122.9170047359 + 0.001000103459 122.9170047310 + 0.000017453800 0.4550861110 + 0.000000100645 0.0546913856 + 0.001000103776 72.6609470516 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.001000103776 72.6609470528 + 0.000000100645 0.0546913856 + 0.000185491012 6.0520552616 + 0.000504849894 29.2941020421 + 0.000729589810 48.3833426604 + 0.000872718803 61.1151371448 + 0.000948430810 67.9723208450 + 0.000981936639 71.0225362502 + 0.000994531694 72.1660978812 + 0.000998606631 72.5324475277 + 0.000999750761 72.6332929673 + 0.001000021189 72.6563832608 diff --git a/mytest/deb2.out b/mytest/deb2.out index 765d44cc6..bbca3a602 100644 --- a/mytest/deb2.out +++ b/mytest/deb2.out @@ -104,7 +104,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -310,7 +309,6 @@ H(0) 1.416e-23 H2 7.078e-24 7.079e-24 -23.150 -23.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.080 -46.080 0.000 30.40 @@ -464,7 +462,6 @@ H(0) 1.934e-39 H2 9.669e-40 9.671e-40 -39.015 -39.015 0.000 28.61 Na 9.966e-04 Na+ 9.966e-04 9.619e-04 -3.001 -3.017 -0.015 -1.48 - NaOH 9.727e-21 9.729e-21 -20.012 -20.012 0.000 (0) O(0) 8.911e-15 O2 4.456e-15 4.457e-15 -14.351 -14.351 0.000 30.40 @@ -615,7 +612,6 @@ H(0) 1.003e-09 H2 5.016e-10 5.017e-10 -9.300 -9.300 0.000 28.61 Na 9.867e-04 Na+ 9.867e-04 9.526e-04 -3.006 -3.021 -0.015 -1.48 - NaOH 9.614e-21 9.616e-21 -20.017 -20.017 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.781 -73.781 0.000 30.40 @@ -766,7 +762,6 @@ H(0) 2.760e-09 H2 1.380e-09 1.380e-09 -8.860 -8.860 0.000 28.61 Na 9.639e-04 Na+ 9.639e-04 9.310e-04 -3.016 -3.031 -0.015 -1.48 - NaOH 9.356e-21 9.359e-21 -20.029 -20.029 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -74.660 -74.660 0.000 30.40 @@ -917,7 +912,6 @@ H(0) 6.046e-09 H2 3.023e-09 3.023e-09 -8.520 -8.520 0.000 28.61 Na 9.236e-04 Na+ 9.236e-04 8.926e-04 -3.035 -3.049 -0.015 -1.48 - NaOH 8.909e-21 8.911e-21 -20.050 -20.050 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -75.341 -75.341 0.000 30.40 @@ -1068,7 +1062,6 @@ H(0) 1.197e-09 H2 5.983e-10 5.984e-10 -9.223 -9.223 0.000 28.61 Na 8.690e-04 Na+ 8.690e-04 8.407e-04 -3.061 -3.075 -0.014 -1.48 - NaOH 8.326e-21 8.328e-21 -20.080 -20.079 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.934 -73.934 0.000 30.40 @@ -1219,7 +1212,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.514 -41.514 0.000 28.61 Na 8.107e-04 Na+ 8.107e-04 7.851e-04 -3.091 -3.105 -0.014 -1.48 - NaOH 7.728e-21 7.729e-21 -20.112 -20.112 0.000 (0) O(0) 8.880e-10 O2 4.440e-10 4.441e-10 -9.353 -9.353 0.000 30.40 @@ -1370,7 +1362,6 @@ H(0) 5.192e-10 H2 2.596e-10 2.596e-10 -9.586 -9.586 0.000 28.61 Na 6.486e-04 Na+ 6.486e-04 6.301e-04 -3.188 -3.201 -0.013 -1.49 - NaOH 6.213e-21 6.214e-21 -20.207 -20.207 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.209 -73.209 0.000 30.40 @@ -1521,7 +1512,6 @@ H(0) 2.993e-09 H2 1.497e-09 1.497e-09 -8.825 -8.825 0.000 28.61 Na 5.366e-04 Na+ 5.366e-04 5.226e-04 -3.270 -3.282 -0.011 -1.49 - NaOH 5.290e-21 5.291e-21 -20.277 -20.276 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -74.730 -74.730 0.000 30.40 @@ -1651,7 +1641,7 @@ Su Mass of water (kg) = 1.506e-02 Total alkalinity (eq/kg) = 9.158e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.807e-10 + Electrical balance (eq) = -6.806e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (30 overall) Total H = 1.671803e+00 @@ -1668,11 +1658,10 @@ Su Cl 4.590e-04 Cl- 4.590e-04 4.479e-04 -3.338 -3.349 -0.011 18.06 HCl 1.485e-11 1.485e-11 -10.828 -10.828 0.000 (0) -H(0) 7.265e-09 +H(0) 7.264e-09 H2 3.632e-09 3.633e-09 -8.440 -8.440 0.000 28.61 Na 4.589e-04 Na+ 4.589e-04 4.479e-04 -3.338 -3.349 -0.011 -1.49 - NaOH 4.708e-21 4.709e-21 -20.327 -20.327 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -75.501 -75.500 0.000 30.40 @@ -1823,7 +1812,6 @@ H(0) 1.418e-08 H2 7.090e-09 7.091e-09 -8.149 -8.149 0.000 28.61 Na 4.024e-04 Na+ 4.024e-04 3.933e-04 -3.395 -3.405 -0.010 -1.49 - NaOH 4.314e-21 4.315e-21 -20.365 -20.365 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -76.081 -76.081 0.000 30.40 @@ -1974,7 +1962,6 @@ H(0) 2.061e-08 H2 1.030e-08 1.031e-08 -7.987 -7.987 0.000 28.61 Na 3.598e-04 Na+ 3.598e-04 3.520e-04 -3.444 -3.453 -0.009 -1.50 - NaOH 4.033e-21 4.033e-21 -20.394 -20.394 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -76.406 -76.406 0.000 30.40 @@ -2125,7 +2112,6 @@ H(0) 3.135e-08 H2 1.567e-08 1.567e-08 -7.805 -7.805 0.000 28.61 Na 3.266e-04 Na+ 3.266e-04 3.199e-04 -3.486 -3.495 -0.009 -1.50 - NaOH 3.823e-21 3.823e-21 -20.418 -20.418 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -76.770 -76.770 0.000 30.40 @@ -2205,7 +2191,7 @@ Hfo_w Hfo_wO- 1.076e-04 0.108 1.089e-02 -1.963 Su - -7.086e-10 Surface + diffuse layer charge, eq + -7.087e-10 Surface + diffuse layer charge, eq -1.000e-01 Surface charge, eq -9.649e-01 sigma, C/m² -3.523e-01 psi, V @@ -2276,7 +2262,6 @@ H(0) 4.162e-08 H2 2.081e-08 2.081e-08 -7.682 -7.682 0.000 28.61 Na 3.002e-04 Na+ 3.002e-04 2.943e-04 -3.523 -3.531 -0.009 -1.50 - NaOH 3.662e-21 3.662e-21 -20.436 -20.436 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -77.017 -77.017 0.000 30.40 @@ -2436,7 +2421,6 @@ H(0) 5.152e-08 H2 2.576e-08 2.576e-08 -7.589 -7.589 0.000 28.61 Na 2.788e-04 Na+ 2.788e-04 2.735e-04 -3.555 -3.563 -0.008 -1.50 - NaOH 3.535e-21 3.536e-21 -20.452 -20.452 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -77.202 -77.202 0.000 30.40 diff --git a/mytest/deb2_101.sel b/mytest/deb2_101.sel index 583ed0eec..f6bfdf7a8 100644 --- a/mytest/deb2_101.sel +++ b/mytest/deb2_101.sel @@ -1,18 +1,18 @@ Mu SC - 0.001000103455 122.9170047641 - 0.001000103459 122.9170047592 - 0.001000103459 101.6738141265 - 0.000996664343 85.8233491997 - 0.000986817686 64.1900901583 - 0.000964057806 40.8316180522 - 0.000923696419 21.7963102911 - 0.000869156869 10.0479831326 - 0.000810763984 4.2485215682 - 0.000648663792 3.2029196408 - 0.000536668411 2.6542978165 - 0.000459060127 2.2733532147 - 0.000402571121 1.9956459404 - 0.000359892218 1.7855630093 - 0.000326718481 1.6221193032 - 0.000300341485 1.4920471497 - 0.000278989857 1.3866794462 + 0.001000103455 122.9170047359 + 0.001000103459 122.9170047310 + 0.001000103459 101.6738141032 + 0.000996664343 85.8233491800 + 0.000986817686 64.1900901437 + 0.000964057806 40.8316180431 + 0.000923696419 21.7963102864 + 0.000869156869 10.0479831306 + 0.000810763984 4.2485215673 + 0.000648663792 3.2029196403 + 0.000536668411 2.6542978161 + 0.000459060127 2.2733532130 + 0.000402571121 1.9956459386 + 0.000359892218 1.7855630070 + 0.000326718481 1.6221193063 + 0.000300341486 1.4920471516 + 0.000278989858 1.3866794504 diff --git a/mytest/debye1.out b/mytest/debye1.out index 474463e1d..ea7123141 100644 --- a/mytest/debye1.out +++ b/mytest/debye1.out @@ -90,7 +90,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -122,7 +121,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -261,7 +260,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -293,7 +291,7 @@ Using solution 1. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -364,7 +362,7 @@ Using solution 2. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -435,7 +433,7 @@ Using solution 3. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -506,7 +504,7 @@ Using solution 4. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -577,7 +575,7 @@ Using solution 5. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -648,7 +646,7 @@ Using solution 6. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -719,7 +717,7 @@ Using solution 7. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -790,7 +788,7 @@ Using solution 8. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -861,7 +859,7 @@ Using solution 9. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -932,7 +930,7 @@ Using solution 10. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -1036,7 +1034,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -1072,7 +1069,7 @@ Mixture 1. ----------------------------Description of solution---------------------------- pH = 7.074 Charge balance - pe = 11.188 Adjusted to redox equilibrium + pe = 11.192 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6956 Density (g/cm³) = 0.99968 Volume (L) = 1.00406 @@ -1083,7 +1080,7 @@ Mixture 1. Total alkalinity (eq/kg) = 9.285e-05 Total CO2 (mol/kg) = 1.064e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.491e-13 + Electrical balance (eq) = -1.489e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110125e+02 @@ -1098,7 +1095,7 @@ Mixture 1. H+ 9.987e-08 8.427e-08 -7.001 -7.074 -0.074 0.00 H2O 5.551e+01 9.978e-01 1.744 -0.001 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.569 -126.563 0.006 35.46 + CH4 0.000e+00 0.000e+00 -126.602 -126.596 0.006 35.46 C(4) 1.064e-04 HCO3- 8.942e-05 7.285e-05 -4.049 -4.138 -0.089 24.83 CO2 1.370e-05 1.383e-05 -4.863 -4.859 0.004 34.43 @@ -1115,14 +1112,13 @@ Ca 5.068e-05 Cl 6.374e-02 Cl- 6.374e-02 5.087e-02 -1.196 -1.294 -0.098 18.28 HCl 1.387e-09 1.477e-09 -8.858 -8.831 0.027 (0) -H(0) 4.175e-40 - H2 2.088e-40 2.119e-40 -39.680 -39.674 0.006 28.61 +H(0) 4.096e-40 + H2 2.048e-40 2.079e-40 -39.689 -39.682 0.006 28.61 Na 6.374e-02 Na+ 6.373e-02 5.168e-02 -1.196 -1.287 -0.091 -1.17 NaHCO3 3.184e-06 3.279e-06 -5.497 -5.484 0.013 31.73 - NaOH 6.103e-19 6.194e-19 -18.214 -18.208 0.006 (0) -O(0) 1.822e-13 - O2 9.112e-14 9.247e-14 -13.040 -13.034 0.006 30.40 +O(0) 1.893e-13 + O2 9.466e-14 9.607e-14 -13.024 -13.017 0.006 30.40 ------------------------------Saturation indices------------------------------- @@ -1130,12 +1126,12 @@ O(0) 1.822e-13 Aragonite -3.71 -12.04 -8.34 CaCO3 Calcite -3.56 -12.04 -8.48 CaCO3 - CH4(g) -123.76 -126.56 -2.80 CH4 + CH4(g) -123.79 -126.60 -2.80 CH4 CO2(g) -3.39 -4.86 -1.47 CO2 - H2(g) -36.57 -39.67 -3.10 H2 + H2(g) -36.58 -39.68 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.15 -2.58 1.57 NaCl - O2(g) -10.14 -13.03 -2.89 O2 + O2(g) -10.13 -13.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1164,7 +1160,7 @@ Mixture 2. Specific Conductance (µS/cm, 25°C) = 2278 Density (g/cm³) = 0.99787 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.89231 + Viscosity (mPa s) = 0.89232 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.991e-02 Mass of water (kg) = 1.000e+00 @@ -1186,7 +1182,7 @@ Mixture 2. H+ 1.109e-07 9.864e-08 -6.955 -7.006 -0.051 0.00 H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.866 -126.864 0.002 35.46 + CH4 0.000e+00 0.000e+00 -126.865 -126.864 0.002 35.46 C(4) 2.048e-04 HCO3- 1.696e-04 1.485e-04 -3.771 -3.828 -0.058 24.69 CO2 3.286e-05 3.296e-05 -4.483 -4.482 0.001 34.43 @@ -1208,7 +1204,6 @@ H(0) 2.857e-40 Na 1.966e-02 Na+ 1.966e-02 1.717e-02 -1.706 -1.765 -0.059 -1.32 NaHCO3 2.200e-06 2.221e-06 -5.657 -5.654 0.004 31.73 - NaOH 1.752e-19 1.760e-19 -18.756 -18.754 0.002 (0) O(0) 4.024e-13 O2 2.012e-13 2.021e-13 -12.696 -12.694 0.002 30.40 @@ -1252,7 +1247,7 @@ Mixture 3. Specific Conductance (µS/cm, 25°C) = 546 Density (g/cm³) = 0.99724 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89092 + Viscosity (mPa s) = 0.89093 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.683e-03 Mass of water (kg) = 1.000e+00 @@ -1296,7 +1291,6 @@ H(0) 2.612e-40 Na 4.376e-03 Na+ 4.375e-03 4.068e-03 -2.359 -2.391 -0.032 -1.42 NaHCO3 6.111e-07 6.125e-07 -6.214 -6.213 0.001 31.73 - NaOH 3.889e-20 3.893e-20 -19.410 -19.410 0.000 (0) O(0) 4.871e-13 O2 2.436e-13 2.438e-13 -12.613 -12.613 0.000 30.40 @@ -1340,7 +1334,7 @@ Mixture 4. Specific Conductance (µS/cm, 25°C) = 113 Density (g/cm³) = 0.99709 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89049 + Viscosity (mPa s) = 0.89050 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.059e-03 Mass of water (kg) = 1.000e+00 @@ -1362,7 +1356,7 @@ Mixture 4. OH- 9.876e-08 9.519e-08 -7.005 -7.021 -0.016 -4.11 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.865 -126.864 0.000 35.46 + CH4 0.000e+00 0.000e+00 -126.865 -126.865 0.000 35.46 C(4) 2.323e-04 HCO3- 1.886e-04 1.819e-04 -3.725 -3.740 -0.016 24.58 CO2 4.347e-05 4.348e-05 -4.362 -4.362 0.000 34.43 @@ -1384,7 +1378,6 @@ H(0) 2.677e-40 Na 7.354e-04 Na+ 7.353e-04 7.090e-04 -3.134 -3.149 -0.016 -1.48 NaHCO3 1.123e-07 1.123e-07 -6.950 -6.950 0.000 31.73 - NaOH 6.747e-21 6.749e-21 -20.171 -20.171 0.000 (0) O(0) 4.650e-13 O2 2.325e-13 2.326e-13 -12.634 -12.633 0.000 30.40 @@ -1428,7 +1421,7 @@ Mixture 5. Specific Conductance (µS/cm, 25°C) = 33 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89036 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.091e-04 Mass of water (kg) = 1.000e+00 @@ -1472,7 +1465,6 @@ H(0) 2.587e-40 Na 9.174e-05 Na+ 9.172e-05 8.963e-05 -4.038 -4.048 -0.010 -1.49 NaHCO3 1.458e-08 1.458e-08 -7.836 -7.836 0.000 31.73 - NaOH 8.662e-22 8.663e-22 -21.062 -21.062 0.000 (0) O(0) 4.981e-13 O2 2.490e-13 2.491e-13 -12.604 -12.604 0.000 30.40 @@ -1516,7 +1508,7 @@ Mixture 6. Specific Conductance (µS/cm, 25°C) = 21 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.136e-04 Mass of water (kg) = 1.000e+00 @@ -1560,7 +1552,6 @@ H(0) 2.622e-40 Na 8.320e-06 Na+ 8.319e-06 8.152e-06 -5.080 -5.089 -0.009 -1.50 NaHCO3 1.369e-09 1.369e-09 -8.864 -8.864 0.000 31.73 - NaOH 8.123e-23 8.123e-23 -22.090 -22.090 0.000 (0) O(0) 4.851e-13 O2 2.426e-13 2.426e-13 -12.615 -12.615 0.000 30.40 @@ -1604,7 +1595,7 @@ Mixture 7. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.014e-04 Mass of water (kg) = 1.000e+00 @@ -1648,7 +1639,6 @@ H(0) 2.625e-40 Na 5.837e-07 Na+ 5.836e-07 5.722e-07 -6.234 -6.242 -0.009 -1.50 NaHCO3 9.730e-11 9.731e-11 -10.012 -10.012 0.000 31.73 - NaOH 5.775e-24 5.775e-24 -23.238 -23.238 0.000 (0) O(0) 4.839e-13 O2 2.419e-13 2.419e-13 -12.616 -12.616 0.000 30.40 @@ -1692,7 +1682,7 @@ Mixture 8. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.001e-04 Mass of water (kg) = 1.000e+00 @@ -1736,7 +1726,6 @@ H(0) 2.665e-40 Na 3.339e-08 Na+ 3.338e-08 3.273e-08 -7.476 -7.485 -0.009 -1.50 NaHCO3 5.578e-12 5.579e-12 -11.253 -11.253 0.000 31.73 - NaOH 3.311e-25 3.311e-25 -24.480 -24.480 0.000 (0) O(0) 4.693e-13 O2 2.347e-13 2.347e-13 -12.630 -12.630 0.000 30.40 @@ -1780,7 +1769,7 @@ Mixture 9. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -1824,7 +1813,6 @@ H(0) 2.625e-40 Na 1.584e-09 Na+ 1.584e-09 1.553e-09 -8.800 -8.809 -0.009 -1.50 NaHCO3 2.648e-13 2.648e-13 -12.577 -12.577 0.000 31.73 - NaOH 1.572e-26 1.572e-26 -25.804 -25.804 0.000 (0) O(0) 4.840e-13 O2 2.420e-13 2.420e-13 -12.616 -12.616 0.000 30.40 @@ -1868,7 +1856,7 @@ Mixture 10. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 1.000e+00 @@ -1912,7 +1900,6 @@ H(0) 2.542e-40 Na 6.484e-11 Na+ 6.483e-11 6.355e-11 -10.188 -10.197 -0.009 -1.50 NaHCO3 1.084e-14 1.084e-14 -13.965 -13.965 0.000 31.73 - NaOH 6.432e-28 6.432e-28 -27.192 -27.192 0.000 (0) O(0) 5.160e-13 O2 2.580e-13 2.580e-13 -12.588 -12.588 0.000 30.40 @@ -2001,7 +1988,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -2033,7 +2019,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99706 Volume (L) = 0.50149 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -2104,7 +2090,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -2138,7 +2124,7 @@ Using surface 1. Diffuse Double Layer Surface-Complexation Model Su - -5.716e-09 Surface + diffuse layer charge, eq + -4.619e-09 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -2.644e-01 psi, V @@ -2182,7 +2168,7 @@ Su ----------------------------Description of solution---------------------------- pH = 5.684 Charge balance - pe = 11.995 Adjusted to redox equilibrium + pe = 11.992 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7100 Density (g/cm³) = 0.99998 Volume (L) = 1.50516 @@ -2195,7 +2181,7 @@ Su Temperature (°C) = 25.00 Electrical balance (eq) = -5.221e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (42 overall) + Iterations = 0 (56 overall) Total H = 1.625648e+02 Total O = 8.128245e+01 @@ -2208,7 +2194,7 @@ Su OH- 6.294e-09 4.883e-09 -8.201 -8.311 -0.110 -3.78 H2O 5.683e+01 9.979e-01 1.755 -0.001 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -121.906 -121.898 0.008 35.46 + CH4 0.000e+00 0.000e+00 -121.879 -121.871 0.008 35.46 C(4) 1.773e-05 CO2 1.381e-05 1.398e-05 -4.860 -4.854 0.005 34.43 HCO3- 3.753e-06 3.001e-06 -5.426 -5.523 -0.097 24.88 @@ -2225,14 +2211,13 @@ Ca 1.445e-02 Cl 6.824e-02 Cl- 6.824e-02 5.324e-02 -1.166 -1.274 -0.108 18.31 HCl 3.498e-08 3.793e-08 -7.456 -7.421 0.035 (0) -H(0) 6.080e-39 - H2 3.040e-39 3.098e-39 -38.517 -38.509 0.008 28.61 +H(0) 6.174e-39 + H2 3.087e-39 3.146e-39 -38.510 -38.502 0.008 28.61 Na 3.934e-02 Na+ 3.934e-02 3.132e-02 -1.405 -1.504 -0.099 -1.13 NaHCO3 7.879e-08 8.185e-08 -7.104 -7.087 0.017 31.73 - NaOH 1.500e-20 1.529e-20 -19.824 -19.816 0.008 (0) -O(0) 8.486e-16 - O2 4.243e-16 4.324e-16 -15.372 -15.364 0.008 30.40 +O(0) 8.229e-16 + O2 4.115e-16 4.194e-16 -15.386 -15.377 0.008 30.40 ------------------------------Saturation indices------------------------------- @@ -2240,12 +2225,12 @@ O(0) 8.486e-16 Aragonite -4.06 -12.39 -8.34 CaCO3 Calcite -3.91 -12.39 -8.48 CaCO3 - CH4(g) -119.10 -121.90 -2.80 CH4 + CH4(g) -119.07 -121.87 -2.80 CH4 CO2(g) -3.39 -4.85 -1.47 CO2 - H2(g) -35.41 -38.51 -3.10 H2 + H2(g) -35.40 -38.50 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.35 -2.78 1.57 NaCl - O2(g) -12.47 -15.36 -2.89 O2 + O2(g) -12.49 -15.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2319,7 +2304,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -2353,7 +2337,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -2387,7 +2371,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -2460,7 +2444,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -2494,7 +2478,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -2567,7 +2551,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -2601,7 +2585,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -2674,7 +2658,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -2708,7 +2692,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -2781,7 +2765,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -2815,7 +2799,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -2888,7 +2872,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -2922,7 +2906,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -2995,7 +2979,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -3029,7 +3013,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -3102,7 +3086,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -3136,7 +3120,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -3209,7 +3193,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -3243,7 +3227,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -3316,7 +3300,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -3350,7 +3334,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-04 Mass of water (kg) = 5.000e-01 @@ -3454,7 +3438,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -3484,7 +3467,7 @@ Mixture 1. Diffuse Double Layer Surface-Complexation Model Su - 4.233e-09 Surface + diffuse layer charge, eq + 4.232e-09 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -2.707e-01 psi, V @@ -3504,9 +3487,9 @@ Su Element Moles C 7.1788e-07 Ca 2.7474e-01 - Cl 1.4214e-05 + Cl 1.4215e-05 H 1.4346e-06 - Na 4.5053e-01 + Na 4.5052e-01 O 1.6428e-06 Su @@ -3523,7 +3506,7 @@ Su C 6.337e-05 6.083e-05 Ca 2.182e-04 2.095e-04 Cl 6.428e-02 6.171e-02 - Na 6.390e-02 6.133e-02 + Na 6.389e-02 6.133e-02 ----------------------------Description of solution---------------------------- @@ -3539,7 +3522,7 @@ Su Total alkalinity (eq/kg) = 5.034e-05 Total CO2 (mol/kg) = 6.337e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.341e-09 + Electrical balance (eq) = -4.348e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (9 overall) Total H = 1.065641e+02 @@ -3573,12 +3556,11 @@ Cl 6.428e-02 HCl 2.434e-09 2.593e-09 -8.614 -8.586 0.027 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.012 -42.005 0.006 28.61 -Na 6.390e-02 +Na 6.389e-02 Na+ 6.389e-02 5.177e-02 -1.195 -1.286 -0.091 -1.17 NaHCO3 1.732e-06 1.785e-06 -5.761 -5.748 0.013 31.73 - NaOH 3.508e-19 3.560e-19 -18.455 -18.448 0.006 (0) -O(0) 8.388e-09 - O2 4.194e-09 4.257e-09 -8.377 -8.371 0.006 30.40 +O(0) 8.387e-09 + O2 4.194e-09 4.256e-09 -8.377 -8.371 0.006 30.40 ------------------------------Saturation indices------------------------------- @@ -3615,7 +3597,7 @@ Su -2.894e+00 sigma, C/m² -2.978e-01 psi, V 1.159e+01 -F*psi/RT - 1.081e+05 exp(-F*psi/RT) + 1.082e+05 exp(-F*psi/RT) 3.334e+04 specific area, m²/g 3.334e+04 m² for 1.000e+00 g @@ -3632,8 +3614,8 @@ Su Ca 4.2272e-01 Cl 1.3098e-05 H 2.4894e-06 - Na 1.5457e-01 - O 7.0806e-06 + Na 1.5456e-01 + O 7.0807e-06 Su 1.000e+00 moles @@ -3665,11 +3647,11 @@ Su Total alkalinity (eq/kg) = 9.000e-05 Total CO2 (mol/kg) = 1.236e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.591e-08 + Electrical balance (eq) = -1.592e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (11 overall) Total H = 1.035769e+02 - Total O = 5.178875e+01 + Total O = 5.178873e+01 ----------------------------Distribution of species---------------------------- @@ -3685,15 +3667,15 @@ C(4) 1.236e-04 HCO3- 8.876e-05 7.723e-05 -4.052 -4.112 -0.060 24.70 CO2 3.345e-05 3.357e-05 -4.476 -4.474 0.001 34.43 NaHCO3 1.210e-06 1.223e-06 -5.917 -5.913 0.005 31.73 - CaHCO3+ 1.010e-07 8.812e-08 -6.996 -7.055 -0.059 122.72 + CaHCO3+ 1.010e-07 8.813e-08 -6.996 -7.055 -0.059 122.72 CO3-2 3.271e-08 1.875e-08 -7.485 -7.727 -0.242 -3.47 CaCO3 9.269e-09 9.317e-09 -8.033 -8.031 0.002 -14.60 (CO2)2 2.058e-11 2.068e-11 -10.687 -10.684 0.002 68.87 Ca 5.164e-04 Ca+2 5.163e-04 2.958e-04 -3.287 -3.529 -0.242 -17.79 - CaHCO3+ 1.010e-07 8.812e-08 -6.996 -7.055 -0.059 122.72 + CaHCO3+ 1.010e-07 8.813e-08 -6.996 -7.055 -0.059 122.72 CaCO3 9.269e-09 9.317e-09 -8.033 -8.031 0.002 -14.60 - CaOH+ 2.937e-10 2.539e-10 -9.532 -9.595 -0.063 (0) + CaOH+ 2.937e-10 2.540e-10 -9.532 -9.595 -0.063 (0) Cl 2.191e-02 Cl- 2.191e-02 1.888e-02 -1.659 -1.724 -0.065 18.19 HCl 1.229e-09 1.257e-09 -8.910 -8.901 0.010 (0) @@ -3702,8 +3684,7 @@ H(0) 0.000e+00 Na 2.096e-02 Na+ 2.096e-02 1.818e-02 -1.679 -1.740 -0.062 -1.31 NaHCO3 1.210e-06 1.223e-06 -5.917 -5.913 0.005 31.73 - NaOH 9.469e-20 9.518e-20 -19.024 -19.021 0.002 (0) -O(0) 9.639e-09 +O(0) 9.640e-09 O2 4.820e-09 4.845e-09 -8.317 -8.315 0.002 30.40 ------------------------------Saturation indices------------------------------- @@ -3746,7 +3727,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 1.206e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89112 mPa s for DDL water. + viscosity: 0.89113 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 5.622e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -3754,11 +3735,11 @@ Su Boltzmann factor, exp(-psi_DL * F / RT) = 7.615e+01 (= c_DL / c_free if z is +1). Element Moles - C 7.2242e-06 + C 7.2243e-06 Ca 4.7901e-01 - Cl 9.2489e-06 + Cl 9.2490e-06 H 4.0251e-06 - Na 4.1993e-02 + Na 4.1992e-02 O 1.6426e-05 Su @@ -3775,7 +3756,7 @@ Su C 1.461e-04 1.284e-04 Ca 6.851e-04 6.021e-04 Cl 5.840e-03 5.133e-03 - Na 4.573e-03 4.019e-03 + Na 4.573e-03 4.018e-03 ----------------------------Description of solution---------------------------- @@ -3784,18 +3765,18 @@ Su Specific Conductance (µS/cm, 25°C) = 556 Density (g/cm³) = 0.99730 Volume (L) = 1.00243 - Viscosity (mPa s) = 0.89112 + Viscosity (mPa s) = 0.89113 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.627e-03 Mass of water (kg) = 8.788e-01 Total alkalinity (eq/kg) = 1.024e-04 Total CO2 (mol/kg) = 1.461e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.862e-08 + Electrical balance (eq) = 3.863e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (12 overall) - Total H = 9.755971e+01 - Total O = 4.878016e+01 + Total H = 9.755967e+01 + Total O = 4.878014e+01 ----------------------------Distribution of species---------------------------- @@ -3811,13 +3792,13 @@ C(4) 1.461e-04 HCO3- 1.019e-04 9.376e-05 -3.992 -4.028 -0.036 24.63 CO2 4.355e-05 4.359e-05 -4.361 -4.361 0.000 34.43 NaHCO3 3.419e-07 3.430e-07 -6.466 -6.465 0.001 31.73 - CaHCO3+ 1.924e-07 1.772e-07 -6.716 -6.752 -0.036 122.68 + CaHCO3+ 1.924e-07 1.772e-07 -6.716 -6.751 -0.036 122.68 CO3-2 2.970e-08 2.127e-08 -7.527 -7.672 -0.145 -3.74 CaCO3 1.748e-08 1.751e-08 -7.757 -7.757 0.001 -14.60 (CO2)2 3.483e-11 3.488e-11 -10.458 -10.457 0.001 68.87 Ca 6.851e-04 Ca+2 6.849e-04 4.900e-04 -3.164 -3.310 -0.145 -17.98 - CaHCO3+ 1.924e-07 1.772e-07 -6.716 -6.752 -0.036 122.68 + CaHCO3+ 1.924e-07 1.772e-07 -6.716 -6.751 -0.036 122.68 CaCO3 1.748e-08 1.751e-08 -7.757 -7.757 0.001 -14.60 CaOH+ 4.286e-10 3.932e-10 -9.368 -9.405 -0.037 (0) Cl 5.840e-03 @@ -3828,9 +3809,8 @@ H(0) 0.000e+00 Na 4.573e-03 Na+ 4.572e-03 4.200e-03 -2.340 -2.377 -0.037 -1.41 NaHCO3 3.419e-07 3.430e-07 -6.466 -6.465 0.001 31.73 - NaOH 2.053e-20 2.056e-20 -19.688 -19.687 0.001 (0) O(0) 1.394e-08 - O2 6.968e-09 6.978e-09 -8.157 -8.156 0.001 30.40 + O2 6.969e-09 6.980e-09 -8.157 -8.156 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -3862,7 +3842,7 @@ Mixture 4. Diffuse Double Layer Surface-Complexation Model Su - 1.150e-10 Surface + diffuse layer charge, eq + 1.145e-10 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -3.582e-01 psi, V @@ -3877,15 +3857,15 @@ Su Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -1.084e-01 V. - Boltzmann factor, exp(-psi_DL * F / RT) = 6.798e+01 (= c_DL / c_free if z is +1). + Boltzmann factor, exp(-psi_DL * F / RT) = 6.797e+01 (= c_DL / c_free if z is +1). Element Moles C 1.2749e-05 Ca 4.9588e-01 Cl 4.5685e-06 H 5.8059e-06 - Na 8.2450e-03 - O 2.8724e-05 + Na 8.2446e-03 + O 2.8725e-05 Su 1.000e+00 moles @@ -3917,11 +3897,11 @@ Su Total alkalinity (eq/kg) = 1.231e-04 Total CO2 (mol/kg) = 1.693e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.679e-08 + Electrical balance (eq) = 2.681e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 8.797434e+01 - Total O = 4.398749e+01 + Total H = 8.797433e+01 + Total O = 4.398748e+01 ----------------------------Distribution of species---------------------------- @@ -3939,13 +3919,13 @@ C(4) 1.693e-04 CaHCO3+ 2.009e-07 1.911e-07 -6.697 -6.719 -0.022 122.65 NaHCO3 5.664e-08 5.670e-08 -7.247 -7.246 0.000 31.73 CO3-2 3.820e-08 3.125e-08 -7.418 -7.505 -0.087 -3.88 - CaCO3 2.225e-08 2.226e-08 -7.653 -7.653 0.000 -14.60 + CaCO3 2.225e-08 2.226e-08 -7.653 -7.652 0.000 -14.60 (CO2)2 3.895e-11 3.897e-11 -10.409 -10.409 0.000 68.87 Ca 5.188e-04 Ca+2 5.186e-04 4.241e-04 -3.285 -3.373 -0.087 -18.09 CaHCO3+ 2.009e-07 1.911e-07 -6.697 -6.719 -0.022 122.65 - CaCO3 2.225e-08 2.226e-08 -7.653 -7.653 0.000 -14.60 - CaOH+ 4.223e-10 4.012e-10 -9.374 -9.397 -0.022 (0) + CaCO3 2.225e-08 2.226e-08 -7.653 -7.652 0.000 -14.60 + CaOH+ 4.223e-10 4.013e-10 -9.374 -9.397 -0.022 (0) Cl 1.501e-03 Cl- 1.501e-03 1.425e-03 -2.824 -2.846 -0.022 18.09 HCl 8.594e-11 8.612e-11 -10.066 -10.065 0.001 (0) @@ -3954,9 +3934,8 @@ H(0) 0.000e+00 Na 5.862e-04 Na+ 5.861e-04 5.571e-04 -3.232 -3.254 -0.022 -1.46 NaHCO3 5.664e-08 5.670e-08 -7.247 -7.246 0.000 31.73 - NaOH 3.213e-21 3.215e-21 -20.493 -20.493 0.000 (0) -O(0) 1.740e-08 - O2 8.699e-09 8.703e-09 -8.061 -8.060 0.000 30.40 +O(0) 1.741e-08 + O2 8.703e-09 8.708e-09 -8.060 -8.060 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -3998,7 +3977,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 3.387e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89052 mPa s for DDL water. + viscosity: 0.89053 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.875e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -4010,8 +3989,8 @@ Su Ca 4.9941e-01 Cl 1.4827e-06 H 7.6993e-06 - Na 1.1785e-03 - O 4.2501e-05 + Na 1.1784e-03 + O 4.2502e-05 Su 1.000e+00 moles @@ -4032,18 +4011,18 @@ Su ----------------------------Description of solution---------------------------- pH = 6.873 Charge balance - pe = 12.553 Adjusted to redox equilibrium + pe = 12.554 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 26 Density (g/cm³) = 0.99707 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89052 + Viscosity (mPa s) = 0.89053 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.356e-04 Mass of water (kg) = 6.607e-01 Total alkalinity (eq/kg) = 1.549e-04 Total CO2 (mol/kg) = 2.001e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.181e-08 + Electrical balance (eq) = 4.182e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.01 Iterations = 0 (15 overall) Total H = 7.334762e+01 @@ -4058,7 +4037,7 @@ Su OH- 7.794e-08 7.557e-08 -7.108 -7.122 -0.013 -4.11 H2O 8.396e+01 1.000e+00 1.924 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -135.367 -135.367 0.000 35.46 + CH4 0.000e+00 0.000e+00 -135.368 -135.368 0.000 35.46 C(4) 2.001e-04 HCO3- 1.547e-04 1.500e-04 -3.811 -3.824 -0.013 24.57 CO2 4.518e-05 4.519e-05 -4.345 -4.345 0.000 34.43 @@ -4080,9 +4059,8 @@ H(0) 0.000e+00 Na 4.352e-05 Na+ 4.351e-05 4.220e-05 -4.361 -4.375 -0.013 -1.48 NaHCO3 5.513e-09 5.515e-09 -8.259 -8.258 0.000 31.73 - NaOH 3.189e-22 3.189e-22 -21.496 -21.496 0.000 (0) -O(0) 8.452e-09 - O2 4.226e-09 4.227e-09 -8.374 -8.374 0.000 30.40 +O(0) 8.467e-09 + O2 4.233e-09 4.234e-09 -8.373 -8.373 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -4090,7 +4068,7 @@ O(0) 8.452e-09 Aragonite -2.63 -10.97 -8.34 CaCO3 Calcite -2.49 -10.97 -8.48 CaCO3 - CH4(g) -132.56 -135.37 -2.80 CH4 + CH4(g) -132.57 -135.37 -2.80 CH4 CO2(g) -2.88 -4.35 -1.47 CO2 H2(g) -38.90 -42.00 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -4114,7 +4092,7 @@ Mixture 6. Diffuse Double Layer Surface-Complexation Model Su - -3.393e-09 Surface + diffuse layer charge, eq + -3.387e-09 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -4.033e-01 psi, V @@ -4124,7 +4102,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.571e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89039 mPa s for DDL water. + viscosity: 0.89044 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.417e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -4136,7 +4114,7 @@ Su Ca 4.9994e-01 Cl 2.9628e-07 H 9.1538e-06 - Na 1.2630e-04 + Na 1.2628e-04 O 5.3619e-05 Su @@ -4158,21 +4136,21 @@ Su ----------------------------Description of solution---------------------------- pH = 6.967 Charge balance - pe = 12.411 Adjusted to redox equilibrium + pe = 12.412 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89039 + Viscosity (mPa s) = 0.89044 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.705e-04 Mass of water (kg) = 5.423e-01 Total alkalinity (eq/kg) = 1.867e-04 Total CO2 (mol/kg) = 2.309e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.897e-08 + Electrical balance (eq) = 1.904e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.01 Iterations = 0 (19 overall) - Total H = 6.020426e+01 + Total H = 6.020427e+01 Total O = 3.010243e+01 ----------------------------Distribution of species---------------------------- @@ -4184,14 +4162,14 @@ Su OH- 9.598e-08 9.388e-08 -7.018 -7.027 -0.010 -4.12 H2O 1.023e+02 1.000e+00 2.010 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -134.990 -134.990 0.000 35.46 + CH4 0.000e+00 0.000e+00 -134.995 -134.995 0.000 35.46 C(4) 2.309e-04 HCO3- 1.865e-04 1.824e-04 -3.729 -3.739 -0.009 24.57 CO2 4.422e-05 4.422e-05 -4.354 -4.354 0.000 34.43 CO3-2 8.661e-08 7.936e-08 -7.062 -7.100 -0.038 -3.98 CaHCO3+ 8.069e-08 7.895e-08 -7.093 -7.103 -0.009 122.63 CaCO3 1.496e-08 1.496e-08 -7.825 -7.825 0.000 -14.60 - NaHCO3 4.544e-10 4.544e-10 -9.343 -9.343 0.000 31.73 + NaHCO3 4.543e-10 4.544e-10 -9.343 -9.343 0.000 31.73 (CO2)2 3.589e-11 3.589e-11 -10.445 -10.445 0.000 68.87 Ca 1.226e-04 Ca+2 1.225e-04 1.122e-04 -3.912 -3.950 -0.038 -18.18 @@ -4202,13 +4180,12 @@ Cl 6.126e-05 Cl- 6.126e-05 5.992e-05 -4.213 -4.222 -0.010 18.06 HCl 2.225e-12 2.225e-12 -11.653 -11.653 0.000 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.907 -41.907 0.000 28.61 + H2 0.000e+00 0.000e+00 -41.908 -41.908 0.000 28.61 Na 2.924e-06 - Na+ 2.924e-06 2.860e-06 -5.534 -5.544 -0.010 -1.50 - NaHCO3 4.544e-10 4.544e-10 -9.343 -9.343 0.000 31.73 - NaOH 2.685e-23 2.685e-23 -22.571 -22.571 0.000 (0) -O(0) 5.422e-09 - O2 2.711e-09 2.711e-09 -8.567 -8.567 0.000 30.40 + Na+ 2.923e-06 2.860e-06 -5.534 -5.544 -0.010 -1.50 + NaHCO3 4.543e-10 4.544e-10 -9.343 -9.343 0.000 31.73 +O(0) 5.450e-09 + O2 2.725e-09 2.725e-09 -8.565 -8.565 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -4221,7 +4198,7 @@ O(0) 5.422e-09 H2(g) -38.81 -41.91 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -11.34 -9.77 1.57 NaCl - O2(g) -5.67 -8.57 -2.89 O2 + O2(g) -5.67 -8.56 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4240,7 +4217,7 @@ Mixture 7. Diffuse Double Layer Surface-Complexation Model Su - -5.322e-10 Surface + diffuse layer charge, eq + -5.201e-10 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -4.080e-01 psi, V @@ -4250,7 +4227,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.938e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89035 mPa s for DDL water. + viscosity: 0.89041 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.265e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -4261,8 +4238,8 @@ Su C 2.6284e-05 Ca 4.9999e-01 Cl 3.6543e-08 - H 9.5899e-06 - Na 1.0416e-05 + H 9.5898e-06 + Na 1.0414e-05 O 5.7116e-05 Su @@ -4279,7 +4256,7 @@ Su C 2.421e-04 1.224e-04 Ca 1.027e-04 5.193e-05 Cl 7.351e-06 3.717e-06 - Na 2.124e-07 1.074e-07 + Na 2.123e-07 1.074e-07 ----------------------------Description of solution---------------------------- @@ -4288,17 +4265,17 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89035 + Viscosity (mPa s) = 0.89041 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.083e-04 Mass of water (kg) = 5.056e-01 Total alkalinity (eq/kg) = 1.982e-04 Total CO2 (mol/kg) = 2.421e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.173e-08 + Electrical balance (eq) = 4.166e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.02 Iterations = 0 (23 overall) - Total H = 5.612842e+01 + Total H = 5.612841e+01 Total O = 2.806450e+01 ----------------------------Distribution of species---------------------------- @@ -4310,7 +4287,7 @@ Su OH- 1.023e-07 1.002e-07 -6.990 -6.999 -0.009 -4.12 H2O 1.097e+02 1.000e+00 2.040 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -135.247 -135.247 0.000 35.46 + CH4 0.000e+00 0.000e+00 -135.246 -135.246 0.000 35.46 C(4) 2.421e-04 HCO3- 1.979e-04 1.940e-04 -3.704 -3.712 -0.009 24.56 CO2 4.404e-05 4.404e-05 -4.356 -4.356 0.000 34.43 @@ -4318,7 +4295,7 @@ C(4) 2.421e-04 CaHCO3+ 7.229e-08 7.087e-08 -7.141 -7.150 -0.009 122.62 CaCO3 1.433e-08 1.433e-08 -7.844 -7.844 0.000 -14.60 (CO2)2 3.560e-11 3.560e-11 -10.449 -10.449 0.000 68.87 - NaHCO3 3.516e-11 3.516e-11 -10.454 -10.454 0.000 31.73 + NaHCO3 3.515e-11 3.515e-11 -10.454 -10.454 0.000 31.73 Ca 1.027e-04 Ca+2 1.026e-04 9.472e-05 -3.989 -4.024 -0.035 -18.19 CaHCO3+ 7.229e-08 7.087e-08 -7.141 -7.150 -0.009 122.62 @@ -4329,12 +4306,11 @@ Cl 7.351e-06 HCl 2.505e-13 2.506e-13 -12.601 -12.601 0.000 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.970 -41.970 0.000 28.61 -Na 2.124e-07 +Na 2.123e-07 Na+ 2.123e-07 2.081e-07 -6.673 -6.682 -0.009 -1.50 - NaHCO3 3.516e-11 3.516e-11 -10.454 -10.454 0.000 31.73 - NaOH 2.086e-24 2.086e-24 -23.681 -23.681 0.000 (0) -O(0) 7.267e-09 - O2 3.633e-09 3.634e-09 -8.440 -8.440 0.000 30.40 + NaHCO3 3.515e-11 3.515e-11 -10.454 -10.454 0.000 31.73 +O(0) 7.265e-09 + O2 3.633e-09 3.633e-09 -8.440 -8.440 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -4366,7 +4342,7 @@ Mixture 8. Diffuse Double Layer Surface-Complexation Model Su - 1.361e-09 Surface + diffuse layer charge, eq + 1.336e-09 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -4.087e-01 psi, V @@ -4376,7 +4352,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.989e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.243e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -4388,7 +4364,7 @@ Su Ca 5.0000e-01 Cl 3.3830e-09 H 9.6512e-06 - Na 6.9285e-07 + Na 6.9265e-07 O 5.7613e-05 Su @@ -4405,7 +4381,7 @@ Su C 2.437e-04 1.220e-04 Ca 1.003e-04 5.019e-05 Cl 6.783e-07 3.395e-07 - Na 1.389e-08 6.952e-09 + Na 1.388e-08 6.950e-09 ----------------------------Description of solution---------------------------- @@ -4414,17 +4390,17 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.008e-04 Mass of water (kg) = 5.005e-01 Total alkalinity (eq/kg) = 1.998e-04 Total CO2 (mol/kg) = 2.437e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.308e-08 + Electrical balance (eq) = 4.300e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.02 Iterations = 0 (22 overall) - Total H = 5.556728e+01 + Total H = 5.556727e+01 Total O = 2.778393e+01 ----------------------------Distribution of species---------------------------- @@ -4436,7 +4412,7 @@ Su H+ 1.021e-07 1.001e-07 -6.991 -6.999 -0.008 0.00 H2O 1.108e+02 1.000e+00 2.045 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -135.289 -135.289 0.000 35.46 + CH4 0.000e+00 0.000e+00 -135.288 -135.288 0.000 35.46 C(4) 2.437e-04 HCO3- 1.995e-04 1.956e-04 -3.700 -3.709 -0.009 24.56 CO2 4.403e-05 4.403e-05 -4.356 -4.356 0.000 34.43 @@ -4444,7 +4420,7 @@ C(4) 2.437e-04 CaHCO3+ 7.123e-08 6.984e-08 -7.147 -7.156 -0.009 122.62 CaCO3 1.425e-08 1.425e-08 -7.846 -7.846 0.000 -14.60 (CO2)2 3.559e-11 3.559e-11 -10.449 -10.449 0.000 68.87 - NaHCO3 2.319e-12 2.319e-12 -11.635 -11.635 0.000 31.73 + NaHCO3 2.318e-12 2.318e-12 -11.635 -11.635 0.000 31.73 Ca 1.003e-04 Ca+2 1.002e-04 9.257e-05 -3.999 -4.034 -0.034 -18.19 CaHCO3+ 7.123e-08 6.984e-08 -7.147 -7.156 -0.009 122.62 @@ -4455,12 +4431,11 @@ Cl 6.783e-07 HCl 2.293e-14 2.293e-14 -13.640 -13.640 0.000 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.981 -41.981 0.000 28.61 -Na 1.389e-08 - Na+ 1.389e-08 1.361e-08 -7.857 -7.866 -0.009 -1.50 - NaHCO3 2.319e-12 2.319e-12 -11.635 -11.635 0.000 31.73 - NaOH 1.376e-25 1.376e-25 -24.861 -24.861 0.000 (0) -O(0) 7.632e-09 - O2 3.816e-09 3.816e-09 -8.418 -8.418 0.000 30.40 +Na 1.388e-08 + Na+ 1.388e-08 1.361e-08 -7.858 -7.866 -0.009 -1.50 + NaHCO3 2.318e-12 2.318e-12 -11.635 -11.635 0.000 31.73 +O(0) 7.622e-09 + O2 3.811e-09 3.811e-09 -8.419 -8.419 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -4492,7 +4467,7 @@ Mixture 9. Diffuse Double Layer Surface-Complexation Model Su - 8.689e-10 Surface + diffuse layer charge, eq + 8.675e-10 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -4.087e-01 psi, V @@ -4502,7 +4477,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -4514,7 +4489,7 @@ Su Ca 5.0000e-01 Cl 2.5632e-10 H 9.6573e-06 - Na 3.8134e-08 + Na 3.8120e-08 O 5.7662e-05 Su @@ -4531,7 +4506,7 @@ Su C 2.439e-04 1.220e-04 Ca 1.000e-04 5.003e-05 Cl 5.137e-08 2.569e-08 - Na 7.631e-10 3.816e-10 + Na 7.629e-10 3.815e-10 ----------------------------Description of solution---------------------------- @@ -4540,7 +4515,7 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.001e-04 Mass of water (kg) = 5.001e-01 @@ -4562,7 +4537,7 @@ Su H+ 1.020e-07 1.001e-07 -6.991 -7.000 -0.008 0.00 H2O 1.109e+02 1.000e+00 2.045 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -135.256 -135.256 0.000 35.46 + CH4 0.000e+00 0.000e+00 -135.257 -135.257 0.000 35.46 C(4) 2.439e-04 HCO3- 1.997e-04 1.958e-04 -3.700 -3.708 -0.009 24.56 CO2 4.403e-05 4.403e-05 -4.356 -4.356 0.000 34.43 @@ -4570,7 +4545,7 @@ C(4) 2.439e-04 CaHCO3+ 7.113e-08 6.974e-08 -7.148 -7.157 -0.009 122.62 CaCO3 1.424e-08 1.424e-08 -7.847 -7.847 0.000 -14.60 (CO2)2 3.559e-11 3.559e-11 -10.449 -10.449 0.000 68.87 - NaHCO3 1.275e-13 1.275e-13 -12.894 -12.894 0.000 31.73 + NaHCO3 1.275e-13 1.275e-13 -12.895 -12.895 0.000 31.73 Ca 1.000e-04 Ca+2 9.996e-05 9.236e-05 -4.000 -4.034 -0.034 -18.19 CaHCO3+ 7.113e-08 6.974e-08 -7.148 -7.157 -0.009 122.62 @@ -4581,12 +4556,11 @@ Cl 5.137e-08 HCl 1.735e-15 1.736e-15 -14.761 -14.761 0.000 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.973 -41.973 0.000 28.61 -Na 7.631e-10 - Na+ 7.630e-10 7.480e-10 -9.117 -9.126 -0.009 -1.50 - NaHCO3 1.275e-13 1.275e-13 -12.894 -12.894 0.000 31.73 - NaOH 7.567e-27 7.567e-27 -26.121 -26.121 0.000 (0) -O(0) 7.349e-09 - O2 3.675e-09 3.675e-09 -8.435 -8.435 0.000 30.40 +Na 7.629e-10 + Na+ 7.627e-10 7.478e-10 -9.118 -9.126 -0.009 -1.50 + NaHCO3 1.275e-13 1.275e-13 -12.895 -12.895 0.000 31.73 +O(0) 7.352e-09 + O2 3.676e-09 3.676e-09 -8.435 -8.435 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -4618,7 +4592,7 @@ Mixture 10. Diffuse Double Layer Surface-Complexation Model Su - 8.180e-10 Surface + diffuse layer charge, eq + 8.280e-10 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -2.894e+00 sigma, C/m² -4.087e-01 psi, V @@ -4628,7 +4602,7 @@ Su 3.334e+04 m² for 1.000e+00 g Water in diffuse layer: 4.994e-01 kg, 100.0% of total DDL-water. - viscosity: 0.89034 mPa s for DDL water. + viscosity: 0.89040 mPa s for DDL water. Radius of total pore: 5.996e-08 m; of free pore: 4.241e-08 m. Total moles in diffuse layer (excluding water), Donnan calculation. @@ -4640,7 +4614,7 @@ Su Ca 5.0000e-01 Cl 1.6993e-11 H 9.6578e-06 - Na 1.8177e-09 + Na 1.8168e-09 O 5.7666e-05 Su @@ -4657,7 +4631,7 @@ Su C 2.439e-04 1.219e-04 Ca 1.000e-04 5.002e-05 Cl 3.406e-09 1.703e-09 - Na 3.637e-11 1.819e-11 + Na 3.635e-11 1.818e-11 ----------------------------Description of solution---------------------------- @@ -4666,18 +4640,18 @@ Su Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99706 Volume (L) = 1.00238 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.89040 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.001e-04 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.000e-04 Total CO2 (mol/kg) = 2.439e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.076e-08 + Electrical balance (eq) = 4.079e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.02 Iterations = 0 (22 overall) Total H = 5.550900e+01 - Total O = 2.775479e+01 + Total O = 2.775480e+01 ----------------------------Distribution of species---------------------------- @@ -4696,7 +4670,7 @@ C(4) 2.439e-04 CaHCO3+ 7.112e-08 6.973e-08 -7.148 -7.157 -0.009 122.62 CaCO3 1.424e-08 1.424e-08 -7.847 -7.847 0.000 -14.60 (CO2)2 3.559e-11 3.559e-11 -10.449 -10.449 0.000 68.87 - NaHCO3 6.078e-15 6.079e-15 -14.216 -14.216 0.000 31.73 + NaHCO3 6.075e-15 6.076e-15 -14.216 -14.216 0.000 31.73 Ca 1.000e-04 Ca+2 9.994e-05 9.235e-05 -4.000 -4.035 -0.034 -18.19 CaHCO3+ 7.112e-08 6.973e-08 -7.148 -7.157 -0.009 122.62 @@ -4707,12 +4681,11 @@ Cl 3.406e-09 HCl 1.150e-16 1.151e-16 -15.939 -15.939 0.000 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.971 -41.971 0.000 28.61 -Na 3.637e-11 - Na+ 3.637e-11 3.565e-11 -10.439 -10.448 -0.009 -1.50 - NaHCO3 6.078e-15 6.079e-15 -14.216 -14.216 0.000 31.73 - NaOH 3.607e-28 3.607e-28 -27.443 -27.443 0.000 (0) -O(0) 7.294e-09 - O2 3.647e-09 3.647e-09 -8.438 -8.438 0.000 30.40 +Na 3.635e-11 + Na+ 3.635e-11 3.563e-11 -10.440 -10.448 -0.009 -1.50 + NaHCO3 6.075e-15 6.076e-15 -14.216 -14.216 0.000 31.73 +O(0) 7.298e-09 + O2 3.649e-09 3.649e-09 -8.438 -8.438 0.000 30.40 ------------------------------Saturation indices------------------------------- diff --git a/mytest/debye1.sel b/mytest/debye1.sel index b1432e913..47f6fd366 100644 --- a/mytest/debye1.sel +++ b/mytest/debye1.sel @@ -35,11 +35,11 @@ 0.0000e+00 1.0000e+00 0.0000e+00 1.0000e+00 1.0000e+02 1.0000e+02 7.0000e+00 5.0000e-10 9.5993e-01 3.9487e-02 9.9942e-01 6.3895e+01 6.4281e+01 6.8331e+00 1.5000e-09 9.3302e-01 6.6396e-02 9.9942e-01 2.0964e+01 2.1907e+01 6.7140e+00 - 2.5000e-09 8.7882e-01 1.2060e-01 9.9942e-01 4.5727e+00 5.8404e+00 6.6845e+00 - 3.5000e-09 7.9247e-01 2.0694e-01 9.9942e-01 5.8618e-01 1.5006e+00 6.7560e+00 - 4.5000e-09 6.6071e-01 3.3870e-01 9.9942e-01 4.3519e-02 3.5004e-01 6.8731e+00 - 5.5000e-09 5.4232e-01 4.5710e-01 9.9942e-01 2.9241e-03 6.1257e-02 6.9673e+00 - 6.5000e-09 5.0560e-01 4.9381e-01 9.9942e-01 2.1238e-04 7.3508e-03 6.9957e+00 - 7.5000e-09 5.0055e-01 4.9887e-01 9.9942e-01 1.3888e-05 6.7826e-04 6.9994e+00 - 8.5000e-09 5.0006e-01 4.9935e-01 9.9942e-01 7.6314e-07 5.1373e-05 6.9998e+00 - 9.5000e-09 5.0002e-01 4.9939e-01 9.9942e-01 3.6371e-08 3.4058e-06 6.9998e+00 7.4206e+02 8.8779e+01 + 2.5000e-09 8.7882e-01 1.2060e-01 9.9942e-01 4.5726e+00 5.8403e+00 6.6845e+00 + 3.5000e-09 7.9247e-01 2.0694e-01 9.9942e-01 5.8615e-01 1.5006e+00 6.7560e+00 + 4.5000e-09 6.6071e-01 3.3870e-01 9.9942e-01 4.3516e-02 3.5004e-01 6.8731e+00 + 5.5000e-09 5.4232e-01 4.5710e-01 9.9942e-01 2.9237e-03 6.1257e-02 6.9673e+00 + 6.5000e-09 5.0560e-01 4.9381e-01 9.9942e-01 2.1234e-04 7.3508e-03 6.9957e+00 + 7.5000e-09 5.0055e-01 4.9887e-01 9.9942e-01 1.3884e-05 6.7825e-04 6.9994e+00 + 8.5000e-09 5.0006e-01 4.9935e-01 9.9942e-01 7.6285e-07 5.1373e-05 6.9998e+00 + 9.5000e-09 5.0002e-01 4.9939e-01 9.9942e-01 3.6354e-08 3.4057e-06 6.9998e+00 7.4205e+02 8.8778e+01 diff --git a/mytest/debye1_101.sel b/mytest/debye1_101.sel index 25326d191..c37480335 100644 --- a/mytest/debye1_101.sel +++ b/mytest/debye1_101.sel @@ -1,47 +1,47 @@ Mu SC - 0.100000121159 10609.0349322472 - 0.000300016059 20.2346346714 - 0.100000121159 10609.0349322472 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.000300016060 20.2346346709 - 0.100000121159 10609.0349322472 - 0.063885357563 6956.2978190360 - 0.019912923549 2278.8821595557 - 0.004682580165 546.6684191764 - 0.001058741446 113.7415940677 - 0.000409123849 33.6710510575 - 0.000313602775 21.8539632318 - 0.000301449393 20.4005249762 - 0.000300142813 20.2490641407 - 0.000300025508 20.2357007642 - 0.000300016686 20.2347049900 - 0.100000121159 10609.0349322472 - 0.000300008841 5.0644644519 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.000300008841 5.0644644516 - 0.100000121159 10609.0349322472 - 0.064548303744 6469.0909546803 - 0.022512316221 2203.4614202916 - 0.006627327226 556.3050367625 - 0.002142273989 127.8227555504 - 0.000735601330 26.7886671265 - 0.000370548437 7.9342757690 - 0.000308286459 5.3806255501 - 0.000300813677 5.0943880263 - 0.000300105800 5.0676257817 - 0.000300051127 5.0655658845 + 0.100000121159 10609.0349042419 + 0.000300016059 20.2337881015 + 0.100000121159 10609.0349042419 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.000300016060 20.2337881010 + 0.100000121159 10609.0349042419 + 0.063885357563 6956.2910415313 + 0.019912923549 2278.8765041781 + 0.004682580165 546.6662318241 + 0.001058741446 113.7405017860 + 0.000409123849 33.6701215713 + 0.000313602775 21.8530991467 + 0.000301449393 20.3996766020 + 0.000300142813 20.2482174300 + 0.000300025508 20.2348541848 + 0.000300016686 20.2338584149 + 0.100000121159 10609.0349042419 + 0.000300008841 5.0642525723 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.000300008841 5.0642525720 + 0.100000121159 10609.0349042419 + 0.064548068562 6469.0613186588 + 0.022512133485 2203.4361689658 + 0.006627284224 556.2971616433 + 0.002142272097 127.8211441430 + 0.000735601358 26.7881696896 + 0.000370548548 7.9340054860 + 0.000308286426 5.3804045727 + 0.000300813618 5.0941737810 + 0.000300105797 5.0674135698 + 0.000300051146 5.0653543234 diff --git a/mytest/delta_h.out b/mytest/delta_h.out index fc73ce9d9..af0786d8b 100644 --- a/mytest/delta_h.out +++ b/mytest/delta_h.out @@ -51,10 +51,10 @@ Initial solution 1. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 1713 + Specific Conductance (µS/cm, 25°C) = 1708 Density (g/cm³) = 0.99833 Volume (L) = 1.00345 - Viscosity (mPa s) = 0.89964 + Viscosity (mPa s) = 0.90503 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.904e-02 Mass of water (kg) = 1.000e+00 @@ -219,10 +219,10 @@ Gypsum 0.00 -4.58 -4.58 1.000e+01 9.986e+00 -1.364e-02 pH = 6.215 Charge balance pe = 11.357 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2973 + Specific Conductance (µS/cm, 25°C) = 2967 Density (g/cm³) = 0.99944 Volume (L) = 1.00411 - Viscosity (mPa s) = 0.90448 + Viscosity (mPa s) = 0.90914 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.846e-02 Mass of water (kg) = 1.001e+00 @@ -358,10 +358,10 @@ Gypsum 0.00 -4.62 -4.62 1.000e+01 9.986e+00 -1.432e-02 pH = 5.976 Charge balance pe = 9.681 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 4574 + Specific Conductance (µS/cm, 50°C) = 4563 Density (g/cm³) = 0.99033 Volume (L) = 1.01338 - Viscosity (mPa s) = 0.55647 + Viscosity (mPa s) = 0.55965 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.618e-02 Mass of water (kg) = 1.001e+00 diff --git a/mytest/delta_h_101.sel b/mytest/delta_h_101.sel index a572a49a0..62686fae9 100644 --- a/mytest/delta_h_101.sel +++ b/mytest/delta_h_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.029040414359 1713.9074091231 - 0.048460573379 2973.8866723498 - 0.046176674436 4574.8945463390 + 0.029040414359 1708.0751181856 + 0.048460573379 2967.1544429742 + 0.046176674436 4563.8336529438 diff --git a/mytest/deltas.out b/mytest/deltas.out index 746ea7a76..bf469a538 100644 --- a/mytest/deltas.out +++ b/mytest/deltas.out @@ -893,7 +893,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.000e+01 -3.435e-04 Specific Conductance (µS/cm, 25°C) = 219 Density (g/cm³) = 0.99715 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89167 + Viscosity (mPa s) = 0.89168 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.996e-03 Mass of water (kg) = 1.000e+00 @@ -1021,7 +1021,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.000e+01 -3.648e-04 Specific Conductance (µS/cm, 25°C) = 219 Density (g/cm³) = 0.99715 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89167 + Viscosity (mPa s) = 0.89168 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.996e-03 Mass of water (kg) = 1.000e+00 @@ -1323,7 +1323,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.999e+00 -3.541e-04 Specific Conductance (µS/cm, 25°C) = 219 Density (g/cm³) = 0.99715 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89167 + Viscosity (mPa s) = 0.89168 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.998e-03 Mass of water (kg) = 1.000e+00 @@ -1451,7 +1451,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.999e+00 -4.028e-04 Specific Conductance (µS/cm, 25°C) = 415 Density (g/cm³) = 0.99725 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89279 + Viscosity (mPa s) = 0.89284 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.766e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/deltas_101.sel b/mytest/deltas_101.sel index 01d7043f7..1197fd3f0 100644 --- a/mytest/deltas_101.sel +++ b/mytest/deltas_101.sel @@ -1,16 +1,16 @@ Mu SC 0.000000100661 0.0546997340 - 0.000488657030 43.4434067299 - 0.002994393196 218.3905853083 - 0.000488657030 43.4434067299 - 0.000488657030 43.4434067299 - 0.000488657030 43.4434067299 - 0.000488657030 43.4434067299 - 0.000488657030 43.4434067299 - 0.002995923028 219.3724952388 - 0.002995923099 219.3724713774 - 0.000488657030 43.4434067299 - 0.000488657030 43.4434067299 - 0.002998135200 219.5307725685 - 0.005765629765 415.6713039469 - 0.000488657030 43.4434067299 + 0.000488657030 43.4432778374 + 0.002994393196 218.3889495261 + 0.000488657030 43.4432778374 + 0.000488657030 43.4432778374 + 0.000488657030 43.4432778374 + 0.000488657030 43.4432778374 + 0.000488657030 43.4432778374 + 0.002995923028 219.3708710501 + 0.002995923099 219.3708471877 + 0.000488657030 43.4432778374 + 0.000488657030 43.4432778374 + 0.002998135200 219.5291438934 + 0.005765629765 415.6534371229 + 0.000488657030 43.4432778374 diff --git a/mytest/densities.out b/mytest/densities.out index 154022696..a3d32151b 100644 --- a/mytest/densities.out +++ b/mytest/densities.out @@ -142,10 +142,10 @@ Initial solution 1. pH = 7.600 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 1513 + Specific Conductance (µS/cm, 10°C) = 1512 Density (g/cm³) = 1.00123 Volume (L) = 1.00095 - Viscosity (mPa s) = 1.30268 + Viscosity (mPa s) = 1.30479 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.015e-02 Mass of water (kg) = 1.000e+00 @@ -286,7 +286,6 @@ Na 7.628e-03 NaSO4- 1.625e-05 1.396e-05 -4.789 -4.855 -0.066 -14.15 NaHPO4- 6.044e-07 5.189e-07 -6.219 -6.285 -0.066 35.63 NaF 4.148e-08 4.177e-08 -7.382 -7.379 0.003 6.58 - NaOH 7.834e-20 7.889e-20 -19.106 -19.103 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.734 -44.731 0.003 29.01 P 1.673e-04 @@ -403,10 +402,10 @@ Initial solution 2. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 1146 + Specific Conductance (µS/cm, 11°C) = 1143 Density (g/cm³) = 1.00080 Volume (L) = 1.00084 - Viscosity (mPa s) = 1.29456 + Viscosity (mPa s) = 1.29940 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.243e-02 Mass of water (kg) = 1.000e+00 @@ -547,7 +546,6 @@ Na 6.577e-03 NaHPO4- 3.688e-07 3.219e-07 -6.433 -6.492 -0.059 35.18 NaSO4- 1.035e-07 9.035e-08 -6.985 -7.044 -0.059 -15.38 NaF 3.031e-08 3.047e-08 -7.518 -7.516 0.002 6.59 - NaOH 1.394e-20 1.401e-20 -19.856 -19.854 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.497 -47.494 0.002 29.02 P 1.830e-04 @@ -665,10 +663,10 @@ Initial solution 3. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 1782 + Specific Conductance (µS/cm, 10°C) = 1779 Density (g/cm³) = 1.00122 Volume (L) = 1.00099 - Viscosity (mPa s) = 1.30317 + Viscosity (mPa s) = 1.30669 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.202e-02 Mass of water (kg) = 1.000e+00 @@ -813,7 +811,6 @@ Na 1.207e-02 NaHPO4- 7.524e-07 6.437e-07 -6.124 -6.191 -0.068 35.73 NaSO4- 6.233e-07 5.336e-07 -6.205 -6.273 -0.067 -13.88 NaF 4.684e-08 4.718e-08 -7.329 -7.326 0.003 6.58 - NaOH 3.117e-20 3.140e-20 -19.506 -19.503 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.135 -47.131 0.003 29.01 P 1.891e-04 @@ -931,10 +928,10 @@ Initial solution 4. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 2491 + Specific Conductance (µS/cm, 10°C) = 2487 Density (g/cm³) = 1.00179 Volume (L) = 1.00116 - Viscosity (mPa s) = 1.31550 + Viscosity (mPa s) = 1.31919 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.400e-02 Mass of water (kg) = 1.000e+00 @@ -1079,7 +1076,6 @@ Na 1.976e-02 NaSO4- 3.112e-06 2.613e-06 -5.507 -5.583 -0.076 -12.47 NaHPO4- 1.046e-06 8.774e-07 -5.980 -6.057 -0.076 36.42 NaF 6.175e-08 6.237e-08 -7.209 -7.205 0.004 6.57 - NaOH 4.891e-20 4.941e-20 -19.311 -19.306 0.004 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.209 -47.205 0.004 28.98 P 1.704e-04 @@ -1196,10 +1192,10 @@ Initial solution 5. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 3310 + Specific Conductance (µS/cm, 10°C) = 3305 Density (g/cm³) = 1.00225 Volume (L) = 1.00131 - Viscosity (mPa s) = 1.31147 + Viscosity (mPa s) = 1.31433 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.710e-02 Mass of water (kg) = 1.000e+00 @@ -1340,7 +1336,6 @@ Na 2.592e-02 NaSO4- 2.658e-06 2.194e-06 -5.576 -5.659 -0.083 -11.13 NaHPO4- 1.164e-06 9.597e-07 -5.934 -6.018 -0.084 37.18 NaF 7.040e-08 7.133e-08 -7.152 -7.147 0.006 6.58 - NaOH 6.400e-20 6.485e-20 -19.194 -19.188 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.138 -47.132 0.006 29.01 P 1.596e-04 @@ -1459,10 +1454,10 @@ Initial solution 6. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 2943 + Specific Conductance (µS/cm, 10°C) = 2939 Density (g/cm³) = 1.00191 Volume (L) = 1.00108 - Viscosity (mPa s) = 1.30764 + Viscosity (mPa s) = 1.31013 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.334e-02 Mass of water (kg) = 1.000e+00 @@ -1615,7 +1610,6 @@ Na 1.937e-02 NaHPO4- 5.877e-07 4.868e-07 -6.231 -6.313 -0.082 36.96 NaSO4- 1.866e-07 1.548e-07 -6.729 -6.810 -0.081 -11.47 NaF 3.498e-08 3.542e-08 -7.456 -7.451 0.005 6.58 - NaOH 3.828e-20 3.875e-20 -19.417 -19.412 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.537 -47.532 0.005 29.01 P 1.258e-04 @@ -1732,10 +1726,10 @@ Initial solution 7. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 8°C) = 1315 + Specific Conductance (µS/cm, 8°C) = 1311 Density (g/cm³) = 1.00138 Volume (L) = 1.00078 - Viscosity (mPa s) = 1.41187 + Viscosity (mPa s) = 1.41929 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.972e-02 Mass of water (kg) = 1.000e+00 @@ -1876,7 +1870,6 @@ Na 5.883e-03 NaSO4- 9.879e-06 8.499e-06 -5.005 -5.071 -0.065 -15.05 NaHPO4- 5.189e-07 4.461e-07 -6.285 -6.351 -0.066 35.60 NaF 2.849e-08 2.868e-08 -7.545 -7.542 0.003 6.41 - NaOH 1.185e-20 1.193e-20 -19.926 -19.923 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.170 -48.167 0.003 28.66 P 2.672e-04 @@ -1995,10 +1988,10 @@ Initial solution 8. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 1218 + Specific Conductance (µS/cm, 10°C) = 1215 Density (g/cm³) = 1.00097 Volume (L) = 1.00088 - Viscosity (mPa s) = 1.31465 + Viscosity (mPa s) = 1.32036 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.433e-02 Mass of water (kg) = 1.000e+00 @@ -2151,7 +2144,6 @@ Na 5.838e-03 NaSO4- 3.536e-06 3.074e-06 -5.452 -5.512 -0.061 -15.19 NaHPO4- 2.818e-07 2.449e-07 -6.550 -6.611 -0.061 35.29 NaF 2.880e-08 2.896e-08 -7.541 -7.538 0.002 6.56 - NaOH 1.176e-20 1.183e-20 -19.930 -19.927 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.680 -47.678 0.002 28.96 P 1.603e-04 @@ -2269,10 +2261,10 @@ Initial solution 9. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 1816 + Specific Conductance (µS/cm, 10°C) = 1813 Density (g/cm³) = 1.00130 Volume (L) = 1.00100 - Viscosity (mPa s) = 1.31128 + Viscosity (mPa s) = 1.31507 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.306e-02 Mass of water (kg) = 1.000e+00 @@ -2417,7 +2409,6 @@ Na 1.177e-02 NaHPO4- 6.400e-07 5.465e-07 -6.194 -6.262 -0.069 35.79 NaSO4- 3.041e-07 2.598e-07 -6.517 -6.585 -0.068 -13.80 NaF 4.588e-08 4.623e-08 -7.338 -7.335 0.003 6.57 - NaOH 2.978e-20 3.000e-20 -19.526 -19.523 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.208 -47.205 0.003 28.98 P 1.683e-04 @@ -2535,10 +2526,10 @@ Initial solution 10. pH = 6.800 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 2488 + Specific Conductance (µS/cm, 10°C) = 2483 Density (g/cm³) = 1.00169 Volume (L) = 1.00108 - Viscosity (mPa s) = 1.31365 + Viscosity (mPa s) = 1.31735 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.516e-02 Mass of water (kg) = 1.000e+00 @@ -2683,7 +2674,6 @@ Na 1.653e-02 NaHPO4- 6.156e-07 5.156e-07 -6.211 -6.288 -0.077 36.49 NaSO4- 2.121e-07 1.778e-07 -6.673 -6.750 -0.077 -12.34 NaF 5.414e-08 5.471e-08 -7.266 -7.262 0.005 6.57 - NaOH 2.582e-20 2.609e-20 -19.588 -19.584 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.009 -48.005 0.005 28.98 P 1.604e-04 @@ -2802,10 +2792,10 @@ Initial solution 11. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 3363 + Specific Conductance (µS/cm, 11°C) = 3358 Density (g/cm³) = 1.00231 Volume (L) = 1.00137 - Viscosity (mPa s) = 1.30734 + Viscosity (mPa s) = 1.31031 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.798e-02 Mass of water (kg) = 1.000e+00 @@ -2958,7 +2948,6 @@ Na 2.619e-02 NaSO4- 1.235e-05 1.019e-05 -4.908 -4.992 -0.084 -11.02 NaHPO4- 1.394e-06 1.148e-06 -5.856 -5.940 -0.084 37.23 NaF 7.809e-08 7.914e-08 -7.107 -7.102 0.006 6.59 - NaOH 6.511e-20 6.599e-20 -19.186 -19.181 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.101 -47.095 0.006 29.02 P 1.893e-04 @@ -3077,10 +3066,10 @@ Initial solution 12. pH = 7.100 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 1432 + Specific Conductance (µS/cm, 10°C) = 1429 Density (g/cm³) = 1.00120 Volume (L) = 1.00092 - Viscosity (mPa s) = 1.32445 + Viscosity (mPa s) = 1.32986 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.910e-02 Mass of water (kg) = 1.000e+00 @@ -3233,7 +3222,6 @@ Na 6.276e-03 NaSO4- 2.322e-05 1.999e-05 -4.634 -4.699 -0.065 -14.48 NaF 3.308e-08 3.330e-08 -7.480 -7.478 0.003 6.54 NaHPO4- 2.823e-08 2.429e-08 -7.549 -7.615 -0.065 35.56 - NaOH 1.937e-20 1.950e-20 -19.713 -19.710 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.954 -46.951 0.003 28.94 P 1.217e-05 @@ -3351,10 +3339,10 @@ Initial solution 13. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 1219 + Specific Conductance (µS/cm, 11°C) = 1217 Density (g/cm³) = 1.00085 Volume (L) = 1.00084 - Viscosity (mPa s) = 1.29153 + Viscosity (mPa s) = 1.29561 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.375e-02 Mass of water (kg) = 1.000e+00 @@ -3499,7 +3487,6 @@ Na 7.101e-03 NaSO4- 1.100e-05 9.577e-06 -4.959 -5.019 -0.060 -15.12 NaHPO4- 4.588e-07 3.992e-07 -6.338 -6.399 -0.060 35.25 NaF 3.524e-08 3.543e-08 -7.453 -7.451 0.002 6.59 - NaOH 1.901e-20 1.912e-20 -19.721 -19.719 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.060 -47.058 0.002 29.03 P 1.929e-04 @@ -3617,10 +3604,10 @@ Initial solution 14. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 1778 + Specific Conductance (µS/cm, 11°C) = 1775 Density (g/cm³) = 1.00120 Volume (L) = 1.00101 - Viscosity (mPa s) = 1.29175 + Viscosity (mPa s) = 1.29566 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.199e-02 Mass of water (kg) = 1.000e+00 @@ -3765,7 +3752,6 @@ Na 1.164e-02 NaSO4- 2.904e-05 2.486e-05 -4.537 -4.604 -0.067 -13.81 NaHPO4- 5.762e-07 4.929e-07 -6.239 -6.307 -0.068 35.73 NaF 4.659e-08 4.694e-08 -7.332 -7.328 0.003 6.60 - NaOH 2.445e-20 2.463e-20 -19.612 -19.608 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.425 -47.422 0.003 29.04 P 1.742e-04 @@ -3884,10 +3870,10 @@ Initial solution 15. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 2575 + Specific Conductance (µS/cm, 11°C) = 2572 Density (g/cm³) = 1.00176 Volume (L) = 1.00112 - Viscosity (mPa s) = 1.30357 + Viscosity (mPa s) = 1.30658 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.482e-02 Mass of water (kg) = 1.000e+00 @@ -4040,7 +4026,6 @@ Na 2.146e-02 NaSO4- 2.785e-05 2.335e-05 -4.555 -4.632 -0.076 -12.30 NaHPO4- 1.024e-06 8.582e-07 -5.990 -6.066 -0.077 36.47 NaF 8.977e-08 9.071e-08 -7.047 -7.042 0.004 6.59 - NaOH 5.445e-20 5.502e-20 -19.264 -19.260 0.004 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.099 -47.095 0.004 29.02 P 1.565e-04 @@ -4158,10 +4143,10 @@ Initial solution 16. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 3429 + Specific Conductance (µS/cm, 11°C) = 3422 Density (g/cm³) = 1.00236 Volume (L) = 1.00140 - Viscosity (mPa s) = 1.30879 + Viscosity (mPa s) = 1.31252 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.916e-02 Mass of water (kg) = 1.000e+00 @@ -4306,7 +4291,6 @@ Na 2.680e-02 NaSO4- 2.214e-05 1.823e-05 -4.655 -4.739 -0.084 -10.92 NaHPO4- 1.102e-06 9.067e-07 -5.958 -6.043 -0.085 37.30 NaF 8.218e-08 8.331e-08 -7.085 -7.079 0.006 6.59 - NaOH 5.281e-20 5.353e-20 -19.277 -19.271 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.501 -47.495 0.006 29.02 P 1.616e-04 @@ -4423,10 +4407,10 @@ Initial solution 17. pH = 6.870 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 1179 + Specific Conductance (µS/cm, 11°C) = 1176 Density (g/cm³) = 1.00082 Volume (L) = 1.00092 - Viscosity (mPa s) = 1.28783 + Viscosity (mPa s) = 1.29317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.264e-02 Mass of water (kg) = 1.000e+00 @@ -4567,7 +4551,6 @@ Na 6.447e-03 NaSO4- 1.323e-06 1.155e-06 -5.878 -5.938 -0.059 -15.28 NaHPO4- 4.283e-07 3.737e-07 -6.368 -6.428 -0.059 35.19 NaF 4.076e-08 4.098e-08 -7.390 -7.387 0.002 6.60 - NaOH 1.296e-20 1.303e-20 -19.887 -19.885 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.544 -47.541 0.002 29.04 P 2.206e-04 @@ -4686,10 +4669,10 @@ Initial solution 18. pH = 7.030 pe = 4.000 - Specific Conductance (µS/cm, 10°C) = 1666 + Specific Conductance (µS/cm, 10°C) = 1664 Density (g/cm³) = 1.00113 Volume (L) = 1.00091 - Viscosity (mPa s) = 1.30177 + Viscosity (mPa s) = 1.30487 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.020e-02 Mass of water (kg) = 1.000e+00 @@ -4842,7 +4825,6 @@ Na 1.211e-02 NaHPO4- 9.025e-07 7.747e-07 -6.045 -6.111 -0.066 35.63 NaSO4- 3.052e-07 2.622e-07 -6.515 -6.581 -0.066 -14.14 NaF 7.430e-08 7.482e-08 -7.129 -7.126 0.003 6.58 - NaOH 3.367e-20 3.390e-20 -19.473 -19.470 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.014 -47.011 0.003 29.01 P 2.187e-04 @@ -4961,10 +4943,10 @@ Initial solution 19. pH = 6.910 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 2648 + Specific Conductance (µS/cm, 11°C) = 2644 Density (g/cm³) = 1.00169 Volume (L) = 1.00125 - Viscosity (mPa s) = 1.28920 + Viscosity (mPa s) = 1.29248 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.438e-02 Mass of water (kg) = 1.000e+00 @@ -5117,7 +5099,6 @@ Na 1.998e-02 NaHPO4- 9.488e-07 7.954e-07 -6.023 -6.099 -0.077 36.46 NaSO4- 3.587e-07 3.009e-07 -6.445 -6.522 -0.076 -12.24 NaF 1.193e-07 1.205e-07 -6.923 -6.919 0.004 6.61 - NaOH 4.276e-20 4.320e-20 -19.369 -19.365 0.004 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.313 -47.309 0.004 29.07 P 1.664e-04 @@ -5236,10 +5217,10 @@ Initial solution 20. pH = 6.930 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 3286 + Specific Conductance (µS/cm, 11°C) = 3281 Density (g/cm³) = 1.00208 Volume (L) = 1.00137 - Viscosity (mPa s) = 1.28105 + Viscosity (mPa s) = 1.28403 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.485e-02 Mass of water (kg) = 1.000e+00 @@ -5392,7 +5373,6 @@ Na 2.723e-02 NaSO4- 1.310e-05 1.084e-05 -4.883 -4.965 -0.082 -11.12 NaHPO4- 1.213e-06 1.002e-06 -5.916 -5.999 -0.083 37.07 NaF 1.987e-07 2.013e-07 -6.702 -6.696 0.005 6.63 - NaOH 6.157e-20 6.236e-20 -19.211 -19.205 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.125 -47.120 0.005 29.10 P 1.635e-04 @@ -5514,7 +5494,7 @@ Initial solution 21. Specific Conductance (µS/cm, 7°C) = 99 Density (g/cm³) = 0.99999 Volume (L) = 1.00012 - Viscosity (mPa s) = 1.42838 + Viscosity (mPa s) = 1.42850 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.890e-03 Mass of water (kg) = 1.000e+00 @@ -5667,7 +5647,6 @@ Na 5.107e-04 NaHCO3 1.484e-07 1.485e-07 -6.829 -6.828 0.000 31.88 NaHPO4- 3.752e-09 3.583e-09 -8.426 -8.446 -0.020 34.05 NaF 1.171e-09 1.171e-09 -8.932 -8.931 0.000 6.36 - NaOH 1.254e-21 1.254e-21 -20.902 -20.902 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.188 -48.188 0.000 28.57 P 1.136e-05 @@ -5785,10 +5764,10 @@ Initial solution 22. pH = 7.040 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 1176 + Specific Conductance (µS/cm, 11°C) = 1174 Density (g/cm³) = 1.00071 Volume (L) = 1.00091 - Viscosity (mPa s) = 1.26665 + Viscosity (mPa s) = 1.27023 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.220e-02 Mass of water (kg) = 1.000e+00 @@ -5933,7 +5912,6 @@ Na 6.273e-03 NaHPO4- 5.328e-07 4.652e-07 -6.273 -6.332 -0.059 35.16 NaSO4- 3.929e-07 3.433e-07 -6.406 -6.464 -0.059 -15.20 NaF 5.020e-08 5.046e-08 -7.299 -7.297 0.002 6.63 - NaOH 1.966e-20 1.976e-20 -19.706 -19.704 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.652 -46.650 0.002 29.11 P 2.345e-04 @@ -6052,10 +6030,10 @@ Initial solution 23. pH = 6.970 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 1078 + Specific Conductance (µS/cm, 11°C) = 1077 Density (g/cm³) = 1.00052 Volume (L) = 1.00076 - Viscosity (mPa s) = 1.28205 + Viscosity (mPa s) = 1.28406 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.847e-02 Mass of water (kg) = 1.000e+00 @@ -6208,7 +6186,6 @@ Na 7.360e-03 NaSO4- 1.951e-06 1.721e-06 -5.710 -5.764 -0.054 -16.07 NaHPO4- 5.946e-07 5.243e-07 -6.226 -6.280 -0.055 34.94 NaF 6.893e-08 6.923e-08 -7.162 -7.160 0.002 6.60 - NaOH 1.906e-20 1.914e-20 -19.720 -19.718 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.107 -47.105 0.002 29.06 P 2.117e-04 @@ -6330,7 +6307,7 @@ Initial solution 24. Specific Conductance (µS/cm, 11°C) = 673 Density (g/cm³) = 1.00013 Volume (L) = 1.00061 - Viscosity (mPa s) = 1.27134 + Viscosity (mPa s) = 1.27186 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.063e-02 Mass of water (kg) = 1.000e+00 @@ -6483,7 +6460,6 @@ Na 5.572e-03 NaSO4- 4.903e-06 4.437e-06 -5.310 -5.353 -0.043 -18.05 NaHPO4- 4.452e-07 4.028e-07 -6.351 -6.395 -0.044 34.47 NaF 7.531e-08 7.550e-08 -7.123 -7.122 0.001 6.62 - NaOH 3.465e-20 3.474e-20 -19.460 -19.459 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.593 -45.592 0.001 29.08 P 1.216e-04 @@ -6600,10 +6576,10 @@ Initial solution 25. pH = 6.960 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 2382 + Specific Conductance (µS/cm, 11°C) = 2379 Density (g/cm³) = 1.00140 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.28515 + Viscosity (mPa s) = 1.28738 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.862e-02 Mass of water (kg) = 1.000e+00 @@ -6744,7 +6720,6 @@ Na 1.927e-02 NaSO4- 4.306e-06 3.644e-06 -5.366 -5.438 -0.072 -12.89 NaHPO4- 1.091e-06 9.229e-07 -5.962 -6.035 -0.073 36.12 NaF 1.248e-07 1.259e-07 -6.904 -6.900 0.004 6.61 - NaOH 4.694e-20 4.736e-20 -19.328 -19.325 0.004 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.102 -47.098 0.004 29.07 P 1.743e-04 @@ -6863,10 +6838,10 @@ Initial solution 26. pH = 4.020 pe = 4.000 - Specific Conductance (µS/cm, 7°C) = 40 + Specific Conductance (µS/cm, 7°C) = 39 Density (g/cm³) = 1.00022 Volume (L) = 1.00106 - Viscosity (mPa s) = 1.42733 + Viscosity (mPa s) = 1.43271 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.444e-04 Mass of water (kg) = 1.000e+00 @@ -7019,7 +6994,6 @@ Na 8.791e-05 NaHCO3 4.170e-09 4.170e-09 -8.380 -8.380 0.000 31.88 NaF 5.740e-11 5.741e-11 -10.241 -10.241 0.000 6.36 NaHPO4- 4.668e-14 4.573e-14 -13.331 -13.340 -0.009 33.95 - NaOH 2.021e-25 2.021e-25 -24.694 -24.694 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.348 -60.348 0.000 28.57 P 4.821e-07 @@ -7141,7 +7115,7 @@ Initial solution 27. Specific Conductance (µS/cm, 7°C) = 45 Density (g/cm³) = 0.99994 Volume (L) = 1.00011 - Viscosity (mPa s) = 1.42789 + Viscosity (mPa s) = 1.42798 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.387e-04 Mass of water (kg) = 1.000e+00 @@ -7294,7 +7268,6 @@ Na 1.865e-04 NaHCO3 4.262e-08 4.263e-08 -7.370 -7.370 0.000 31.88 NaHPO4- 7.165e-10 6.943e-10 -9.145 -9.158 -0.014 33.98 NaF 2.047e-10 2.048e-10 -9.689 -9.689 0.000 6.36 - NaOH 5.991e-22 5.992e-22 -21.223 -21.222 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.748 -47.748 0.000 28.57 P 4.831e-06 @@ -7416,7 +7389,7 @@ Initial solution 28. Specific Conductance (µS/cm, 10°C) = 518 Density (g/cm³) = 1.00018 Volume (L) = 1.00052 - Viscosity (mPa s) = 1.30357 + Viscosity (mPa s) = 1.30494 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.576e-03 Mass of water (kg) = 1.000e+00 @@ -7569,7 +7542,6 @@ Na 3.151e-03 NaSO4- 1.365e-06 1.241e-06 -5.865 -5.906 -0.041 -18.66 NaHPO4- 3.213e-07 2.920e-07 -6.493 -6.535 -0.042 34.42 NaF 2.543e-08 2.548e-08 -7.595 -7.594 0.001 6.56 - NaOH 1.071e-20 1.074e-20 -19.970 -19.969 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.842 -46.841 0.001 28.97 P 2.027e-04 @@ -7691,7 +7663,7 @@ Initial solution 29. Specific Conductance (µS/cm, 10°C) = 311 Density (g/cm³) = 0.99997 Volume (L) = 1.00040 - Viscosity (mPa s) = 1.31279 + Viscosity (mPa s) = 1.31328 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.256e-03 Mass of water (kg) = 1.000e+00 @@ -7844,7 +7816,6 @@ Na 2.055e-03 NaSO4- 1.147e-06 1.066e-06 -5.940 -5.972 -0.032 -20.64 NaHPO4- 1.369e-07 1.272e-07 -6.864 -6.896 -0.032 34.17 NaF 2.117e-08 2.120e-08 -7.674 -7.674 0.001 6.54 - NaOH 7.650e-21 7.659e-21 -20.116 -20.116 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.791 -46.791 0.001 28.94 P 1.067e-04 @@ -7966,7 +7937,7 @@ Initial solution 30. Specific Conductance (µS/cm, 10°C) = 195 Density (g/cm³) = 0.99988 Volume (L) = 1.00034 - Viscosity (mPa s) = 1.31553 + Viscosity (mPa s) = 1.31578 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.287e-03 Mass of water (kg) = 1.000e+00 @@ -8119,7 +8090,6 @@ Na 1.173e-03 NaSO4- 8.310e-07 7.829e-07 -6.080 -6.106 -0.026 -21.98 NaHPO4- 2.444e-08 2.303e-08 -7.612 -7.638 -0.026 34.05 NaF 7.475e-09 7.481e-09 -8.126 -8.126 0.000 6.54 - NaOH 4.498e-21 4.502e-21 -20.347 -20.347 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.788 -46.788 0.000 28.92 P 3.083e-05 @@ -8241,7 +8211,7 @@ Initial solution 31. Specific Conductance (µS/cm, 10°C) = 262 Density (g/cm³) = 0.99994 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.31613 + Viscosity (mPa s) = 1.31640 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.275e-03 Mass of water (kg) = 1.000e+00 @@ -8394,7 +8364,6 @@ Na 2.340e-03 NaSO4- 1.532e-06 1.432e-06 -5.815 -5.844 -0.029 -21.26 NaHPO4- 1.487e-07 1.391e-07 -6.828 -6.857 -0.029 34.11 NaF 3.693e-08 3.696e-08 -7.433 -7.432 0.000 6.54 - NaOH 1.257e-20 1.258e-20 -19.901 -19.900 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.188 -46.188 0.000 28.92 P 8.103e-05 @@ -8516,7 +8485,7 @@ Initial solution 32. Specific Conductance (µS/cm, 9°C) = 187 Density (g/cm³) = 0.99999 Volume (L) = 1.00026 - Viscosity (mPa s) = 1.36258 + Viscosity (mPa s) = 1.36300 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.519e-03 Mass of water (kg) = 1.000e+00 @@ -8669,7 +8638,6 @@ Na 1.010e-03 NaSO4- 4.764e-07 4.481e-07 -6.322 -6.349 -0.027 -22.18 NaHPO4- 7.137e-08 6.711e-08 -7.146 -7.173 -0.027 34.10 NaF 1.459e-08 1.460e-08 -7.836 -7.836 0.000 6.46 - NaOH 4.269e-21 4.272e-21 -20.370 -20.369 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.871 -46.871 0.000 28.77 P 9.803e-05 @@ -8791,7 +8759,7 @@ Initial solution 33. Specific Conductance (µS/cm, 8°C) = 98 Density (g/cm³) = 0.99991 Volume (L) = 1.00021 - Viscosity (mPa s) = 1.37373 + Viscosity (mPa s) = 1.37391 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.778e-03 Mass of water (kg) = 1.000e+00 @@ -8944,7 +8912,6 @@ Na 3.486e-04 NaHCO3 1.553e-07 1.554e-07 -6.809 -6.808 0.000 31.87 NaHPO4- 8.580e-09 8.203e-09 -8.067 -8.086 -0.019 34.00 NaF 1.708e-09 1.709e-09 -8.768 -8.767 0.000 6.45 - NaOH 1.272e-21 1.272e-21 -20.896 -20.895 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.223 -47.222 0.000 28.74 P 3.261e-05 @@ -9061,10 +9028,10 @@ Initial solution 34. pH = 6.850 pe = 4.000 - Specific Conductance (µS/cm, 8°C) = 2855 + Specific Conductance (µS/cm, 8°C) = 2850 Density (g/cm³) = 1.00222 Volume (L) = 1.00101 - Viscosity (mPa s) = 1.40761 + Viscosity (mPa s) = 1.41085 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.444e-02 Mass of water (kg) = 1.000e+00 @@ -9205,7 +9172,6 @@ Na 1.867e-02 NaSO4- 8.130e-07 6.736e-07 -6.090 -6.172 -0.082 -12.08 NaHPO4- 5.212e-07 4.315e-07 -6.283 -6.365 -0.082 36.96 NaF 1.029e-07 1.041e-07 -6.988 -6.982 0.005 6.43 - NaOH 2.626e-20 2.659e-20 -19.581 -19.575 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.661 -48.655 0.005 28.70 P 1.189e-04 @@ -9323,7 +9289,7 @@ Initial solution 35. Specific Conductance (µS/cm, 3°C) = 38 Density (g/cm³) = 1.00000 Volume (L) = 1.00007 - Viscosity (mPa s) = 1.64123 + Viscosity (mPa s) = 1.64148 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.411e-04 Mass of water (kg) = 1.000e+00 @@ -9464,7 +9430,6 @@ Na 2.893e-04 NaHCO3 3.959e-08 3.961e-08 -7.402 -7.402 0.000 31.91 NaF 5.379e-10 5.380e-10 -9.269 -9.269 0.000 6.04 NaHPO4- 4.913e-10 4.770e-10 -9.309 -9.321 -0.013 34.12 - NaOH 1.096e-22 1.096e-22 -21.960 -21.960 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.426 -52.426 0.000 27.92 P 7.321e-06 @@ -9583,7 +9548,7 @@ Initial solution 36. Specific Conductance (µS/cm, 8°C) = 127 Density (g/cm³) = 1.00001 Volume (L) = 1.00017 - Viscosity (mPa s) = 1.40340 + Viscosity (mPa s) = 1.40353 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.612e-03 Mass of water (kg) = 1.000e+00 @@ -9732,7 +9697,6 @@ Na 5.025e-04 NaSO4- 3.780e-07 3.583e-07 -6.422 -6.446 -0.023 -23.29 NaHPO4- 3.174e-08 3.009e-08 -7.498 -7.522 -0.023 34.07 NaF 3.291e-09 3.293e-09 -8.483 -8.482 0.000 6.40 - NaOH 5.641e-21 5.645e-21 -20.249 -20.248 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.404 -45.403 0.000 28.65 P 5.978e-05 @@ -9851,7 +9815,7 @@ Initial solution 37. Specific Conductance (µS/cm, 7°C) = 83 Density (g/cm³) = 0.99998 Volume (L) = 1.00013 - Viscosity (mPa s) = 1.42415 + Viscosity (mPa s) = 1.42426 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.731e-03 Mass of water (kg) = 1.000e+00 @@ -10000,7 +9964,6 @@ Na 2.735e-04 NaHCO3 1.064e-07 1.065e-07 -6.973 -6.973 0.000 31.88 NaHPO4- 5.563e-09 5.323e-09 -8.255 -8.274 -0.019 34.04 NaF 7.507e-10 7.510e-10 -9.125 -9.124 0.000 6.37 - NaOH 1.485e-21 1.486e-21 -20.828 -20.828 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.791 -46.790 0.000 28.58 P 2.203e-05 @@ -10118,7 +10081,7 @@ Initial solution 38. Specific Conductance (µS/cm, 8°C) = 123 Density (g/cm³) = 0.99993 Volume (L) = 1.00022 - Viscosity (mPa s) = 1.36609 + Viscosity (mPa s) = 1.36622 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.410e-03 Mass of water (kg) = 1.000e+00 @@ -10259,7 +10222,6 @@ Na 4.437e-04 NaHCO3 2.297e-07 2.300e-07 -6.639 -6.638 0.000 31.87 NaHPO4- 6.322e-09 6.004e-09 -8.199 -8.222 -0.022 34.04 NaF 1.423e-09 1.424e-09 -8.847 -8.846 0.000 6.46 - NaOH 2.712e-21 2.714e-21 -20.567 -20.566 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.268 -46.268 0.000 28.76 P 1.611e-05 @@ -10378,7 +10340,7 @@ Initial solution 39. Specific Conductance (µS/cm, 8°C) = 119 Density (g/cm³) = 0.99994 Volume (L) = 1.00019 - Viscosity (mPa s) = 1.38222 + Viscosity (mPa s) = 1.38233 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.321e-03 Mass of water (kg) = 1.000e+00 @@ -10521,7 +10483,6 @@ Na 2.965e-04 NaHCO3 1.277e-07 1.278e-07 -6.894 -6.893 0.000 31.87 NaHPO4- 3.290e-09 3.127e-09 -8.483 -8.505 -0.022 34.04 NaF 7.214e-10 7.218e-10 -9.142 -9.142 0.000 6.43 - NaOH 1.750e-21 1.751e-21 -20.757 -20.757 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.417 -46.417 0.000 28.71 P 1.245e-05 @@ -10639,10 +10600,10 @@ Initial solution 40. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 12°C) = 1111 + Specific Conductance (µS/cm, 12°C) = 1109 Density (g/cm³) = 1.00071 Volume (L) = 1.00093 - Viscosity (mPa s) = 1.25850 + Viscosity (mPa s) = 1.26314 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.191e-02 Mass of water (kg) = 1.000e+00 @@ -10787,7 +10748,6 @@ Na 5.880e-03 NaHPO4- 6.111e-07 5.340e-07 -6.214 -6.272 -0.059 35.14 NaSO4- 1.163e-07 1.017e-07 -6.934 -6.993 -0.058 -15.20 NaF 2.996e-08 3.011e-08 -7.523 -7.521 0.002 6.64 - NaOH 1.362e-20 1.369e-20 -19.866 -19.864 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.132 -47.130 0.002 29.14 P 3.581e-04 @@ -10905,10 +10865,10 @@ Initial solution 41. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 12°C) = 1717 + Specific Conductance (µS/cm, 12°C) = 1714 Density (g/cm³) = 1.00105 Volume (L) = 1.00107 - Viscosity (mPa s) = 1.26255 + Viscosity (mPa s) = 1.26608 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.019e-02 Mass of water (kg) = 1.000e+00 @@ -11053,7 +11013,6 @@ Na 1.159e-02 NaHPO4- 1.073e-06 9.207e-07 -5.969 -6.036 -0.066 35.63 NaSO4- 1.856e-07 1.594e-07 -6.731 -6.797 -0.066 -13.84 NaF 6.147e-08 6.190e-08 -7.211 -7.208 0.003 6.64 - NaOH 2.630e-20 2.648e-20 -19.580 -19.577 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.133 -47.130 0.003 29.14 P 3.197e-04 @@ -11171,10 +11130,10 @@ Initial solution 42. pH = 6.800 pe = 4.000 - Specific Conductance (µS/cm, 12°C) = 2727 + Specific Conductance (µS/cm, 12°C) = 2721 Density (g/cm³) = 1.00173 Volume (L) = 1.00130 - Viscosity (mPa s) = 1.27137 + Viscosity (mPa s) = 1.27504 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.694e-02 Mass of water (kg) = 1.000e+00 @@ -11319,7 +11278,6 @@ Na 1.845e-02 NaSO4- 1.133e-05 9.471e-06 -4.946 -5.024 -0.078 -11.83 NaHPO4- 1.016e-06 8.488e-07 -5.993 -6.071 -0.078 36.61 NaF 7.485e-08 7.566e-08 -7.126 -7.121 0.005 6.64 - NaOH 3.188e-20 3.223e-20 -19.496 -19.492 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.571 -47.567 0.005 29.12 P 2.417e-04 @@ -11437,10 +11395,10 @@ Initial solution 43. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 11°C) = 3164 + Specific Conductance (µS/cm, 11°C) = 3158 Density (g/cm³) = 1.00200 Volume (L) = 1.00140 - Viscosity (mPa s) = 1.27719 + Viscosity (mPa s) = 1.28039 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.225e-02 Mass of water (kg) = 1.000e+00 @@ -11585,7 +11543,6 @@ Na 2.557e-02 NaSO4- 4.480e-06 3.719e-06 -5.349 -5.430 -0.081 -11.33 NaHPO4- 1.620e-06 1.343e-06 -5.790 -5.872 -0.081 36.92 NaF 1.457e-07 1.475e-07 -6.837 -6.831 0.005 6.63 - NaOH 5.466e-20 5.532e-20 -19.262 -19.257 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.209 -47.203 0.005 29.11 P 2.349e-04 @@ -11707,7 +11664,7 @@ Initial solution 44. Specific Conductance (µS/cm, 7°C) = 122 Density (g/cm³) = 1.00003 Volume (L) = 1.00012 - Viscosity (mPa s) = 1.43348 + Viscosity (mPa s) = 1.43360 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.645e-03 Mass of water (kg) = 1.000e+00 @@ -11860,7 +11817,6 @@ Na 2.738e-04 NaHCO3 1.809e-07 1.811e-07 -6.743 -6.742 0.001 31.88 NaF 1.398e-09 1.399e-09 -8.855 -8.854 0.000 6.35 NaHPO4- 3.613e-10 3.424e-10 -9.442 -9.465 -0.023 34.10 - NaOH 2.882e-21 2.883e-21 -20.540 -20.540 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.666 -45.666 0.000 28.55 P 1.265e-06 @@ -11982,7 +11938,7 @@ Initial solution 45. Specific Conductance (µS/cm, 9°C) = 57 Density (g/cm³) = 0.99985 Volume (L) = 1.00039 - Viscosity (mPa s) = 1.34469 + Viscosity (mPa s) = 1.34550 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.591e-04 Mass of water (kg) = 1.000e+00 @@ -12135,7 +12091,6 @@ Na 2.690e-04 NaHCO3 5.646e-09 5.648e-09 -8.248 -8.248 0.000 31.86 NaF 3.019e-10 3.020e-10 -9.520 -9.520 0.000 6.49 NaHPO4- 2.928e-13 2.847e-13 -12.533 -12.546 -0.012 33.91 - NaOH 1.765e-24 1.766e-24 -23.753 -23.753 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.083 -58.083 0.000 28.83 P 4.080e-07 @@ -12255,7 +12210,7 @@ Initial solution 46. Specific Conductance (µS/cm, 8°C) = 272 Density (g/cm³) = 1.00016 Volume (L) = 1.00034 - Viscosity (mPa s) = 1.37314 + Viscosity (mPa s) = 1.37435 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.618e-03 Mass of water (kg) = 1.000e+00 @@ -12396,7 +12351,6 @@ Na 2.723e-04 NaSO4- 1.061e-07 9.841e-08 -6.974 -7.007 -0.033 -20.92 NaF 8.515e-10 8.526e-10 -9.070 -9.069 0.001 6.45 NaHPO4- 5.564e-10 5.158e-10 -9.255 -9.288 -0.033 34.23 - NaOH 1.276e-21 1.278e-21 -20.894 -20.893 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.706 -46.705 0.001 28.75 P 2.787e-06 @@ -12515,7 +12469,7 @@ Initial solution 47. Specific Conductance (µS/cm, 10°C) = 62 Density (g/cm³) = 0.99971 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.28836 + Viscosity (mPa s) = 1.28868 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.155e-03 Mass of water (kg) = 1.000e+00 @@ -12664,7 +12618,6 @@ Na 1.148e-04 NaHCO3 3.949e-08 3.951e-08 -7.403 -7.403 0.000 31.85 NaF 1.552e-10 1.552e-10 -9.809 -9.809 0.000 6.58 NaHPO4- 1.092e-10 1.053e-10 -9.962 -9.978 -0.016 33.90 - NaOH 1.704e-22 1.704e-22 -21.769 -21.769 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.331 -48.331 0.000 29.01 P 2.401e-06 @@ -12783,7 +12736,7 @@ Initial solution 48. Specific Conductance (µS/cm, 8°C) = 136 Density (g/cm³) = 1.00002 Volume (L) = 1.00018 - Viscosity (mPa s) = 1.40352 + Viscosity (mPa s) = 1.40364 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.807e-03 Mass of water (kg) = 1.000e+00 @@ -12928,7 +12881,6 @@ Na 4.873e-04 NaHCO3 4.012e-07 4.017e-07 -6.397 -6.396 0.001 31.87 NaHPO4- 3.339e-08 3.159e-08 -7.476 -7.500 -0.024 34.09 NaF 3.850e-09 3.852e-09 -8.415 -8.414 0.000 6.40 - NaOH 6.414e-21 6.418e-21 -20.193 -20.193 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.124 -45.123 0.000 28.65 P 6.363e-05 @@ -13050,7 +13002,7 @@ Initial solution 49. Specific Conductance (µS/cm, 7°C) = 127 Density (g/cm³) = 1.00000 Volume (L) = 1.00014 - Viscosity (mPa s) = 1.42432 + Viscosity (mPa s) = 1.42446 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.482e-03 Mass of water (kg) = 1.000e+00 @@ -13203,7 +13155,6 @@ Na 3.419e-04 NaHCO3 1.671e-07 1.673e-07 -6.777 -6.777 0.000 31.88 NaHPO4- 6.980e-09 6.625e-09 -8.156 -8.179 -0.023 34.08 NaF 7.975e-10 7.979e-10 -9.098 -9.098 0.000 6.37 - NaOH 1.884e-21 1.885e-21 -20.725 -20.725 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.751 -46.750 0.000 28.58 P 2.292e-05 @@ -13324,7 +13275,7 @@ Initial solution 50. Specific Conductance (µS/cm, 8°C) = 139 Density (g/cm³) = 0.99993 Volume (L) = 1.00023 - Viscosity (mPa s) = 1.36595 + Viscosity (mPa s) = 1.36616 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.587e-03 Mass of water (kg) = 1.000e+00 @@ -13469,7 +13420,6 @@ Na 3.941e-04 NaHCO3 1.959e-07 1.961e-07 -6.708 -6.708 0.001 31.87 NaHPO4- 5.559e-09 5.270e-09 -8.255 -8.278 -0.023 34.05 NaF 8.455e-10 8.460e-10 -9.073 -9.073 0.000 6.46 - NaOH 1.384e-21 1.385e-21 -20.859 -20.859 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.228 -47.228 0.000 28.76 P 2.006e-05 @@ -13590,7 +13540,7 @@ Initial solution 51. Specific Conductance (µS/cm, 8°C) = 873 Density (g/cm³) = 1.00053 Volume (L) = 1.00037 - Viscosity (mPa s) = 1.38838 + Viscosity (mPa s) = 1.38874 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.637e-02 Mass of water (kg) = 1.000e+00 @@ -13735,7 +13685,6 @@ Na 3.840e-03 NaSO4- 2.847e-06 2.527e-06 -5.546 -5.597 -0.052 -17.38 NaHPO4- 2.789e-08 2.475e-08 -7.555 -7.606 -0.052 34.85 NaF 1.665e-08 1.671e-08 -7.779 -7.777 0.002 6.43 - NaOH 2.306e-20 2.314e-20 -19.637 -19.636 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.259 -46.257 0.002 28.71 P 1.315e-05 @@ -13852,10 +13801,10 @@ Initial solution 52. pH = 6.770 pe = 4.000 - Specific Conductance (µS/cm, 8°C) = 2992 + Specific Conductance (µS/cm, 8°C) = 2986 Density (g/cm³) = 1.00231 Volume (L) = 1.00110 - Viscosity (mPa s) = 1.40392 + Viscosity (mPa s) = 1.40769 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.618e-02 Mass of water (kg) = 1.000e+00 @@ -13996,7 +13945,6 @@ Na 1.985e-02 NaHPO4- 7.062e-07 5.833e-07 -6.151 -6.234 -0.083 37.06 NaSO4- 5.795e-07 4.791e-07 -6.237 -6.320 -0.083 -11.89 NaF 7.604e-08 7.703e-08 -7.119 -7.113 0.006 6.43 - NaOH 2.337e-20 2.367e-20 -19.631 -19.626 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.944 -48.938 0.006 28.71 P 1.665e-04 @@ -14113,10 +14061,10 @@ Initial solution 53. pH = 6.820 pe = 4.000 - Specific Conductance (µS/cm, 12°C) = 1114 + Specific Conductance (µS/cm, 12°C) = 1112 Density (g/cm³) = 1.00069 Volume (L) = 1.00100 - Viscosity (mPa s) = 1.24804 + Viscosity (mPa s) = 1.25338 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.174e-02 Mass of water (kg) = 1.000e+00 @@ -14257,7 +14205,6 @@ Na 5.837e-03 NaHPO4- 6.167e-07 5.390e-07 -6.210 -6.268 -0.058 35.12 NaSO4- 1.958e-07 1.712e-07 -6.708 -6.766 -0.058 -15.15 NaF 2.872e-08 2.886e-08 -7.542 -7.540 0.002 6.66 - NaOH 1.155e-20 1.161e-20 -19.937 -19.935 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.343 -47.341 0.002 29.17 P 3.928e-04 @@ -14373,10 +14320,10 @@ Initial solution 54. pH = 6.950 pe = 4.000 - Specific Conductance (µS/cm, 12°C) = 1544 + Specific Conductance (µS/cm, 12°C) = 1541 Density (g/cm³) = 1.00095 Volume (L) = 1.00102 - Viscosity (mPa s) = 1.25783 + Viscosity (mPa s) = 1.26144 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.795e-02 Mass of water (kg) = 1.000e+00 @@ -14504,7 +14451,6 @@ Na 1.094e-02 NaHCO3 6.824e-05 6.913e-05 -4.166 -4.160 0.006 31.84 NaHPO4- 1.120e-06 9.656e-07 -5.951 -6.015 -0.064 35.50 NaF 3.322e-08 3.344e-08 -7.479 -7.476 0.003 6.65 - NaOH 2.823e-20 2.841e-20 -19.549 -19.547 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.896 -46.894 0.003 29.15 P 3.296e-04 @@ -14595,10 +14541,10 @@ Initial solution 55. pH = 6.840 pe = 4.000 - Specific Conductance (µS/cm, 12°C) = 2667 + Specific Conductance (µS/cm, 12°C) = 2662 Density (g/cm³) = 1.00162 Volume (L) = 1.00130 - Viscosity (mPa s) = 1.26038 + Viscosity (mPa s) = 1.26367 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.534e-02 Mass of water (kg) = 1.000e+00 @@ -14739,7 +14685,6 @@ Na 1.766e-02 NaSO4- 8.860e-06 7.422e-06 -5.053 -5.129 -0.077 -11.92 NaHPO4- 1.095e-06 9.163e-07 -5.961 -6.038 -0.077 36.52 NaF 5.130e-08 5.184e-08 -7.290 -7.285 0.005 6.66 - NaOH 3.445e-20 3.482e-20 -19.463 -19.458 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.302 -47.298 0.005 29.16 P 2.566e-04 @@ -14855,10 +14800,10 @@ Initial solution 56. pH = 6.860 pe = 4.000 - Specific Conductance (µS/cm, 12°C) = 2988 + Specific Conductance (µS/cm, 12°C) = 2983 Density (g/cm³) = 1.00182 Volume (L) = 1.00141 - Viscosity (mPa s) = 1.26545 + Viscosity (mPa s) = 1.26870 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.854e-02 Mass of water (kg) = 1.000e+00 @@ -14995,7 +14940,6 @@ Na 2.347e-02 NaSO4- 7.937e-06 6.620e-06 -5.100 -5.179 -0.079 -11.62 NaHPO4- 1.672e-06 1.394e-06 -5.777 -5.856 -0.079 36.71 NaF 1.083e-07 1.095e-07 -6.965 -6.960 0.005 6.65 - NaOH 4.725e-20 4.778e-20 -19.326 -19.321 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.259 -47.254 0.005 29.15 P 2.675e-04 @@ -15113,7 +15057,7 @@ Initial solution 57. Specific Conductance (µS/cm, 11°C) = 102 Density (g/cm³) = 0.99970 Volume (L) = 1.00042 - Viscosity (mPa s) = 1.27070 + Viscosity (mPa s) = 1.27083 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.078e-03 Mass of water (kg) = 1.000e+00 @@ -15254,7 +15198,6 @@ Na 7.917e-05 NaHCO3 4.574e-08 4.578e-08 -7.340 -7.339 0.000 31.85 NaHPO4- 2.134e-10 2.033e-10 -9.671 -9.692 -0.021 33.94 NaF 7.655e-11 7.659e-11 -10.116 -10.116 0.000 6.61 - NaOH 8.190e-22 8.194e-22 -21.087 -21.086 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.828 -44.828 0.000 29.07 P 2.757e-06 @@ -15375,7 +15318,7 @@ Initial solution 58. Specific Conductance (µS/cm, 10°C) = 133 Density (g/cm³) = 0.99982 Volume (L) = 1.00033 - Viscosity (mPa s) = 1.30772 + Viscosity (mPa s) = 1.30781 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.690e-03 Mass of water (kg) = 1.000e+00 @@ -15520,7 +15463,6 @@ Na 9.136e-05 NaHCO3 6.886e-08 6.895e-08 -7.162 -7.161 0.001 31.86 NaHPO4- 2.004e-10 1.898e-10 -9.698 -9.722 -0.024 34.01 NaF 7.659e-11 7.663e-11 -10.116 -10.116 0.000 6.55 - NaOH 1.715e-21 1.716e-21 -20.766 -20.765 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.994 -43.994 0.000 28.95 P 2.035e-06 @@ -15640,7 +15582,7 @@ Initial solution 59. Specific Conductance (µS/cm, 9°C) = 163 Density (g/cm³) = 0.99993 Volume (L) = 1.00027 - Viscosity (mPa s) = 1.34283 + Viscosity (mPa s) = 1.34312 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.398e-03 Mass of water (kg) = 1.000e+00 @@ -15781,7 +15723,6 @@ Na 1.988e-04 NaHCO3 1.727e-07 1.730e-07 -6.763 -6.762 0.001 31.86 NaF 3.018e-10 3.020e-10 -9.520 -9.520 0.000 6.50 NaHPO4- 2.766e-10 2.603e-10 -9.558 -9.584 -0.026 34.08 - NaOH 1.132e-21 1.133e-21 -20.946 -20.946 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.246 -46.246 0.000 28.84 P 1.749e-06 @@ -15901,7 +15842,7 @@ Initial solution 60. Specific Conductance (µS/cm, 10°C) = 1433 Density (g/cm³) = 1.00083 Volume (L) = 1.00059 - Viscosity (mPa s) = 1.33648 + Viscosity (mPa s) = 1.33746 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.618e-02 Mass of water (kg) = 1.000e+00 @@ -16042,7 +15983,6 @@ Na 7.143e-03 NaSO4- 4.503e-06 3.901e-06 -5.346 -5.409 -0.062 -15.05 NaHPO4- 8.466e-09 7.329e-09 -8.072 -8.135 -0.063 35.40 NaF 4.488e-09 4.515e-09 -8.348 -8.345 0.003 6.52 - NaOH 2.210e-20 2.224e-20 -19.656 -19.653 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.061 -47.058 0.003 28.89 P 3.057e-06 diff --git a/mytest/densities_101.sel b/mytest/densities_101.sel index b389384b4..7318c1e0f 100644 --- a/mytest/densities_101.sel +++ b/mytest/densities_101.sel @@ -1,61 +1,61 @@ Mu SC - 0.030148970730 1513.2255827309 - 0.022434817323 1146.3450784376 - 0.032023902558 1782.7304273538 - 0.044002306870 2491.7674960743 - 0.057101998093 3310.5331443070 - 0.053340066237 2943.8387284127 - 0.029724348830 1315.1790086291 - 0.024330214881 1218.3915478488 - 0.033059185846 1816.5311522566 - 0.045160309104 2488.1744790683 - 0.057977536854 3363.0275097132 - 0.029096594108 1432.1332023517 - 0.023752050612 1219.5001102146 - 0.031993314293 1778.2200727320 - 0.044816741820 2575.8937870237 - 0.059162427034 3429.0783632517 - 0.022642910643 1179.3874890098 - 0.030199996842 1666.8962506263 - 0.044380449319 2648.6146411835 - 0.054848919186 3286.5210787878 - 0.001889877916 99.3404528599 - 0.022196423208 1176.3291132273 - 0.018466165158 1078.8560881370 - 0.010625346035 673.7521382314 - 0.038624807017 2382.4147991535 - 0.000344401543 40.0697415419 - 0.000838700275 45.2373772016 - 0.009575529235 518.8137261390 - 0.005255532625 311.4032176495 - 0.003287398881 195.0397907376 - 0.004275327753 262.8875374912 - 0.003518949925 187.0882256343 - 0.001777697540 98.8450968949 - 0.054436484382 2855.2794089397 - 0.000741108138 38.3042305529 - 0.002612134295 127.2535800848 - 0.001730654200 83.8377796172 - 0.002410234960 123.5031631716 - 0.002320533354 119.7663291945 - 0.021908098411 1111.6954932081 - 0.030188512447 1717.0195041336 - 0.046944424527 2727.0657904427 - 0.052254547345 3164.0341090374 - 0.002645452797 122.8284691288 - 0.000659139900 57.0298157336 - 0.005617762691 272.1028268616 - 0.001154611121 62.6918049384 - 0.002806690194 136.9980220363 - 0.002482329899 127.9263009260 - 0.002587453511 139.7265757724 - 0.016368123897 873.3780896323 - 0.056182861318 2992.3801904523 - 0.021738781739 1114.6816849920 - 0.027948895610 1544.1590137350 - 0.045339389795 2667.5959933043 - 0.048540884887 2988.3721525173 - 0.002077594526 102.5474349296 - 0.002690275177 133.2805024907 - 0.003398173289 163.3301681501 - 0.026178448003 1433.9531062369 + 0.030148970730 1512.1177612534 + 0.022434817323 1143.9589893131 + 0.032023902558 1779.8183247146 + 0.044002306870 2487.3591470574 + 0.057101998093 3305.6578874065 + 0.053340066237 2939.8675235992 + 0.029724348830 1311.8504304619 + 0.024330214881 1215.5893953731 + 0.033059185846 1813.3796453550 + 0.045160309104 2483.3418761978 + 0.057977536854 3358.1855009680 + 0.029096594108 1429.4069608179 + 0.023752050612 1217.4036940629 + 0.031993314293 1775.0172099805 + 0.044816741820 2572.0568970864 + 0.059162427034 3422.5507060786 + 0.022642910643 1176.7613598983 + 0.030199996842 1664.4760698300 + 0.044380449319 2644.2094635355 + 0.054848919186 3281.3721404773 + 0.001889877916 99.3349264025 + 0.022196423208 1174.5041589618 + 0.018466165158 1077.8283054561 + 0.010625346035 673.5910971983 + 0.038624807017 2379.6689692338 + 0.000344401543 39.8527277120 + 0.000838700275 45.2358311369 + 0.009575529235 518.5195500597 + 0.005255532625 311.3379644425 + 0.003287398881 195.0178972899 + 0.004275327753 262.8571910520 + 0.003518949925 187.0591638646 + 0.001777697540 98.8387014411 + 0.054436484382 2850.5980436107 + 0.000741108138 38.3006882071 + 0.002612134295 127.2475583552 + 0.001730654200 83.8340189122 + 0.002410234960 123.4969817524 + 0.002320533354 119.7614583225 + 0.021908098411 1109.3941595498 + 0.030188512447 1714.0136413366 + 0.046944424527 2721.7223301785 + 0.052254547345 3158.7216519831 + 0.002645452797 122.8232971233 + 0.000659139900 57.0025639952 + 0.005617762691 272.0235519200 + 0.001154611121 62.6838344746 + 0.002806690194 136.9922348038 + 0.002482329899 127.9194349346 + 0.002587453511 139.7157214410 + 0.016368123897 873.2240110062 + 0.056182861318 2986.6998137948 + 0.021738781739 1112.0157622103 + 0.027948895610 1541.4417122907 + 0.045339389795 2662.8800809576 + 0.048540884887 2983.2416534632 + 0.002077594526 102.5418907684 + 0.002690275177 133.2754272347 + 0.003398173289 163.3111166897 + 0.026178448003 1433.1880771522 diff --git a/mytest/desc.out b/mytest/desc.out index 1e8969071..e3a4913a5 100644 --- a/mytest/desc.out +++ b/mytest/desc.out @@ -62,7 +62,7 @@ Initial solution 1. A Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 0.99719 Volume (L) = 1.00292 - Viscosity (mPa s) = 0.89156 + Viscosity (mPa s) = 0.89162 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.991e-03 Mass of water (kg) = 1.000e+00 @@ -120,7 +120,7 @@ Initial solution 2. B Specific Conductance (µS/cm, 25°C) = 138 Density (g/cm³) = 0.99712 Volume (L) = 1.00294 - Viscosity (mPa s) = 0.89089 + Viscosity (mPa s) = 0.89092 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.495e-03 Mass of water (kg) = 1.000e+00 @@ -178,7 +178,7 @@ Initial solution 3. C Specific Conductance (µS/cm, 25°C) = 70 Density (g/cm³) = 0.99708 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89053 + Viscosity (mPa s) = 0.89055 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.248e-03 Mass of water (kg) = 1.000e+00 @@ -276,7 +276,7 @@ Calcite -4.38 -12.86 -8.48 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 269 Density (g/cm³) = 0.99719 Volume (L) = 1.00292 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89180 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.992e-03 Mass of water (kg) = 1.000e+00 @@ -377,7 +377,7 @@ Calcite -4.85 -13.33 -8.48 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 138 Density (g/cm³) = 0.99712 Volume (L) = 1.00294 - Viscosity (mPa s) = 0.89073 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.497e-03 Mass of water (kg) = 1.000e+00 @@ -478,7 +478,7 @@ Calcite -5.32 -13.80 -8.48 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 70 Density (g/cm³) = 0.99708 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89050 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.250e-03 Mass of water (kg) = 1.000e+00 @@ -709,7 +709,7 @@ Cell 2 8.0000e+00 2.4950e-03 Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 0.99719 Volume (L) = 1.00292 - Viscosity (mPa s) = 0.89156 + Viscosity (mPa s) = 0.89162 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.991e-03 Mass of water (kg) = 1.000e+00 @@ -770,7 +770,7 @@ Cell 3 7.0000e+00 1.2475e-03 Specific Conductance (µS/cm, 25°C) = 138 Density (g/cm³) = 0.99712 Volume (L) = 1.00294 - Viscosity (mPa s) = 0.89089 + Viscosity (mPa s) = 0.89092 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.495e-03 Mass of water (kg) = 1.000e+00 @@ -977,7 +977,7 @@ Cell 3 8.0000e+00 2.4950e-03 Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 0.99719 Volume (L) = 1.00292 - Viscosity (mPa s) = 0.89156 + Viscosity (mPa s) = 0.89162 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.991e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/desc_101.sel b/mytest/desc_101.sel index dd1dba5fe..58f02b5c9 100644 --- a/mytest/desc_101.sel +++ b/mytest/desc_101.sel @@ -1,18 +1,18 @@ Mu SC - 0.004990521876 270.3828007262 - 0.002495113452 138.4104685988 - 0.001248029258 70.6384370787 - 0.004992402115 269.7579502967 - 0.002497304615 138.5403004780 - 0.001249832673 70.9216646060 + 0.004990521876 270.3626904996 + 0.002495113452 138.4052797297 + 0.001248029258 70.6371019698 + 0.004992402115 269.5291293058 + 0.002497304615 138.4781931257 + 0.001249832673 70.9049578680 0.000000100661 0.0546997340 - 0.000002193889 0.8592933426 - 0.004990521876 270.3828007261 - 0.002495113452 138.4104685988 - 0.000002193889 0.8592933426 - 0.000002193889 0.8592933426 - 0.004990521876 270.3828007264 - 0.000002193889 0.8592933426 - 0.000002193889 0.8592933426 - 0.000002193889 0.8592933426 - 0.000002193889 0.8592933426 + 0.000002193889 0.8592862282 + 0.004990521876 270.3626904995 + 0.002495113452 138.4052797297 + 0.000002193889 0.8592862282 + 0.000002193889 0.8592862282 + 0.004990521876 270.3626904998 + 0.000002193889 0.8592862282 + 0.000002193889 0.8592862282 + 0.000002193889 0.8592862282 + 0.000002193889 0.8592862282 diff --git a/mytest/diel_101.sel b/mytest/diel_101.sel index fb62d431b..2256eda3a 100644 --- a/mytest/diel_101.sel +++ b/mytest/diel_101.sel @@ -1,10 +1,10 @@ Mu SC 0.000000100661 0.0546997340 0.000000033974 0.0114316168 - 0.000000100645 0.0546913855 - 0.000000310932 0.2452490263 - 0.000000760967 0.7554745205 - 0.000001540946 1.7399220314 - 0.000002215543 2.5502531506 - 0.000002438131 2.6514117225 - 0.000002311360 2.2146321035 + 0.000000100645 0.0546913856 + 0.000000310932 0.2452490254 + 0.000000760967 0.7554744939 + 0.000001540946 1.7399219576 + 0.000002215543 2.5502470551 + 0.000002438131 2.6514098548 + 0.000002311360 2.2146308979 diff --git a/mytest/diff_c.out b/mytest/diff_c.out index 95c0d2081..3cbc4faf9 100644 --- a/mytest/diff_c.out +++ b/mytest/diff_c.out @@ -84,11 +84,6 @@ H+ 9.3100e-09 C 2 O 4 charge 0 -NaOH 0 - H 1 - Na 1 - O 1 - charge 0 H2 5.1300e-09 H 2 charge 0 @@ -114,7 +109,7 @@ CH4 1.8500e-09 Specific Conductance (µS/cm, 25°C) = 83 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89053 + Viscosity (mPa s) = 0.89077 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.109e-04 Mass of water (kg) = 1.000e+00 @@ -148,7 +143,6 @@ H(0) 1.416e-25 Na 1.000e-03 Na+ 9.993e-04 9.660e-04 -3.000 -3.015 -0.015 -1.48 NaHCO3 6.673e-07 6.675e-07 -6.176 -6.176 0.000 31.73 - NaOH 9.775e-21 9.777e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/diff_c_101.sel b/mytest/diff_c_101.sel index ce19a3948..a9c11c756 100644 --- a/mytest/diff_c_101.sel +++ b/mytest/diff_c_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.000910892434 83.8315110549 + 0.000910892434 83.8222317372 diff --git a/mytest/dissolve_only.out b/mytest/dissolve_only.out index dc627cdb4..9563137b7 100644 --- a/mytest/dissolve_only.out +++ b/mytest/dissolve_only.out @@ -443,7 +443,7 @@ Dolomite 1.00 -16.08 -17.08 1.000e-01 9.987e-02 -1.335e-04 Specific Conductance (µS/cm, 25°C) = 67 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89066 + Viscosity (mPa s) = 0.89067 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.165e-04 Mass of water (kg) = 1.000e+00 @@ -605,7 +605,7 @@ Dolomite -1.00 -18.08 -17.08 1.000e-01 9.995e-02 -4.770e-05 Specific Conductance (µS/cm, 25°C) = 28 Density (g/cm³) = 0.99705 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89035 + Viscosity (mPa s) = 0.89036 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.999e-04 Mass of water (kg) = 1.000e+00 @@ -711,7 +711,7 @@ Dolomite 1.00 -16.08 -17.08 1.000e-01 1.000e-01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 67 Density (g/cm³) = 0.99707 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89066 + Viscosity (mPa s) = 0.89067 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.165e-04 Mass of water (kg) = 1.000e+00 @@ -833,10 +833,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e-01 7.095e-02 -2.905e-02 pH = 5.762 Charge balance pe = 12.468 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10827 + Specific Conductance (µS/cm, 25°C) = 10743 Density (g/cm³) = 1.00265 Volume (L) = 1.00636 - Viscosity (mPa s) = 0.92620 + Viscosity (mPa s) = 0.93499 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.704e-01 Mass of water (kg) = 1.001e+00 @@ -942,10 +942,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e-01 4.459e-02 -5.541e-02 pH = 5.487 Charge balance pe = 12.299 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 19368 + Specific Conductance (µS/cm, 25°C) = 19108 Density (g/cm³) = 1.00753 Volume (L) = 1.00993 - Viscosity (mPa s) = 0.94771 + Viscosity (mPa s) = 0.96325 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.236e-01 Mass of water (kg) = 1.002e+00 @@ -1051,10 +1051,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e-01 1.854e-02 -8.146e-02 pH = 5.322 Charge balance pe = 12.738 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27174 + Specific Conductance (µS/cm, 25°C) = 26670 Density (g/cm³) = 1.01227 Volume (L) = 1.01355 - Viscosity (mPa s) = 0.96706 + Viscosity (mPa s) = 0.98898 Activity of water = 0.990 Ionic strength (mol/kgw) = 4.745e-01 Mass of water (kg) = 1.002e+00 @@ -1160,10 +1160,10 @@ Dolomite -6.25 -23.34 -17.08 1.000e-01 0 -1.000e-01 pH = 3.626 Charge balance pe = 14.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 33919 + Specific Conductance (µS/cm, 25°C) = 33199 Density (g/cm³) = 1.01555 Volume (L) = 1.01724 - Viscosity (mPa s) = 0.96451 + Viscosity (mPa s) = 0.98904 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.984e-01 Mass of water (kg) = 1.004e+00 @@ -1269,10 +1269,10 @@ Dolomite -16.18 -33.26 -17.08 1.000e-01 0 -1.000e-01 pH = 1.144 Charge balance pe = 16.702 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 54057 + Specific Conductance (µS/cm, 25°C) = 52481 Density (g/cm³) = 1.01727 Volume (L) = 1.01909 - Viscosity (mPa s) = 0.96762 + Viscosity (mPa s) = 0.99089 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.939e-01 Mass of water (kg) = 1.004e+00 @@ -2150,7 +2150,7 @@ Dolomite 0.22 -16.86 -17.08 1.000e-05 1.000e-05 0.000e+00 Specific Conductance (µS/cm, 25°C) = 47 Density (g/cm³) = 0.99706 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89051 + Viscosity (mPa s) = 0.89052 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.472e-04 Mass of water (kg) = 1.000e+00 @@ -2273,10 +2273,10 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 5.259e-04 -1.741e-04 pH = 12.876 Charge balance pe = 5.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 21613 + Specific Conductance (µS/cm, 25°C) = 21614 Density (g/cm³) = 1.00156 Volume (L) = 1.00248 - Viscosity (mPa s) = 0.90860 + Viscosity (mPa s) = 0.90826 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.011e-01 Mass of water (kg) = 1.000e+00 @@ -2298,7 +2298,7 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 5.259e-04 -1.741e-04 H+ 1.612e-13 1.330e-13 -12.793 -12.876 -0.084 0.00 H2O 5.551e+01 9.966e-01 1.744 -0.001 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -132.686 -132.676 0.010 35.46 + CH4 0.000e+00 0.000e+00 -132.686 -132.675 0.010 35.46 C(4) 4.436e-04 CO3-2 4.285e-04 1.649e-04 -3.368 -3.783 -0.415 -2.78 CaCO3 1.354e-05 1.386e-05 -4.868 -4.858 0.010 -14.60 @@ -2315,7 +2315,7 @@ Ca 2.218e-04 CaCO3 1.354e-05 1.386e-05 -4.868 -4.858 0.010 -14.60 CaHCO3+ 1.135e-10 9.024e-11 -9.945 -10.045 -0.100 122.80 H(0) 1.222e-39 - H2 6.108e-40 6.252e-40 -39.214 -39.204 0.010 28.61 + H2 6.109e-40 6.253e-40 -39.214 -39.204 0.010 28.61 Mg 2.218e-04 MgOH+ 2.059e-04 1.649e-04 -3.686 -3.783 -0.097 (0) Mg+2 1.493e-05 6.058e-06 -4.826 -5.218 -0.392 -21.13 @@ -2324,9 +2324,8 @@ Mg 2.218e-04 Na 1.000e-01 Na+ 1.000e-01 7.844e-02 -1.000 -1.105 -0.105 -1.09 NaHCO3 3.048e-08 3.194e-08 -7.516 -7.496 0.020 31.73 - NaOH 5.813e-13 5.950e-13 -12.236 -12.225 0.010 (0) -O(0) 2.070e-14 - O2 1.035e-14 1.059e-14 -13.985 -13.975 0.010 30.40 +O(0) 2.069e-14 + O2 1.034e-14 1.059e-14 -13.985 -13.975 0.010 30.40 ------------------------------Saturation indices------------------------------- @@ -2384,18 +2383,18 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 4.295e-04 -2.705e-04 ----------------------------Description of solution---------------------------- pH = 13.147 Charge balance - pe = 4.935 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 41465 + pe = 4.930 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 41470 Density (g/cm³) = 1.00597 Volume (L) = 1.00208 - Viscosity (mPa s) = 0.92743 + Viscosity (mPa s) = 0.92661 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.016e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.013e-01 Total CO2 (mol/kg) = 6.365e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.218e-09 + Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.112124e+02 @@ -2410,7 +2409,7 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 4.295e-04 -2.705e-04 H+ 8.947e-14 7.133e-14 -13.048 -13.147 -0.098 0.00 H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -133.602 -133.582 0.020 35.46 + CH4 0.000e+00 0.000e+00 -133.566 -133.546 0.020 35.46 C(4) 6.365e-04 CO3-2 6.203e-04 1.917e-04 -3.207 -3.717 -0.510 -2.21 CaCO3 1.500e-05 1.571e-05 -4.824 -4.804 0.020 -14.60 @@ -2426,8 +2425,8 @@ Ca 3.182e-04 CaOH+ 1.511e-04 1.127e-04 -3.821 -3.948 -0.127 (0) CaCO3 1.500e-05 1.571e-05 -4.824 -4.804 0.020 -14.60 CaHCO3+ 7.260e-11 5.488e-11 -10.139 -10.261 -0.121 122.84 -H(0) 9.291e-40 - H2 4.645e-40 4.866e-40 -39.333 -39.313 0.020 28.61 +H(0) 9.486e-40 + H2 4.743e-40 4.969e-40 -39.324 -39.304 0.020 28.61 Mg 3.182e-04 MgOH+ 3.040e-04 2.323e-04 -3.517 -3.634 -0.117 (0) Mg+2 1.342e-05 4.595e-06 -4.872 -5.338 -0.465 -20.92 @@ -2436,9 +2435,8 @@ Mg 3.182e-04 Na 2.000e-01 Na+ 2.000e-01 1.495e-01 -0.699 -0.825 -0.126 -0.93 NaHCO3 3.460e-08 3.797e-08 -7.461 -7.421 0.040 31.73 - NaOH 2.011e-12 2.107e-12 -11.697 -11.676 0.020 (0) -O(0) 3.316e-14 - O2 1.658e-14 1.737e-14 -13.780 -13.760 0.020 30.40 +O(0) 3.180e-14 + O2 1.590e-14 1.666e-14 -13.799 -13.778 0.020 30.40 ------------------------------Saturation indices------------------------------- @@ -2446,12 +2444,12 @@ O(0) 3.316e-14 Aragonite 0.31 -8.03 -8.34 CaCO3 Calcite 0.45 -8.03 -8.48 CaCO3 - CH4(g) -130.78 -133.58 -2.80 CH4 + CH4(g) -130.74 -133.55 -2.80 CH4 CO2(g) -11.86 -13.33 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 - H2(g) -36.21 -39.31 -3.10 H2 + H2(g) -36.20 -39.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - O2(g) -10.87 -13.76 -2.89 O2 + O2(g) -10.89 -13.78 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2496,11 +2494,11 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 3.519e-04 -3.481e-04 ----------------------------Description of solution---------------------------- pH = 13.304 Charge balance - pe = 4.743 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 60383 + pe = 4.745 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 60394 Density (g/cm³) = 1.01032 Volume (L) = 1.00173 - Viscosity (mPa s) = 0.94702 + Viscosity (mPa s) = 0.94560 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.019e-01 Mass of water (kg) = 1.000e+00 @@ -2522,7 +2520,7 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 3.519e-04 -3.481e-04 H+ 6.354e-14 4.969e-14 -13.197 -13.304 -0.107 0.00 H2O 5.551e+01 9.898e-01 1.744 -0.004 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -133.605 -133.575 0.030 35.46 + CH4 0.000e+00 0.000e+00 -133.622 -133.592 0.030 35.46 C(4) 7.916e-04 CO3-2 7.748e-04 2.097e-04 -3.111 -3.678 -0.568 -1.77 CaCO3 1.567e-05 1.680e-05 -4.805 -4.775 0.030 -14.60 @@ -2538,8 +2536,8 @@ Ca 3.958e-04 Ca+2 1.651e-04 4.769e-05 -3.782 -4.322 -0.539 -17.06 CaCO3 1.567e-05 1.680e-05 -4.805 -4.775 0.030 -14.60 CaHCO3+ 5.571e-11 4.087e-11 -10.254 -10.389 -0.135 122.87 -H(0) 1.065e-39 - H2 5.326e-40 5.710e-40 -39.274 -39.243 0.030 28.61 +H(0) 1.055e-39 + H2 5.274e-40 5.654e-40 -39.278 -39.248 0.030 28.61 Mg 3.958e-04 MgOH+ 3.826e-04 2.843e-04 -3.417 -3.546 -0.129 (0) Mg+2 1.249e-05 3.931e-06 -4.903 -5.406 -0.502 -20.77 @@ -2548,9 +2546,8 @@ Mg 3.958e-04 Na 3.000e-01 Na+ 3.000e-01 2.190e-01 -0.523 -0.660 -0.137 -0.81 NaHCO3 3.688e-08 4.238e-08 -7.433 -7.373 0.060 31.73 - NaOH 4.119e-12 4.416e-12 -11.385 -11.355 0.030 (0) -O(0) 2.337e-14 - O2 1.169e-14 1.253e-14 -13.932 -13.902 0.030 30.40 +O(0) 2.384e-14 + O2 1.192e-14 1.278e-14 -13.924 -13.894 0.030 30.40 ------------------------------Saturation indices------------------------------- @@ -2558,12 +2555,12 @@ O(0) 2.337e-14 Aragonite 0.34 -8.00 -8.34 CaCO3 Calcite 0.48 -8.00 -8.48 CaCO3 - CH4(g) -130.77 -133.58 -2.80 CH4 + CH4(g) -130.79 -133.59 -2.80 CH4 CO2(g) -12.13 -13.60 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 - H2(g) -36.14 -39.24 -3.10 H2 + H2(g) -36.15 -39.25 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - O2(g) -11.01 -13.90 -2.89 O2 + O2(g) -11.00 -13.89 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2609,17 +2606,17 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 2.854e-04 -4.146e-04 pH = 13.415 Charge balance pe = 4.564 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 78625 + Specific Conductance (µS/cm, 25°C) = 78647 Density (g/cm³) = 1.01463 Volume (L) = 1.00144 - Viscosity (mPa s) = 0.96738 + Viscosity (mPa s) = 0.96525 Activity of water = 0.986 Ionic strength (mol/kgw) = 4.022e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.018e-01 Total CO2 (mol/kg) = 9.247e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.497e-09 + Electrical balance (eq) = -1.460e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.114124e+02 @@ -2634,7 +2631,7 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 2.854e-04 -4.146e-04 H+ 4.984e-14 3.847e-14 -13.302 -13.415 -0.113 0.00 H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -133.267 -133.227 0.040 35.46 + CH4 0.000e+00 0.000e+00 -133.265 -133.224 0.040 35.46 C(4) 9.247e-04 CO3-2 9.077e-04 2.234e-04 -3.042 -3.651 -0.609 -1.39 CaCO3 1.604e-05 1.760e-05 -4.795 -4.755 0.040 -14.60 @@ -2650,8 +2647,8 @@ Ca 4.623e-04 Ca+2 1.731e-04 4.689e-05 -3.762 -4.329 -0.567 -16.94 CaCO3 1.604e-05 1.760e-05 -4.795 -4.755 0.040 -14.60 CaHCO3+ 4.614e-11 3.314e-11 -10.336 -10.480 -0.144 122.89 -H(0) 1.420e-39 - H2 7.098e-40 7.786e-40 -39.149 -39.109 0.040 28.61 +H(0) 1.421e-39 + H2 7.107e-40 7.796e-40 -39.148 -39.108 0.040 28.61 Mg 4.623e-04 MgOH+ 4.499e-04 3.279e-04 -3.347 -3.484 -0.137 (0) Mg+2 1.173e-05 3.522e-06 -4.931 -5.453 -0.523 -20.66 @@ -2660,9 +2657,8 @@ Mg 4.623e-04 Na 4.000e-01 Na+ 4.000e-01 2.885e-01 -0.398 -0.540 -0.142 -0.71 NaHCO3 3.826e-08 4.605e-08 -7.417 -7.337 0.080 31.73 - NaOH 6.826e-12 7.489e-12 -11.166 -11.126 0.040 (0) -O(0) 1.220e-14 - O2 6.098e-15 6.690e-15 -14.215 -14.175 0.040 30.40 +O(0) 1.216e-14 + O2 6.082e-15 6.673e-15 -14.216 -14.176 0.040 30.40 ------------------------------Saturation indices------------------------------- @@ -2670,12 +2666,12 @@ O(0) 1.220e-14 Aragonite 0.36 -7.98 -8.34 CaCO3 Calcite 0.50 -7.98 -8.48 CaCO3 - CH4(g) -130.42 -133.23 -2.80 CH4 + CH4(g) -130.42 -133.22 -2.80 CH4 CO2(g) -12.33 -13.79 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 H2(g) -36.01 -39.11 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O - O2(g) -11.28 -14.17 -2.89 O2 + O2(g) -11.28 -14.18 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2721,19 +2717,19 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 2.264e-04 -4.736e-04 pH = 13.501 Charge balance pe = 4.514 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 96328 + Specific Conductance (µS/cm, 25°C) = 96363 Density (g/cm³) = 1.01888 Volume (L) = 1.00119 - Viscosity (mPa s) = 0.98851 + Viscosity (mPa s) = 0.98558 Activity of water = 0.983 Ionic strength (mol/kgw) = 5.024e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.021e-01 Total CO2 (mol/kg) = 1.043e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.233e-09 + Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 17 Total H = 1.115124e+02 Total O = 5.600934e+01 @@ -2746,7 +2742,7 @@ Dolomite 0.00 -17.08 -17.08 7.000e-04 2.264e-04 -4.736e-04 H+ 4.126e-14 3.153e-14 -13.384 -13.501 -0.117 0.00 H2O 5.551e+01 9.830e-01 1.744 -0.007 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -133.713 -133.663 0.050 35.46 + CH4 0.000e+00 0.000e+00 -133.715 -133.664 0.050 35.46 C(4) 1.043e-03 CO3-2 1.025e-03 2.346e-04 -2.989 -3.630 -0.641 -1.04 CaCO3 1.626e-05 1.825e-05 -4.789 -4.739 0.050 -14.60 @@ -2762,8 +2758,8 @@ Ca 5.213e-04 Ca+2 1.783e-04 4.632e-05 -3.749 -4.334 -0.585 -16.84 CaCO3 1.626e-05 1.825e-05 -4.789 -4.739 0.050 -14.60 CaHCO3+ 3.988e-11 2.818e-11 -10.399 -10.550 -0.151 122.90 -H(0) 1.174e-39 - H2 5.872e-40 6.592e-40 -39.231 -39.181 0.050 28.61 +H(0) 1.173e-39 + H2 5.867e-40 6.586e-40 -39.232 -39.181 0.050 28.61 Mg 5.213e-04 MgOH+ 5.096e-04 3.659e-04 -3.293 -3.437 -0.144 (0) Mg+2 1.105e-05 3.233e-06 -4.957 -5.490 -0.534 -20.56 @@ -2772,9 +2768,8 @@ Mg 5.213e-04 Na 5.000e-01 Na+ 5.000e-01 3.587e-01 -0.301 -0.445 -0.144 -0.63 NaHCO3 3.910e-08 4.928e-08 -7.408 -7.307 0.100 31.73 - NaOH 1.008e-11 1.132e-11 -10.996 -10.946 0.050 (0) -O(0) 1.651e-14 - O2 8.256e-15 9.269e-15 -14.083 -14.033 0.050 30.40 +O(0) 1.654e-14 + O2 8.271e-15 9.286e-15 -14.082 -14.032 0.050 30.40 ------------------------------Saturation indices------------------------------- diff --git a/mytest/dissolve_only_101.sel b/mytest/dissolve_only_101.sel index 567bde8af..9f623a884 100644 --- a/mytest/dissolve_only_101.sel +++ b/mytest/dissolve_only_101.sel @@ -1,28 +1,28 @@ Mu SC 0.000000100661 0.0546997340 - 0.000061335084 6.6833779214 + 0.000061335084 6.6833747305 0.000000100661 0.0546997340 - 0.000488657030 43.4434067299 + 0.000488657030 43.4432778374 0.000000100661 0.0546997340 - 0.000816508070 67.9529459515 + 0.000816508070 67.9526523536 0.000000100661 0.0546997340 - 0.000299887833 28.2992623695 - 0.000816508070 67.9529459515 - 0.170446675750 10827.0433980736 - 0.323640198861 19368.9507822851 - 0.474518501697 27174.2101680195 - 0.598426282400 33919.8837555566 - 0.693855286692 54057.0067211314 - 0.000393857159 35.9691807776 - 0.000424876732 38.4403838656 - 0.000455729859 40.8729338572 - 0.000486411110 43.2688735898 - 0.000488657030 43.4434067288 - 0.000488657030 43.4434067298 - 0.000516916678 45.6300437495 - 0.000547244062 47.9581139677 - 0.101144400701 21613.0868150207 - 0.201572047119 41465.6635677748 - 0.301905180401 60383.3155056630 - 0.402185345313 78625.3094083955 - 0.502429693102 96328.1537814198 + 0.000299887833 28.2992055239 + 0.000816508070 67.9526523536 + 0.170446675750 10743.1556459317 + 0.323640198861 19108.4979012519 + 0.474518501697 26670.4978342435 + 0.598426282400 33199.2011497969 + 0.693855286692 52481.7478550988 + 0.000393857159 35.9690906056 + 0.000424876732 38.4402815478 + 0.000455729859 40.8728189444 + 0.000486411110 43.2687456679 + 0.000488657030 43.4432778363 + 0.000488657030 43.4432778373 + 0.000516916678 45.6299024359 + 0.000547244062 47.9579589082 + 0.101144400702 21614.1611557241 + 0.201572047121 41470.4714716126 + 0.301905180405 60394.9656437964 + 0.402185345320 78647.1745105903 + 0.502429693110 96363.7583141299 diff --git a/mytest/dist_x.out b/mytest/dist_x.out index d280490be..45fbe0526 100644 --- a/mytest/dist_x.out +++ b/mytest/dist_x.out @@ -136,7 +136,7 @@ Initial solution 1. Initial solution for column Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -9.088e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -160,7 +160,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -319,7 +318,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -350,7 +349,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -400,7 +398,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -431,7 +429,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -481,7 +478,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -512,7 +509,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -562,7 +558,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -593,7 +589,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -643,7 +638,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -674,7 +669,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -724,7 +718,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -755,7 +749,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -805,7 +798,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -836,7 +829,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -886,7 +878,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -917,7 +909,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -967,7 +958,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -998,7 +989,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1048,7 +1038,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1079,7 +1069,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1129,7 +1118,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1160,7 +1149,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1210,7 +1198,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1241,7 +1229,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1291,7 +1278,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1322,7 +1309,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1372,7 +1358,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1403,7 +1389,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1453,7 +1438,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1484,7 +1469,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1534,7 +1518,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1565,7 +1549,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1615,7 +1598,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1646,7 +1629,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1696,7 +1678,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1727,7 +1709,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1777,7 +1758,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1808,7 +1789,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1858,7 +1838,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1889,7 +1869,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -1939,7 +1918,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1970,7 +1949,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2020,7 +1998,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2051,7 +2029,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2101,7 +2078,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2132,7 +2109,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2182,7 +2158,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2213,7 +2189,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2263,7 +2238,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2294,7 +2269,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2344,7 +2318,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2375,7 +2349,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2425,7 +2398,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2456,7 +2429,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2506,7 +2478,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2537,7 +2509,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2587,7 +2558,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2618,7 +2589,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2668,7 +2638,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2699,7 +2669,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2749,7 +2718,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2780,7 +2749,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2830,7 +2798,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2861,7 +2829,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2911,7 +2878,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -2942,7 +2909,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -2992,7 +2958,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3023,7 +2989,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3073,7 +3038,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3104,7 +3069,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3154,7 +3118,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3185,7 +3149,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3235,7 +3198,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3266,7 +3229,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3316,7 +3278,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3347,7 +3309,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3397,7 +3358,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3428,7 +3389,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3478,7 +3438,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3509,7 +3469,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3547,7 +3506,7 @@ Using solution 41. Initial solution for column Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3578,7 +3537,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3709,9 +3667,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.243e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.925e-19 + Total alkalinity (eq/kg) = -5.226e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.714e-16 + Electrical balance (eq) = -1.718e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -3746,7 +3704,6 @@ N(5) 6.221e-04 NO3- 6.221e-04 5.977e-04 -3.206 -3.224 -0.017 29.49 Na 8.040e-04 Na+ 8.040e-04 7.730e-04 -3.095 -3.112 -0.017 -1.47 - NaOH 7.764e-21 7.766e-21 -20.110 -20.110 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3807,9 +3764,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.002e-18 + Total alkalinity (eq/kg) = -7.832e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.232e-16 + Electrical balance (eq) = -2.234e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -3844,7 +3801,6 @@ N(5) 8.065e-04 NO3- 8.065e-04 7.754e-04 -3.093 -3.110 -0.017 29.49 Na 9.178e-04 Na+ 9.178e-04 8.830e-04 -3.037 -3.054 -0.017 -1.47 - NaOH 8.872e-21 8.874e-21 -20.052 -20.052 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -3905,7 +3861,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.000e-19 + Total alkalinity (eq/kg) = -7.972e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -2.843e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -3942,7 +3898,6 @@ N(5) 1.024e-03 NO3- 1.024e-03 9.845e-04 -2.990 -3.007 -0.017 29.49 Na 9.846e-04 Na+ 9.846e-04 9.473e-04 -3.007 -3.024 -0.017 -1.47 - NaOH 9.517e-21 9.520e-21 -20.021 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4003,7 +3958,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.943e-19 + Total alkalinity (eq/kg) = -1.004e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.253e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4040,7 +3995,6 @@ N(5) 1.153e-03 NO3- 1.153e-03 1.109e-03 -2.938 -2.955 -0.017 29.49 Na 9.988e-04 Na+ 9.988e-04 9.609e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.654e-21 9.656e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4101,7 +4055,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.762e-19 + Total alkalinity (eq/kg) = -9.859e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.388e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4138,7 +4092,6 @@ N(5) 1.194e-03 NO3- 1.194e-03 1.148e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4196,7 +4149,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4227,7 +4180,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4283,7 +4235,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4314,7 +4266,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4370,7 +4321,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4401,7 +4352,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4457,7 +4407,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4488,7 +4438,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4544,7 +4493,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4575,7 +4524,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4631,7 +4579,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4662,7 +4610,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4718,7 +4665,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4749,7 +4696,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4805,7 +4751,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4836,7 +4782,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4892,7 +4837,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -4923,7 +4868,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -4979,7 +4923,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5010,7 +4954,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5066,7 +5009,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5097,7 +5040,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5153,7 +5095,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5184,7 +5126,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5240,7 +5181,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5271,7 +5212,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5327,7 +5267,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5358,7 +5298,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5414,7 +5353,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5445,7 +5384,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5501,7 +5439,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5532,7 +5470,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5588,7 +5525,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5619,7 +5556,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5675,7 +5611,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5706,7 +5642,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5762,7 +5697,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5793,7 +5728,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5849,7 +5783,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5880,7 +5814,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -5936,7 +5869,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -5967,7 +5900,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6023,7 +5955,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6054,7 +5986,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6110,7 +6041,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6141,7 +6072,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6197,7 +6127,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6228,7 +6158,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6284,7 +6213,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6315,7 +6244,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6371,7 +6299,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6402,7 +6330,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6458,7 +6385,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6489,7 +6416,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6545,7 +6471,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6576,7 +6502,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6632,7 +6557,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6663,7 +6588,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6719,7 +6643,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6750,7 +6674,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6806,7 +6729,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6837,7 +6760,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6893,7 +6815,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -6924,7 +6846,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -6980,7 +6901,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7011,7 +6932,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7067,7 +6987,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7098,7 +7018,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7154,7 +7073,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7185,7 +7104,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7223,7 +7141,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -7254,7 +7172,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7381,9 +7298,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.382e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.950e-19 + Total alkalinity (eq/kg) = -8.205e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.280e-17 + Electrical balance (eq) = -8.199e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -7418,7 +7335,6 @@ N(5) 3.678e-04 NO3- 3.678e-04 3.526e-04 -3.434 -3.453 -0.018 29.49 Na 5.580e-04 Na+ 5.580e-04 5.354e-04 -3.253 -3.271 -0.018 -1.47 - NaOH 5.372e-21 5.373e-21 -20.270 -20.270 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7479,9 +7395,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.234e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.943e-19 + Total alkalinity (eq/kg) = -8.564e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.150e-16 + Electrical balance (eq) = -1.146e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -7516,7 +7432,6 @@ N(5) 5.248e-04 NO3- 5.248e-04 5.043e-04 -3.280 -3.297 -0.017 29.49 Na 7.474e-04 Na+ 7.474e-04 7.187e-04 -3.126 -3.143 -0.017 -1.47 - NaOH 7.219e-21 7.221e-21 -20.142 -20.141 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7577,9 +7492,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.529e-19 + Total alkalinity (eq/kg) = -4.152e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.863e-16 + Electrical balance (eq) = -1.856e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -7614,7 +7529,6 @@ N(5) 7.486e-04 NO3- 7.486e-04 7.197e-04 -3.126 -3.143 -0.017 29.49 Na 9.150e-04 Na+ 9.150e-04 8.803e-04 -3.039 -3.055 -0.017 -1.47 - NaOH 8.845e-21 8.847e-21 -20.053 -20.053 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7675,9 +7589,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.863e-20 + Total alkalinity (eq/kg) = -5.234e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.569e-16 + Electrical balance (eq) = -2.573e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -7712,7 +7626,6 @@ N(5) 9.458e-04 NO3- 9.458e-04 9.093e-04 -3.024 -3.041 -0.017 29.49 Na 9.793e-04 Na+ 9.793e-04 9.422e-04 -3.009 -3.026 -0.017 -1.47 - NaOH 9.466e-21 9.468e-21 -20.024 -20.024 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7773,9 +7686,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.111e-19 + Total alkalinity (eq/kg) = -7.242e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.079e-16 + Electrical balance (eq) = -3.080e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -7810,7 +7723,6 @@ N(5) 1.079e-03 NO3- 1.079e-03 1.037e-03 -2.967 -2.984 -0.017 29.49 Na 9.962e-04 Na+ 9.962e-04 9.584e-04 -3.002 -3.018 -0.017 -1.47 - NaOH 9.629e-21 9.631e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7871,9 +7783,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.696e-19 + Total alkalinity (eq/kg) = -4.446e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.409e-16 + Electrical balance (eq) = -3.405e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -7908,7 +7820,6 @@ N(5) 1.152e-03 NO3- 1.152e-03 1.108e-03 -2.938 -2.956 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -7969,9 +7880,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.273e-19 + Total alkalinity (eq/kg) = -1.426e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.492e-16 + Electrical balance (eq) = -3.485e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -8006,7 +7917,6 @@ N(5) 1.186e-03 NO3- 1.186e-03 1.140e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8067,7 +7977,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.694e-19 + Total alkalinity (eq/kg) = -8.722e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.459e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8104,7 +8014,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8163,7 +8072,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.682e-19 + Total alkalinity (eq/kg) = -8.911e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.431e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8197,7 +8106,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8256,7 +8164,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.094e-18 + Total alkalinity (eq/kg) = -1.104e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.413e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8290,7 +8198,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8348,7 +8255,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8379,7 +8286,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8435,7 +8341,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8466,7 +8372,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8522,7 +8427,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8553,7 +8458,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8609,7 +8513,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8640,7 +8544,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8696,7 +8599,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8727,7 +8630,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8783,7 +8685,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8814,7 +8716,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8870,7 +8771,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8901,7 +8802,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -8957,7 +8857,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -8988,7 +8888,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9044,7 +8943,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9075,7 +8974,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9131,7 +9029,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9162,7 +9060,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9218,7 +9115,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9249,7 +9146,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9305,7 +9201,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9336,7 +9232,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9392,7 +9287,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9423,7 +9318,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9479,7 +9373,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9510,7 +9404,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9566,7 +9459,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9597,7 +9490,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9653,7 +9545,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9684,7 +9576,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9740,7 +9631,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9771,7 +9662,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9827,7 +9717,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9858,7 +9748,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -9914,7 +9803,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -9945,7 +9834,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10001,7 +9889,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10032,7 +9920,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10088,7 +9975,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10119,7 +10006,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10175,7 +10061,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10206,7 +10092,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10262,7 +10147,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10293,7 +10178,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10349,7 +10233,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10380,7 +10264,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10436,7 +10319,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10467,7 +10350,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10523,7 +10405,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10554,7 +10436,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10610,7 +10491,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10641,7 +10522,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10697,7 +10577,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10728,7 +10608,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10784,7 +10663,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10815,7 +10694,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10871,7 +10749,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10902,7 +10780,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -10940,7 +10817,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -10971,7 +10848,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11098,9 +10974,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.516e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.920e-19 + Total alkalinity (eq/kg) = -5.320e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.261e-17 + Electrical balance (eq) = -4.192e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -11135,7 +11011,6 @@ N(5) 2.313e-04 NO3- 2.313e-04 2.214e-04 -3.636 -3.655 -0.019 29.50 Na 3.695e-04 Na+ 3.695e-04 3.539e-04 -3.432 -3.451 -0.019 -1.47 - NaOH 3.547e-21 3.548e-21 -20.450 -20.450 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11196,9 +11071,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.392e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.456e-19 + Total alkalinity (eq/kg) = -4.230e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.619e-17 + Electrical balance (eq) = -4.399e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -11233,7 +11108,6 @@ N(5) 3.478e-04 NO3- 3.478e-04 3.334e-04 -3.459 -3.477 -0.018 29.49 Na 5.423e-04 Na+ 5.423e-04 5.203e-04 -3.266 -3.284 -0.018 -1.47 - NaOH 5.219e-21 5.221e-21 -20.282 -20.282 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11294,9 +11168,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.202e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.460e-19 + Total alkalinity (eq/kg) = -7.723e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.656e-17 + Electrical balance (eq) = -9.649e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -11331,7 +11205,6 @@ N(5) 5.308e-04 NO3- 5.308e-04 5.103e-04 -3.275 -3.292 -0.017 29.49 Na 8.001e-04 Na+ 8.001e-04 7.697e-04 -3.097 -3.114 -0.017 -1.47 - NaOH 7.734e-21 7.736e-21 -20.112 -20.111 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11392,9 +11265,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.773e-19 + Total alkalinity (eq/kg) = 2.101e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.485e-16 + Electrical balance (eq) = -1.480e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -11429,7 +11302,6 @@ N(5) 7.238e-04 NO3- 7.238e-04 6.959e-04 -3.140 -3.157 -0.017 29.49 Na 9.213e-04 Na+ 9.213e-04 8.864e-04 -3.036 -3.052 -0.017 -1.47 - NaOH 8.906e-21 8.908e-21 -20.050 -20.050 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11490,9 +11362,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.690e-19 + Total alkalinity (eq/kg) = 9.742e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.756e-16 + Electrical balance (eq) = -1.761e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -11527,7 +11399,6 @@ N(5) 8.929e-04 NO3- 8.929e-04 8.585e-04 -3.049 -3.066 -0.017 29.49 Na 9.765e-04 Na+ 9.765e-04 9.395e-04 -3.010 -3.027 -0.017 -1.47 - NaOH 9.439e-21 9.441e-21 -20.025 -20.025 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11588,9 +11459,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.166e-19 + Total alkalinity (eq/kg) = 3.280e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.141e-16 + Electrical balance (eq) = -2.146e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -11625,7 +11496,6 @@ N(5) 1.023e-03 NO3- 1.023e-03 9.836e-04 -2.990 -3.007 -0.017 29.49 Na 9.945e-04 Na+ 9.945e-04 9.568e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.612e-21 9.615e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11686,9 +11556,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.617e-23 + Total alkalinity (eq/kg) = -4.546e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.624e-16 + Electrical balance (eq) = -2.620e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -11723,7 +11593,6 @@ N(5) 1.110e-03 NO3- 1.110e-03 1.068e-03 -2.955 -2.972 -0.017 29.49 Na 9.989e-04 Na+ 9.989e-04 9.611e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.655e-21 9.658e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11784,9 +11653,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.092e-19 + Total alkalinity (eq/kg) = -3.107e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.989e-16 + Electrical balance (eq) = -3.990e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -11821,7 +11690,6 @@ N(5) 1.161e-03 NO3- 1.161e-03 1.116e-03 -2.935 -2.952 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11882,9 +11750,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.652e-19 + Total alkalinity (eq/kg) = -6.232e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.974e-16 + Electrical balance (eq) = -4.965e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -11919,7 +11787,6 @@ N(5) 1.185e-03 NO3- 1.185e-03 1.140e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -11978,9 +11845,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.227e-18 + Total alkalinity (eq/kg) = -1.105e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.379e-16 + Electrical balance (eq) = -4.371e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -12012,7 +11879,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.922 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12071,9 +11937,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.952e-19 + Total alkalinity (eq/kg) = -8.694e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.618e-16 + Electrical balance (eq) = -3.619e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -12105,7 +11971,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12164,9 +12029,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.313e-19 + Total alkalinity (eq/kg) = -6.439e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.525e-16 + Electrical balance (eq) = -3.528e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -12198,7 +12063,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12257,7 +12121,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.381e-19 + Total alkalinity (eq/kg) = -5.464e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.331e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12291,7 +12155,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12350,7 +12213,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.488e-19 + Total alkalinity (eq/kg) = -9.585e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.288e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12384,7 +12247,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12443,7 +12305,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.028e-18 + Total alkalinity (eq/kg) = -1.038e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.207e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12477,7 +12339,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12535,7 +12396,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12566,7 +12427,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12622,7 +12482,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12653,7 +12513,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12709,7 +12568,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12740,7 +12599,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12796,7 +12654,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12827,7 +12685,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12883,7 +12740,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -12914,7 +12771,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -12970,7 +12826,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13001,7 +12857,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13057,7 +12912,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13088,7 +12943,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13144,181 +12998,179 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 - Temperature (°C) = 25.00 - Electrical balance (eq) = -3.407e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 - Total H = 1.110124e+02 - Total O = 5.551035e+01 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - H+ 1.045e-07 1.007e-07 -6.981 -6.997 -0.016 0.00 - OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10 - H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61 -K 2.000e-04 - K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.01 -N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -62.853 -62.870 -0.017 17.90 - NH3 0.000e+00 0.000e+00 -65.117 -65.117 0.000 24.42 -N(0) 1.748e-19 - N2 8.738e-20 8.740e-20 -19.059 -19.058 0.000 29.29 -N(3) 2.485e-16 - NO2- 2.485e-16 2.390e-16 -15.605 -15.622 -0.017 24.97 -N(5) 1.200e-03 - NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 -Na 1.000e-03 - Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) -O(0) 5.351e-04 - O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - H2(g) -41.30 -44.40 -3.10 H2 - H2O(g) -1.50 -0.00 1.50 H2O - N2(g) -15.88 -19.06 -3.18 N2 - NH3(g) -66.91 -65.12 1.80 NH3 - O2(g) -0.68 -3.57 -2.89 O2 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Using mix 24. -Using exchange 24. Exchange assemblage after simulation 2. - -Mixture 24. - - 2.625e-01 Solution 23 Solution after simulation 2. - 4.750e-01 Solution 24 Solution after simulation 2. - 2.625e-01 Solution 25 Solution after simulation 2. - ------------------------------Exchange composition------------------------------ - -X 1.100e-03 mol - - Equiv- Equivalent Log - Species Moles alents Fraction Gamma - - KX 5.507e-04 5.507e-04 5.006e-01 -0.017 - NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 - NH4X 3.070e-63 3.070e-63 2.791e-60 -0.017 - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - K 2.000e-04 2.000e-04 - N 1.200e-03 1.200e-03 - Na 1.000e-03 1.000e-03 - -----------------------------Description of solution---------------------------- - - pH = 6.997 Charge balance - pe = 13.630 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 145 - Density (g/cm³) = 0.99711 - Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89020 - Activity of water = 1.000 - Ionic strength (mol/kgw) = 1.200e-03 - Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 - Temperature (°C) = 25.00 - Electrical balance (eq) = -3.407e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 - Total H = 1.110124e+02 - Total O = 5.551035e+01 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - H+ 1.045e-07 1.007e-07 -6.981 -6.997 -0.016 0.00 - OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10 - H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61 -K 2.000e-04 - K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.01 -N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -62.853 -62.870 -0.017 17.90 - NH3 0.000e+00 0.000e+00 -65.117 -65.117 0.000 24.42 -N(0) 1.748e-19 - N2 8.738e-20 8.740e-20 -19.059 -19.058 0.000 29.29 -N(3) 2.485e-16 - NO2- 2.485e-16 2.390e-16 -15.605 -15.622 -0.017 24.97 -N(5) 1.200e-03 - NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 -Na 1.000e-03 - Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) -O(0) 5.351e-04 - O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - H2(g) -41.30 -44.40 -3.10 H2 - H2O(g) -1.50 -0.00 1.50 H2O - N2(g) -15.88 -19.06 -3.18 N2 - NH3(g) -66.91 -65.12 1.80 NH3 - O2(g) -0.68 -3.57 -2.89 O2 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Using mix 25. -Using exchange 25. Exchange assemblage after simulation 2. - -Mixture 25. - - 2.625e-01 Solution 24 Solution after simulation 2. - 4.750e-01 Solution 25 Solution after simulation 2. - 2.625e-01 Solution 26 Solution after simulation 2. - ------------------------------Exchange composition------------------------------ - -X 1.100e-03 mol - - Equiv- Equivalent Log - Species Moles alents Fraction Gamma - - KX 5.507e-04 5.507e-04 5.006e-01 -0.017 - NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 - NH4X 3.070e-63 3.070e-63 2.791e-60 -0.017 - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - K 2.000e-04 2.000e-04 - N 1.200e-03 1.200e-03 - Na 1.000e-03 1.000e-03 - -----------------------------Description of solution---------------------------- - - pH = 6.997 Charge balance - pe = 13.630 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 145 - Density (g/cm³) = 0.99711 - Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89020 - Activity of water = 1.000 - Ionic strength (mol/kgw) = 1.200e-03 - Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 + Temperature (°C) = 25.00 + Electrical balance (eq) = -3.407e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+02 + Total O = 5.551035e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.045e-07 1.007e-07 -6.981 -6.997 -0.016 0.00 + OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61 +K 2.000e-04 + K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.01 +N(-3) 0.000e+00 + NH4+ 0.000e+00 0.000e+00 -62.853 -62.870 -0.017 17.90 + NH3 0.000e+00 0.000e+00 -65.117 -65.117 0.000 24.42 +N(0) 1.748e-19 + N2 8.738e-20 8.740e-20 -19.059 -19.058 0.000 29.29 +N(3) 2.485e-16 + NO2- 2.485e-16 2.390e-16 -15.605 -15.622 -0.017 24.97 +N(5) 1.200e-03 + NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 +Na 1.000e-03 + Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 +O(0) 5.351e-04 + O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -41.30 -44.40 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + N2(g) -15.88 -19.06 -3.18 N2 + NH3(g) -66.91 -65.12 1.80 NH3 + O2(g) -0.68 -3.57 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 24. +Using exchange 24. Exchange assemblage after simulation 2. + +Mixture 24. + + 2.625e-01 Solution 23 Solution after simulation 2. + 4.750e-01 Solution 24 Solution after simulation 2. + 2.625e-01 Solution 25 Solution after simulation 2. + +-----------------------------Exchange composition------------------------------ + +X 1.100e-03 mol + + Equiv- Equivalent Log + Species Moles alents Fraction Gamma + + KX 5.507e-04 5.507e-04 5.006e-01 -0.017 + NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 + NH4X 3.070e-63 3.070e-63 2.791e-60 -0.017 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + K 2.000e-04 2.000e-04 + N 1.200e-03 1.200e-03 + Na 1.000e-03 1.000e-03 + +----------------------------Description of solution---------------------------- + + pH = 6.997 Charge balance + pe = 13.630 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 145 + Density (g/cm³) = 0.99711 + Volume (L) = 1.00301 + Viscosity (mPa s) = 0.89020 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.200e-03 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.026e-18 + Temperature (°C) = 25.00 + Electrical balance (eq) = -3.407e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+02 + Total O = 5.551035e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.045e-07 1.007e-07 -6.981 -6.997 -0.016 0.00 + OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61 +K 2.000e-04 + K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.01 +N(-3) 0.000e+00 + NH4+ 0.000e+00 0.000e+00 -62.853 -62.870 -0.017 17.90 + NH3 0.000e+00 0.000e+00 -65.117 -65.117 0.000 24.42 +N(0) 1.748e-19 + N2 8.738e-20 8.740e-20 -19.059 -19.058 0.000 29.29 +N(3) 2.485e-16 + NO2- 2.485e-16 2.390e-16 -15.605 -15.622 -0.017 24.97 +N(5) 1.200e-03 + NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 +Na 1.000e-03 + Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 +O(0) 5.351e-04 + O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -41.30 -44.40 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + N2(g) -15.88 -19.06 -3.18 N2 + NH3(g) -66.91 -65.12 1.80 NH3 + O2(g) -0.68 -3.57 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 25. +Using exchange 25. Exchange assemblage after simulation 2. + +Mixture 25. + + 2.625e-01 Solution 24 Solution after simulation 2. + 4.750e-01 Solution 25 Solution after simulation 2. + 2.625e-01 Solution 26 Solution after simulation 2. + +-----------------------------Exchange composition------------------------------ + +X 1.100e-03 mol + + Equiv- Equivalent Log + Species Moles alents Fraction Gamma + + KX 5.507e-04 5.507e-04 5.006e-01 -0.017 + NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 + NH4X 3.070e-63 3.070e-63 2.791e-60 -0.017 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + K 2.000e-04 2.000e-04 + N 1.200e-03 1.200e-03 + Na 1.000e-03 1.000e-03 + +----------------------------Description of solution---------------------------- + + pH = 6.997 Charge balance + pe = 13.630 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 145 + Density (g/cm³) = 0.99711 + Volume (L) = 1.00301 + Viscosity (mPa s) = 0.89020 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.200e-03 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13349,7 +13201,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13405,7 +13256,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13436,7 +13287,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13492,7 +13342,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13523,7 +13373,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13579,7 +13428,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13610,7 +13459,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13666,7 +13514,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13697,7 +13545,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13753,7 +13600,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13784,7 +13631,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13840,7 +13686,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13871,7 +13717,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -13927,7 +13772,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -13958,7 +13803,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14014,7 +13858,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14045,7 +13889,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14101,7 +13944,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14132,7 +13975,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14188,7 +14030,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14219,7 +14061,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14275,7 +14116,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14306,7 +14147,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14362,7 +14202,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14393,7 +14233,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14449,7 +14288,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14480,7 +14319,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14536,7 +14374,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14567,7 +14405,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14623,7 +14460,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14654,7 +14491,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14692,7 +14528,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -14723,7 +14559,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14850,9 +14685,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.585e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.231e-19 + Total alkalinity (eq/kg) = -6.184e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.935e-16 + Electrical balance (eq) = 6.936e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -14887,7 +14722,6 @@ N(5) 1.511e-04 NO3- 1.511e-04 1.444e-04 -3.821 -3.840 -0.020 29.50 Na 2.625e-04 Na+ 2.625e-04 2.512e-04 -3.581 -3.600 -0.019 -1.47 - NaOH 2.516e-21 2.517e-21 -20.599 -20.599 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -14948,9 +14782,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.470e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.992e-19 + Total alkalinity (eq/kg) = -4.920e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.515e-16 + Electrical balance (eq) = 5.514e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -14985,7 +14819,6 @@ N(5) 2.348e-04 NO3- 2.348e-04 2.249e-04 -3.629 -3.648 -0.019 29.50 Na 4.052e-04 Na+ 4.052e-04 3.883e-04 -3.392 -3.411 -0.018 -1.47 - NaOH 3.893e-21 3.895e-21 -20.410 -20.410 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15046,9 +14879,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.314e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.091e-20 + Total alkalinity (eq/kg) = -4.811e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.887e-16 + Electrical balance (eq) = 2.896e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -15083,7 +14916,6 @@ N(5) 3.747e-04 NO3- 3.747e-04 3.597e-04 -3.426 -3.444 -0.018 29.49 Na 6.200e-04 Na+ 6.200e-04 5.955e-04 -3.208 -3.225 -0.018 -1.47 - NaOH 5.978e-21 5.980e-21 -20.223 -20.223 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15144,9 +14976,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.366e-19 + Total alkalinity (eq/kg) = -4.071e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.077e-17 + Electrical balance (eq) = 6.065e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -15181,7 +15013,6 @@ N(5) 5.389e-04 NO3- 5.389e-04 5.181e-04 -3.268 -3.286 -0.017 29.49 Na 8.274e-04 Na+ 8.274e-04 7.960e-04 -3.082 -3.099 -0.017 -1.47 - NaOH 7.998e-21 8.000e-21 -20.097 -20.097 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15242,9 +15073,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.831e-20 + Total alkalinity (eq/kg) = -1.358e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.002e-17 + Electrical balance (eq) = -6.136e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -15279,7 +15110,6 @@ N(5) 7.050e-04 NO3- 7.050e-04 6.778e-04 -3.152 -3.169 -0.017 29.49 Na 9.281e-04 Na+ 9.281e-04 8.930e-04 -3.032 -3.049 -0.017 -1.47 - NaOH 8.972e-21 8.974e-21 -20.047 -20.047 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15340,9 +15170,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.083e-19 + Total alkalinity (eq/kg) = -2.009e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.144e-16 + Electrical balance (eq) = -1.136e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -15377,7 +15207,6 @@ N(5) 8.570e-04 NO3- 8.570e-04 8.239e-04 -3.067 -3.084 -0.017 29.49 Na 9.764e-04 Na+ 9.764e-04 9.394e-04 -3.010 -3.027 -0.017 -1.47 - NaOH 9.438e-21 9.440e-21 -20.025 -20.025 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15438,9 +15267,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.552e-19 + Total alkalinity (eq/kg) = -1.879e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.801e-16 + Electrical balance (eq) = -1.794e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -15475,7 +15304,6 @@ N(5) 9.820e-04 NO3- 9.820e-04 9.441e-04 -3.008 -3.025 -0.017 29.49 Na 9.936e-04 Na+ 9.936e-04 9.559e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.604e-21 9.606e-21 -20.018 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15536,9 +15364,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.342e-19 + Total alkalinity (eq/kg) = -1.585e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.720e-16 + Electrical balance (eq) = -2.723e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -15573,7 +15401,6 @@ N(5) 1.074e-03 NO3- 1.074e-03 1.032e-03 -2.969 -2.986 -0.017 29.49 Na 9.985e-04 Na+ 9.985e-04 9.607e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.651e-21 9.654e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15634,7 +15461,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.323e-19 + Total alkalinity (eq/kg) = -5.270e-20 Temperature (°C) = 25.00 Electrical balance (eq) = -3.644e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -15671,7 +15498,6 @@ N(5) 1.134e-03 NO3- 1.134e-03 1.090e-03 -2.945 -2.963 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15730,7 +15556,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.427e-19 + Total alkalinity (eq/kg) = 1.385e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -4.460e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -15764,7 +15590,6 @@ N(5) 1.169e-03 NO3- 1.169e-03 1.124e-03 -2.932 -2.949 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15823,9 +15648,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.192e-19 + Total alkalinity (eq/kg) = -6.408e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.171e-16 + Electrical balance (eq) = -5.172e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -15857,7 +15682,6 @@ N(5) 1.187e-03 NO3- 1.187e-03 1.141e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -15916,9 +15740,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.458e-19 + Total alkalinity (eq/kg) = -1.694e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.308e-16 + Electrical balance (eq) = -5.303e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -15950,7 +15774,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16009,9 +15832,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.465e-19 + Total alkalinity (eq/kg) = -7.455e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.245e-16 + Electrical balance (eq) = -5.246e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -16043,7 +15866,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16102,7 +15924,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.436e-19 + Total alkalinity (eq/kg) = -5.464e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.639e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16136,7 +15958,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16195,7 +16016,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.334e-19 + Total alkalinity (eq/kg) = -6.302e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.316e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16229,7 +16050,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16288,9 +16108,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.560e-19 + Total alkalinity (eq/kg) = -6.152e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.225e-16 + Electrical balance (eq) = -3.235e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -16322,7 +16142,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16381,7 +16200,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.459e-19 + Total alkalinity (eq/kg) = -8.535e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.128e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16415,7 +16234,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16474,7 +16292,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.997e-19 + Total alkalinity (eq/kg) = -9.093e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.239e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16508,7 +16326,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16567,7 +16384,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.014e-18 + Total alkalinity (eq/kg) = -1.024e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.338e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16601,7 +16418,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16660,7 +16476,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.016e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.394e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16694,7 +16510,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16752,7 +16567,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16783,7 +16598,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16839,7 +16653,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16870,7 +16684,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -16926,7 +16739,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -16957,7 +16770,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17013,7 +16825,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17044,7 +16856,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17100,7 +16911,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17131,7 +16942,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17187,7 +16997,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17218,7 +17028,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17274,7 +17083,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17305,7 +17114,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17361,7 +17169,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17392,7 +17200,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17448,7 +17255,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17479,7 +17286,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17535,7 +17341,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17566,7 +17372,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17622,7 +17427,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17653,7 +17458,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17709,7 +17513,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17740,7 +17544,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17796,7 +17599,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17827,7 +17630,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17883,7 +17685,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -17914,7 +17716,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -17970,7 +17771,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -18001,7 +17802,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18057,7 +17857,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -18088,7 +17888,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18144,7 +17943,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -18175,7 +17974,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18231,7 +18029,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -18262,7 +18060,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18318,7 +18115,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -18349,7 +18146,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18405,7 +18201,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -18436,7 +18232,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18474,7 +18269,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -18505,7 +18300,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18632,9 +18426,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.648e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.694e-19 + Total alkalinity (eq/kg) = -5.145e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.133e-16 + Electrical balance (eq) = 9.140e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -18669,7 +18463,6 @@ N(5) 1.012e-04 NO3- 1.012e-04 9.665e-05 -3.995 -4.015 -0.020 29.50 Na 1.825e-04 Na+ 1.825e-04 1.745e-04 -3.739 -3.758 -0.019 -1.46 - NaOH 1.747e-21 1.748e-21 -20.758 -20.757 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18730,9 +18523,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.555e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.390e-21 + Total alkalinity (eq/kg) = -4.995e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.742e-16 + Electrical balance (eq) = 7.741e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -18767,7 +18560,6 @@ N(5) 1.611e-04 NO3- 1.611e-04 1.540e-04 -3.793 -3.812 -0.019 29.50 Na 2.950e-04 Na+ 2.950e-04 2.824e-04 -3.530 -3.549 -0.019 -1.47 - NaOH 2.829e-21 2.830e-21 -20.548 -20.548 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18828,9 +18620,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.397e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.791e-21 + Total alkalinity (eq/kg) = -6.395e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.494e-16 + Electrical balance (eq) = 7.489e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -18865,7 +18657,6 @@ N(5) 2.654e-04 NO3- 2.654e-04 2.544e-04 -3.576 -3.595 -0.018 29.49 Na 4.875e-04 Na+ 4.875e-04 4.677e-04 -3.312 -3.330 -0.018 -1.47 - NaOH 4.692e-21 4.694e-21 -20.329 -20.328 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -18926,9 +18717,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.212e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.247e-19 + Total alkalinity (eq/kg) = -7.478e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.844e-16 + Electrical balance (eq) = 3.846e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -18963,7 +18754,6 @@ N(5) 3.967e-04 NO3- 3.967e-04 3.814e-04 -3.401 -3.419 -0.017 29.49 Na 7.122e-04 Na+ 7.122e-04 6.851e-04 -3.147 -3.164 -0.017 -1.47 - NaOH 6.883e-21 6.885e-21 -20.162 -20.162 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19024,9 +18814,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.904e-19 + Total alkalinity (eq/kg) = -3.899e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.703e-16 + Electrical balance (eq) = 1.715e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -19061,7 +18851,6 @@ N(5) 5.428e-04 NO3- 5.428e-04 5.218e-04 -3.265 -3.282 -0.017 29.49 Na 8.502e-04 Na+ 8.502e-04 8.180e-04 -3.070 -3.087 -0.017 -1.47 - NaOH 8.219e-21 8.221e-21 -20.085 -20.085 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19122,9 +18911,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.229e-18 + Total alkalinity (eq/kg) = -4.463e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.439e-17 + Electrical balance (eq) = 3.491e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -19159,7 +18948,6 @@ N(5) 6.919e-04 NO3- 6.919e-04 6.652e-04 -3.160 -3.177 -0.017 29.49 Na 9.363e-04 Na+ 9.363e-04 9.008e-04 -3.029 -3.045 -0.017 -1.47 - NaOH 9.050e-21 9.053e-21 -20.043 -20.043 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19220,9 +19008,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.043e-18 + Total alkalinity (eq/kg) = 3.893e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.975e-17 + Electrical balance (eq) = -6.051e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -19257,7 +19045,6 @@ N(5) 8.313e-04 NO3- 8.313e-04 7.992e-04 -3.080 -3.097 -0.017 29.49 Na 9.776e-04 Na+ 9.776e-04 9.405e-04 -3.010 -3.027 -0.017 -1.47 - NaOH 9.449e-21 9.452e-21 -20.025 -20.024 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19318,9 +19105,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.495e-19 + Total alkalinity (eq/kg) = -6.287e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.530e-16 + Electrical balance (eq) = -1.529e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -19355,7 +19142,6 @@ N(5) 9.500e-04 NO3- 9.500e-04 9.134e-04 -3.022 -3.039 -0.017 29.49 Na 9.932e-04 Na+ 9.932e-04 9.556e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.601e-21 9.603e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19416,9 +19202,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.225e-18 + Total alkalinity (eq/kg) = 4.106e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.514e-16 + Electrical balance (eq) = -2.525e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -19453,7 +19239,6 @@ N(5) 1.042e-03 NO3- 1.042e-03 1.002e-03 -2.982 -2.999 -0.017 29.49 Na 9.982e-04 Na+ 9.982e-04 9.604e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.649e-21 9.651e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19514,9 +19299,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.215e-19 + Total alkalinity (eq/kg) = 7.154e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.442e-16 + Electrical balance (eq) = -3.456e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -19551,7 +19336,6 @@ N(5) 1.108e-03 NO3- 1.108e-03 1.065e-03 -2.955 -2.972 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19610,9 +19394,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.539e-19 + Total alkalinity (eq/kg) = 4.242e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.209e-16 + Electrical balance (eq) = -4.213e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -19644,7 +19428,6 @@ N(5) 1.151e-03 NO3- 1.151e-03 1.106e-03 -2.939 -2.956 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19703,7 +19486,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.527e-19 + Total alkalinity (eq/kg) = 1.417e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -4.744e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -19737,7 +19520,6 @@ N(5) 1.176e-03 NO3- 1.176e-03 1.130e-03 -2.930 -2.947 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19796,9 +19578,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.574e-19 + Total alkalinity (eq/kg) = -3.123e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.023e-16 + Electrical balance (eq) = -5.018e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -19830,7 +19612,6 @@ N(5) 1.189e-03 NO3- 1.189e-03 1.143e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19889,9 +19670,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.116e-19 + Total alkalinity (eq/kg) = -2.096e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.041e-16 + Electrical balance (eq) = -5.046e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -19923,7 +19704,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.149e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -19982,9 +19762,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.342e-19 + Total alkalinity (eq/kg) = -1.168e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.818e-16 + Electrical balance (eq) = -4.826e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -20016,7 +19796,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20075,9 +19854,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.567e-19 + Total alkalinity (eq/kg) = -9.579e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.380e-16 + Electrical balance (eq) = -4.385e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -20109,7 +19888,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20168,9 +19946,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.357e-19 + Total alkalinity (eq/kg) = -2.512e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.355e-16 + Electrical balance (eq) = -4.364e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -20202,7 +19980,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20261,9 +20038,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.229e-19 + Total alkalinity (eq/kg) = -5.253e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.304e-16 + Electrical balance (eq) = -3.326e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -20295,7 +20072,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20354,9 +20130,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.778e-19 + Total alkalinity (eq/kg) = -5.430e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.289e-16 + Electrical balance (eq) = -3.292e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -20388,7 +20164,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20447,9 +20222,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.563e-19 + Total alkalinity (eq/kg) = -1.094e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.324e-16 + Electrical balance (eq) = -3.328e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -20481,7 +20256,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20540,9 +20314,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.133e-18 + Total alkalinity (eq/kg) = -1.102e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.351e-16 + Electrical balance (eq) = -3.352e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -20574,7 +20348,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20633,7 +20406,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.389e-19 + Total alkalinity (eq/kg) = -7.486e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.406e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -20667,7 +20440,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20726,7 +20498,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.496e-19 + Total alkalinity (eq/kg) = -9.592e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.403e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -20760,7 +20532,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20819,7 +20590,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.016e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -20853,7 +20624,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -20912,7 +20682,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -20946,7 +20716,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21004,7 +20773,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21035,7 +20804,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21091,7 +20859,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21122,7 +20890,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21178,7 +20945,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21209,7 +20976,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21265,7 +21031,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21296,7 +21062,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21352,7 +21117,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21383,7 +21148,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21439,7 +21203,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21470,7 +21234,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21526,7 +21289,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21557,7 +21320,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21613,7 +21375,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21644,7 +21406,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21700,7 +21461,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21731,7 +21492,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21787,7 +21547,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21818,7 +21578,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21874,7 +21633,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21905,7 +21664,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -21961,7 +21719,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -21992,7 +21750,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22048,7 +21805,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -22079,7 +21836,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22135,7 +21891,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -22166,7 +21922,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22222,7 +21977,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -22253,7 +22008,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22291,7 +22045,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -22322,7 +22076,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22449,9 +22202,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.688e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.755e-19 + Total alkalinity (eq/kg) = -1.810e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.964e-16 + Electrical balance (eq) = 5.990e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -22486,7 +22239,6 @@ N(5) 6.906e-05 NO3- 6.906e-05 6.593e-05 -4.161 -4.181 -0.020 29.50 Na 1.299e-04 Na+ 1.299e-04 1.241e-04 -3.886 -3.906 -0.020 -1.46 - NaOH 1.243e-21 1.243e-21 -20.906 -20.905 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22547,9 +22299,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.615e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.372e-19 + Total alkalinity (eq/kg) = -2.577e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.984e-16 + Electrical balance (eq) = 5.990e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -22584,7 +22336,6 @@ N(5) 1.119e-04 NO3- 1.119e-04 1.069e-04 -3.951 -3.971 -0.020 29.50 Na 2.144e-04 Na+ 2.144e-04 2.050e-04 -3.669 -3.688 -0.019 -1.47 - NaOH 2.054e-21 2.054e-21 -20.688 -20.687 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22645,9 +22396,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.489e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.710e-19 + Total alkalinity (eq/kg) = 8.146e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.162e-16 + Electrical balance (eq) = 6.158e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -22682,7 +22433,6 @@ N(5) 1.888e-04 NO3- 1.888e-04 1.808e-04 -3.724 -3.743 -0.019 29.50 Na 3.647e-04 Na+ 3.647e-04 3.494e-04 -3.438 -3.457 -0.019 -1.47 - NaOH 3.503e-21 3.504e-21 -20.456 -20.455 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22743,9 +22493,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.343e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.507e-19 + Total alkalinity (eq/kg) = -1.442e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.149e-16 + Electrical balance (eq) = 6.153e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -22780,7 +22530,6 @@ N(5) 2.909e-04 NO3- 2.909e-04 2.790e-04 -3.536 -3.554 -0.018 29.49 Na 5.543e-04 Na+ 5.543e-04 5.321e-04 -3.256 -3.274 -0.018 -1.47 - NaOH 5.340e-21 5.342e-21 -20.272 -20.272 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22841,9 +22590,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.211e-19 + Total alkalinity (eq/kg) = -2.661e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.427e-16 + Electrical balance (eq) = 4.433e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -22878,7 +22627,6 @@ N(5) 4.121e-04 NO3- 4.121e-04 3.962e-04 -3.385 -3.402 -0.017 29.49 Na 7.556e-04 Na+ 7.556e-04 7.269e-04 -3.122 -3.139 -0.017 -1.47 - NaOH 7.304e-21 7.306e-21 -20.136 -20.136 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -22939,9 +22687,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.244e-18 + Total alkalinity (eq/kg) = -2.561e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.464e-16 + Electrical balance (eq) = 2.470e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -22976,7 +22724,6 @@ N(5) 5.458e-04 NO3- 5.458e-04 5.248e-04 -3.263 -3.280 -0.017 29.49 Na 8.712e-04 Na+ 8.712e-04 8.382e-04 -3.060 -3.077 -0.017 -1.47 - NaOH 8.422e-21 8.424e-21 -20.075 -20.074 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23037,9 +22784,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.539e-18 + Total alkalinity (eq/kg) = 8.265e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.185e-17 + Electrical balance (eq) = 9.105e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -23074,7 +22821,6 @@ N(5) 6.825e-04 NO3- 6.825e-04 6.562e-04 -3.166 -3.183 -0.017 29.49 Na 9.442e-04 Na+ 9.442e-04 9.084e-04 -3.025 -3.042 -0.017 -1.47 - NaOH 9.127e-21 9.129e-21 -20.040 -20.040 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23135,9 +22881,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.178e-18 + Total alkalinity (eq/kg) = 2.087e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.730e-17 + Electrical balance (eq) = -6.877e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -23172,7 +22918,6 @@ N(5) 8.116e-04 NO3- 8.116e-04 7.803e-04 -3.091 -3.108 -0.017 29.49 Na 9.794e-04 Na+ 9.794e-04 9.423e-04 -3.009 -3.026 -0.017 -1.47 - NaOH 9.467e-21 9.470e-21 -20.024 -20.024 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23233,9 +22978,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.465e-18 + Total alkalinity (eq/kg) = -8.867e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.796e-16 + Electrical balance (eq) = -2.795e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -23270,7 +23015,6 @@ N(5) 9.245e-04 NO3- 9.245e-04 8.888e-04 -3.034 -3.051 -0.017 29.49 Na 9.933e-04 Na+ 9.933e-04 9.557e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.602e-21 9.604e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23331,9 +23075,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.263e-18 + Total alkalinity (eq/kg) = 6.156e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.058e-16 + Electrical balance (eq) = -7.066e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -23368,7 +23112,6 @@ N(5) 1.016e-03 NO3- 1.016e-03 9.768e-04 -2.993 -3.010 -0.017 29.49 Na 9.981e-04 Na+ 9.981e-04 9.602e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.647e-21 9.650e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23429,9 +23172,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.621e-18 + Total alkalinity (eq/kg) = 1.269e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.214e-16 + Electrical balance (eq) = -8.229e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -23466,7 +23209,6 @@ N(5) 1.085e-03 NO3- 1.085e-03 1.043e-03 -2.965 -2.982 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23525,9 +23267,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.000e-18 + Total alkalinity (eq/kg) = 1.067e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.288e-16 + Electrical balance (eq) = -6.277e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -23559,7 +23301,6 @@ N(5) 1.132e-03 NO3- 1.132e-03 1.089e-03 -2.946 -2.963 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23618,9 +23359,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.034e-18 + Total alkalinity (eq/kg) = 5.190e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.408e-16 + Electrical balance (eq) = -4.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -23652,7 +23393,6 @@ N(5) 1.163e-03 NO3- 1.163e-03 1.118e-03 -2.934 -2.951 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23711,9 +23451,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.017e-19 + Total alkalinity (eq/kg) = 4.109e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.565e-16 + Electrical balance (eq) = -4.567e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -23745,7 +23485,6 @@ N(5) 1.181e-03 NO3- 1.181e-03 1.136e-03 -2.928 -2.945 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23804,9 +23543,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.015e-19 + Total alkalinity (eq/kg) = 1.624e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.597e-16 + Electrical balance (eq) = -4.609e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -23838,7 +23577,6 @@ N(5) 1.191e-03 NO3- 1.191e-03 1.145e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23897,9 +23635,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.084e-19 + Total alkalinity (eq/kg) = -8.896e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.517e-16 + Electrical balance (eq) = -4.524e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -23931,7 +23669,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -23990,9 +23727,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.729e-19 + Total alkalinity (eq/kg) = 1.658e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.371e-16 + Electrical balance (eq) = -4.374e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -24024,7 +23761,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24083,9 +23819,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.293e-20 + Total alkalinity (eq/kg) = 3.248e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.134e-16 + Electrical balance (eq) = -4.158e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -24117,7 +23853,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24176,9 +23911,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.020e-20 + Total alkalinity (eq/kg) = 1.856e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.916e-16 + Electrical balance (eq) = -3.936e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -24210,7 +23945,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24269,9 +24003,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.084e-20 + Total alkalinity (eq/kg) = -5.427e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.725e-16 + Electrical balance (eq) = -3.738e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -24303,7 +24037,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24362,9 +24095,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.629e-19 + Total alkalinity (eq/kg) = -8.633e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.737e-16 + Electrical balance (eq) = -3.741e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -24396,7 +24129,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24455,7 +24187,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.972e-19 + Total alkalinity (eq/kg) = -9.313e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.358e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -24489,7 +24221,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24548,9 +24279,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.041e-19 + Total alkalinity (eq/kg) = -1.093e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.369e-16 + Electrical balance (eq) = -3.381e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -24582,7 +24313,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24641,7 +24371,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.536e-19 + Total alkalinity (eq/kg) = -7.979e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.401e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -24675,7 +24405,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24734,7 +24463,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.754e-19 + Total alkalinity (eq/kg) = -6.855e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -24768,7 +24497,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24827,7 +24555,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.467e-19 + Total alkalinity (eq/kg) = -6.564e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.400e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -24861,7 +24589,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -24920,7 +24647,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.785e-19 + Total alkalinity (eq/kg) = -7.882e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.399e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -24954,7 +24681,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25013,7 +24739,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.136e-19 + Total alkalinity (eq/kg) = -9.233e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.399e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25047,7 +24773,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25106,7 +24831,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25140,7 +24865,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25199,7 +24923,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25233,7 +24957,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25291,7 +25014,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25322,7 +25045,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25378,7 +25100,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25409,7 +25131,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25465,7 +25186,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25496,7 +25217,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25552,7 +25272,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25583,7 +25303,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25639,7 +25358,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25670,7 +25389,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25726,7 +25444,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25757,7 +25475,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25813,7 +25530,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25844,7 +25561,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25900,7 +25616,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25931,7 +25647,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -25987,7 +25702,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26018,7 +25733,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26074,7 +25788,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26105,7 +25819,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26143,7 +25856,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26174,7 +25887,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26301,9 +26013,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.718e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.335e-19 + Total alkalinity (eq/kg) = 6.491e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.552e-16 + Electrical balance (eq) = 3.556e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -26338,7 +26050,6 @@ N(5) 4.782e-05 NO3- 4.782e-05 4.563e-05 -4.320 -4.341 -0.020 29.50 Na 9.296e-05 Na+ 9.296e-05 8.880e-05 -4.032 -4.052 -0.020 -1.46 - NaOH 8.886e-22 8.890e-22 -21.051 -21.051 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26399,9 +26110,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.662e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.066e-19 + Total alkalinity (eq/kg) = -2.721e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.189e-16 + Electrical balance (eq) = 4.184e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -26436,7 +26147,6 @@ N(5) 7.855e-05 NO3- 7.855e-05 7.502e-05 -4.105 -4.125 -0.020 29.50 Na 1.562e-04 Na+ 1.562e-04 1.493e-04 -3.806 -3.826 -0.020 -1.46 - NaOH 1.495e-21 1.495e-21 -20.825 -20.825 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26497,9 +26207,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.555e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.567e-19 + Total alkalinity (eq/kg) = 1.683e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.093e-16 + Electrical balance (eq) = 5.099e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -26534,7 +26244,6 @@ N(5) 1.351e-04 NO3- 1.351e-04 1.292e-04 -3.869 -3.889 -0.019 29.50 Na 2.765e-04 Na+ 2.765e-04 2.646e-04 -3.558 -3.577 -0.019 -1.47 - NaOH 2.652e-21 2.653e-21 -20.576 -20.576 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26595,9 +26304,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.405e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.578e-19 + Total alkalinity (eq/kg) = -4.155e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.539e-16 + Electrical balance (eq) = 5.536e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -26632,7 +26341,6 @@ N(5) 2.131e-04 NO3- 2.131e-04 2.042e-04 -3.671 -3.690 -0.018 29.49 Na 4.439e-04 Na+ 4.439e-04 4.258e-04 -3.353 -3.371 -0.018 -1.47 - NaOH 4.272e-21 4.273e-21 -20.369 -20.369 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26693,9 +26401,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.245e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.083e-19 + Total alkalinity (eq/kg) = 2.004e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.124e-16 + Electrical balance (eq) = 5.116e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -26730,7 +26438,6 @@ N(5) 3.105e-04 NO3- 3.105e-04 2.983e-04 -3.508 -3.525 -0.017 29.49 Na 6.349e-04 Na+ 6.349e-04 6.104e-04 -3.197 -3.214 -0.017 -1.47 - NaOH 6.131e-21 6.133e-21 -20.212 -20.212 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26791,9 +26498,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.196e-18 + Total alkalinity (eq/kg) = 2.168e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.059e-16 + Electrical balance (eq) = 4.064e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -26828,7 +26535,6 @@ N(5) 4.243e-04 NO3- 4.243e-04 4.079e-04 -3.372 -3.389 -0.017 29.49 Na 7.870e-04 Na+ 7.870e-04 7.571e-04 -3.104 -3.121 -0.017 -1.47 - NaOH 7.607e-21 7.610e-21 -20.119 -20.119 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26889,9 +26595,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.722e-18 + Total alkalinity (eq/kg) = 2.368e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.586e-16 + Electrical balance (eq) = 2.575e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -26926,7 +26632,6 @@ N(5) 5.486e-04 NO3- 5.486e-04 5.274e-04 -3.261 -3.278 -0.017 29.49 Na 8.897e-04 Na+ 8.897e-04 8.560e-04 -3.051 -3.068 -0.017 -1.47 - NaOH 8.601e-21 8.603e-21 -20.065 -20.065 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -26987,9 +26692,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.042e-18 + Total alkalinity (eq/kg) = 5.169e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.509e-17 + Electrical balance (eq) = 8.426e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -27024,7 +26729,6 @@ N(5) 6.752e-04 NO3- 6.752e-04 6.492e-04 -3.171 -3.188 -0.017 29.49 Na 9.516e-04 Na+ 9.516e-04 9.155e-04 -3.022 -3.038 -0.017 -1.47 - NaOH 9.198e-21 9.201e-21 -20.036 -20.036 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27085,9 +26789,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.191e-18 + Total alkalinity (eq/kg) = 5.417e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.206e-16 + Electrical balance (eq) = -1.220e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -27122,7 +26826,6 @@ N(5) 7.959e-04 NO3- 7.959e-04 7.652e-04 -3.099 -3.116 -0.017 29.49 Na 9.815e-04 Na+ 9.815e-04 9.443e-04 -3.008 -3.025 -0.017 -1.47 - NaOH 9.487e-21 9.490e-21 -20.023 -20.023 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27183,9 +26886,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.027e-18 + Total alkalinity (eq/kg) = 8.749e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.749e-16 + Electrical balance (eq) = -3.757e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -27220,7 +26923,6 @@ N(5) 9.035e-04 NO3- 9.035e-04 8.687e-04 -3.044 -3.061 -0.017 29.49 Na 9.937e-04 Na+ 9.937e-04 9.560e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.605e-21 9.608e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27281,9 +26983,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.604e-18 + Total alkalinity (eq/kg) = 9.111e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.151e-16 + Electrical balance (eq) = -7.169e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -27318,7 +27020,6 @@ N(5) 9.934e-04 NO3- 9.934e-04 9.550e-04 -3.003 -3.020 -0.017 29.49 Na 9.981e-04 Na+ 9.981e-04 9.602e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.647e-21 9.650e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27377,7 +27078,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.834e-18 + Total alkalinity (eq/kg) = 1.479e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.187e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -27411,7 +27112,6 @@ N(5) 1.064e-03 NO3- 1.064e-03 1.023e-03 -2.973 -2.990 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27470,9 +27170,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.580e-18 + Total alkalinity (eq/kg) = 1.515e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.563e-15 + Electrical balance (eq) = -1.564e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -27504,7 +27204,6 @@ N(5) 1.115e-03 NO3- 1.115e-03 1.072e-03 -2.953 -2.970 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27563,9 +27262,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.812e-19 + Total alkalinity (eq/kg) = 1.222e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.993e-16 + Electrical balance (eq) = -8.997e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -27597,7 +27296,6 @@ N(5) 1.150e-03 NO3- 1.150e-03 1.106e-03 -2.939 -2.956 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27656,9 +27354,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.877e-19 + Total alkalinity (eq/kg) = 6.870e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.424e-16 + Electrical balance (eq) = -5.428e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -27690,7 +27388,6 @@ N(5) 1.172e-03 NO3- 1.172e-03 1.127e-03 -2.931 -2.948 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27749,9 +27446,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.411e-19 + Total alkalinity (eq/kg) = 2.643e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.559e-16 + Electrical balance (eq) = -4.565e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -27783,7 +27480,6 @@ N(5) 1.186e-03 NO3- 1.186e-03 1.140e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27842,9 +27538,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.543e-19 + Total alkalinity (eq/kg) = 2.552e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.420e-16 + Electrical balance (eq) = -4.425e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -27876,7 +27572,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -27935,9 +27630,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.052e-19 + Total alkalinity (eq/kg) = -1.383e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.289e-16 + Electrical balance (eq) = -4.304e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -27969,7 +27664,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28028,9 +27722,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.681e-19 + Total alkalinity (eq/kg) = -2.675e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.141e-16 + Electrical balance (eq) = -4.142e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -28062,7 +27756,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28121,9 +27814,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.377e-19 + Total alkalinity (eq/kg) = -3.969e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.962e-16 + Electrical balance (eq) = -3.998e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -28155,7 +27848,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28214,9 +27906,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.199e-19 + Total alkalinity (eq/kg) = -3.304e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.826e-16 + Electrical balance (eq) = -3.839e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -28248,7 +27940,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28307,9 +27998,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.341e-19 + Total alkalinity (eq/kg) = -7.973e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.708e-16 + Electrical balance (eq) = -3.717e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -28341,7 +28032,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28400,9 +28090,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.456e-19 + Total alkalinity (eq/kg) = -7.340e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.620e-16 + Electrical balance (eq) = -3.630e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -28434,7 +28124,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28493,9 +28182,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.753e-19 + Total alkalinity (eq/kg) = -4.777e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.546e-16 + Electrical balance (eq) = -3.561e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -28527,7 +28216,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28586,9 +28274,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.407e-19 + Total alkalinity (eq/kg) = -8.073e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.510e-16 + Electrical balance (eq) = -3.511e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -28620,7 +28308,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28679,9 +28366,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.577e-19 + Total alkalinity (eq/kg) = -6.630e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.390e-16 + Electrical balance (eq) = -3.399e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -28713,7 +28400,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28772,9 +28458,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.456e-19 + Total alkalinity (eq/kg) = -6.826e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.406e-16 + Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -28806,7 +28492,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28865,7 +28550,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.675e-19 + Total alkalinity (eq/kg) = -7.802e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.392e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -28899,7 +28584,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -28958,7 +28642,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.993e-19 + Total alkalinity (eq/kg) = -9.094e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.399e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -28992,7 +28676,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29051,7 +28734,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.527e-19 + Total alkalinity (eq/kg) = -9.624e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.403e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29085,7 +28768,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29144,7 +28826,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.039e-18 + Total alkalinity (eq/kg) = -1.049e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.405e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29178,7 +28860,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29237,7 +28918,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.400e-18 + Total alkalinity (eq/kg) = -1.409e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.401e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29271,7 +28952,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29330,7 +29010,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.024e-18 + Total alkalinity (eq/kg) = -1.034e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29364,7 +29044,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29423,7 +29102,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.405e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29457,7 +29136,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29516,7 +29194,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29550,7 +29228,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29608,7 +29285,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29639,7 +29316,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29695,7 +29371,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29726,7 +29402,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29782,7 +29457,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29813,7 +29488,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29869,7 +29543,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29900,7 +29574,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -29956,7 +29629,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -29987,7 +29660,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30025,7 +29697,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -30056,7 +29728,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30183,9 +29854,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.739e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.436e-19 + Total alkalinity (eq/kg) = -3.010e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.521e-16 + Electrical balance (eq) = 2.520e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -30220,7 +29891,6 @@ N(5) 3.350e-05 NO3- 3.350e-05 3.196e-05 -4.475 -4.495 -0.020 29.50 Na 6.744e-05 Na+ 6.744e-05 6.440e-05 -4.171 -4.191 -0.020 -1.46 - NaOH 6.444e-22 6.447e-22 -21.191 -21.191 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30281,9 +29951,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.696e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.114e-19 + Total alkalinity (eq/kg) = -6.603e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.959e-16 + Electrical balance (eq) = 2.962e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -30318,7 +29988,6 @@ N(5) 5.564e-05 NO3- 5.564e-05 5.311e-05 -4.255 -4.275 -0.020 29.50 Na 1.142e-04 Na+ 1.142e-04 1.092e-04 -3.942 -3.962 -0.020 -1.46 - NaOH 1.092e-21 1.093e-21 -20.962 -20.961 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30379,9 +30048,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.614e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.224e-19 + Total alkalinity (eq/kg) = -2.784e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.975e-16 + Electrical balance (eq) = 4.982e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -30416,7 +30085,6 @@ N(5) 9.717e-05 NO3- 9.717e-05 9.286e-05 -4.012 -4.032 -0.020 29.50 Na 2.045e-04 Na+ 2.045e-04 1.956e-04 -3.689 -3.709 -0.019 -1.47 - NaOH 1.959e-21 1.959e-21 -20.708 -20.708 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30477,9 +30145,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.498e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.807e-20 + Total alkalinity (eq/kg) = -2.182e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.426e-16 + Electrical balance (eq) = 9.427e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -30514,7 +30182,6 @@ N(5) 1.562e-04 NO3- 1.562e-04 1.495e-04 -3.806 -3.825 -0.019 29.50 Na 3.360e-04 Na+ 3.360e-04 3.219e-04 -3.474 -3.492 -0.019 -1.47 - NaOH 3.227e-21 3.228e-21 -20.491 -20.491 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30575,9 +30242,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.356e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.547e-19 + Total alkalinity (eq/kg) = -5.085e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.259e-16 + Electrical balance (eq) = 6.254e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -30612,7 +30279,6 @@ N(5) 2.329e-04 NO3- 2.329e-04 2.234e-04 -3.633 -3.651 -0.018 29.49 Na 5.047e-04 Na+ 5.047e-04 4.845e-04 -3.297 -3.315 -0.018 -1.47 - NaOH 4.862e-21 4.863e-21 -20.313 -20.313 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30673,9 +30339,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.202e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.253e-19 + Total alkalinity (eq/kg) = -2.788e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.480e-16 + Electrical balance (eq) = 4.473e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -30710,7 +30376,6 @@ N(5) 3.267e-04 NO3- 3.267e-04 3.141e-04 -3.486 -3.503 -0.017 29.49 Na 6.951e-04 Na+ 6.951e-04 6.687e-04 -3.158 -3.175 -0.017 -1.47 - NaOH 6.719e-21 6.721e-21 -20.173 -20.173 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30771,9 +30436,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.662e-18 + Total alkalinity (eq/kg) = -1.195e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.603e-16 + Electrical balance (eq) = 3.596e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -30808,7 +30473,6 @@ N(5) 4.345e-04 NO3- 4.345e-04 4.177e-04 -3.362 -3.379 -0.017 29.49 Na 8.166e-04 Na+ 8.166e-04 7.857e-04 -3.088 -3.105 -0.017 -1.47 - NaOH 7.894e-21 7.896e-21 -20.103 -20.103 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30869,9 +30533,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.680e-18 + Total alkalinity (eq/kg) = -6.545e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.251e-16 + Electrical balance (eq) = 2.249e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -30906,7 +30570,6 @@ N(5) 5.509e-04 NO3- 5.509e-04 5.297e-04 -3.259 -3.276 -0.017 29.49 Na 9.059e-04 Na+ 9.059e-04 8.715e-04 -3.043 -3.060 -0.017 -1.47 - NaOH 8.757e-21 8.759e-21 -20.058 -20.058 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -30967,9 +30630,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.069e-18 + Total alkalinity (eq/kg) = 7.688e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.963e-17 + Electrical balance (eq) = 4.876e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -31004,7 +30667,6 @@ N(5) 6.695e-04 NO3- 6.695e-04 6.436e-04 -3.174 -3.191 -0.017 29.49 Na 9.583e-04 Na+ 9.583e-04 9.219e-04 -3.019 -3.035 -0.017 -1.47 - NaOH 9.263e-21 9.266e-21 -20.033 -20.033 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31065,9 +30727,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.881e-18 + Total alkalinity (eq/kg) = 1.304e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.718e-16 + Electrical balance (eq) = -1.728e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -31102,7 +30764,6 @@ N(5) 7.831e-04 NO3- 7.831e-04 7.529e-04 -3.106 -3.123 -0.017 29.49 Na 9.836e-04 Na+ 9.836e-04 9.463e-04 -3.007 -3.024 -0.017 -1.47 - NaOH 9.508e-21 9.510e-21 -20.022 -20.022 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31163,9 +30824,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.221e-18 + Total alkalinity (eq/kg) = 1.571e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.484e-16 + Electrical balance (eq) = -4.483e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -31200,7 +30861,6 @@ N(5) 8.860e-04 NO3- 8.860e-04 8.518e-04 -3.053 -3.070 -0.017 29.49 Na 9.942e-04 Na+ 9.942e-04 9.565e-04 -3.003 -3.019 -0.017 -1.47 - NaOH 9.610e-21 9.612e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31261,9 +30921,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.973e-18 + Total alkalinity (eq/kg) = 1.626e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.897e-16 + Electrical balance (eq) = -7.910e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -31298,7 +30958,6 @@ N(5) 9.738e-04 NO3- 9.738e-04 9.362e-04 -3.012 -3.029 -0.017 29.49 Na 9.981e-04 Na+ 9.981e-04 9.603e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.648e-21 9.650e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31357,9 +31016,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.101e-18 + Total alkalinity (eq/kg) = 1.824e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.208e-15 + Electrical balance (eq) = -1.209e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -31391,7 +31050,6 @@ N(5) 1.044e-03 NO3- 1.044e-03 1.004e-03 -2.981 -2.998 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.660e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31450,9 +31108,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.817e-18 + Total alkalinity (eq/kg) = 2.082e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.649e-15 + Electrical balance (eq) = -1.651e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -31484,7 +31142,6 @@ N(5) 1.098e-03 NO3- 1.098e-03 1.056e-03 -2.959 -2.976 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31543,7 +31200,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.540e-18 + Total alkalinity (eq/kg) = 1.956e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.117e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -31577,7 +31234,6 @@ N(5) 1.137e-03 NO3- 1.137e-03 1.093e-03 -2.944 -2.961 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31636,9 +31292,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.187e-18 + Total alkalinity (eq/kg) = 1.693e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.373e-15 + Electrical balance (eq) = -2.375e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -31670,7 +31326,6 @@ N(5) 1.163e-03 NO3- 1.163e-03 1.118e-03 -2.935 -2.952 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31729,9 +31384,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.513e-18 + Total alkalinity (eq/kg) = 1.186e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.470e-16 + Electrical balance (eq) = -9.478e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -31763,7 +31418,6 @@ N(5) 1.179e-03 NO3- 1.179e-03 1.134e-03 -2.928 -2.946 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31822,9 +31476,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.487e-19 + Total alkalinity (eq/kg) = 8.993e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.733e-16 + Electrical balance (eq) = -4.743e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -31856,7 +31510,6 @@ N(5) 1.189e-03 NO3- 1.189e-03 1.143e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -31915,9 +31568,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.328e-19 + Total alkalinity (eq/kg) = 9.283e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.245e-16 + Electrical balance (eq) = -4.243e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -31949,7 +31602,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.148e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32008,9 +31660,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.029e-21 + Total alkalinity (eq/kg) = 4.341e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.097e-16 + Electrical balance (eq) = -4.102e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32042,7 +31694,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32101,9 +31752,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.259e-19 + Total alkalinity (eq/kg) = -5.342e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.971e-16 + Electrical balance (eq) = -3.995e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32135,7 +31786,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32194,9 +31844,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.369e-19 + Total alkalinity (eq/kg) = -4.657e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.858e-16 + Electrical balance (eq) = -3.864e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32228,7 +31878,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32287,9 +31936,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.050e-19 + Total alkalinity (eq/kg) = -6.639e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.740e-16 + Electrical balance (eq) = -3.742e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32321,7 +31970,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32380,9 +32028,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.914e-19 + Total alkalinity (eq/kg) = -7.080e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.645e-16 + Electrical balance (eq) = -3.646e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32414,7 +32062,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32473,9 +32120,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.497e-19 + Total alkalinity (eq/kg) = -2.949e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.581e-16 + Electrical balance (eq) = -3.585e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32507,7 +32154,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32566,9 +32212,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.200e-19 + Total alkalinity (eq/kg) = -8.172e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.538e-16 + Electrical balance (eq) = -3.544e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32600,7 +32246,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32659,9 +32304,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.880e-19 + Total alkalinity (eq/kg) = -8.319e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.506e-16 + Electrical balance (eq) = -3.509e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32693,7 +32338,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32752,9 +32396,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.146e-19 + Total alkalinity (eq/kg) = -7.218e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.469e-16 + Electrical balance (eq) = -3.493e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32786,7 +32430,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32845,9 +32488,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.093e-19 + Total alkalinity (eq/kg) = -3.967e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.428e-16 + Electrical balance (eq) = -3.440e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -32879,7 +32522,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -32938,9 +32580,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.229e-18 + Total alkalinity (eq/kg) = -9.373e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.388e-16 + Electrical balance (eq) = -3.396e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -32972,7 +32614,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33031,9 +32672,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.189e-18 + Total alkalinity (eq/kg) = -1.333e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.392e-16 + Electrical balance (eq) = -3.391e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -33065,7 +32706,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33124,7 +32764,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.353e-18 + Total alkalinity (eq/kg) = -1.363e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.405e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33158,7 +32798,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33217,7 +32856,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.075e-18 + Total alkalinity (eq/kg) = -1.084e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.398e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33251,7 +32890,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33310,7 +32948,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.573e-19 + Total alkalinity (eq/kg) = -8.669e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.403e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33344,7 +32982,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33403,7 +33040,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.077e-18 + Total alkalinity (eq/kg) = -1.087e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33437,7 +33074,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33496,7 +33132,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.931e-19 + Total alkalinity (eq/kg) = -9.027e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.405e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33530,7 +33166,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33589,7 +33224,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.977e-19 + Total alkalinity (eq/kg) = -7.074e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.413e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33623,7 +33258,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33682,7 +33316,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.743e-19 + Total alkalinity (eq/kg) = -8.839e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.414e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33716,7 +33350,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33775,7 +33408,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33809,7 +33442,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33868,7 +33500,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.026e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33902,7 +33534,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -33942,7 +33573,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -33973,7 +33604,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34100,9 +33730,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.518e-20 + Total alkalinity (eq/kg) = -1.189e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.883e-16 + Electrical balance (eq) = 1.885e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -34137,7 +33767,6 @@ N(5) 2.369e-05 NO3- 2.369e-05 2.259e-05 -4.626 -4.646 -0.021 29.50 Na 4.917e-05 Na+ 4.917e-05 4.694e-05 -4.308 -4.328 -0.020 -1.46 - NaOH 4.697e-22 4.699e-22 -21.328 -21.328 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34198,7 +33827,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.722e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.095e-18 + Total alkalinity (eq/kg) = 1.199e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.475e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -34235,7 +33864,6 @@ N(5) 3.971e-05 NO3- 3.971e-05 3.789e-05 -4.401 -4.421 -0.020 29.50 Na 8.389e-05 Na+ 8.389e-05 8.013e-05 -4.076 -4.096 -0.020 -1.46 - NaOH 8.019e-22 8.022e-22 -21.096 -21.096 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34296,9 +33924,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.658e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.209e-18 + Total alkalinity (eq/kg) = 2.247e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.736e-16 + Electrical balance (eq) = 3.746e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -34333,7 +33961,6 @@ N(5) 7.023e-05 NO3- 7.023e-05 6.707e-05 -4.153 -4.173 -0.020 29.50 Na 1.528e-04 Na+ 1.528e-04 1.460e-04 -3.816 -3.836 -0.020 -1.46 - NaOH 1.462e-21 1.463e-21 -20.835 -20.835 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34394,9 +34021,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.556e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.614e-19 + Total alkalinity (eq/kg) = -2.701e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.288e-16 + Electrical balance (eq) = 5.286e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -34431,7 +34058,6 @@ N(5) 1.147e-04 NO3- 1.147e-04 1.097e-04 -3.940 -3.960 -0.019 29.50 Na 2.589e-04 Na+ 2.589e-04 2.478e-04 -3.587 -3.606 -0.019 -1.47 - NaOH 2.483e-21 2.484e-21 -20.605 -20.605 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34492,9 +34118,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.419e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.635e-19 + Total alkalinity (eq/kg) = -4.104e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.183e-16 + Electrical balance (eq) = 6.190e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -34529,7 +34155,6 @@ N(5) 1.744e-04 NO3- 1.744e-04 1.671e-04 -3.759 -3.777 -0.019 29.49 Na 4.036e-04 Na+ 4.036e-04 3.871e-04 -3.394 -3.412 -0.018 -1.47 - NaOH 3.883e-21 3.884e-21 -20.411 -20.411 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34590,9 +34215,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.279e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.988e-19 + Total alkalinity (eq/kg) = -2.640e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.949e-16 + Electrical balance (eq) = 5.948e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -34627,7 +34252,6 @@ N(5) 2.500e-04 NO3- 2.500e-04 2.400e-04 -3.602 -3.620 -0.018 29.49 Na 5.722e-04 Na+ 5.722e-04 5.499e-04 -3.242 -3.260 -0.017 -1.47 - NaOH 5.522e-21 5.523e-21 -20.258 -20.258 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34688,9 +34312,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.077e-19 + Total alkalinity (eq/kg) = 1.094e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.859e-16 + Electrical balance (eq) = 4.854e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -34725,7 +34349,6 @@ N(5) 3.405e-04 NO3- 3.405e-04 3.274e-04 -3.468 -3.485 -0.017 29.49 Na 7.315e-04 Na+ 7.315e-04 7.038e-04 -3.136 -3.153 -0.017 -1.47 - NaOH 7.072e-21 7.074e-21 -20.150 -20.150 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34786,9 +34409,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.301e-18 + Total alkalinity (eq/kg) = -2.943e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.452e-16 + Electrical balance (eq) = 3.451e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -34823,7 +34446,6 @@ N(5) 4.431e-04 NO3- 4.431e-04 4.260e-04 -3.354 -3.371 -0.017 29.49 Na 8.424e-04 Na+ 8.424e-04 8.104e-04 -3.074 -3.091 -0.017 -1.47 - NaOH 8.143e-21 8.145e-21 -20.089 -20.089 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34884,9 +34506,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.633e-18 + Total alkalinity (eq/kg) = -1.627e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.884e-16 + Electrical balance (eq) = 1.862e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -34921,7 +34543,6 @@ N(5) 5.530e-04 NO3- 5.530e-04 5.317e-04 -3.257 -3.274 -0.017 29.49 Na 9.199e-04 Na+ 9.199e-04 8.851e-04 -3.036 -3.053 -0.017 -1.47 - NaOH 8.893e-21 8.895e-21 -20.051 -20.051 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -34982,9 +34603,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.786e-18 + Total alkalinity (eq/kg) = 3.633e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.408e-18 + Electrical balance (eq) = 2.086e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -35019,7 +34640,6 @@ N(5) 6.647e-04 NO3- 6.647e-04 6.391e-04 -3.177 -3.194 -0.017 29.49 Na 9.642e-04 Na+ 9.642e-04 9.277e-04 -3.016 -3.033 -0.017 -1.47 - NaOH 9.321e-21 9.323e-21 -20.031 -20.030 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35080,9 +34700,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.905e-18 + Total alkalinity (eq/kg) = 8.013e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.242e-16 + Electrical balance (eq) = -2.254e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -35117,7 +34737,6 @@ N(5) 7.725e-04 NO3- 7.725e-04 7.427e-04 -3.112 -3.129 -0.017 29.49 Na 9.857e-04 Na+ 9.857e-04 9.483e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.528e-21 9.530e-21 -20.021 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35178,9 +34797,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.597e-18 + Total alkalinity (eq/kg) = 1.775e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.027e-16 + Electrical balance (eq) = -5.044e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -35215,7 +34834,6 @@ N(5) 8.710e-04 NO3- 8.710e-04 8.374e-04 -3.060 -3.077 -0.017 29.49 Na 9.947e-04 Na+ 9.947e-04 9.570e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.615e-21 9.618e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35274,9 +34892,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.580e-18 + Total alkalinity (eq/kg) = 2.241e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.425e-16 + Electrical balance (eq) = -8.438e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -35308,7 +34926,6 @@ N(5) 9.567e-04 NO3- 9.567e-04 9.198e-04 -3.019 -3.036 -0.017 29.49 Na 9.982e-04 Na+ 9.982e-04 9.604e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.649e-21 9.651e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35367,9 +34984,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.195e-18 + Total alkalinity (eq/kg) = 2.540e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.260e-15 + Electrical balance (eq) = -1.261e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -35401,7 +35018,6 @@ N(5) 1.027e-03 NO3- 1.027e-03 9.877e-04 -2.988 -3.005 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.660e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35460,9 +35076,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.086e-18 + Total alkalinity (eq/kg) = 3.006e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.741e-15 + Electrical balance (eq) = -1.743e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -35494,7 +35110,6 @@ N(5) 1.083e-03 NO3- 1.083e-03 1.041e-03 -2.966 -2.983 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35553,9 +35168,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.160e-18 + Total alkalinity (eq/kg) = 2.580e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.224e-15 + Electrical balance (eq) = -2.225e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -35587,7 +35202,6 @@ N(5) 1.124e-03 NO3- 1.124e-03 1.080e-03 -2.949 -2.966 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35646,7 +35260,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.539e-18 + Total alkalinity (eq/kg) = 1.623e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.607e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -35680,7 +35294,6 @@ N(5) 1.153e-03 NO3- 1.153e-03 1.108e-03 -2.938 -2.955 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35739,7 +35352,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.790e-18 + Total alkalinity (eq/kg) = 1.821e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.563e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -35773,7 +35386,6 @@ N(5) 1.172e-03 NO3- 1.172e-03 1.127e-03 -2.931 -2.948 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35832,9 +35444,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.247e-18 + Total alkalinity (eq/kg) = 1.581e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.296e-15 + Electrical balance (eq) = -2.295e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -35866,7 +35478,6 @@ N(5) 1.184e-03 NO3- 1.184e-03 1.139e-03 -2.927 -2.944 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -35925,9 +35536,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.664e-19 + Total alkalinity (eq/kg) = 7.080e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.105e-16 + Electrical balance (eq) = -6.095e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -35959,7 +35570,6 @@ N(5) 1.192e-03 NO3- 1.192e-03 1.146e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36018,9 +35628,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.461e-19 + Total alkalinity (eq/kg) = 3.724e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.287e-16 + Electrical balance (eq) = -4.289e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36052,7 +35662,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36111,9 +35720,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.232e-19 + Total alkalinity (eq/kg) = -7.733e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.986e-16 + Electrical balance (eq) = -3.982e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36145,7 +35754,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36204,9 +35812,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.263e-19 + Total alkalinity (eq/kg) = -3.282e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.856e-16 + Electrical balance (eq) = -3.865e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36238,7 +35846,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36297,9 +35904,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.071e-19 + Total alkalinity (eq/kg) = -6.862e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.746e-16 + Electrical balance (eq) = -3.742e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36331,7 +35938,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36390,9 +35996,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.308e-19 + Total alkalinity (eq/kg) = -7.602e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.672e-16 + Electrical balance (eq) = -3.673e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36424,7 +36030,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36483,9 +36088,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.227e-19 + Total alkalinity (eq/kg) = -5.863e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.605e-16 + Electrical balance (eq) = -3.601e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36517,7 +36122,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36576,9 +36180,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.971e-19 + Total alkalinity (eq/kg) = -4.998e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.546e-16 + Electrical balance (eq) = -3.556e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36610,7 +36214,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36669,9 +36272,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.127e-19 + Total alkalinity (eq/kg) = -6.574e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.508e-16 + Electrical balance (eq) = -3.523e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36703,7 +36306,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36762,9 +36364,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.750e-19 + Total alkalinity (eq/kg) = -3.012e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.465e-16 + Electrical balance (eq) = -3.485e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36796,7 +36398,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36855,9 +36456,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.605e-19 + Total alkalinity (eq/kg) = 9.237e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.443e-16 + Electrical balance (eq) = -3.456e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36889,7 +36490,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -36948,9 +36548,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.906e-19 + Total alkalinity (eq/kg) = -4.442e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.418e-16 + Electrical balance (eq) = -3.433e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -36982,7 +36582,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37041,9 +36640,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.119e-18 + Total alkalinity (eq/kg) = -1.161e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.412e-16 + Electrical balance (eq) = -3.416e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -37075,7 +36674,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37134,9 +36732,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.063e-18 + Total alkalinity (eq/kg) = -1.284e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.404e-16 + Electrical balance (eq) = -3.403e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -37168,7 +36766,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37227,9 +36824,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.057e-18 + Total alkalinity (eq/kg) = -1.043e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.400e-16 + Electrical balance (eq) = -3.401e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -37261,7 +36858,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37320,7 +36916,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.123e-18 + Total alkalinity (eq/kg) = -1.134e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.398e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -37354,7 +36950,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37413,7 +37008,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.179e-19 + Total alkalinity (eq/kg) = -9.284e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.403e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -37447,7 +37042,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37506,7 +37100,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.071e-18 + Total alkalinity (eq/kg) = -1.080e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -37540,7 +37134,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37599,7 +37192,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.327e-18 + Total alkalinity (eq/kg) = -1.336e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.405e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -37633,7 +37226,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37692,7 +37284,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.259e-19 + Total alkalinity (eq/kg) = -6.356e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.413e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -37726,7 +37318,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37785,7 +37376,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.221e-19 + Total alkalinity (eq/kg) = -7.318e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.413e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -37819,7 +37410,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -37859,7 +37449,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -37890,7 +37480,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38017,9 +37606,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.766e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.007e-19 + Total alkalinity (eq/kg) = -6.641e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.716e-16 + Electrical balance (eq) = 1.719e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -38054,7 +37643,6 @@ N(5) 1.688e-05 NO3- 1.688e-05 1.610e-05 -4.773 -4.793 -0.021 29.50 Na 3.612e-05 Na+ 3.612e-05 3.448e-05 -4.442 -4.462 -0.020 -1.46 - NaOH 3.449e-22 3.451e-22 -21.462 -21.462 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38115,9 +37703,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.741e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.203e-19 + Total alkalinity (eq/kg) = -2.047e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.067e-16 + Electrical balance (eq) = 2.060e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -38152,7 +37740,6 @@ N(5) 2.852e-05 NO3- 2.852e-05 2.721e-05 -4.545 -4.565 -0.020 29.50 Na 6.210e-05 Na+ 6.210e-05 5.930e-05 -4.207 -4.227 -0.020 -1.46 - NaOH 5.934e-22 5.936e-22 -21.227 -21.226 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38213,9 +37800,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.691e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.879e-19 + Total alkalinity (eq/kg) = -3.274e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.688e-16 + Electrical balance (eq) = 6.701e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -38250,7 +37837,6 @@ N(5) 5.098e-05 NO3- 5.098e-05 4.867e-05 -4.293 -4.313 -0.020 29.50 Na 1.138e-04 Na+ 1.138e-04 1.087e-04 -3.944 -3.964 -0.020 -1.46 - NaOH 1.088e-21 1.089e-21 -20.963 -20.963 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38311,9 +37897,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.614e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.578e-19 + Total alkalinity (eq/kg) = -7.966e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.341e-15 + Electrical balance (eq) = 2.342e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -38348,7 +37934,6 @@ N(5) 8.442e-05 NO3- 8.442e-05 8.068e-05 -4.074 -4.093 -0.020 29.50 Na 1.946e-04 Na+ 1.946e-04 1.861e-04 -3.711 -3.730 -0.019 -1.47 - NaOH 1.864e-21 1.865e-21 -20.729 -20.729 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38409,7 +37994,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.504e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.013e-19 + Total alkalinity (eq/kg) = -3.587e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.522e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -38446,7 +38031,6 @@ N(5) 1.304e-04 NO3- 1.304e-04 1.248e-04 -3.885 -3.904 -0.019 29.50 Na 3.110e-04 Na+ 3.110e-04 2.979e-04 -3.507 -3.526 -0.019 -1.47 - NaOH 2.986e-21 2.987e-21 -20.525 -20.525 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38507,9 +38091,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.364e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.325e-19 + Total alkalinity (eq/kg) = -4.846e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.856e-16 + Electrical balance (eq) = 6.852e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -38544,7 +38128,6 @@ N(5) 1.905e-04 NO3- 1.905e-04 1.826e-04 -3.720 -3.738 -0.018 29.49 Na 4.641e-04 Na+ 4.641e-04 4.455e-04 -3.333 -3.351 -0.018 -1.47 - NaOH 4.470e-21 4.472e-21 -20.350 -20.350 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38605,9 +38188,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.205e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.126e-19 + Total alkalinity (eq/kg) = -5.292e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.154e-16 + Electrical balance (eq) = 5.151e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -38642,7 +38225,6 @@ N(5) 2.649e-04 NO3- 2.649e-04 2.547e-04 -3.577 -3.594 -0.017 29.49 Na 6.420e-04 Na+ 6.420e-04 6.176e-04 -3.192 -3.209 -0.017 -1.47 - NaOH 6.206e-21 6.208e-21 -20.207 -20.207 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38703,9 +38285,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.022e-18 + Total alkalinity (eq/kg) = -5.028e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.400e-16 + Electrical balance (eq) = 4.408e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -38740,7 +38322,6 @@ N(5) 3.525e-04 NO3- 3.525e-04 3.389e-04 -3.453 -3.470 -0.017 29.49 Na 7.656e-04 Na+ 7.656e-04 7.365e-04 -3.116 -3.133 -0.017 -1.47 - NaOH 7.401e-21 7.403e-21 -20.131 -20.131 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38801,9 +38382,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.252e-19 + Total alkalinity (eq/kg) = -2.036e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.169e-16 + Electrical balance (eq) = 3.172e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -38838,7 +38419,6 @@ N(5) 4.504e-04 NO3- 4.504e-04 4.330e-04 -3.346 -3.363 -0.017 29.49 Na 8.652e-04 Na+ 8.652e-04 8.324e-04 -3.063 -3.080 -0.017 -1.47 - NaOH 8.363e-21 8.366e-21 -20.078 -20.077 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38899,9 +38479,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.112e-18 + Total alkalinity (eq/kg) = 3.970e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.559e-16 + Electrical balance (eq) = 1.552e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -38936,7 +38516,6 @@ N(5) 5.548e-04 NO3- 5.548e-04 5.334e-04 -3.256 -3.273 -0.017 29.49 Na 9.320e-04 Na+ 9.320e-04 8.967e-04 -3.031 -3.047 -0.017 -1.47 - NaOH 9.009e-21 9.012e-21 -20.045 -20.045 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -38997,9 +38576,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.253e-18 + Total alkalinity (eq/kg) = 5.105e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.963e-17 + Electrical balance (eq) = -4.067e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -39034,7 +38613,6 @@ N(5) 6.608e-04 NO3- 6.608e-04 6.353e-04 -3.180 -3.197 -0.017 29.49 Na 9.695e-04 Na+ 9.695e-04 9.327e-04 -3.013 -3.030 -0.017 -1.47 - NaOH 9.371e-21 9.374e-21 -20.028 -20.028 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39095,9 +38673,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.942e-18 + Total alkalinity (eq/kg) = 1.556e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.757e-16 + Electrical balance (eq) = -2.772e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -39132,7 +38710,6 @@ N(5) 7.634e-04 NO3- 7.634e-04 7.339e-04 -3.117 -3.134 -0.017 29.49 Na 9.875e-04 Na+ 9.875e-04 9.501e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.546e-21 9.548e-21 -20.020 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39193,9 +38770,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.187e-18 + Total alkalinity (eq/kg) = 1.990e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.566e-16 + Electrical balance (eq) = -5.591e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39230,7 +38807,6 @@ N(5) 8.581e-04 NO3- 8.581e-04 8.250e-04 -3.066 -3.084 -0.017 29.49 Na 9.953e-04 Na+ 9.953e-04 9.576e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.621e-21 9.623e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39289,9 +38865,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.823e-18 + Total alkalinity (eq/kg) = 2.715e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.949e-16 + Electrical balance (eq) = -8.972e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39323,7 +38899,6 @@ N(5) 9.416e-04 NO3- 9.416e-04 9.053e-04 -3.026 -3.043 -0.017 29.49 Na 9.984e-04 Na+ 9.984e-04 9.605e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.650e-21 9.653e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39382,9 +38957,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.907e-18 + Total alkalinity (eq/kg) = 2.984e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.297e-15 + Electrical balance (eq) = -1.299e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39416,7 +38991,6 @@ N(5) 1.012e-03 NO3- 1.012e-03 9.728e-04 -2.995 -3.012 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39475,9 +39049,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.992e-18 + Total alkalinity (eq/kg) = 2.725e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.753e-15 + Electrical balance (eq) = -1.755e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39509,7 +39083,6 @@ N(5) 1.068e-03 NO3- 1.068e-03 1.027e-03 -2.971 -2.988 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39568,9 +39141,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.559e-18 + Total alkalinity (eq/kg) = 2.706e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.228e-15 + Electrical balance (eq) = -2.229e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39602,7 +39175,6 @@ N(5) 1.111e-03 NO3- 1.111e-03 1.068e-03 -2.954 -2.971 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39661,9 +39233,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.695e-18 + Total alkalinity (eq/kg) = 2.633e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.667e-15 + Electrical balance (eq) = -2.669e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39695,7 +39267,6 @@ N(5) 1.143e-03 NO3- 1.143e-03 1.098e-03 -2.942 -2.959 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39754,9 +39325,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.740e-18 + Total alkalinity (eq/kg) = 2.262e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.949e-15 + Electrical balance (eq) = -2.948e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39788,7 +39359,6 @@ N(5) 1.164e-03 NO3- 1.164e-03 1.119e-03 -2.934 -2.951 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39847,9 +39417,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.353e-18 + Total alkalinity (eq/kg) = 1.844e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.965e-15 + Electrical balance (eq) = -2.966e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39881,7 +39451,6 @@ N(5) 1.179e-03 NO3- 1.179e-03 1.133e-03 -2.929 -2.946 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -39940,9 +39509,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.799e-19 + Total alkalinity (eq/kg) = 1.206e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.570e-15 + Electrical balance (eq) = -2.571e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -39974,7 +39543,6 @@ N(5) 1.188e-03 NO3- 1.188e-03 1.142e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40033,7 +39601,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.912e-19 + Total alkalinity (eq/kg) = 9.159e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -1.046e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -40067,7 +39635,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40126,9 +39693,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.401e-19 + Total alkalinity (eq/kg) = 4.446e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.018e-16 + Electrical balance (eq) = -5.019e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40160,7 +39727,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40219,9 +39785,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.806e-19 + Total alkalinity (eq/kg) = 5.510e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.034e-16 + Electrical balance (eq) = -4.039e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40253,7 +39819,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40312,9 +39877,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.561e-19 + Total alkalinity (eq/kg) = -3.773e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.784e-16 + Electrical balance (eq) = -3.781e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40346,7 +39911,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40405,9 +39969,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.028e-21 + Total alkalinity (eq/kg) = -2.873e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.674e-16 + Electrical balance (eq) = -3.682e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40439,7 +40003,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40498,9 +40061,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.474e-19 + Total alkalinity (eq/kg) = -4.515e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.619e-16 + Electrical balance (eq) = -3.616e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40532,7 +40095,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40591,9 +40153,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.825e-19 + Total alkalinity (eq/kg) = -2.754e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.561e-16 + Electrical balance (eq) = -3.563e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40625,7 +40187,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40684,9 +40245,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.028e-19 + Total alkalinity (eq/kg) = -3.125e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.512e-16 + Electrical balance (eq) = -3.528e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40718,7 +40279,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40777,9 +40337,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.820e-19 + Total alkalinity (eq/kg) = -1.997e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.482e-16 + Electrical balance (eq) = -3.496e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40811,7 +40371,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40870,9 +40429,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.778e-19 + Total alkalinity (eq/kg) = 6.907e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.448e-16 + Electrical balance (eq) = -3.468e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40904,7 +40463,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -40963,9 +40521,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.353e-19 + Total alkalinity (eq/kg) = -8.611e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.444e-16 + Electrical balance (eq) = -3.446e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -40997,7 +40555,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41056,9 +40613,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.145e-18 + Total alkalinity (eq/kg) = -9.997e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.425e-16 + Electrical balance (eq) = -3.424e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -41090,7 +40647,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41149,9 +40705,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.076e-18 + Total alkalinity (eq/kg) = -9.277e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.409e-16 + Electrical balance (eq) = -3.414e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -41183,7 +40739,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41242,7 +40797,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.213e-18 + Total alkalinity (eq/kg) = -1.122e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.411e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -41276,7 +40831,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41335,9 +40889,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.191e-18 + Total alkalinity (eq/kg) = -1.119e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.400e-16 + Electrical balance (eq) = -3.403e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -41369,7 +40923,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41428,9 +40981,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.088e-18 + Total alkalinity (eq/kg) = -1.281e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.409e-16 + Electrical balance (eq) = -3.406e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -41462,7 +41015,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41521,7 +41073,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.060e-18 + Total alkalinity (eq/kg) = -1.071e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.402e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -41555,7 +41107,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41614,7 +41165,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.740e-19 + Total alkalinity (eq/kg) = -4.837e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -41648,7 +41199,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41707,7 +41257,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.868e-19 + Total alkalinity (eq/kg) = -4.965e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.412e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -41741,7 +41291,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41781,7 +41330,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -41812,7 +41361,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -41939,9 +41487,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.774e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.028e-20 + Total alkalinity (eq/kg) = -2.453e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.747e-16 + Electrical balance (eq) = 1.738e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -41976,7 +41524,6 @@ N(5) 1.211e-05 NO3- 1.211e-05 1.155e-05 -4.917 -4.937 -0.021 29.50 Na 2.667e-05 Na+ 2.667e-05 2.546e-05 -4.574 -4.594 -0.020 -1.46 - NaOH 2.546e-22 2.547e-22 -21.594 -21.594 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42037,9 +41584,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.800e-19 + Total alkalinity (eq/kg) = -5.497e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.038e-16 + Electrical balance (eq) = 4.024e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -42074,7 +41621,6 @@ N(5) 2.060e-05 NO3- 2.060e-05 1.965e-05 -4.686 -4.707 -0.021 29.50 Na 4.606e-05 Na+ 4.606e-05 4.398e-05 -4.337 -4.357 -0.020 -1.46 - NaOH 4.400e-22 4.402e-22 -21.357 -21.356 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42135,9 +41681,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.717e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.876e-19 + Total alkalinity (eq/kg) = -8.327e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.413e-15 + Electrical balance (eq) = 1.415e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -42172,7 +41718,6 @@ N(5) 3.716e-05 NO3- 3.716e-05 3.547e-05 -4.430 -4.450 -0.020 29.50 Na 8.507e-05 Na+ 8.507e-05 8.126e-05 -4.070 -4.090 -0.020 -1.46 - NaOH 8.132e-22 8.135e-22 -21.090 -21.090 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42233,9 +41778,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.655e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.646e-20 + Total alkalinity (eq/kg) = -8.612e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.831e-15 + Electrical balance (eq) = 3.833e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -42270,7 +41815,6 @@ N(5) 6.225e-05 NO3- 6.225e-05 5.946e-05 -4.206 -4.226 -0.020 29.50 Na 1.475e-04 Na+ 1.475e-04 1.410e-04 -3.831 -3.851 -0.020 -1.46 - NaOH 1.412e-21 1.413e-21 -20.850 -20.850 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42331,9 +41875,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.560e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.628e-19 + Total alkalinity (eq/kg) = -3.661e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.310e-15 + Electrical balance (eq) = 2.312e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -42368,7 +41912,6 @@ N(5) 9.751e-05 NO3- 9.751e-05 9.325e-05 -4.011 -4.030 -0.019 29.50 Na 2.410e-04 Na+ 2.410e-04 2.306e-04 -3.618 -3.637 -0.019 -1.47 - NaOH 2.311e-21 2.312e-21 -20.636 -20.636 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42429,9 +41972,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.434e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.786e-19 + Total alkalinity (eq/kg) = -5.768e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.583e-15 + Electrical balance (eq) = 1.584e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -42466,7 +42009,6 @@ N(5) 1.447e-04 NO3- 1.447e-04 1.387e-04 -3.839 -3.858 -0.019 29.50 Na 3.691e-04 Na+ 3.691e-04 3.539e-04 -3.433 -3.451 -0.018 -1.47 - NaOH 3.549e-21 3.550e-21 -20.450 -20.450 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42527,7 +42069,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.302e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.424e-19 + Total alkalinity (eq/kg) = -4.243e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.066e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -42564,7 +42106,6 @@ N(5) 2.049e-04 NO3- 2.049e-04 1.967e-04 -3.688 -3.706 -0.018 29.49 Na 5.228e-04 Na+ 5.228e-04 5.022e-04 -3.282 -3.299 -0.017 -1.47 - NaOH 5.042e-21 5.043e-21 -20.297 -20.297 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42625,9 +42166,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.490e-19 + Total alkalinity (eq/kg) = -2.627e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.041e-16 + Electrical balance (eq) = 7.036e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -42662,7 +42203,6 @@ N(5) 2.781e-04 NO3- 2.781e-04 2.673e-04 -3.556 -3.573 -0.017 29.49 Na 6.819e-04 Na+ 6.819e-04 6.561e-04 -3.166 -3.183 -0.017 -1.47 - NaOH 6.592e-21 6.594e-21 -20.181 -20.181 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42723,9 +42263,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.648e-19 + Total alkalinity (eq/kg) = -6.934e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.637e-16 + Electrical balance (eq) = 4.618e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -42760,7 +42300,6 @@ N(5) 3.629e-04 NO3- 3.629e-04 3.489e-04 -3.440 -3.457 -0.017 29.49 Na 7.962e-04 Na+ 7.962e-04 7.660e-04 -3.099 -3.116 -0.017 -1.47 - NaOH 7.697e-21 7.699e-21 -20.114 -20.114 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42821,9 +42360,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.839e-19 + Total alkalinity (eq/kg) = -4.242e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.107e-16 + Electrical balance (eq) = 3.095e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -42858,7 +42397,6 @@ N(5) 4.568e-04 NO3- 4.568e-04 4.392e-04 -3.340 -3.357 -0.017 29.49 Na 8.850e-04 Na+ 8.850e-04 8.515e-04 -3.053 -3.070 -0.017 -1.47 - NaOH 8.555e-21 8.558e-21 -20.068 -20.068 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -42919,9 +42457,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.009e-18 + Total alkalinity (eq/kg) = 4.084e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.635e-16 + Electrical balance (eq) = 1.622e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -42956,7 +42494,6 @@ N(5) 5.564e-04 NO3- 5.564e-04 5.350e-04 -3.255 -3.272 -0.017 29.49 Na 9.425e-04 Na+ 9.425e-04 9.067e-04 -3.026 -3.043 -0.017 -1.47 - NaOH 9.110e-21 9.113e-21 -20.040 -20.040 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43017,9 +42554,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.579e-18 + Total alkalinity (eq/kg) = 9.587e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.624e-17 + Electrical balance (eq) = -2.767e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -43054,7 +42591,6 @@ N(5) 6.574e-04 NO3- 6.574e-04 6.321e-04 -3.182 -3.199 -0.017 29.49 Na 9.741e-04 Na+ 9.741e-04 9.371e-04 -3.011 -3.028 -0.017 -1.47 - NaOH 9.416e-21 9.418e-21 -20.026 -20.026 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43115,9 +42651,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.437e-18 + Total alkalinity (eq/kg) = 1.526e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.763e-16 + Electrical balance (eq) = -2.785e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -43152,7 +42688,6 @@ N(5) 7.556e-04 NO3- 7.556e-04 7.264e-04 -3.122 -3.139 -0.017 29.49 Na 9.892e-04 Na+ 9.892e-04 9.517e-04 -3.005 -3.021 -0.017 -1.47 - NaOH 9.562e-21 9.565e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43213,9 +42748,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.664e-18 + Total alkalinity (eq/kg) = 2.230e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.815e-16 + Electrical balance (eq) = -5.846e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -43250,7 +42785,6 @@ N(5) 8.469e-04 NO3- 8.469e-04 8.142e-04 -3.072 -3.089 -0.017 29.49 Na 9.959e-04 Na+ 9.959e-04 9.581e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.626e-21 9.629e-21 -20.017 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43309,9 +42843,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.839e-18 + Total alkalinity (eq/kg) = 2.735e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.324e-16 + Electrical balance (eq) = -9.352e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -43343,7 +42877,6 @@ N(5) 9.282e-04 NO3- 9.282e-04 8.924e-04 -3.032 -3.049 -0.017 29.49 Na 9.985e-04 Na+ 9.985e-04 9.606e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.651e-21 9.654e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43402,9 +42935,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.004e-18 + Total alkalinity (eq/kg) = 3.212e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.325e-15 + Electrical balance (eq) = -1.329e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -43436,7 +42969,6 @@ N(5) 9.977e-04 NO3- 9.977e-04 9.592e-04 -3.001 -3.018 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43495,9 +43027,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.839e-18 + Total alkalinity (eq/kg) = 3.086e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-15 + Electrical balance (eq) = -1.762e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -43529,7 +43061,6 @@ N(5) 1.055e-03 NO3- 1.055e-03 1.014e-03 -2.977 -2.994 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43588,7 +43119,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.698e-18 + Total alkalinity (eq/kg) = 3.054e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.212e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -43622,7 +43153,6 @@ N(5) 1.099e-03 NO3- 1.099e-03 1.057e-03 -2.959 -2.976 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43681,7 +43211,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.707e-18 + Total alkalinity (eq/kg) = 2.701e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.633e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -43715,7 +43245,6 @@ N(5) 1.133e-03 NO3- 1.133e-03 1.089e-03 -2.946 -2.963 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43774,7 +43303,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.904e-18 + Total alkalinity (eq/kg) = 1.540e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.973e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -43808,7 +43337,6 @@ N(5) 1.157e-03 NO3- 1.157e-03 1.112e-03 -2.937 -2.954 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43867,9 +43395,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.622e-18 + Total alkalinity (eq/kg) = 2.229e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.187e-15 + Electrical balance (eq) = -3.188e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -43901,7 +43429,6 @@ N(5) 1.173e-03 NO3- 1.173e-03 1.128e-03 -2.931 -2.948 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -43960,9 +43487,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.127e-18 + Total alkalinity (eq/kg) = 1.378e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.202e-15 + Electrical balance (eq) = -3.200e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -43994,7 +43521,6 @@ N(5) 1.184e-03 NO3- 1.184e-03 1.138e-03 -2.927 -2.944 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44053,9 +43579,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.512e-18 + Total alkalinity (eq/kg) = 1.395e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.767e-15 + Electrical balance (eq) = -2.766e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -44087,7 +43613,6 @@ N(5) 1.191e-03 NO3- 1.191e-03 1.145e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44146,7 +43671,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.634e-19 + Total alkalinity (eq/kg) = 7.067e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -2.039e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -44180,7 +43705,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44239,9 +43763,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.777e-19 + Total alkalinity (eq/kg) = 9.006e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.020e-16 + Electrical balance (eq) = -7.031e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44273,7 +43797,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44332,9 +43855,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.425e-19 + Total alkalinity (eq/kg) = 7.279e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.404e-16 + Electrical balance (eq) = -4.401e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44366,7 +43889,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44425,9 +43947,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.824e-19 + Total alkalinity (eq/kg) = -1.215e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.776e-16 + Electrical balance (eq) = -3.786e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44459,7 +43981,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44518,9 +44039,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.616e-19 + Total alkalinity (eq/kg) = 4.897e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.624e-16 + Electrical balance (eq) = -3.645e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44552,7 +44073,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44611,9 +44131,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.767e-19 + Total alkalinity (eq/kg) = -5.095e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.571e-16 + Electrical balance (eq) = -3.590e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44645,7 +44165,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44704,9 +44223,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.671e-19 + Total alkalinity (eq/kg) = -4.427e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.511e-16 + Electrical balance (eq) = -3.536e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44738,7 +44257,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44797,9 +44315,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.234e-19 + Total alkalinity (eq/kg) = -4.583e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.484e-16 + Electrical balance (eq) = -3.501e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44831,7 +44349,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44890,9 +44407,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.589e-19 + Total alkalinity (eq/kg) = -1.877e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.461e-16 + Electrical balance (eq) = -3.467e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -44924,7 +44441,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -44983,9 +44499,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.360e-19 + Total alkalinity (eq/kg) = -6.225e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.453e-16 + Electrical balance (eq) = -3.454e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -45017,7 +44533,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45076,9 +44591,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.163e-19 + Total alkalinity (eq/kg) = -6.162e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.426e-16 + Electrical balance (eq) = -3.432e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -45110,7 +44625,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45169,9 +44683,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.798e-19 + Total alkalinity (eq/kg) = -9.766e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.417e-16 + Electrical balance (eq) = -3.420e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -45203,7 +44717,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45262,9 +44775,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.270e-18 + Total alkalinity (eq/kg) = -1.335e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.418e-16 + Electrical balance (eq) = -3.416e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -45296,7 +44809,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45355,9 +44867,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.191e-18 + Total alkalinity (eq/kg) = -1.322e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.404e-16 + Electrical balance (eq) = -3.403e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -45389,7 +44901,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45448,9 +44959,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.690e-19 + Total alkalinity (eq/kg) = -1.028e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.407e-16 + Electrical balance (eq) = -3.404e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -45482,7 +44993,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45541,9 +45051,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.424e-19 + Total alkalinity (eq/kg) = -4.842e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.411e-16 + Electrical balance (eq) = -3.408e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -45575,7 +45085,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45634,9 +45143,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.152e-19 + Total alkalinity (eq/kg) = -5.364e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.424e-16 + Electrical balance (eq) = -3.420e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -45668,7 +45177,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45708,7 +45216,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -45739,7 +45247,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45866,9 +45373,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.780e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.160e-19 + Total alkalinity (eq/kg) = -1.364e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.269e-16 + Electrical balance (eq) = 2.292e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -45903,7 +45410,6 @@ N(5) 8.742e-06 NO3- 8.742e-06 8.336e-06 -5.058 -5.079 -0.021 29.50 Na 1.977e-05 Na+ 1.977e-05 1.887e-05 -4.704 -4.724 -0.020 -1.46 - NaOH 1.888e-22 1.889e-22 -21.724 -21.724 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -45964,9 +45470,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.766e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.120e-19 + Total alkalinity (eq/kg) = -1.452e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.858e-16 + Electrical balance (eq) = 4.865e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -46001,7 +45507,6 @@ N(5) 1.495e-05 NO3- 1.495e-05 1.426e-05 -4.825 -4.846 -0.021 29.50 Na 3.434e-05 Na+ 3.434e-05 3.278e-05 -4.464 -4.484 -0.020 -1.46 - NaOH 3.279e-22 3.281e-22 -21.484 -21.484 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46062,7 +45567,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.736e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.533e-19 + Total alkalinity (eq/kg) = -5.608e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.557e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46099,7 +45604,6 @@ N(5) 2.719e-05 NO3- 2.719e-05 2.594e-05 -4.566 -4.586 -0.020 29.50 Na 6.383e-05 Na+ 6.383e-05 6.096e-05 -4.195 -4.215 -0.020 -1.46 - NaOH 6.100e-22 6.102e-22 -21.215 -21.215 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46160,9 +45664,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.688e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.806e-19 + Total alkalinity (eq/kg) = -8.902e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.299e-15 + Electrical balance (eq) = 4.300e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -46197,7 +45701,6 @@ N(5) 4.600e-05 NO3- 4.600e-05 4.392e-05 -4.337 -4.357 -0.020 29.50 Na 1.113e-04 Na+ 1.113e-04 1.064e-04 -3.953 -3.973 -0.020 -1.46 - NaOH 1.065e-21 1.065e-21 -20.973 -20.973 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46258,7 +45761,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.615e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.452e-19 + Total alkalinity (eq/kg) = -3.019e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.754e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46295,7 +45798,6 @@ N(5) 7.294e-05 NO3- 7.294e-05 6.970e-05 -4.137 -4.157 -0.020 29.50 Na 1.836e-04 Na+ 1.836e-04 1.756e-04 -3.736 -3.756 -0.019 -1.47 - NaOH 1.759e-21 1.759e-21 -20.755 -20.755 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46356,9 +45858,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.509e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.123e-19 + Total alkalinity (eq/kg) = -4.087e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.249e-15 + Electrical balance (eq) = 4.250e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -46393,7 +45895,6 @@ N(5) 1.098e-04 NO3- 1.098e-04 1.051e-04 -3.959 -3.979 -0.019 29.50 Na 2.884e-04 Na+ 2.884e-04 2.763e-04 -3.540 -3.559 -0.019 -1.47 - NaOH 2.769e-21 2.770e-21 -20.558 -20.557 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46454,9 +45955,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.370e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.008e-19 + Total alkalinity (eq/kg) = -2.489e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.629e-15 + Electrical balance (eq) = 2.628e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -46491,7 +45992,6 @@ N(5) 1.579e-04 NO3- 1.579e-04 1.514e-04 -3.802 -3.820 -0.018 29.49 Na 4.285e-04 Na+ 4.285e-04 4.113e-04 -3.368 -3.386 -0.018 -1.47 - NaOH 4.127e-21 4.128e-21 -20.384 -20.384 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46552,7 +46052,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.211e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.977e-19 + Total alkalinity (eq/kg) = -1.756e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.442e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -46589,7 +46089,6 @@ N(5) 2.180e-04 NO3- 2.180e-04 2.096e-04 -3.661 -3.679 -0.017 29.49 Na 5.938e-04 Na+ 5.938e-04 5.712e-04 -3.226 -3.243 -0.017 -1.47 - NaOH 5.739e-21 5.741e-21 -20.241 -20.241 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46650,9 +46149,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.499e-19 + Total alkalinity (eq/kg) = 3.429e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.550e-16 + Electrical balance (eq) = 8.537e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -46687,7 +46186,6 @@ N(5) 2.898e-04 NO3- 2.898e-04 2.786e-04 -3.538 -3.555 -0.017 29.49 Na 7.180e-04 Na+ 7.180e-04 6.908e-04 -3.144 -3.161 -0.017 -1.47 - NaOH 6.941e-21 6.943e-21 -20.159 -20.158 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46748,9 +46246,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.035e-18 + Total alkalinity (eq/kg) = 2.651e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.456e-16 + Electrical balance (eq) = 5.453e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -46785,7 +46283,6 @@ N(5) 3.721e-04 NO3- 3.721e-04 3.577e-04 -3.429 -3.446 -0.017 29.49 Na 8.239e-04 Na+ 8.239e-04 7.926e-04 -3.084 -3.101 -0.017 -1.47 - NaOH 7.964e-21 7.966e-21 -20.099 -20.099 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46846,9 +46343,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.272e-18 + Total alkalinity (eq/kg) = 6.022e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.324e-16 + Electrical balance (eq) = 3.306e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -46883,7 +46380,6 @@ N(5) 4.625e-04 NO3- 4.625e-04 4.446e-04 -3.335 -3.352 -0.017 29.49 Na 9.022e-04 Na+ 9.022e-04 8.680e-04 -3.045 -3.061 -0.017 -1.47 - NaOH 8.722e-21 8.724e-21 -20.059 -20.059 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -46944,9 +46440,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.645e-18 + Total alkalinity (eq/kg) = 7.802e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.430e-16 + Electrical balance (eq) = 1.417e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -46981,7 +46477,6 @@ N(5) 5.579e-04 NO3- 5.579e-04 5.363e-04 -3.253 -3.271 -0.017 29.49 Na 9.514e-04 Na+ 9.514e-04 9.154e-04 -3.022 -3.038 -0.017 -1.47 - NaOH 9.197e-21 9.200e-21 -20.036 -20.036 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47042,9 +46537,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.475e-18 + Total alkalinity (eq/kg) = 8.972e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.509e-17 + Electrical balance (eq) = -6.697e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -47079,7 +46574,6 @@ N(5) 6.546e-04 NO3- 6.546e-04 6.293e-04 -3.184 -3.201 -0.017 29.49 Na 9.780e-04 Na+ 9.780e-04 9.409e-04 -3.010 -3.026 -0.017 -1.47 - NaOH 9.454e-21 9.456e-21 -20.024 -20.024 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47140,9 +46634,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.100e-18 + Total alkalinity (eq/kg) = 1.649e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.172e-16 + Electrical balance (eq) = -3.183e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -47177,7 +46671,6 @@ N(5) 7.487e-04 NO3- 7.487e-04 7.198e-04 -3.126 -3.143 -0.017 29.49 Na 9.908e-04 Na+ 9.908e-04 9.532e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.577e-21 9.580e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47236,9 +46729,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.444e-18 + Total alkalinity (eq/kg) = 2.208e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.183e-16 + Electrical balance (eq) = -6.203e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -47270,7 +46763,6 @@ N(5) 8.369e-04 NO3- 8.369e-04 8.046e-04 -3.077 -3.094 -0.017 29.49 Na 9.964e-04 Na+ 9.964e-04 9.586e-04 -3.002 -3.018 -0.017 -1.47 - NaOH 9.631e-21 9.634e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47329,9 +46821,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.870e-18 + Total alkalinity (eq/kg) = 2.435e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.615e-16 + Electrical balance (eq) = -9.650e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -47363,7 +46855,6 @@ N(5) 9.162e-04 NO3- 9.162e-04 8.809e-04 -3.038 -3.055 -0.017 29.49 Na 9.987e-04 Na+ 9.987e-04 9.608e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.653e-21 9.656e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47422,9 +46913,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.938e-18 + Total alkalinity (eq/kg) = 2.925e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.346e-15 + Electrical balance (eq) = -1.349e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -47456,7 +46947,6 @@ N(5) 9.849e-04 NO3- 9.849e-04 9.469e-04 -3.007 -3.024 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47515,9 +47005,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.342e-18 + Total alkalinity (eq/kg) = 3.241e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.763e-15 + Electrical balance (eq) = -1.764e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -47549,7 +47039,6 @@ N(5) 1.042e-03 NO3- 1.042e-03 1.002e-03 -2.982 -2.999 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47608,9 +47097,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.810e-18 + Total alkalinity (eq/kg) = 3.362e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.187e-15 + Electrical balance (eq) = -2.188e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -47642,7 +47131,6 @@ N(5) 1.088e-03 NO3- 1.088e-03 1.046e-03 -2.964 -2.981 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47701,7 +47189,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.638e-18 + Total alkalinity (eq/kg) = 2.815e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.589e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -47735,7 +47223,6 @@ N(5) 1.123e-03 NO3- 1.123e-03 1.079e-03 -2.950 -2.967 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47794,7 +47281,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.566e-18 + Total alkalinity (eq/kg) = 2.872e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.931e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -47828,7 +47315,6 @@ N(5) 1.149e-03 NO3- 1.149e-03 1.104e-03 -2.940 -2.957 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47887,9 +47373,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.509e-18 + Total alkalinity (eq/kg) = 2.083e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.176e-15 + Electrical balance (eq) = -3.175e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -47921,7 +47407,6 @@ N(5) 1.167e-03 NO3- 1.167e-03 1.122e-03 -2.933 -2.950 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -47980,9 +47465,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.773e-18 + Total alkalinity (eq/kg) = 2.600e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.278e-15 + Electrical balance (eq) = -3.276e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -48014,7 +47499,6 @@ N(5) 1.180e-03 NO3- 1.180e-03 1.134e-03 -2.928 -2.945 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48073,9 +47557,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.985e-18 + Total alkalinity (eq/kg) = 1.946e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.191e-15 + Electrical balance (eq) = -3.190e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -48107,7 +47591,6 @@ N(5) 1.188e-03 NO3- 1.188e-03 1.142e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48166,9 +47649,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.025e-18 + Total alkalinity (eq/kg) = 1.999e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.893e-15 + Electrical balance (eq) = -2.894e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -48200,7 +47683,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48259,9 +47741,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.476e-18 + Total alkalinity (eq/kg) = 1.389e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.288e-15 + Electrical balance (eq) = -2.290e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -48293,7 +47775,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48352,9 +47833,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.699e-19 + Total alkalinity (eq/kg) = 9.950e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.076e-15 + Electrical balance (eq) = -1.074e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -48386,7 +47867,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48445,9 +47925,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.734e-19 + Total alkalinity (eq/kg) = 4.175e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.361e-16 + Electrical balance (eq) = -5.377e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -48479,7 +47959,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48538,9 +48017,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.007e-19 + Total alkalinity (eq/kg) = 2.898e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.905e-16 + Electrical balance (eq) = -3.916e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -48572,7 +48051,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48631,9 +48109,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.275e-19 + Total alkalinity (eq/kg) = 1.091e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.617e-16 + Electrical balance (eq) = -3.649e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -48665,7 +48143,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48724,9 +48201,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.593e-19 + Total alkalinity (eq/kg) = -3.887e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.542e-16 + Electrical balance (eq) = -3.561e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -48758,7 +48235,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48817,9 +48293,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.328e-19 + Total alkalinity (eq/kg) = 4.444e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.496e-16 + Electrical balance (eq) = -3.512e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -48851,7 +48327,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -48910,9 +48385,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.619e-19 + Total alkalinity (eq/kg) = -1.962e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.475e-16 + Electrical balance (eq) = -3.476e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -48944,7 +48419,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49003,9 +48477,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.159e-19 + Total alkalinity (eq/kg) = -1.127e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.453e-16 + Electrical balance (eq) = -3.457e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -49037,7 +48511,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49096,9 +48569,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.865e-19 + Total alkalinity (eq/kg) = -2.225e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.420e-16 + Electrical balance (eq) = -3.425e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -49130,7 +48603,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49189,9 +48661,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.200e-18 + Total alkalinity (eq/kg) = -1.080e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.419e-16 + Electrical balance (eq) = -3.418e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -49223,7 +48695,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49282,9 +48753,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.608e-19 + Total alkalinity (eq/kg) = -1.135e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.417e-16 + Electrical balance (eq) = -3.414e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -49316,7 +48787,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49375,9 +48845,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.425e-19 + Total alkalinity (eq/kg) = -1.039e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.414e-16 + Electrical balance (eq) = -3.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -49409,7 +48879,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49468,9 +48937,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.023e-19 + Total alkalinity (eq/kg) = -8.530e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.410e-16 + Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -49502,7 +48971,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49561,9 +49029,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.150e-19 + Total alkalinity (eq/kg) = -5.543e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.413e-16 + Electrical balance (eq) = -3.409e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -49595,7 +49063,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49635,7 +49102,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -49666,7 +49133,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49793,9 +49259,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.785e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.004e-18 + Total alkalinity (eq/kg) = -1.414e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.956e-16 + Electrical balance (eq) = 4.973e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -49830,7 +49296,6 @@ N(5) 6.341e-06 NO3- 6.341e-06 6.046e-06 -5.198 -5.219 -0.021 29.50 Na 1.472e-05 Na+ 1.472e-05 1.405e-05 -4.832 -4.852 -0.020 -1.46 - NaOH 1.405e-22 1.406e-22 -21.852 -21.852 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49891,9 +49356,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.774e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.754e-19 + Total alkalinity (eq/kg) = -7.738e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.112e-15 + Electrical balance (eq) = 1.114e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -49928,7 +49393,6 @@ N(5) 1.090e-05 NO3- 1.090e-05 1.039e-05 -4.963 -4.983 -0.021 29.50 Na 2.566e-05 Na+ 2.566e-05 2.450e-05 -4.591 -4.611 -0.020 -1.46 - NaOH 2.451e-22 2.452e-22 -21.611 -21.611 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -49989,9 +49453,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.751e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.798e-19 + Total alkalinity (eq/kg) = -1.002e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.649e-15 + Electrical balance (eq) = 2.651e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -50026,7 +49490,6 @@ N(5) 1.996e-05 NO3- 1.996e-05 1.904e-05 -4.700 -4.720 -0.020 29.50 Na 4.796e-05 Na+ 4.796e-05 4.579e-05 -4.319 -4.339 -0.020 -1.46 - NaOH 4.581e-22 4.583e-22 -21.339 -21.339 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50087,9 +49550,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.714e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.602e-19 + Total alkalinity (eq/kg) = -6.448e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.665e-15 + Electrical balance (eq) = 5.667e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -50124,7 +49587,6 @@ N(5) 3.407e-05 NO3- 3.407e-05 3.251e-05 -4.468 -4.488 -0.020 29.50 Na 8.427e-05 Na+ 8.427e-05 8.050e-05 -4.074 -4.094 -0.020 -1.46 - NaOH 8.057e-22 8.060e-22 -21.094 -21.094 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50185,7 +49647,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.655e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.029e-21 + Total alkalinity (eq/kg) = -7.140e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.309e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -50222,7 +49684,6 @@ N(5) 5.459e-05 NO3- 5.459e-05 5.214e-05 -4.263 -4.283 -0.020 29.50 Na 1.405e-04 Na+ 1.405e-04 1.343e-04 -3.852 -3.872 -0.020 -1.46 - NaOH 1.345e-21 1.345e-21 -20.871 -20.871 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50283,7 +49744,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.566e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.728e-19 + Total alkalinity (eq/kg) = -5.547e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.514e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -50320,7 +49781,6 @@ N(5) 8.320e-05 NO3- 8.320e-05 7.956e-05 -4.080 -4.099 -0.019 29.50 Na 2.241e-04 Na+ 2.241e-04 2.145e-04 -3.650 -3.669 -0.019 -1.47 - NaOH 2.149e-21 2.150e-21 -20.668 -20.668 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50381,7 +49841,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.447e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.413e-19 + Total alkalinity (eq/kg) = -8.320e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.437e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -50418,7 +49878,6 @@ N(5) 1.214e-04 NO3- 1.214e-04 1.162e-04 -3.916 -3.935 -0.019 29.50 Na 3.393e-04 Na+ 3.393e-04 3.253e-04 -3.469 -3.488 -0.018 -1.47 - NaOH 3.262e-21 3.263e-21 -20.487 -20.486 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50479,7 +49938,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.318e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.148e-19 + Total alkalinity (eq/kg) = -6.053e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.918e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -50516,7 +49975,6 @@ N(5) 1.701e-04 NO3- 1.701e-04 1.633e-04 -3.769 -3.787 -0.018 29.49 Na 4.815e-04 Na+ 4.815e-04 4.624e-04 -3.317 -3.335 -0.018 -1.47 - NaOH 4.642e-21 4.643e-21 -20.333 -20.333 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50577,7 +50035,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.162e-19 + Total alkalinity (eq/kg) = -1.076e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.882e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -50614,7 +50072,6 @@ N(5) 2.299e-04 NO3- 2.299e-04 2.210e-04 -3.638 -3.656 -0.017 29.49 Na 6.367e-04 Na+ 6.367e-04 6.126e-04 -3.196 -3.213 -0.017 -1.47 - NaOH 6.155e-21 6.157e-21 -20.211 -20.211 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50675,9 +50132,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.844e-19 + Total alkalinity (eq/kg) = -2.287e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.162e-15 + Electrical balance (eq) = 1.161e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -50712,7 +50169,6 @@ N(5) 3.004e-04 NO3- 3.004e-04 2.888e-04 -3.522 -3.539 -0.017 29.49 Na 7.518e-04 Na+ 7.518e-04 7.233e-04 -3.124 -3.141 -0.017 -1.47 - NaOH 7.268e-21 7.270e-21 -20.139 -20.138 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50773,9 +50229,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.358e-19 + Total alkalinity (eq/kg) = 8.545e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.863e-16 + Electrical balance (eq) = 6.858e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -50810,7 +50266,6 @@ N(5) 3.803e-04 NO3- 3.803e-04 3.656e-04 -3.420 -3.437 -0.017 29.49 Na 8.484e-04 Na+ 8.484e-04 8.162e-04 -3.071 -3.088 -0.017 -1.47 - NaOH 8.201e-21 8.203e-21 -20.086 -20.086 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50871,9 +50326,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.396e-18 + Total alkalinity (eq/kg) = 1.177e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.754e-16 + Electrical balance (eq) = 3.739e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -50908,7 +50363,6 @@ N(5) 4.675e-04 NO3- 4.675e-04 4.495e-04 -3.330 -3.347 -0.017 29.49 Na 9.171e-04 Na+ 9.171e-04 8.824e-04 -3.038 -3.054 -0.017 -1.47 - NaOH 8.866e-21 8.868e-21 -20.052 -20.052 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -50969,9 +50423,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.189e-18 + Total alkalinity (eq/kg) = 7.926e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.354e-16 + Electrical balance (eq) = 1.337e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -51006,7 +50460,6 @@ N(5) 5.592e-04 NO3- 5.592e-04 5.376e-04 -3.252 -3.270 -0.017 29.49 Na 9.591e-04 Na+ 9.591e-04 9.227e-04 -3.018 -3.035 -0.017 -1.47 - NaOH 9.271e-21 9.273e-21 -20.033 -20.033 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51067,9 +50520,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.017e-18 + Total alkalinity (eq/kg) = 1.260e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.889e-17 + Electrical balance (eq) = -1.007e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51104,7 +50557,6 @@ N(5) 6.520e-04 NO3- 6.520e-04 6.269e-04 -3.186 -3.203 -0.017 29.49 Na 9.814e-04 Na+ 9.814e-04 9.442e-04 -3.008 -3.025 -0.017 -1.47 - NaOH 9.487e-21 9.489e-21 -20.023 -20.023 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51165,9 +50617,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.825e-18 + Total alkalinity (eq/kg) = 1.474e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.600e-16 + Electrical balance (eq) = -3.611e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51202,7 +50654,6 @@ N(5) 7.427e-04 NO3- 7.427e-04 7.140e-04 -3.129 -3.146 -0.017 29.49 Na 9.921e-04 Na+ 9.921e-04 9.545e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.590e-21 9.593e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51261,9 +50712,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.301e-18 + Total alkalinity (eq/kg) = 2.108e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.573e-16 + Electrical balance (eq) = -6.583e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51295,7 +50746,6 @@ N(5) 8.280e-04 NO3- 8.280e-04 7.961e-04 -3.082 -3.099 -0.017 29.49 Na 9.968e-04 Na+ 9.968e-04 9.590e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.636e-21 9.638e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51354,9 +50804,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.833e-18 + Total alkalinity (eq/kg) = 2.271e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.939e-16 + Electrical balance (eq) = -9.952e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51388,7 +50838,6 @@ N(5) 9.054e-04 NO3- 9.054e-04 8.705e-04 -3.043 -3.060 -0.017 29.49 Na 9.988e-04 Na+ 9.988e-04 9.609e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.654e-21 9.657e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51447,9 +50896,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.872e-18 + Total alkalinity (eq/kg) = 2.717e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.365e-15 + Electrical balance (eq) = -1.366e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51481,7 +50930,6 @@ N(5) 9.731e-04 NO3- 9.731e-04 9.356e-04 -3.012 -3.029 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51540,9 +50988,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.976e-18 + Total alkalinity (eq/kg) = 3.206e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.761e-15 + Electrical balance (eq) = -1.762e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51574,7 +51022,6 @@ N(5) 1.030e-03 NO3- 1.030e-03 9.905e-04 -2.987 -3.004 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51633,9 +51080,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.778e-18 + Total alkalinity (eq/kg) = 3.708e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.161e-15 + Electrical balance (eq) = -2.162e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51667,7 +51114,6 @@ N(5) 1.077e-03 NO3- 1.077e-03 1.035e-03 -2.968 -2.985 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51726,7 +51172,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.354e-18 + Total alkalinity (eq/kg) = 3.319e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.538e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -51760,7 +51206,6 @@ N(5) 1.113e-03 NO3- 1.113e-03 1.070e-03 -2.953 -2.970 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51819,7 +51264,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.768e-18 + Total alkalinity (eq/kg) = 3.461e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.860e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -51853,7 +51298,6 @@ N(5) 1.141e-03 NO3- 1.141e-03 1.097e-03 -2.943 -2.960 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -51912,9 +51356,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.835e-18 + Total alkalinity (eq/kg) = 3.004e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.104e-15 + Electrical balance (eq) = -3.102e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -51946,7 +51390,6 @@ N(5) 1.161e-03 NO3- 1.161e-03 1.116e-03 -2.935 -2.952 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52005,9 +51448,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.960e-18 + Total alkalinity (eq/kg) = 2.947e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.244e-15 + Electrical balance (eq) = -3.243e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -52039,7 +51482,6 @@ N(5) 1.175e-03 NO3- 1.175e-03 1.130e-03 -2.930 -2.947 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52098,7 +51540,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.293e-18 + Total alkalinity (eq/kg) = 2.736e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.255e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -52132,7 +51574,6 @@ N(5) 1.185e-03 NO3- 1.185e-03 1.139e-03 -2.926 -2.944 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52191,7 +51632,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.083e-18 + Total alkalinity (eq/kg) = 2.321e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.108e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -52225,7 +51666,6 @@ N(5) 1.191e-03 NO3- 1.191e-03 1.145e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52284,7 +51724,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.500e-18 + Total alkalinity (eq/kg) = 1.770e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.769e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -52318,7 +51758,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52377,9 +51816,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.357e-18 + Total alkalinity (eq/kg) = 1.433e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.261e-15 + Electrical balance (eq) = -2.262e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -52411,7 +51850,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52470,9 +51908,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.197e-19 + Total alkalinity (eq/kg) = 1.489e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.632e-15 + Electrical balance (eq) = -1.633e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -52504,7 +51942,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52563,9 +52000,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.339e-19 + Total alkalinity (eq/kg) = 7.175e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.269e-16 + Electrical balance (eq) = -7.263e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -52597,7 +52034,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52656,9 +52092,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.601e-19 + Total alkalinity (eq/kg) = 7.219e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.240e-16 + Electrical balance (eq) = -4.255e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -52690,7 +52126,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52749,9 +52184,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.490e-19 + Total alkalinity (eq/kg) = 3.184e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.668e-16 + Electrical balance (eq) = -3.695e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -52783,7 +52218,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52842,9 +52276,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.685e-19 + Total alkalinity (eq/kg) = 1.343e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.528e-16 + Electrical balance (eq) = -3.541e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -52876,7 +52310,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -52935,9 +52368,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.874e-19 + Total alkalinity (eq/kg) = 3.677e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.484e-16 + Electrical balance (eq) = -3.490e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -52969,7 +52402,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53028,9 +52460,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.825e-19 + Total alkalinity (eq/kg) = 5.413e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.447e-16 + Electrical balance (eq) = -3.461e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -53062,7 +52494,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53121,9 +52552,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.006e-19 + Total alkalinity (eq/kg) = -5.538e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.437e-16 + Electrical balance (eq) = -3.439e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -53155,7 +52586,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53214,9 +52644,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.406e-19 + Total alkalinity (eq/kg) = -3.412e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.432e-16 + Electrical balance (eq) = -3.435e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -53248,7 +52678,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53307,9 +52736,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.926e-19 + Total alkalinity (eq/kg) = -1.230e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.415e-16 + Electrical balance (eq) = -3.419e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -53341,7 +52770,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53400,9 +52828,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.037e-19 + Total alkalinity (eq/kg) = -1.053e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.416e-16 + Electrical balance (eq) = -3.412e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -53434,7 +52862,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53493,9 +52920,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.646e-19 + Total alkalinity (eq/kg) = -6.674e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.413e-16 + Electrical balance (eq) = -3.412e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -53527,7 +52954,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53567,7 +52993,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -53598,7 +53024,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53725,9 +53150,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.769e-19 + Total alkalinity (eq/kg) = -2.676e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.751e-16 + Electrical balance (eq) = 6.769e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -53762,7 +53187,6 @@ N(5) 4.620e-06 NO3- 4.620e-06 4.405e-06 -5.335 -5.356 -0.021 29.50 Na 1.100e-05 Na+ 1.100e-05 1.050e-05 -4.959 -4.979 -0.020 -1.46 - NaOH 1.050e-22 1.050e-22 -21.979 -21.979 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53823,9 +53247,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.780e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.636e-19 + Total alkalinity (eq/kg) = -5.827e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.426e-15 + Electrical balance (eq) = 1.429e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -53860,7 +53284,6 @@ N(5) 7.978e-06 NO3- 7.978e-06 7.607e-06 -5.098 -5.119 -0.021 29.50 Na 1.924e-05 Na+ 1.924e-05 1.836e-05 -4.716 -4.736 -0.020 -1.46 - NaOH 1.837e-22 1.838e-22 -21.736 -21.736 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -53921,9 +53344,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.762e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.675e-19 + Total alkalinity (eq/kg) = -3.582e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.246e-15 + Electrical balance (eq) = 3.248e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -53958,7 +53381,6 @@ N(5) 1.470e-05 NO3- 1.470e-05 1.402e-05 -4.833 -4.853 -0.021 29.50 Na 3.614e-05 Na+ 3.614e-05 3.450e-05 -4.442 -4.462 -0.020 -1.46 - NaOH 3.452e-22 3.453e-22 -21.462 -21.462 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54019,9 +53441,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.733e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.485e-19 + Total alkalinity (eq/kg) = -4.847e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.518e-15 + Electrical balance (eq) = 6.520e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -54056,7 +53478,6 @@ N(5) 2.528e-05 NO3- 2.528e-05 2.412e-05 -4.597 -4.618 -0.020 29.50 Na 6.387e-05 Na+ 6.387e-05 6.100e-05 -4.195 -4.215 -0.020 -1.46 - NaOH 6.104e-22 6.107e-22 -21.214 -21.214 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54117,9 +53538,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.687e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.707e-19 + Total alkalinity (eq/kg) = -7.615e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.133e-15 + Electrical balance (eq) = 7.132e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -54154,7 +53575,6 @@ N(5) 4.090e-05 NO3- 4.090e-05 3.905e-05 -4.388 -4.408 -0.020 29.50 Na 1.071e-04 Na+ 1.071e-04 1.023e-04 -3.970 -3.990 -0.020 -1.46 - NaOH 1.024e-21 1.025e-21 -20.990 -20.989 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54215,7 +53635,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.617e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.316e-19 + Total alkalinity (eq/kg) = -4.807e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 7.468e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -54252,7 +53672,6 @@ N(5) 6.302e-05 NO3- 6.302e-05 6.022e-05 -4.201 -4.220 -0.020 29.50 Na 1.726e-04 Na+ 1.726e-04 1.650e-04 -3.763 -3.782 -0.019 -1.47 - NaOH 1.653e-21 1.654e-21 -20.782 -20.782 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54313,9 +53732,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.514e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.292e-20 + Total alkalinity (eq/kg) = -1.686e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.115e-15 + Electrical balance (eq) = 7.114e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -54350,7 +53769,6 @@ N(5) 9.306e-05 NO3- 9.306e-05 8.905e-05 -4.031 -4.050 -0.019 29.50 Na 2.679e-04 Na+ 2.679e-04 2.566e-04 -3.572 -3.591 -0.019 -1.47 - NaOH 2.571e-21 2.572e-21 -20.590 -20.590 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54411,7 +53829,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.376e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.476e-19 + Total alkalinity (eq/kg) = -9.901e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 5.109e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -54448,7 +53866,6 @@ N(5) 1.322e-04 NO3- 1.322e-04 1.268e-04 -3.879 -3.897 -0.018 29.49 Na 3.964e-04 Na+ 3.964e-04 3.804e-04 -3.402 -3.420 -0.018 -1.47 - NaOH 3.817e-21 3.818e-21 -20.418 -20.418 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54509,9 +53926,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.221e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.230e-19 + Total alkalinity (eq/kg) = -3.342e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.431e-15 + Electrical balance (eq) = 3.433e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -54546,7 +53963,6 @@ N(5) 1.814e-04 NO3- 1.814e-04 1.743e-04 -3.741 -3.759 -0.017 29.49 Na 5.492e-04 Na+ 5.492e-04 5.282e-04 -3.260 -3.277 -0.017 -1.47 - NaOH 5.306e-21 5.308e-21 -20.275 -20.275 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54607,7 +54023,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.282e-20 + Total alkalinity (eq/kg) = -2.988e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.239e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -54644,7 +54060,6 @@ N(5) 2.408e-04 NO3- 2.408e-04 2.315e-04 -3.618 -3.635 -0.017 29.49 Na 6.737e-04 Na+ 6.737e-04 6.481e-04 -3.172 -3.188 -0.017 -1.47 - NaOH 6.512e-21 6.514e-21 -20.186 -20.186 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54705,7 +54120,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.736e-19 + Total alkalinity (eq/kg) = -1.641e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.420e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -54742,7 +54157,6 @@ N(5) 3.099e-04 NO3- 3.099e-04 2.980e-04 -3.509 -3.526 -0.017 29.49 Na 7.829e-04 Na+ 7.829e-04 7.532e-04 -3.106 -3.123 -0.017 -1.47 - NaOH 7.568e-21 7.570e-21 -20.121 -20.121 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54803,9 +54217,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.130e-19 + Total alkalinity (eq/kg) = -4.936e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.565e-16 + Electrical balance (eq) = 8.561e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -54840,7 +54254,6 @@ N(5) 3.877e-04 NO3- 3.877e-04 3.727e-04 -3.412 -3.429 -0.017 29.49 Na 8.700e-04 Na+ 8.700e-04 8.371e-04 -3.060 -3.077 -0.017 -1.47 - NaOH 8.411e-21 8.413e-21 -20.075 -20.075 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54901,9 +54314,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.379e-18 + Total alkalinity (eq/kg) = 7.233e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.594e-16 + Electrical balance (eq) = 4.591e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -54938,7 +54351,6 @@ N(5) 4.720e-04 NO3- 4.720e-04 4.538e-04 -3.326 -3.343 -0.017 29.49 Na 9.300e-04 Na+ 9.300e-04 8.947e-04 -3.032 -3.048 -0.017 -1.47 - NaOH 8.990e-21 8.992e-21 -20.046 -20.046 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -54999,9 +54411,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.617e-18 + Total alkalinity (eq/kg) = 6.093e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.539e-16 + Electrical balance (eq) = 1.536e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -55036,7 +54448,6 @@ N(5) 5.604e-04 NO3- 5.604e-04 5.388e-04 -3.252 -3.269 -0.017 29.49 Na 9.656e-04 Na+ 9.656e-04 9.290e-04 -3.015 -3.032 -0.017 -1.47 - NaOH 9.334e-21 9.336e-21 -20.030 -20.030 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55097,9 +54508,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.149e-18 + Total alkalinity (eq/kg) = 1.644e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.170e-16 + Electrical balance (eq) = -1.179e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55134,7 +54545,6 @@ N(5) 6.498e-04 NO3- 6.498e-04 6.248e-04 -3.187 -3.204 -0.017 29.49 Na 9.843e-04 Na+ 9.843e-04 9.470e-04 -3.007 -3.024 -0.017 -1.47 - NaOH 9.515e-21 9.517e-21 -20.022 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55193,9 +54603,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.026e-18 + Total alkalinity (eq/kg) = 2.132e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.921e-16 + Electrical balance (eq) = -3.923e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55227,7 +54637,6 @@ N(5) 7.373e-04 NO3- 7.373e-04 7.089e-04 -3.132 -3.149 -0.017 29.49 Na 9.933e-04 Na+ 9.933e-04 9.556e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.601e-21 9.604e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55286,9 +54695,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.391e-18 + Total alkalinity (eq/kg) = 2.091e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.919e-16 + Electrical balance (eq) = -6.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55320,7 +54729,6 @@ N(5) 8.200e-04 NO3- 8.200e-04 7.884e-04 -3.086 -3.103 -0.017 29.49 Na 9.973e-04 Na+ 9.973e-04 9.595e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.640e-21 9.642e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55379,7 +54787,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.861e-18 + Total alkalinity (eq/kg) = 2.514e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.022e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -55413,7 +54821,6 @@ N(5) 8.956e-04 NO3- 8.956e-04 8.611e-04 -3.048 -3.065 -0.017 29.49 Na 9.989e-04 Na+ 9.989e-04 9.611e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.656e-21 9.658e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55472,9 +54879,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.906e-18 + Total alkalinity (eq/kg) = 3.087e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.380e-15 + Electrical balance (eq) = -1.381e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55506,7 +54913,6 @@ N(5) 9.624e-04 NO3- 9.624e-04 9.252e-04 -3.017 -3.034 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55565,9 +54971,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.552e-18 + Total alkalinity (eq/kg) = 3.550e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.756e-15 + Electrical balance (eq) = -1.758e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55599,7 +55005,6 @@ N(5) 1.019e-03 NO3- 1.019e-03 9.801e-04 -2.992 -3.009 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55658,9 +55063,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.702e-18 + Total alkalinity (eq/kg) = 3.840e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.133e-15 + Electrical balance (eq) = -2.134e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55692,7 +55097,6 @@ N(5) 1.066e-03 NO3- 1.066e-03 1.025e-03 -2.972 -2.989 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55751,9 +55155,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.212e-18 + Total alkalinity (eq/kg) = 3.809e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.485e-15 + Electrical balance (eq) = -2.484e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55785,7 +55189,6 @@ N(5) 1.104e-03 NO3- 1.104e-03 1.061e-03 -2.957 -2.974 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55844,7 +55247,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.295e-18 + Total alkalinity (eq/kg) = 4.105e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.785e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -55878,7 +55281,6 @@ N(5) 1.133e-03 NO3- 1.133e-03 1.089e-03 -2.946 -2.963 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -55937,9 +55339,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.230e-18 + Total alkalinity (eq/kg) = 4.066e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.016e-15 + Electrical balance (eq) = -3.014e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -55971,7 +55373,6 @@ N(5) 1.155e-03 NO3- 1.155e-03 1.110e-03 -2.938 -2.955 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56030,9 +55431,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.641e-18 + Total alkalinity (eq/kg) = 3.448e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.161e-15 + Electrical balance (eq) = -3.160e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -56064,7 +55465,6 @@ N(5) 1.170e-03 NO3- 1.170e-03 1.125e-03 -2.932 -2.949 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56123,9 +55523,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.315e-18 + Total alkalinity (eq/kg) = 3.136e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.208e-15 + Electrical balance (eq) = -3.206e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -56157,7 +55557,6 @@ N(5) 1.181e-03 NO3- 1.181e-03 1.135e-03 -2.928 -2.945 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56216,9 +55615,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.450e-18 + Total alkalinity (eq/kg) = 2.371e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.139e-15 + Electrical balance (eq) = -3.138e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -56250,7 +55649,6 @@ N(5) 1.188e-03 NO3- 1.188e-03 1.142e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56309,7 +55707,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.925e-18 + Total alkalinity (eq/kg) = 1.910e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.942e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -56343,7 +55741,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56402,7 +55799,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.276e-18 + Total alkalinity (eq/kg) = 1.708e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.611e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -56436,7 +55833,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56495,9 +55891,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.433e-18 + Total alkalinity (eq/kg) = 1.432e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.159e-15 + Electrical balance (eq) = -2.158e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -56529,7 +55925,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56588,9 +55983,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.752e-19 + Total alkalinity (eq/kg) = 1.187e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.591e-15 + Electrical balance (eq) = -1.590e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -56622,7 +56017,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56681,9 +56075,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.103e-19 + Total alkalinity (eq/kg) = 6.777e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.045e-15 + Electrical balance (eq) = -1.047e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -56715,7 +56109,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56774,9 +56167,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.643e-19 + Total alkalinity (eq/kg) = 3.405e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.876e-16 + Electrical balance (eq) = -4.894e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -56808,7 +56201,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56867,9 +56259,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.058e-19 + Total alkalinity (eq/kg) = 3.414e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.797e-16 + Electrical balance (eq) = -3.821e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -56901,7 +56293,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -56960,9 +56351,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.554e-19 + Total alkalinity (eq/kg) = -9.575e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.542e-16 + Electrical balance (eq) = -3.550e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -56994,7 +56385,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57053,9 +56443,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.022e-19 + Total alkalinity (eq/kg) = -3.165e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.474e-16 + Electrical balance (eq) = -3.485e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -57087,7 +56477,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57146,9 +56535,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.281e-19 + Total alkalinity (eq/kg) = -5.950e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.440e-16 + Electrical balance (eq) = -3.453e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -57180,7 +56569,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57239,9 +56627,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.814e-19 + Total alkalinity (eq/kg) = -2.226e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.432e-16 + Electrical balance (eq) = -3.445e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -57273,7 +56661,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57332,9 +56719,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.826e-19 + Total alkalinity (eq/kg) = -2.265e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.421e-16 + Electrical balance (eq) = -3.424e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -57366,7 +56753,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57425,9 +56811,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.266e-20 + Total alkalinity (eq/kg) = -6.765e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.431e-16 + Electrical balance (eq) = -3.419e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -57459,7 +56845,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57499,7 +56884,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -57530,7 +56915,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57657,7 +57041,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.919e-19 + Total alkalinity (eq/kg) = -4.752e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.115e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -57694,7 +57078,6 @@ N(5) 3.380e-06 NO3- 3.380e-06 3.222e-06 -5.471 -5.492 -0.021 29.50 Na 8.241e-06 Na+ 8.241e-06 7.865e-06 -5.084 -5.104 -0.020 -1.46 - NaOH 7.866e-23 7.870e-23 -22.104 -22.104 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57755,9 +57138,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.785e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.143e-19 + Total alkalinity (eq/kg) = 3.248e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.917e-15 + Electrical balance (eq) = 1.918e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -57792,7 +57175,6 @@ N(5) 5.859e-06 NO3- 5.859e-06 5.586e-06 -5.232 -5.253 -0.021 29.50 Na 1.446e-05 Na+ 1.446e-05 1.380e-05 -4.840 -4.860 -0.020 -1.46 - NaOH 1.381e-22 1.381e-22 -21.860 -21.860 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57853,9 +57235,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.771e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.470e-19 + Total alkalinity (eq/kg) = 4.075e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.705e-15 + Electrical balance (eq) = 3.707e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -57890,7 +57272,6 @@ N(5) 1.085e-05 NO3- 1.085e-05 1.035e-05 -4.964 -4.985 -0.021 29.50 Na 2.727e-05 Na+ 2.727e-05 2.604e-05 -4.564 -4.584 -0.020 -1.46 - NaOH 2.604e-22 2.606e-22 -21.584 -21.584 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -57951,9 +57332,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.748e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.632e-19 + Total alkalinity (eq/kg) = -2.447e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.835e-15 + Electrical balance (eq) = 6.837e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -57988,7 +57369,6 @@ N(5) 1.880e-05 NO3- 1.880e-05 1.793e-05 -4.726 -4.746 -0.020 29.50 Na 4.847e-05 Na+ 4.847e-05 4.628e-05 -4.315 -4.335 -0.020 -1.46 - NaOH 4.630e-22 4.632e-22 -21.334 -21.334 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58049,9 +57429,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.712e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.141e-19 + Total alkalinity (eq/kg) = -4.542e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.698e-15 + Electrical balance (eq) = 7.700e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -58086,7 +57466,6 @@ N(5) 3.067e-05 NO3- 3.067e-05 2.927e-05 -4.513 -4.534 -0.020 29.50 Na 8.183e-05 Na+ 8.183e-05 7.817e-05 -4.087 -4.107 -0.020 -1.46 - NaOH 7.823e-22 7.827e-22 -21.107 -21.106 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58147,7 +57526,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.655e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.063e-18 + Total alkalinity (eq/kg) = -2.937e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 8.233e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -58184,7 +57563,6 @@ N(5) 4.772e-05 NO3- 4.772e-05 4.557e-05 -4.321 -4.341 -0.020 29.50 Na 1.330e-04 Na+ 1.330e-04 1.271e-04 -3.876 -3.896 -0.020 -1.46 - NaOH 1.273e-21 1.273e-21 -20.895 -20.895 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58245,7 +57623,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.571e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.068e-19 + Total alkalinity (eq/kg) = -2.510e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 8.456e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -58282,7 +57660,6 @@ N(5) 7.125e-05 NO3- 7.125e-05 6.813e-05 -4.147 -4.167 -0.019 29.50 Na 2.086e-04 Na+ 2.086e-04 1.996e-04 -3.681 -3.700 -0.019 -1.47 - NaOH 2.000e-21 2.000e-21 -20.699 -20.699 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58343,9 +57720,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.458e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.194e-19 + Total alkalinity (eq/kg) = 9.215e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.753e-15 + Electrical balance (eq) = 6.752e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -58380,7 +57757,6 @@ N(5) 1.025e-04 NO3- 1.025e-04 9.816e-05 -3.989 -4.008 -0.019 29.50 Na 3.133e-04 Na+ 3.133e-04 3.003e-04 -3.504 -3.522 -0.018 -1.47 - NaOH 3.012e-21 3.013e-21 -20.521 -20.521 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58441,7 +57817,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.329e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.184e-19 + Total alkalinity (eq/kg) = 4.305e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.179e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -58478,7 +57854,6 @@ N(5) 1.425e-04 NO3- 1.425e-04 1.367e-04 -3.846 -3.864 -0.018 29.49 Na 4.455e-04 Na+ 4.455e-04 4.278e-04 -3.351 -3.369 -0.018 -1.47 - NaOH 4.294e-21 4.296e-21 -20.367 -20.367 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58539,7 +57914,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.028e-19 + Total alkalinity (eq/kg) = -2.289e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.789e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -58576,7 +57951,6 @@ N(5) 1.918e-04 NO3- 1.918e-04 1.844e-04 -3.717 -3.734 -0.017 29.49 Na 5.950e-04 Na+ 5.950e-04 5.725e-04 -3.225 -3.242 -0.017 -1.47 - NaOH 5.752e-21 5.754e-21 -20.240 -20.240 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58637,9 +58011,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.151e-19 + Total alkalinity (eq/kg) = -1.497e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.610e-15 + Electrical balance (eq) = 2.611e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -58674,7 +58048,6 @@ N(5) 2.507e-04 NO3- 2.507e-04 2.411e-04 -3.601 -3.618 -0.017 29.49 Na 7.094e-04 Na+ 7.094e-04 6.825e-04 -3.149 -3.166 -0.017 -1.47 - NaOH 6.858e-21 6.860e-21 -20.164 -20.164 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58735,7 +58108,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.420e-19 + Total alkalinity (eq/kg) = 1.057e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.705e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -58772,7 +58145,6 @@ N(5) 3.186e-04 NO3- 3.186e-04 3.063e-04 -3.497 -3.514 -0.017 29.49 Na 8.110e-04 Na+ 8.110e-04 7.803e-04 -3.091 -3.108 -0.017 -1.47 - NaOH 7.840e-21 7.842e-21 -20.106 -20.106 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58833,9 +58205,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.816e-19 + Total alkalinity (eq/kg) = 1.001e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.066e-15 + Electrical balance (eq) = 1.065e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -58870,7 +58242,6 @@ N(5) 3.944e-04 NO3- 3.944e-04 3.791e-04 -3.404 -3.421 -0.017 29.49 Na 8.891e-04 Na+ 8.891e-04 8.554e-04 -3.051 -3.068 -0.017 -1.47 - NaOH 8.594e-21 8.597e-21 -20.066 -20.066 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -58931,9 +58302,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.239e-18 + Total alkalinity (eq/kg) = 1.809e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.150e-16 + Electrical balance (eq) = 6.151e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -58968,7 +58339,6 @@ N(5) 4.761e-04 NO3- 4.761e-04 4.577e-04 -3.322 -3.339 -0.017 29.49 Na 9.410e-04 Na+ 9.410e-04 9.053e-04 -3.026 -3.043 -0.017 -1.47 - NaOH 9.096e-21 9.099e-21 -20.041 -20.041 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59029,9 +58399,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.086e-18 + Total alkalinity (eq/kg) = 6.163e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.622e-16 + Electrical balance (eq) = 2.625e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -59066,7 +58436,6 @@ N(5) 5.615e-04 NO3- 5.615e-04 5.398e-04 -3.251 -3.268 -0.017 29.49 Na 9.711e-04 Na+ 9.711e-04 9.343e-04 -3.013 -3.030 -0.017 -1.47 - NaOH 9.387e-21 9.390e-21 -20.027 -20.027 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59127,9 +58496,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.213e-18 + Total alkalinity (eq/kg) = 1.903e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.121e-17 + Electrical balance (eq) = -6.150e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59164,7 +58533,6 @@ N(5) 6.479e-04 NO3- 6.479e-04 6.229e-04 -3.189 -3.206 -0.017 29.49 Na 9.868e-04 Na+ 9.868e-04 9.494e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.539e-21 9.541e-21 -20.021 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59223,9 +58591,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.364e-18 + Total alkalinity (eq/kg) = 2.438e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.838e-16 + Electrical balance (eq) = -3.842e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59257,7 +58625,6 @@ N(5) 7.325e-04 NO3- 7.325e-04 7.042e-04 -3.135 -3.152 -0.017 29.49 Na 9.943e-04 Na+ 9.943e-04 9.566e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.611e-21 9.614e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59316,9 +58683,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.946e-18 + Total alkalinity (eq/kg) = 2.654e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.094e-16 + Electrical balance (eq) = -7.100e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59350,7 +58717,6 @@ N(5) 8.128e-04 NO3- 8.128e-04 7.814e-04 -3.090 -3.107 -0.017 29.49 Na 9.976e-04 Na+ 9.976e-04 9.598e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.643e-21 9.646e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59409,9 +58775,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.877e-18 + Total alkalinity (eq/kg) = 2.331e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.042e-15 + Electrical balance (eq) = -1.044e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59443,7 +58809,6 @@ N(5) 8.867e-04 NO3- 8.867e-04 8.524e-04 -3.052 -3.069 -0.017 29.49 Na 9.991e-04 Na+ 9.991e-04 9.612e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.657e-21 9.660e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59502,9 +58867,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.173e-18 + Total alkalinity (eq/kg) = 3.058e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.392e-15 + Electrical balance (eq) = -1.393e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59536,7 +58901,6 @@ N(5) 9.524e-04 NO3- 9.524e-04 9.157e-04 -3.021 -3.038 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59595,9 +58959,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.845e-18 + Total alkalinity (eq/kg) = 3.643e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.750e-15 + Electrical balance (eq) = -1.752e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59629,7 +58993,6 @@ N(5) 1.009e-03 NO3- 1.009e-03 9.703e-04 -2.996 -3.013 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59688,9 +59051,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.018e-18 + Total alkalinity (eq/kg) = 4.263e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.105e-15 + Electrical balance (eq) = -2.107e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59722,7 +59085,6 @@ N(5) 1.057e-03 NO3- 1.057e-03 1.016e-03 -2.976 -2.993 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59781,7 +59143,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.668e-18 + Total alkalinity (eq/kg) = 4.907e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.433e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -59815,7 +59177,6 @@ N(5) 1.095e-03 NO3- 1.095e-03 1.053e-03 -2.961 -2.978 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59874,9 +59235,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.247e-18 + Total alkalinity (eq/kg) = 4.033e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.711e-15 + Electrical balance (eq) = -2.712e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -59908,7 +59269,6 @@ N(5) 1.125e-03 NO3- 1.125e-03 1.082e-03 -2.949 -2.966 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -59967,7 +59327,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.739e-18 + Total alkalinity (eq/kg) = 4.048e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.925e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -60001,7 +59361,6 @@ N(5) 1.148e-03 NO3- 1.148e-03 1.104e-03 -2.940 -2.957 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60060,9 +59419,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.754e-18 + Total alkalinity (eq/kg) = 3.750e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.067e-15 + Electrical balance (eq) = -3.066e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60094,7 +59453,6 @@ N(5) 1.165e-03 NO3- 1.165e-03 1.120e-03 -2.934 -2.951 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60153,9 +59511,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.505e-18 + Total alkalinity (eq/kg) = 3.328e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.127e-15 + Electrical balance (eq) = -3.126e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60187,7 +59545,6 @@ N(5) 1.177e-03 NO3- 1.177e-03 1.132e-03 -2.929 -2.946 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60246,9 +59603,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.943e-18 + Total alkalinity (eq/kg) = 3.215e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.096e-15 + Electrical balance (eq) = -3.094e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60280,7 +59637,6 @@ N(5) 1.185e-03 NO3- 1.185e-03 1.140e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60339,7 +59695,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.217e-18 + Total alkalinity (eq/kg) = 2.609e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.960e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -60373,7 +59729,6 @@ N(5) 1.191e-03 NO3- 1.191e-03 1.145e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60432,9 +59787,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.391e-18 + Total alkalinity (eq/kg) = 1.701e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.724e-15 + Electrical balance (eq) = -2.723e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60466,7 +59821,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60525,7 +59879,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.191e-18 + Total alkalinity (eq/kg) = 1.434e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.400e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -60559,7 +59913,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60618,9 +59971,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.220e-18 + Total alkalinity (eq/kg) = 1.236e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.010e-15 + Electrical balance (eq) = -2.011e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60652,7 +60005,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60711,9 +60063,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.137e-19 + Total alkalinity (eq/kg) = 1.540e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.591e-15 + Electrical balance (eq) = -1.592e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60745,7 +60097,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60804,9 +60155,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.823e-19 + Total alkalinity (eq/kg) = 1.019e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.151e-15 + Electrical balance (eq) = -1.152e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60838,7 +60189,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60897,9 +60247,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.893e-19 + Total alkalinity (eq/kg) = 7.926e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.731e-16 + Electrical balance (eq) = -7.742e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -60931,7 +60281,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -60990,9 +60339,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.579e-19 + Total alkalinity (eq/kg) = 2.296e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.172e-16 + Electrical balance (eq) = -4.174e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -61024,7 +60373,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61083,9 +60431,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.670e-19 + Total alkalinity (eq/kg) = -2.852e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.589e-16 + Electrical balance (eq) = -3.593e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -61117,7 +60465,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61176,9 +60523,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.232e-19 + Total alkalinity (eq/kg) = -3.640e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.545e-16 + Electrical balance (eq) = -3.554e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -61210,7 +60557,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61269,9 +60615,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.889e-19 + Total alkalinity (eq/kg) = -2.793e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.752e-16 + Electrical balance (eq) = -3.768e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -61303,7 +60649,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61362,9 +60707,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.367e-19 + Total alkalinity (eq/kg) = -3.350e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.504e-16 + Electrical balance (eq) = -3.517e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -61396,7 +60741,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61436,7 +60780,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -61467,7 +60811,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61594,7 +60937,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.162e-18 + Total alkalinity (eq/kg) = 3.729e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.246e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -61631,7 +60974,6 @@ N(5) 2.481e-06 NO3- 2.481e-06 2.365e-06 -5.605 -5.626 -0.021 29.50 Na 6.192e-06 Na+ 6.192e-06 5.909e-06 -5.208 -5.228 -0.020 -1.46 - NaOH 5.910e-23 5.913e-23 -22.228 -22.228 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61692,7 +61034,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.788e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.509e-19 + Total alkalinity (eq/kg) = 2.540e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 2.083e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -61729,7 +61071,6 @@ N(5) 4.316e-06 NO3- 4.316e-06 4.115e-06 -5.365 -5.386 -0.021 29.50 Na 1.090e-05 Na+ 1.090e-05 1.040e-05 -4.963 -4.983 -0.020 -1.46 - NaOH 1.040e-22 1.040e-22 -21.983 -21.983 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61790,7 +61131,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.778e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.012e-19 + Total alkalinity (eq/kg) = 7.205e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.889e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -61827,7 +61168,6 @@ N(5) 8.034e-06 NO3- 8.034e-06 7.661e-06 -5.095 -5.116 -0.021 29.50 Na 2.063e-05 Na+ 2.063e-05 1.969e-05 -4.686 -4.706 -0.020 -1.46 - NaOH 1.969e-22 1.970e-22 -21.706 -21.705 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61888,7 +61228,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.760e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.996e-19 + Total alkalinity (eq/kg) = -5.942e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.986e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -61925,7 +61265,6 @@ N(5) 1.400e-05 NO3- 1.400e-05 1.336e-05 -4.854 -4.874 -0.021 29.50 Na 3.684e-05 Na+ 3.684e-05 3.517e-05 -4.434 -4.454 -0.020 -1.46 - NaOH 3.518e-22 3.520e-22 -21.454 -21.453 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -61986,7 +61325,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.731e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.378e-20 + Total alkalinity (eq/kg) = -3.467e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 7.986e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -62023,7 +61362,6 @@ N(5) 2.302e-05 NO3- 2.302e-05 2.196e-05 -4.638 -4.658 -0.020 29.50 Na 6.252e-05 Na+ 6.252e-05 5.971e-05 -4.204 -4.224 -0.020 -1.46 - NaOH 5.975e-22 5.978e-22 -21.224 -21.223 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62084,7 +61422,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.687e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.819e-19 + Total alkalinity (eq/kg) = -8.355e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 8.527e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -62121,7 +61459,6 @@ N(5) 3.613e-05 NO3- 3.613e-05 3.450e-05 -4.442 -4.462 -0.020 29.50 Na 1.022e-04 Na+ 1.022e-04 9.763e-05 -3.991 -4.010 -0.020 -1.46 - NaOH 9.772e-22 9.776e-22 -21.010 -21.010 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62182,9 +61519,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.619e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.952e-19 + Total alkalinity (eq/kg) = -1.081e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.088e-15 + Electrical balance (eq) = 9.089e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -62219,7 +61556,6 @@ N(5) 5.449e-05 NO3- 5.449e-05 5.207e-05 -4.264 -4.283 -0.020 29.50 Na 1.619e-04 Na+ 1.619e-04 1.548e-04 -3.791 -3.810 -0.019 -1.47 - NaOH 1.551e-21 1.551e-21 -20.809 -20.809 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62280,9 +61616,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.519e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.451e-20 + Total alkalinity (eq/kg) = -7.930e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.065e-15 + Electrical balance (eq) = 9.066e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -62317,7 +61653,6 @@ N(5) 7.926e-05 NO3- 7.926e-05 7.584e-05 -4.101 -4.120 -0.019 29.50 Na 2.490e-04 Na+ 2.490e-04 2.384e-04 -3.604 -3.623 -0.019 -1.47 - NaOH 2.390e-21 2.390e-21 -20.622 -20.622 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62378,9 +61713,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.383e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.022e-19 + Total alkalinity (eq/kg) = 2.273e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.125e-15 + Electrical balance (eq) = 7.126e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -62415,7 +61750,6 @@ N(5) 1.115e-04 NO3- 1.115e-04 1.069e-04 -3.953 -3.971 -0.018 29.49 Na 3.670e-04 Na+ 3.670e-04 3.521e-04 -3.435 -3.453 -0.018 -1.47 - NaOH 3.533e-21 3.534e-21 -20.452 -20.452 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62476,7 +61810,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.236e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.967e-19 + Total alkalinity (eq/kg) = 1.794e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.419e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -62513,7 +61847,6 @@ N(5) 1.521e-04 NO3- 1.521e-04 1.462e-04 -3.818 -3.835 -0.017 29.49 Na 5.076e-04 Na+ 5.076e-04 4.881e-04 -3.294 -3.312 -0.017 -1.47 - NaOH 4.903e-21 4.904e-21 -20.310 -20.309 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62574,9 +61907,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.902e-19 + Total alkalinity (eq/kg) = -4.638e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.023e-15 + Electrical balance (eq) = 4.024e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -62611,7 +61944,6 @@ N(5) 2.016e-04 NO3- 2.016e-04 1.938e-04 -3.696 -3.713 -0.017 29.49 Na 6.323e-04 Na+ 6.323e-04 6.083e-04 -3.199 -3.216 -0.017 -1.47 - NaOH 6.112e-21 6.114e-21 -20.214 -20.214 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62672,9 +62004,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.065e-19 + Total alkalinity (eq/kg) = 3.108e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.876e-15 + Electrical balance (eq) = 2.877e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -62709,7 +62041,6 @@ N(5) 2.599e-04 NO3- 2.599e-04 2.499e-04 -3.585 -3.602 -0.017 29.49 Na 7.427e-04 Na+ 7.427e-04 7.146e-04 -3.129 -3.146 -0.017 -1.47 - NaOH 7.180e-21 7.182e-21 -20.144 -20.144 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62770,9 +62101,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.092e-19 + Total alkalinity (eq/kg) = -4.245e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.961e-15 + Electrical balance (eq) = 1.962e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -62807,7 +62138,6 @@ N(5) 3.266e-04 NO3- 3.266e-04 3.140e-04 -3.486 -3.503 -0.017 29.49 Na 8.363e-04 Na+ 8.363e-04 8.046e-04 -3.078 -3.094 -0.017 -1.47 - NaOH 8.085e-21 8.087e-21 -20.092 -20.092 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62868,9 +62198,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.088e-18 + Total alkalinity (eq/kg) = 2.333e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.264e-15 + Electrical balance (eq) = 1.265e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -62905,7 +62235,6 @@ N(5) 4.005e-04 NO3- 4.005e-04 3.850e-04 -3.397 -3.415 -0.017 29.49 Na 9.057e-04 Na+ 9.057e-04 8.713e-04 -3.043 -3.060 -0.017 -1.47 - NaOH 8.755e-21 8.757e-21 -20.058 -20.058 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -62966,9 +62295,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.625e-18 + Total alkalinity (eq/kg) = 4.234e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.401e-16 + Electrical balance (eq) = 7.399e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -63003,7 +62332,6 @@ N(5) 4.798e-04 NO3- 4.798e-04 4.613e-04 -3.319 -3.336 -0.017 29.49 Na 9.504e-04 Na+ 9.504e-04 9.144e-04 -3.022 -3.039 -0.017 -1.47 - NaOH 9.187e-21 9.190e-21 -20.037 -20.037 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63064,9 +62392,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.392e-18 + Total alkalinity (eq/kg) = 8.713e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.254e-16 + Electrical balance (eq) = 3.253e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -63101,7 +62429,6 @@ N(5) 5.625e-04 NO3- 5.625e-04 5.408e-04 -3.250 -3.267 -0.017 29.49 Na 9.758e-04 Na+ 9.758e-04 9.388e-04 -3.011 -3.027 -0.017 -1.47 - NaOH 9.433e-21 9.435e-21 -20.025 -20.025 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63162,9 +62489,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.511e-18 + Total alkalinity (eq/kg) = 1.445e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.611e-17 + Electrical balance (eq) = -3.515e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -63199,7 +62526,6 @@ N(5) 6.461e-04 NO3- 6.461e-04 6.212e-04 -3.190 -3.207 -0.017 29.49 Na 9.889e-04 Na+ 9.889e-04 9.514e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.559e-21 9.562e-21 -20.020 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63258,9 +62584,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.223e-18 + Total alkalinity (eq/kg) = 1.710e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.774e-16 + Electrical balance (eq) = -3.773e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -63292,7 +62618,6 @@ N(5) 7.281e-04 NO3- 7.281e-04 7.000e-04 -3.138 -3.155 -0.017 29.49 Na 9.952e-04 Na+ 9.952e-04 9.574e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.619e-21 9.622e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63351,9 +62676,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.715e-18 + Total alkalinity (eq/kg) = 2.551e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.142e-16 + Electrical balance (eq) = -7.144e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -63385,7 +62710,6 @@ N(5) 8.062e-04 NO3- 8.062e-04 7.751e-04 -3.094 -3.111 -0.017 29.49 Na 9.980e-04 Na+ 9.980e-04 9.601e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.647e-21 9.649e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63444,7 +62768,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.197e-18 + Total alkalinity (eq/kg) = 3.567e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.053e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -63478,7 +62802,6 @@ N(5) 8.784e-04 NO3- 8.784e-04 8.446e-04 -3.056 -3.073 -0.017 29.49 Na 9.992e-04 Na+ 9.992e-04 9.613e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.658e-21 9.661e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63537,7 +62860,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.126e-18 + Total alkalinity (eq/kg) = 3.457e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.396e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -63571,7 +62894,6 @@ N(5) 9.432e-04 NO3- 9.432e-04 9.068e-04 -3.025 -3.042 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63630,7 +62952,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.428e-18 + Total alkalinity (eq/kg) = 3.859e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.741e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -63664,7 +62986,6 @@ N(5) 9.997e-04 NO3- 9.997e-04 9.611e-04 -3.000 -3.017 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63723,7 +63044,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.316e-18 + Total alkalinity (eq/kg) = 4.111e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.075e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -63757,7 +63078,6 @@ N(5) 1.047e-03 NO3- 1.047e-03 1.007e-03 -2.980 -2.997 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63816,9 +63136,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.062e-18 + Total alkalinity (eq/kg) = 4.554e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.380e-15 + Electrical balance (eq) = -2.381e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -63850,7 +63170,6 @@ N(5) 1.087e-03 NO3- 1.087e-03 1.045e-03 -2.964 -2.981 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -63909,9 +63228,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.324e-18 + Total alkalinity (eq/kg) = 4.684e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.638e-15 + Electrical balance (eq) = -2.640e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -63943,7 +63262,6 @@ N(5) 1.118e-03 NO3- 1.118e-03 1.075e-03 -2.952 -2.969 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64002,9 +63320,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.659e-18 + Total alkalinity (eq/kg) = 4.529e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.837e-15 + Electrical balance (eq) = -2.838e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -64036,7 +63354,6 @@ N(5) 1.142e-03 NO3- 1.142e-03 1.098e-03 -2.942 -2.959 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64095,7 +63412,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.011e-18 + Total alkalinity (eq/kg) = 4.002e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.971e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -64129,7 +63446,6 @@ N(5) 1.160e-03 NO3- 1.160e-03 1.115e-03 -2.936 -2.953 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64188,9 +63504,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.122e-18 + Total alkalinity (eq/kg) = 4.112e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.038e-15 + Electrical balance (eq) = -3.036e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -64222,7 +63538,6 @@ N(5) 1.173e-03 NO3- 1.173e-03 1.128e-03 -2.931 -2.948 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64281,7 +63596,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.510e-18 + Total alkalinity (eq/kg) = 3.723e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.026e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -64315,7 +63630,6 @@ N(5) 1.183e-03 NO3- 1.183e-03 1.137e-03 -2.927 -2.944 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64374,9 +63688,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.368e-18 + Total alkalinity (eq/kg) = 3.290e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.928e-15 + Electrical balance (eq) = -2.927e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -64408,7 +63722,6 @@ N(5) 1.189e-03 NO3- 1.189e-03 1.143e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64467,9 +63780,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.722e-18 + Total alkalinity (eq/kg) = 2.236e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.746e-15 + Electrical balance (eq) = -2.747e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -64501,7 +63814,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64560,7 +63872,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.286e-18 + Total alkalinity (eq/kg) = 1.881e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.497e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -64594,7 +63906,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64653,9 +63964,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.359e-18 + Total alkalinity (eq/kg) = 1.462e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.194e-15 + Electrical balance (eq) = -2.195e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -64687,7 +63998,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64746,7 +64056,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.312e-18 + Total alkalinity (eq/kg) = 1.545e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.861e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -64780,7 +64090,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64839,9 +64148,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.633e-19 + Total alkalinity (eq/kg) = 1.398e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.517e-15 + Electrical balance (eq) = -1.520e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -64873,7 +64182,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -64932,9 +64240,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.867e-21 + Total alkalinity (eq/kg) = 9.627e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.185e-15 + Electrical balance (eq) = -1.188e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -64966,7 +64274,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65025,9 +64332,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.213e-19 + Total alkalinity (eq/kg) = 7.051e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.900e-16 + Electrical balance (eq) = -8.916e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -65059,7 +64366,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65118,9 +64424,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.219e-19 + Total alkalinity (eq/kg) = 1.661e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.427e-16 + Electrical balance (eq) = -6.438e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -65152,7 +64458,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65211,9 +64516,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.689e-19 + Total alkalinity (eq/kg) = -1.079e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.462e-16 + Electrical balance (eq) = -4.469e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -65245,7 +64550,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65304,9 +64608,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.082e-18 + Total alkalinity (eq/kg) = -3.268e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.852e-16 + Electrical balance (eq) = -3.858e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -65338,7 +64642,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65378,7 +64681,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -65409,7 +64712,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65536,7 +64838,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.047e-19 + Total alkalinity (eq/kg) = 8.232e-21 Temperature (°C) = 25.00 Electrical balance (eq) = 1.266e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -65573,7 +64875,6 @@ N(5) 1.827e-06 NO3- 1.827e-06 1.742e-06 -5.738 -5.759 -0.021 29.50 Na 4.664e-06 Na+ 4.664e-06 4.451e-06 -5.331 -5.352 -0.020 -1.46 - NaOH 4.451e-23 4.453e-23 -22.352 -22.351 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65634,9 +64935,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.666e-19 + Total alkalinity (eq/kg) = -2.571e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.232e-15 + Electrical balance (eq) = 2.231e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -65671,7 +64972,6 @@ N(5) 3.189e-06 NO3- 3.189e-06 3.040e-06 -5.496 -5.517 -0.021 29.50 Na 8.227e-06 Na+ 8.227e-06 7.851e-06 -5.085 -5.105 -0.020 -1.46 - NaOH 7.853e-23 7.856e-23 -22.105 -22.105 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65732,9 +65032,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.783e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.085e-18 + Total alkalinity (eq/kg) = 8.100e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.221e-15 + Electrical balance (eq) = 4.220e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -65769,7 +65069,6 @@ N(5) 5.962e-06 NO3- 5.962e-06 5.685e-06 -5.225 -5.245 -0.021 29.50 Na 1.563e-05 Na+ 1.563e-05 1.492e-05 -4.806 -4.826 -0.020 -1.46 - NaOH 1.492e-22 1.493e-22 -21.826 -21.826 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65830,7 +65129,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.769e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.098e-19 + Total alkalinity (eq/kg) = -1.738e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 7.294e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -65867,7 +65166,6 @@ N(5) 1.045e-05 NO3- 1.045e-05 9.967e-06 -4.981 -5.001 -0.021 29.50 Na 2.802e-05 Na+ 2.802e-05 2.675e-05 -4.553 -4.573 -0.020 -1.46 - NaOH 2.676e-22 2.677e-22 -21.573 -21.572 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -65928,9 +65226,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.746e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.499e-19 + Total alkalinity (eq/kg) = 1.592e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.372e-15 + Electrical balance (eq) = 8.373e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -65965,7 +65263,6 @@ N(5) 1.730e-05 NO3- 1.730e-05 1.650e-05 -4.762 -4.783 -0.020 29.50 Na 4.782e-05 Na+ 4.782e-05 4.566e-05 -4.320 -4.340 -0.020 -1.46 - NaOH 4.568e-22 4.570e-22 -21.340 -21.340 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66026,9 +65323,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.711e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.317e-19 + Total alkalinity (eq/kg) = -4.994e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.899e-15 + Electrical balance (eq) = 8.901e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -66063,7 +65360,6 @@ N(5) 2.737e-05 NO3- 2.737e-05 2.612e-05 -4.563 -4.583 -0.020 29.50 Na 7.865e-05 Na+ 7.865e-05 7.514e-05 -4.104 -4.124 -0.020 -1.46 - NaOH 7.519e-22 7.522e-22 -21.124 -21.124 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66124,7 +65420,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.656e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.569e-19 + Total alkalinity (eq/kg) = -3.374e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 9.371e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -66161,7 +65457,6 @@ N(5) 4.165e-05 NO3- 4.165e-05 3.978e-05 -4.380 -4.400 -0.020 29.50 Na 1.255e-04 Na+ 1.255e-04 1.199e-04 -3.901 -3.921 -0.020 -1.46 - NaOH 1.201e-21 1.201e-21 -20.921 -20.920 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66222,7 +65517,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.575e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.844e-19 + Total alkalinity (eq/kg) = -5.906e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 9.634e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -66259,7 +65554,6 @@ N(5) 6.118e-05 NO3- 6.118e-05 5.850e-05 -4.213 -4.233 -0.019 29.50 Na 1.943e-04 Na+ 1.943e-04 1.859e-04 -3.712 -3.731 -0.019 -1.47 - NaOH 1.863e-21 1.863e-21 -20.730 -20.730 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66320,7 +65614,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.466e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.176e-19 + Total alkalinity (eq/kg) = -1.509e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 8.349e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -66357,7 +65651,6 @@ N(5) 8.703e-05 NO3- 8.703e-05 8.334e-05 -4.060 -4.079 -0.019 29.50 Na 2.903e-04 Na+ 2.903e-04 2.782e-04 -3.537 -3.556 -0.018 -1.47 - NaOH 2.790e-21 2.791e-21 -20.554 -20.554 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66418,9 +65711,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.337e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.763e-20 + Total alkalinity (eq/kg) = -2.488e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.005e-15 + Electrical balance (eq) = 7.006e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -66455,7 +65748,6 @@ N(5) 1.201e-04 NO3- 1.201e-04 1.153e-04 -3.920 -3.938 -0.018 29.49 Na 4.136e-04 Na+ 4.136e-04 3.971e-04 -3.383 -3.401 -0.018 -1.47 - NaOH 3.986e-21 3.987e-21 -20.400 -20.399 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66516,9 +65808,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.202e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.282e-19 + Total alkalinity (eq/kg) = -2.264e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.606e-15 + Electrical balance (eq) = 5.608e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -66553,7 +65845,6 @@ N(5) 1.612e-04 NO3- 1.612e-04 1.550e-04 -3.793 -3.810 -0.017 29.49 Na 5.564e-04 Na+ 5.564e-04 5.353e-04 -3.255 -3.271 -0.017 -1.47 - NaOH 5.378e-21 5.380e-21 -20.269 -20.269 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66614,9 +65905,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.545e-19 + Total alkalinity (eq/kg) = -2.330e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.274e-15 + Electrical balance (eq) = 4.275e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -66651,7 +65942,6 @@ N(5) 2.107e-04 NO3- 2.107e-04 2.025e-04 -3.676 -3.693 -0.017 29.49 Na 6.690e-04 Na+ 6.690e-04 6.436e-04 -3.175 -3.191 -0.017 -1.47 - NaOH 6.467e-21 6.469e-21 -20.189 -20.189 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66712,9 +66002,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.029e-18 + Total alkalinity (eq/kg) = 1.004e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.119e-15 + Electrical balance (eq) = 3.120e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -66749,7 +66039,6 @@ N(5) 2.684e-04 NO3- 2.684e-04 2.581e-04 -3.571 -3.588 -0.017 29.49 Na 7.735e-04 Na+ 7.735e-04 7.442e-04 -3.112 -3.128 -0.017 -1.47 - NaOH 7.478e-21 7.480e-21 -20.126 -20.126 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66810,9 +66099,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.203e-19 + Total alkalinity (eq/kg) = 1.849e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.181e-15 + Electrical balance (eq) = 2.180e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -66847,7 +66136,6 @@ N(5) 3.339e-04 NO3- 3.339e-04 3.210e-04 -3.476 -3.493 -0.017 29.49 Na 8.590e-04 Na+ 8.590e-04 8.264e-04 -3.066 -3.083 -0.017 -1.47 - NaOH 8.303e-21 8.306e-21 -20.081 -20.081 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -66908,7 +66196,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.234e-18 + Total alkalinity (eq/kg) = 8.717e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.441e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -66945,7 +66233,6 @@ N(5) 4.060e-04 NO3- 4.060e-04 3.904e-04 -3.391 -3.409 -0.017 29.49 Na 9.201e-04 Na+ 9.201e-04 8.852e-04 -3.036 -3.053 -0.017 -1.47 - NaOH 8.894e-21 8.897e-21 -20.051 -20.051 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67006,9 +66293,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.216e-18 + Total alkalinity (eq/kg) = 4.954e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.607e-16 + Electrical balance (eq) = 8.624e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -67043,7 +66330,6 @@ N(5) 4.832e-04 NO3- 4.832e-04 4.646e-04 -3.316 -3.333 -0.017 29.49 Na 9.584e-04 Na+ 9.584e-04 9.220e-04 -3.018 -3.035 -0.017 -1.47 - NaOH 9.264e-21 9.267e-21 -20.033 -20.033 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67104,9 +66390,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.513e-18 + Total alkalinity (eq/kg) = 8.316e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.959e-16 + Electrical balance (eq) = 3.968e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67141,7 +66427,6 @@ N(5) 5.634e-04 NO3- 5.634e-04 5.417e-04 -3.249 -3.266 -0.017 29.49 Na 9.797e-04 Na+ 9.797e-04 9.426e-04 -3.009 -3.026 -0.017 -1.47 - NaOH 9.471e-21 9.473e-21 -20.024 -20.023 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67200,9 +66485,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.304e-18 + Total alkalinity (eq/kg) = 1.548e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.739e-18 + Electrical balance (eq) = 4.895e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67234,7 +66519,6 @@ N(5) 6.445e-04 NO3- 6.445e-04 6.196e-04 -3.191 -3.208 -0.017 29.49 Na 9.907e-04 Na+ 9.907e-04 9.531e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.576e-21 9.579e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67293,9 +66577,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.775e-18 + Total alkalinity (eq/kg) = 2.144e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.394e-16 + Electrical balance (eq) = -3.395e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67327,7 +66611,6 @@ N(5) 7.242e-04 NO3- 7.242e-04 6.962e-04 -3.140 -3.157 -0.017 29.49 Na 9.959e-04 Na+ 9.959e-04 9.581e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.627e-21 9.629e-21 -20.017 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67386,9 +66669,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.359e-18 + Total alkalinity (eq/kg) = 2.638e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.604e-16 + Electrical balance (eq) = -6.600e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67420,7 +66703,6 @@ N(5) 8.002e-04 NO3- 8.002e-04 7.694e-04 -3.097 -3.114 -0.017 29.49 Na 9.983e-04 Na+ 9.983e-04 9.604e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.649e-21 9.652e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67479,9 +66761,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.861e-18 + Total alkalinity (eq/kg) = 2.825e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.890e-16 + Electrical balance (eq) = -9.893e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67513,7 +66795,6 @@ N(5) 8.709e-04 NO3- 8.709e-04 8.373e-04 -3.060 -3.077 -0.017 29.49 Na 9.993e-04 Na+ 9.993e-04 9.614e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.659e-21 9.662e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67572,7 +66853,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.813e-18 + Total alkalinity (eq/kg) = 3.321e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.341e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -67606,7 +66887,6 @@ N(5) 9.347e-04 NO3- 9.347e-04 8.986e-04 -3.029 -3.046 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67665,9 +66945,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.990e-18 + Total alkalinity (eq/kg) = 4.336e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.699e-15 + Electrical balance (eq) = -1.700e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67699,7 +66979,6 @@ N(5) 9.907e-04 NO3- 9.907e-04 9.525e-04 -3.004 -3.021 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67758,9 +67037,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.092e-18 + Total alkalinity (eq/kg) = 4.147e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.035e-15 + Electrical balance (eq) = -2.037e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67792,7 +67071,6 @@ N(5) 1.039e-03 NO3- 1.039e-03 9.985e-04 -2.984 -3.001 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67851,9 +67129,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.736e-18 + Total alkalinity (eq/kg) = 5.017e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.330e-15 + Electrical balance (eq) = -2.332e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67885,7 +67163,6 @@ N(5) 1.078e-03 NO3- 1.078e-03 1.037e-03 -2.967 -2.984 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -67944,9 +67221,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.255e-18 + Total alkalinity (eq/kg) = 4.959e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.569e-15 + Electrical balance (eq) = -2.570e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -67978,7 +67255,6 @@ N(5) 1.110e-03 NO3- 1.110e-03 1.068e-03 -2.955 -2.972 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68037,9 +67313,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.006e-18 + Total alkalinity (eq/kg) = 5.157e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.753e-15 + Electrical balance (eq) = -2.755e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -68071,7 +67347,6 @@ N(5) 1.136e-03 NO3- 1.136e-03 1.092e-03 -2.945 -2.962 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68130,7 +67405,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.151e-18 + Total alkalinity (eq/kg) = 5.014e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.881e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -68164,7 +67439,6 @@ N(5) 1.155e-03 NO3- 1.155e-03 1.110e-03 -2.937 -2.955 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68223,9 +67497,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.359e-18 + Total alkalinity (eq/kg) = 4.823e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.949e-15 + Electrical balance (eq) = -2.947e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -68257,7 +67531,6 @@ N(5) 1.169e-03 NO3- 1.169e-03 1.124e-03 -2.932 -2.949 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68316,7 +67589,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.679e-18 + Total alkalinity (eq/kg) = 3.751e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.948e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -68350,7 +67623,6 @@ N(5) 1.179e-03 NO3- 1.179e-03 1.134e-03 -2.928 -2.945 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68409,7 +67681,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.194e-18 + Total alkalinity (eq/kg) = 3.113e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.876e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -68443,7 +67715,6 @@ N(5) 1.187e-03 NO3- 1.187e-03 1.141e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68502,9 +67773,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.980e-18 + Total alkalinity (eq/kg) = 2.517e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.730e-15 + Electrical balance (eq) = -2.731e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -68536,7 +67807,6 @@ N(5) 1.192e-03 NO3- 1.192e-03 1.146e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68595,7 +67865,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.126e-18 + Total alkalinity (eq/kg) = 2.176e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.524e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -68629,7 +67899,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68688,9 +67957,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.686e-18 + Total alkalinity (eq/kg) = 1.637e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.272e-15 + Electrical balance (eq) = -2.275e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -68722,7 +67991,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68781,9 +68049,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.182e-18 + Total alkalinity (eq/kg) = 1.774e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.996e-15 + Electrical balance (eq) = -1.999e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -68815,7 +68083,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68874,9 +68141,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.178e-19 + Total alkalinity (eq/kg) = 1.102e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.708e-15 + Electrical balance (eq) = -1.711e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -68908,7 +68175,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -68967,9 +68233,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.127e-19 + Total alkalinity (eq/kg) = 1.255e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.416e-15 + Electrical balance (eq) = -1.418e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -69001,7 +68267,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69060,9 +68325,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.731e-20 + Total alkalinity (eq/kg) = 6.296e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.108e-15 + Electrical balance (eq) = -1.111e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -69094,7 +68359,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69153,9 +68417,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.064e-19 + Total alkalinity (eq/kg) = 7.786e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.121e-16 + Electrical balance (eq) = -8.127e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -69187,7 +68451,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69246,9 +68509,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.243e-19 + Total alkalinity (eq/kg) = 8.986e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.470e-16 + Electrical balance (eq) = -6.492e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -69280,7 +68543,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69320,7 +68582,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -69351,7 +68613,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69478,7 +68739,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.753e-19 + Total alkalinity (eq/kg) = 6.653e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.236e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -69515,7 +68776,6 @@ N(5) 1.350e-06 NO3- 1.350e-06 1.287e-06 -5.870 -5.891 -0.021 29.50 Na 3.520e-06 Na+ 3.520e-06 3.360e-06 -5.453 -5.474 -0.020 -1.46 - NaOH 3.360e-23 3.361e-23 -22.474 -22.473 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69576,9 +68836,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.909e-20 + Total alkalinity (eq/kg) = 5.409e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.197e-15 + Electrical balance (eq) = 2.196e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -69613,7 +68873,6 @@ N(5) 2.362e-06 NO3- 2.362e-06 2.252e-06 -5.627 -5.647 -0.021 29.50 Na 6.224e-06 Na+ 6.224e-06 5.939e-06 -5.206 -5.226 -0.020 -1.46 - NaOH 5.940e-23 5.943e-23 -22.226 -22.226 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69674,9 +68933,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.787e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.625e-19 + Total alkalinity (eq/kg) = 4.619e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.154e-15 + Electrical balance (eq) = 4.155e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -69711,7 +68970,6 @@ N(5) 4.434e-06 NO3- 4.434e-06 4.228e-06 -5.353 -5.374 -0.021 29.50 Na 1.186e-05 Na+ 1.186e-05 1.132e-05 -4.926 -4.946 -0.020 -1.46 - NaOH 1.132e-22 1.132e-22 -21.946 -21.946 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69772,9 +69030,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.776e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.873e-19 + Total alkalinity (eq/kg) = 3.826e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.135e-15 + Electrical balance (eq) = 7.136e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -69809,7 +69067,6 @@ N(5) 7.812e-06 NO3- 7.812e-06 7.450e-06 -5.107 -5.128 -0.021 29.50 Na 2.135e-05 Na+ 2.135e-05 2.038e-05 -4.671 -4.691 -0.020 -1.46 - NaOH 2.038e-22 2.039e-22 -21.691 -21.691 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69870,7 +69127,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.758e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.845e-20 + Total alkalinity (eq/kg) = 1.121e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 8.409e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -69907,7 +69164,6 @@ N(5) 1.301e-05 NO3- 1.301e-05 1.241e-05 -4.886 -4.906 -0.021 29.50 Na 3.660e-05 Na+ 3.660e-05 3.494e-05 -4.437 -4.457 -0.020 -1.46 - NaOH 3.496e-22 3.497e-22 -21.456 -21.456 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -69968,7 +69224,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.730e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.241e-19 + Total alkalinity (eq/kg) = 1.971e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 9.059e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -70005,7 +69261,6 @@ N(5) 2.073e-05 NO3- 2.073e-05 1.978e-05 -4.683 -4.704 -0.020 29.50 Na 6.048e-05 Na+ 6.048e-05 5.777e-05 -4.218 -4.238 -0.020 -1.46 - NaOH 5.781e-22 5.783e-22 -21.238 -21.238 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70066,7 +69321,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.687e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.014e-19 + Total alkalinity (eq/kg) = -5.777e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 9.520e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -70103,7 +69358,6 @@ N(5) 3.181e-05 NO3- 3.181e-05 3.037e-05 -4.497 -4.518 -0.020 29.50 Na 9.699e-05 Na+ 9.699e-05 9.269e-05 -4.013 -4.033 -0.020 -1.46 - NaOH 9.278e-22 9.281e-22 -21.033 -21.032 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70164,7 +69418,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.621e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.320e-19 + Total alkalinity (eq/kg) = -1.908e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.011e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -70201,7 +69455,6 @@ N(5) 4.717e-05 NO3- 4.717e-05 4.507e-05 -4.326 -4.346 -0.020 29.50 Na 1.517e-04 Na+ 1.517e-04 1.451e-04 -3.819 -3.838 -0.019 -1.47 - NaOH 1.453e-21 1.454e-21 -20.838 -20.837 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70262,7 +69515,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.523e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.299e-19 + Total alkalinity (eq/kg) = -3.952e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.035e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -70299,7 +69552,6 @@ N(5) 6.776e-05 NO3- 6.776e-05 6.484e-05 -4.169 -4.188 -0.019 29.50 Na 2.315e-04 Na+ 2.315e-04 2.217e-04 -3.635 -3.654 -0.019 -1.47 - NaOH 2.222e-21 2.223e-21 -20.653 -20.653 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70360,9 +69612,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.392e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.051e-19 + Total alkalinity (eq/kg) = -1.076e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.600e-15 + Electrical balance (eq) = 8.601e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -70397,7 +69649,6 @@ N(5) 9.456e-05 NO3- 9.456e-05 9.065e-05 -4.024 -4.043 -0.018 29.49 Na 3.399e-04 Na+ 3.399e-04 3.261e-04 -3.469 -3.487 -0.018 -1.47 - NaOH 3.271e-21 3.272e-21 -20.485 -20.485 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70458,9 +69709,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.253e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.897e-19 + Total alkalinity (eq/kg) = -4.445e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.036e-15 + Electrical balance (eq) = 7.035e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -70495,7 +69746,6 @@ N(5) 1.284e-04 NO3- 1.284e-04 1.233e-04 -3.892 -3.909 -0.017 29.49 Na 4.695e-04 Na+ 4.695e-04 4.513e-04 -3.328 -3.346 -0.017 -1.47 - NaOH 4.533e-21 4.534e-21 -20.344 -20.343 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70556,9 +69806,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.905e-19 + Total alkalinity (eq/kg) = -4.054e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.679e-15 + Electrical balance (eq) = 5.680e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -70593,7 +69843,6 @@ N(5) 1.698e-04 NO3- 1.698e-04 1.633e-04 -3.770 -3.787 -0.017 29.49 Na 5.935e-04 Na+ 5.935e-04 5.710e-04 -3.227 -3.243 -0.017 -1.47 - NaOH 5.738e-21 5.739e-21 -20.241 -20.241 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70654,7 +69903,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.918e-19 + Total alkalinity (eq/kg) = -2.404e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.438e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -70691,7 +69940,6 @@ N(5) 2.192e-04 NO3- 2.192e-04 2.107e-04 -3.659 -3.676 -0.017 29.49 Na 7.037e-04 Na+ 7.037e-04 6.770e-04 -3.153 -3.169 -0.017 -1.47 - NaOH 6.803e-21 6.805e-21 -20.167 -20.167 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70752,9 +70000,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.461e-18 + Total alkalinity (eq/kg) = 3.929e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.325e-15 + Electrical balance (eq) = 3.326e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -70789,7 +70037,6 @@ N(5) 2.763e-04 NO3- 2.763e-04 2.657e-04 -3.559 -3.576 -0.017 29.49 Na 8.018e-04 Na+ 8.018e-04 7.714e-04 -3.096 -3.113 -0.017 -1.47 - NaOH 7.751e-21 7.753e-21 -20.111 -20.111 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70850,9 +70097,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.323e-18 + Total alkalinity (eq/kg) = 9.618e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.380e-15 + Electrical balance (eq) = 2.381e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -70887,7 +70134,6 @@ N(5) 3.407e-04 NO3- 3.407e-04 3.275e-04 -3.468 -3.485 -0.017 29.49 Na 8.790e-04 Na+ 8.790e-04 8.457e-04 -3.056 -3.073 -0.017 -1.47 - NaOH 8.498e-21 8.500e-21 -20.071 -20.071 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -70948,9 +70194,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.666e-19 + Total alkalinity (eq/kg) = 7.298e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.607e-15 + Electrical balance (eq) = 1.606e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -70985,7 +70231,6 @@ N(5) 4.112e-04 NO3- 4.112e-04 3.953e-04 -3.386 -3.403 -0.017 29.49 Na 9.325e-04 Na+ 9.325e-04 8.972e-04 -3.030 -3.047 -0.017 -1.47 - NaOH 9.015e-21 9.017e-21 -20.045 -20.045 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71046,9 +70291,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.341e-18 + Total alkalinity (eq/kg) = 9.231e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.851e-16 + Electrical balance (eq) = 9.844e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -71083,7 +70328,6 @@ N(5) 4.863e-04 NO3- 4.863e-04 4.676e-04 -3.313 -3.330 -0.017 29.49 Na 9.651e-04 Na+ 9.651e-04 9.286e-04 -3.015 -3.032 -0.017 -1.47 - NaOH 9.330e-21 9.332e-21 -20.030 -20.030 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71144,9 +70388,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.363e-18 + Total alkalinity (eq/kg) = 6.784e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.804e-16 + Electrical balance (eq) = 4.806e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -71181,7 +70425,6 @@ N(5) 5.643e-04 NO3- 5.643e-04 5.425e-04 -3.248 -3.266 -0.017 29.49 Na 9.831e-04 Na+ 9.831e-04 9.458e-04 -3.007 -3.024 -0.017 -1.47 - NaOH 9.503e-21 9.506e-21 -20.022 -20.022 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71240,9 +70483,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.378e-18 + Total alkalinity (eq/kg) = 1.430e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.089e-17 + Electrical balance (eq) = 6.201e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -71274,7 +70517,6 @@ N(5) 6.431e-04 NO3- 6.431e-04 6.182e-04 -3.192 -3.209 -0.017 29.49 Na 9.922e-04 Na+ 9.922e-04 9.546e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.591e-21 9.593e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71333,9 +70575,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.936e-18 + Total alkalinity (eq/kg) = 2.710e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.010e-16 + Electrical balance (eq) = -3.005e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -71367,7 +70609,6 @@ N(5) 7.205e-04 NO3- 7.205e-04 6.927e-04 -3.142 -3.159 -0.017 29.49 Na 9.965e-04 Na+ 9.965e-04 9.588e-04 -3.002 -3.018 -0.017 -1.47 - NaOH 9.633e-21 9.635e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71426,9 +70667,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.829e-18 + Total alkalinity (eq/kg) = 2.726e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.336e-16 + Electrical balance (eq) = -6.335e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -71460,7 +70701,6 @@ N(5) 7.947e-04 NO3- 7.947e-04 7.641e-04 -3.100 -3.117 -0.017 29.49 Na 9.985e-04 Na+ 9.985e-04 9.607e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.652e-21 9.655e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71519,9 +70759,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.524e-18 + Total alkalinity (eq/kg) = 2.921e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.670e-16 + Electrical balance (eq) = -9.673e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -71553,7 +70793,6 @@ N(5) 8.639e-04 NO3- 8.639e-04 8.306e-04 -3.064 -3.081 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.660e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71612,7 +70851,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.869e-18 + Total alkalinity (eq/kg) = 3.651e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.314e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -71646,7 +70885,6 @@ N(5) 9.267e-04 NO3- 9.267e-04 8.910e-04 -3.033 -3.050 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71705,7 +70943,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.681e-18 + Total alkalinity (eq/kg) = 3.667e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.663e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -71739,7 +70977,6 @@ N(5) 9.823e-04 NO3- 9.823e-04 9.444e-04 -3.008 -3.025 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71798,7 +71035,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.274e-18 + Total alkalinity (eq/kg) = 4.921e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.990e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -71832,7 +71069,6 @@ N(5) 1.030e-03 NO3- 1.030e-03 9.905e-04 -2.987 -3.004 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71891,9 +71127,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.335e-18 + Total alkalinity (eq/kg) = 5.805e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.273e-15 + Electrical balance (eq) = -2.274e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -71925,7 +71161,6 @@ N(5) 1.070e-03 NO3- 1.070e-03 1.029e-03 -2.970 -2.988 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -71984,9 +71219,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.258e-18 + Total alkalinity (eq/kg) = 5.990e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.502e-15 + Electrical balance (eq) = -2.503e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72018,7 +71253,6 @@ N(5) 1.103e-03 NO3- 1.103e-03 1.061e-03 -2.957 -2.974 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72077,9 +71311,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.974e-18 + Total alkalinity (eq/kg) = 5.184e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.676e-15 + Electrical balance (eq) = -2.675e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72111,7 +71345,6 @@ N(5) 1.129e-03 NO3- 1.129e-03 1.086e-03 -2.947 -2.964 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72170,9 +71403,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.696e-18 + Total alkalinity (eq/kg) = 4.600e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.794e-15 + Electrical balance (eq) = -2.795e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72204,7 +71437,6 @@ N(5) 1.150e-03 NO3- 1.150e-03 1.105e-03 -2.939 -2.957 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72263,7 +71495,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.757e-18 + Total alkalinity (eq/kg) = 5.014e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.862e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -72297,7 +71529,6 @@ N(5) 1.165e-03 NO3- 1.165e-03 1.120e-03 -2.934 -2.951 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72356,9 +71587,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.578e-18 + Total alkalinity (eq/kg) = 4.158e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.874e-15 + Electrical balance (eq) = -2.872e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72390,7 +71621,6 @@ N(5) 1.176e-03 NO3- 1.176e-03 1.131e-03 -2.930 -2.947 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72451,7 +71681,7 @@ X 1.100e-03 mol Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.899e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.818e-15 + Electrical balance (eq) = -2.817e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72483,7 +71713,6 @@ N(5) 1.184e-03 NO3- 1.184e-03 1.138e-03 -2.927 -2.944 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72542,7 +71771,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.973e-18 + Total alkalinity (eq/kg) = 2.863e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.696e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -72576,7 +71805,6 @@ N(5) 1.190e-03 NO3- 1.190e-03 1.144e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72635,9 +71863,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.700e-18 + Total alkalinity (eq/kg) = 2.518e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.521e-15 + Electrical balance (eq) = -2.522e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72669,7 +71897,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72728,9 +71955,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.214e-18 + Total alkalinity (eq/kg) = 2.471e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.303e-15 + Electrical balance (eq) = -2.305e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72762,7 +71989,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72821,9 +72047,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.986e-18 + Total alkalinity (eq/kg) = 2.292e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.058e-15 + Electrical balance (eq) = -2.061e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72855,7 +72081,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -72914,9 +72139,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.759e-18 + Total alkalinity (eq/kg) = 2.446e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.791e-15 + Electrical balance (eq) = -1.794e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -72948,7 +72173,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.152e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73007,7 +72231,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.213e-18 + Total alkalinity (eq/kg) = 1.484e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.501e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -73041,7 +72265,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73100,9 +72323,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.441e-19 + Total alkalinity (eq/kg) = 7.802e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.221e-15 + Electrical balance (eq) = -1.223e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -73134,7 +72357,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73193,9 +72415,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.325e-19 + Total alkalinity (eq/kg) = 1.013e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.056e-15 + Electrical balance (eq) = -1.058e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -73227,7 +72449,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73267,7 +72488,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -73298,7 +72519,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73425,9 +72645,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.875e-19 + Total alkalinity (eq/kg) = 1.395e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.159e-15 + Electrical balance (eq) = 1.158e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -73462,7 +72682,6 @@ N(5) 9.995e-07 NO3- 9.995e-07 9.528e-07 -6.000 -6.021 -0.021 29.50 Na 2.663e-06 Na+ 2.663e-06 2.541e-06 -5.575 -5.595 -0.020 -1.46 - NaOH 2.541e-23 2.542e-23 -22.595 -22.595 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73523,9 +72742,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.165e-19 + Total alkalinity (eq/kg) = 1.961e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.065e-15 + Electrical balance (eq) = 2.064e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -73560,7 +72779,6 @@ N(5) 1.754e-06 NO3- 1.754e-06 1.672e-06 -5.756 -5.777 -0.021 29.50 Na 4.717e-06 Na+ 4.717e-06 4.501e-06 -5.326 -5.347 -0.020 -1.46 - NaOH 4.502e-23 4.504e-23 -22.347 -22.346 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73621,9 +72839,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.790e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.457e-19 + Total alkalinity (eq/kg) = 3.071e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.908e-15 + Electrical balance (eq) = 3.909e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -73658,7 +72876,6 @@ N(5) 3.304e-06 NO3- 3.304e-06 3.151e-06 -5.481 -5.502 -0.021 29.50 Na 9.012e-06 Na+ 9.012e-06 8.601e-06 -5.045 -5.065 -0.020 -1.46 - NaOH 8.603e-23 8.606e-23 -22.065 -22.065 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73719,7 +72936,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.781e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.915e-19 + Total alkalinity (eq/kg) = 2.632e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.708e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -73756,7 +72973,6 @@ N(5) 5.849e-06 NO3- 5.849e-06 5.577e-06 -5.233 -5.254 -0.021 29.50 Na 1.628e-05 Na+ 1.628e-05 1.554e-05 -4.788 -4.809 -0.020 -1.46 - NaOH 1.554e-22 1.555e-22 -21.808 -21.808 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73817,9 +73033,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.767e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.087e-19 + Total alkalinity (eq/kg) = 1.084e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.105e-15 + Electrical balance (eq) = 8.106e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -73854,7 +73070,6 @@ N(5) 9.796e-06 NO3- 9.796e-06 9.342e-06 -5.009 -5.030 -0.021 29.50 Na 2.802e-05 Na+ 2.802e-05 2.675e-05 -4.552 -4.573 -0.020 -1.46 - NaOH 2.676e-22 2.677e-22 -21.572 -21.572 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -73915,9 +73130,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.745e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.858e-19 + Total alkalinity (eq/kg) = 7.820e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.966e-15 + Electrical balance (eq) = 8.967e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -73952,7 +73167,6 @@ N(5) 1.572e-05 NO3- 1.572e-05 1.499e-05 -4.804 -4.824 -0.020 29.50 Na 4.655e-05 Na+ 4.655e-05 4.445e-05 -4.332 -4.352 -0.020 -1.46 - NaOH 4.448e-22 4.450e-22 -21.352 -21.352 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74013,9 +73227,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.711e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.075e-19 + Total alkalinity (eq/kg) = 1.757e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.596e-15 + Electrical balance (eq) = 9.597e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -74050,7 +73264,6 @@ N(5) 2.429e-05 NO3- 2.429e-05 2.319e-05 -4.615 -4.635 -0.020 29.50 Na 7.510e-05 Na+ 7.510e-05 7.174e-05 -4.124 -4.144 -0.020 -1.46 - NaOH 7.180e-22 7.183e-22 -21.144 -21.144 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74111,7 +73324,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.657e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.834e-19 + Total alkalinity (eq/kg) = 3.720e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.015e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -74148,7 +73361,6 @@ N(5) 3.632e-05 NO3- 3.632e-05 3.469e-05 -4.440 -4.460 -0.020 29.50 Na 1.181e-04 Na+ 1.181e-04 1.129e-04 -3.928 -3.947 -0.020 -1.46 - NaOH 1.130e-21 1.131e-21 -20.947 -20.947 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74209,9 +73421,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.579e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.866e-20 + Total alkalinity (eq/kg) = -4.719e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.049e-14 + Electrical balance (eq) = 1.048e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -74246,7 +73458,6 @@ N(5) 5.266e-05 NO3- 5.266e-05 5.035e-05 -4.278 -4.298 -0.020 29.50 Na 1.812e-04 Na+ 1.812e-04 1.734e-04 -3.742 -3.761 -0.019 -1.47 - NaOH 1.737e-21 1.737e-21 -20.760 -20.760 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74307,9 +73518,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.473e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.476e-20 + Total alkalinity (eq/kg) = -7.605e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.508e-15 + Electrical balance (eq) = 9.507e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -74344,7 +73555,6 @@ N(5) 7.422e-05 NO3- 7.422e-05 7.106e-05 -4.129 -4.148 -0.019 29.50 Na 2.696e-04 Na+ 2.696e-04 2.583e-04 -3.569 -3.588 -0.018 -1.47 - NaOH 2.590e-21 2.591e-21 -20.587 -20.587 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74405,7 +73615,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.344e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.904e-19 + Total alkalinity (eq/kg) = -5.295e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 8.414e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -74442,7 +73652,6 @@ N(5) 1.018e-04 NO3- 1.018e-04 9.770e-05 -3.992 -4.010 -0.018 29.49 Na 3.846e-04 Na+ 3.846e-04 3.693e-04 -3.415 -3.433 -0.018 -1.47 - NaOH 3.706e-21 3.707e-21 -20.431 -20.431 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74503,7 +73712,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.203e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.557e-19 + Total alkalinity (eq/kg) = -2.573e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 7.149e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -74540,7 +73749,6 @@ N(5) 1.363e-04 NO3- 1.363e-04 1.310e-04 -3.866 -3.883 -0.017 29.49 Na 5.204e-04 Na+ 5.204e-04 5.006e-04 -3.284 -3.301 -0.017 -1.47 - NaOH 5.030e-21 5.031e-21 -20.298 -20.298 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74601,9 +73809,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.091e-19 + Total alkalinity (eq/kg) = 1.577e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.819e-15 + Electrical balance (eq) = 5.818e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -74638,7 +73846,6 @@ N(5) 1.780e-04 NO3- 1.780e-04 1.711e-04 -3.750 -3.767 -0.017 29.49 Na 6.305e-04 Na+ 6.305e-04 6.066e-04 -3.200 -3.217 -0.017 -1.47 - NaOH 6.095e-21 6.097e-21 -20.215 -20.215 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74699,9 +73906,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.154e-19 + Total alkalinity (eq/kg) = 4.485e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.585e-15 + Electrical balance (eq) = 4.586e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -74736,7 +73943,6 @@ N(5) 2.272e-04 NO3- 2.272e-04 2.184e-04 -3.644 -3.661 -0.017 29.49 Na 7.364e-04 Na+ 7.364e-04 7.085e-04 -3.133 -3.150 -0.017 -1.47 - NaOH 7.119e-21 7.121e-21 -20.148 -20.147 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74797,9 +74003,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.691e-19 + Total alkalinity (eq/kg) = 5.824e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.497e-15 + Electrical balance (eq) = 3.498e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -74834,7 +74040,6 @@ N(5) 2.837e-04 NO3- 2.837e-04 2.728e-04 -3.547 -3.564 -0.017 29.49 Na 8.274e-04 Na+ 8.274e-04 7.960e-04 -3.082 -3.099 -0.017 -1.47 - NaOH 7.999e-21 8.001e-21 -20.097 -20.097 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74895,9 +74100,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.014e-18 + Total alkalinity (eq/kg) = 6.281e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.570e-15 + Electrical balance (eq) = 2.571e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -74932,7 +74137,6 @@ N(5) 3.470e-04 NO3- 3.470e-04 3.336e-04 -3.460 -3.477 -0.017 29.49 Na 8.967e-04 Na+ 8.967e-04 8.627e-04 -3.047 -3.064 -0.017 -1.47 - NaOH 8.669e-21 8.671e-21 -20.062 -20.062 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -74993,9 +74197,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.019e-18 + Total alkalinity (eq/kg) = 2.653e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.797e-15 + Electrical balance (eq) = 1.798e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -75030,7 +74234,6 @@ N(5) 4.159e-04 NO3- 4.159e-04 3.999e-04 -3.381 -3.398 -0.017 29.49 Na 9.432e-04 Na+ 9.432e-04 9.074e-04 -3.025 -3.042 -0.017 -1.47 - NaOH 9.118e-21 9.120e-21 -20.040 -20.040 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75091,9 +74294,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.546e-19 + Total alkalinity (eq/kg) = 3.489e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.153e-15 + Electrical balance (eq) = 1.154e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75128,7 +74331,6 @@ N(5) 4.892e-04 NO3- 4.892e-04 4.703e-04 -3.311 -3.328 -0.017 29.49 Na 9.709e-04 Na+ 9.709e-04 9.341e-04 -3.013 -3.030 -0.017 -1.47 - NaOH 9.385e-21 9.388e-21 -20.028 -20.027 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75187,9 +74389,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.551e-18 + Total alkalinity (eq/kg) = 7.865e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.082e-16 + Electrical balance (eq) = 6.095e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75221,7 +74423,6 @@ N(5) 5.651e-04 NO3- 5.651e-04 5.433e-04 -3.248 -3.265 -0.017 29.49 Na 9.859e-04 Na+ 9.859e-04 9.485e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.530e-21 9.533e-21 -20.021 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75280,9 +74481,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.791e-18 + Total alkalinity (eq/kg) = 1.401e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.434e-16 + Electrical balance (eq) = 1.439e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75314,7 +74515,6 @@ N(5) 6.417e-04 NO3- 6.417e-04 6.170e-04 -3.193 -3.210 -0.017 29.49 Na 9.934e-04 Na+ 9.934e-04 9.558e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.603e-21 9.606e-21 -20.018 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75373,9 +74573,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.055e-18 + Total alkalinity (eq/kg) = 1.765e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.562e-16 + Electrical balance (eq) = -2.555e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75407,7 +74607,6 @@ N(5) 7.172e-04 NO3- 7.172e-04 6.895e-04 -3.144 -3.161 -0.017 29.49 Na 9.971e-04 Na+ 9.971e-04 9.593e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.638e-21 9.641e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75466,9 +74665,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.658e-18 + Total alkalinity (eq/kg) = 2.758e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.119e-16 + Electrical balance (eq) = -6.121e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75500,7 +74699,6 @@ N(5) 7.896e-04 NO3- 7.896e-04 7.592e-04 -3.103 -3.120 -0.017 29.49 Na 9.987e-04 Na+ 9.987e-04 9.609e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.654e-21 9.657e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75559,9 +74757,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.008e-18 + Total alkalinity (eq/kg) = 3.585e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.544e-16 + Electrical balance (eq) = -9.546e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75593,7 +74791,6 @@ N(5) 8.574e-04 NO3- 8.574e-04 8.243e-04 -3.067 -3.084 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75652,7 +74849,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.916e-18 + Total alkalinity (eq/kg) = 3.988e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.296e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -75686,7 +74883,6 @@ N(5) 9.193e-04 NO3- 9.193e-04 8.838e-04 -3.037 -3.054 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75745,9 +74941,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.586e-18 + Total alkalinity (eq/kg) = 3.924e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.632e-15 + Electrical balance (eq) = -1.633e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75779,7 +74975,6 @@ N(5) 9.744e-04 NO3- 9.744e-04 9.368e-04 -3.011 -3.028 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75838,7 +75033,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.481e-18 + Total alkalinity (eq/kg) = 4.395e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.945e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -75872,7 +75067,6 @@ N(5) 1.022e-03 NO3- 1.022e-03 9.828e-04 -2.990 -3.008 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -75931,9 +75125,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.555e-18 + Total alkalinity (eq/kg) = 4.900e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.217e-15 + Electrical balance (eq) = -2.218e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -75965,7 +75159,6 @@ N(5) 1.063e-03 NO3- 1.063e-03 1.022e-03 -2.974 -2.991 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76024,9 +75217,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.801e-18 + Total alkalinity (eq/kg) = 6.075e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.435e-15 + Electrical balance (eq) = -2.436e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -76058,7 +75251,6 @@ N(5) 1.096e-03 NO3- 1.096e-03 1.054e-03 -2.960 -2.977 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76117,7 +75309,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.811e-18 + Total alkalinity (eq/kg) = 5.597e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.600e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -76151,7 +75343,6 @@ N(5) 1.123e-03 NO3- 1.123e-03 1.080e-03 -2.950 -2.967 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76210,7 +75401,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.852e-18 + Total alkalinity (eq/kg) = 5.616e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.715e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -76244,7 +75435,6 @@ N(5) 1.144e-03 NO3- 1.144e-03 1.100e-03 -2.941 -2.959 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76303,9 +75493,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.816e-18 + Total alkalinity (eq/kg) = 5.259e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.783e-15 + Electrical balance (eq) = -2.784e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -76337,7 +75527,6 @@ N(5) 1.161e-03 NO3- 1.161e-03 1.116e-03 -2.935 -2.952 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76396,9 +75585,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.955e-18 + Total alkalinity (eq/kg) = 4.850e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.802e-15 + Electrical balance (eq) = -2.800e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -76430,7 +75619,6 @@ N(5) 1.173e-03 NO3- 1.173e-03 1.127e-03 -2.931 -2.948 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76489,7 +75677,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.160e-18 + Total alkalinity (eq/kg) = 4.260e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.758e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -76523,7 +75711,6 @@ N(5) 1.182e-03 NO3- 1.182e-03 1.136e-03 -2.928 -2.945 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76582,9 +75769,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.611e-18 + Total alkalinity (eq/kg) = 3.261e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.655e-15 + Electrical balance (eq) = -2.654e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -76616,7 +75803,6 @@ N(5) 1.188e-03 NO3- 1.188e-03 1.142e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76675,7 +75861,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.873e-18 + Total alkalinity (eq/kg) = 3.068e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.500e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -76709,7 +75895,6 @@ N(5) 1.192e-03 NO3- 1.192e-03 1.146e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76768,9 +75953,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.103e-18 + Total alkalinity (eq/kg) = 2.738e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.303e-15 + Electrical balance (eq) = -2.305e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -76802,7 +75987,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76861,9 +76045,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.820e-18 + Total alkalinity (eq/kg) = 2.593e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.074e-15 + Electrical balance (eq) = -2.075e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -76895,7 +76079,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -76954,9 +76137,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.756e-18 + Total alkalinity (eq/kg) = 2.682e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.821e-15 + Electrical balance (eq) = -1.823e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -76988,7 +76171,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77047,9 +76229,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.498e-18 + Total alkalinity (eq/kg) = 2.254e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.584e-15 + Electrical balance (eq) = -1.586e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -77081,7 +76263,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77140,9 +76321,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.463e-18 + Total alkalinity (eq/kg) = 2.116e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.441e-15 + Electrical balance (eq) = -1.443e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -77174,7 +76355,6 @@ N(5) 1.199e-03 NO3- 1.199e-03 1.153e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77214,7 +76394,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -77245,7 +76425,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77372,9 +76551,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.506e-19 + Total alkalinity (eq/kg) = 9.333e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.055e-15 + Electrical balance (eq) = 1.053e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -77409,7 +76588,6 @@ N(5) 7.420e-07 NO3- 7.420e-07 7.073e-07 -6.130 -6.150 -0.021 29.50 Na 2.018e-06 Na+ 2.018e-06 1.925e-06 -5.695 -5.715 -0.020 -1.46 - NaOH 1.926e-23 1.926e-23 -22.715 -22.715 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77470,9 +76648,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.503e-19 + Total alkalinity (eq/kg) = 3.833e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.883e-15 + Electrical balance (eq) = 1.882e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -77507,7 +76685,6 @@ N(5) 1.305e-06 NO3- 1.305e-06 1.244e-06 -5.884 -5.905 -0.021 29.50 Na 3.581e-06 Na+ 3.581e-06 3.417e-06 -5.446 -5.466 -0.020 -1.46 - NaOH 3.418e-23 3.419e-23 -22.466 -22.466 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77568,9 +76745,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.792e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.987e-19 + Total alkalinity (eq/kg) = 1.110e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.569e-15 + Electrical balance (eq) = 3.568e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -77605,7 +76782,6 @@ N(5) 2.467e-06 NO3- 2.467e-06 2.352e-06 -5.608 -5.629 -0.021 29.50 Na 6.859e-06 Na+ 6.859e-06 6.546e-06 -5.164 -5.184 -0.020 -1.46 - NaOH 6.547e-23 6.550e-23 -22.184 -22.184 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77666,9 +76842,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.785e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.236e-18 + Total alkalinity (eq/kg) = 1.055e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.133e-15 + Electrical balance (eq) = 6.136e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -77703,7 +76879,6 @@ N(5) 4.386e-06 NO3- 4.386e-06 4.182e-06 -5.358 -5.379 -0.021 29.50 Na 1.243e-05 Na+ 1.243e-05 1.186e-05 -4.906 -4.926 -0.020 -1.46 - NaOH 1.187e-22 1.187e-22 -21.926 -21.926 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77764,9 +76939,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.774e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.993e-19 + Total alkalinity (eq/kg) = 7.249e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.595e-15 + Electrical balance (eq) = 7.596e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -77801,7 +76976,6 @@ N(5) 7.384e-06 NO3- 7.384e-06 7.041e-06 -5.132 -5.152 -0.021 29.50 Na 2.148e-05 Na+ 2.148e-05 2.050e-05 -4.668 -4.688 -0.020 -1.46 - NaOH 2.051e-22 2.052e-22 -21.688 -21.688 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77862,9 +77036,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.757e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.721e-19 + Total alkalinity (eq/kg) = 1.259e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.611e-15 + Electrical balance (eq) = 8.612e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -77899,7 +77073,6 @@ N(5) 1.192e-05 NO3- 1.192e-05 1.137e-05 -4.924 -4.944 -0.021 29.50 Na 3.584e-05 Na+ 3.584e-05 3.422e-05 -4.446 -4.466 -0.020 -1.46 - NaOH 3.423e-22 3.424e-22 -21.466 -21.465 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -77960,9 +77133,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.730e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.704e-19 + Total alkalinity (eq/kg) = 6.975e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.361e-15 + Electrical balance (eq) = 9.363e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -77997,7 +77170,6 @@ N(5) 1.855e-05 NO3- 1.855e-05 1.770e-05 -4.732 -4.752 -0.020 29.50 Na 5.806e-05 Na+ 5.806e-05 5.546e-05 -4.236 -4.256 -0.020 -1.46 - NaOH 5.549e-22 5.551e-22 -21.256 -21.256 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78058,7 +77230,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.687e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.963e-19 + Total alkalinity (eq/kg) = -1.993e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 9.989e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -78095,7 +77267,6 @@ N(5) 2.794e-05 NO3- 2.794e-05 2.668e-05 -4.554 -4.574 -0.020 29.50 Na 9.177e-05 Na+ 9.177e-05 8.769e-05 -4.037 -4.057 -0.020 -1.46 - NaOH 8.778e-22 8.781e-22 -21.057 -21.056 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78156,7 +77327,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.623e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.518e-19 + Total alkalinity (eq/kg) = -2.406e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.074e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -78193,7 +77364,6 @@ N(5) 4.086e-05 NO3- 4.086e-05 3.904e-05 -4.389 -4.408 -0.020 29.50 Na 1.421e-04 Na+ 1.421e-04 1.359e-04 -3.847 -3.867 -0.019 -1.47 - NaOH 1.361e-21 1.361e-21 -20.866 -20.866 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78254,7 +77424,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.528e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.407e-19 + Total alkalinity (eq/kg) = -4.292e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.126e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -78291,7 +77461,6 @@ N(5) 5.812e-05 NO3- 5.812e-05 5.560e-05 -4.236 -4.255 -0.019 29.50 Na 2.153e-04 Na+ 2.153e-04 2.062e-04 -3.667 -3.686 -0.019 -1.47 - NaOH 2.066e-21 2.067e-21 -20.685 -20.685 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78352,7 +77521,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.401e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.552e-20 + Total alkalinity (eq/kg) = -5.052e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 9.725e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -78389,7 +77558,6 @@ N(5) 8.053e-05 NO3- 8.053e-05 7.719e-05 -4.094 -4.112 -0.018 29.49 Na 3.149e-04 Na+ 3.149e-04 3.021e-04 -3.502 -3.520 -0.018 -1.47 - NaOH 3.030e-21 3.031e-21 -20.519 -20.518 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78450,9 +77618,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.269e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.721e-20 + Total alkalinity (eq/kg) = -1.109e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.367e-15 + Electrical balance (eq) = 8.366e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -78487,7 +77655,6 @@ N(5) 1.089e-04 NO3- 1.089e-04 1.046e-04 -3.963 -3.981 -0.018 29.49 Na 4.350e-04 Na+ 4.350e-04 4.181e-04 -3.362 -3.379 -0.017 -1.47 - NaOH 4.198e-21 4.200e-21 -20.377 -20.377 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78548,9 +77715,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.324e-20 + Total alkalinity (eq/kg) = -2.600e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.121e-15 + Electrical balance (eq) = 7.120e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -78585,7 +77752,6 @@ N(5) 1.438e-04 NO3- 1.438e-04 1.382e-04 -3.842 -3.859 -0.017 29.49 Na 5.572e-04 Na+ 5.572e-04 5.361e-04 -3.254 -3.271 -0.017 -1.47 - NaOH 5.387e-21 5.388e-21 -20.269 -20.269 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78646,9 +77812,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.682e-20 + Total alkalinity (eq/kg) = -3.436e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.897e-15 + Electrical balance (eq) = 5.896e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -78683,7 +77849,6 @@ N(5) 1.857e-04 NO3- 1.857e-04 1.785e-04 -3.731 -3.748 -0.017 29.49 Na 6.660e-04 Na+ 6.660e-04 6.407e-04 -3.177 -3.193 -0.017 -1.47 - NaOH 6.438e-21 6.440e-21 -20.191 -20.191 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78744,7 +77909,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.282e-19 + Total alkalinity (eq/kg) = 1.939e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.723e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -78781,7 +77946,6 @@ N(5) 2.347e-04 NO3- 2.347e-04 2.256e-04 -3.630 -3.647 -0.017 29.49 Na 7.669e-04 Na+ 7.669e-04 7.378e-04 -3.115 -3.132 -0.017 -1.47 - NaOH 7.413e-21 7.415e-21 -20.130 -20.130 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78842,9 +78006,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.065e-19 + Total alkalinity (eq/kg) = 3.030e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.659e-15 + Electrical balance (eq) = 3.658e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -78879,7 +78043,6 @@ N(5) 2.906e-04 NO3- 2.906e-04 2.794e-04 -3.537 -3.554 -0.017 29.49 Na 8.506e-04 Na+ 8.506e-04 8.183e-04 -3.070 -3.087 -0.017 -1.47 - NaOH 8.223e-21 8.225e-21 -20.085 -20.085 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -78940,9 +78103,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.273e-19 + Total alkalinity (eq/kg) = 2.046e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.730e-15 + Electrical balance (eq) = 2.732e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -78977,7 +78140,6 @@ N(5) 3.528e-04 NO3- 3.528e-04 3.392e-04 -3.452 -3.470 -0.017 29.49 Na 9.122e-04 Na+ 9.122e-04 8.776e-04 -3.040 -3.057 -0.017 -1.47 - NaOH 8.818e-21 8.821e-21 -20.055 -20.054 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79038,9 +78200,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.577e-19 + Total alkalinity (eq/kg) = 6.424e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.941e-15 + Electrical balance (eq) = 1.943e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79075,7 +78237,6 @@ N(5) 4.203e-04 NO3- 4.203e-04 4.041e-04 -3.376 -3.393 -0.017 29.49 Na 9.523e-04 Na+ 9.523e-04 9.162e-04 -3.021 -3.038 -0.017 -1.47 - NaOH 9.206e-21 9.208e-21 -20.036 -20.036 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79136,9 +78297,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.905e-19 + Total alkalinity (eq/kg) = 7.763e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.273e-15 + Electrical balance (eq) = 1.275e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79173,7 +78334,6 @@ N(5) 4.919e-04 NO3- 4.919e-04 4.729e-04 -3.308 -3.325 -0.017 29.49 Na 9.757e-04 Na+ 9.757e-04 9.387e-04 -3.011 -3.027 -0.017 -1.47 - NaOH 9.432e-21 9.434e-21 -20.025 -20.025 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79232,9 +78392,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.019e-18 + Total alkalinity (eq/kg) = 8.585e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.036e-16 + Electrical balance (eq) = 7.054e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79266,7 +78426,6 @@ N(5) 5.659e-04 NO3- 5.659e-04 5.440e-04 -3.247 -3.264 -0.017 29.49 Na 9.882e-04 Na+ 9.882e-04 9.507e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.553e-21 9.555e-21 -20.020 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79325,9 +78484,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.605e-18 + Total alkalinity (eq/kg) = 9.540e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.172e-16 + Electrical balance (eq) = 2.184e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79359,7 +78518,6 @@ N(5) 6.405e-04 NO3- 6.405e-04 6.158e-04 -3.193 -3.211 -0.017 29.49 Na 9.945e-04 Na+ 9.945e-04 9.568e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.613e-21 9.616e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79418,9 +78576,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.812e-18 + Total alkalinity (eq/kg) = 1.878e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.061e-16 + Electrical balance (eq) = -2.054e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79452,7 +78610,6 @@ N(5) 7.141e-04 NO3- 7.141e-04 6.866e-04 -3.146 -3.163 -0.017 29.49 Na 9.975e-04 Na+ 9.975e-04 9.597e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.643e-21 9.645e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79511,9 +78668,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.452e-18 + Total alkalinity (eq/kg) = 2.845e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.839e-16 + Electrical balance (eq) = -5.836e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79545,7 +78702,6 @@ N(5) 7.849e-04 NO3- 7.849e-04 7.546e-04 -3.105 -3.122 -0.017 29.49 Na 9.989e-04 Na+ 9.989e-04 9.611e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.656e-21 9.659e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79604,9 +78760,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.295e-18 + Total alkalinity (eq/kg) = 3.522e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.371e-16 + Electrical balance (eq) = -9.374e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79638,7 +78794,6 @@ N(5) 8.514e-04 NO3- 8.514e-04 8.185e-04 -3.070 -3.087 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79697,7 +78852,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.921e-18 + Total alkalinity (eq/kg) = 4.127e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.278e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -79731,7 +78886,6 @@ N(5) 9.124e-04 NO3- 9.124e-04 8.772e-04 -3.040 -3.057 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79790,7 +78944,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.268e-18 + Total alkalinity (eq/kg) = 4.247e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.604e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -79824,7 +78978,6 @@ N(5) 9.670e-04 NO3- 9.670e-04 9.297e-04 -3.015 -3.032 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79883,9 +79036,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.402e-18 + Total alkalinity (eq/kg) = 4.863e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.903e-15 + Electrical balance (eq) = -1.904e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -79917,7 +79070,6 @@ N(5) 1.015e-03 NO3- 1.015e-03 9.756e-04 -2.994 -3.011 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -79976,7 +79128,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.710e-18 + Total alkalinity (eq/kg) = 5.786e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.162e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80010,7 +79162,6 @@ N(5) 1.056e-03 NO3- 1.056e-03 1.015e-03 -2.977 -2.994 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80069,9 +79220,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.628e-18 + Total alkalinity (eq/kg) = 6.269e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.372e-15 + Electrical balance (eq) = -2.373e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -80103,7 +79254,6 @@ N(5) 1.090e-03 NO3- 1.090e-03 1.047e-03 -2.963 -2.980 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80162,7 +79312,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.833e-18 + Total alkalinity (eq/kg) = 5.798e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.529e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80196,7 +79346,6 @@ N(5) 1.117e-03 NO3- 1.117e-03 1.074e-03 -2.952 -2.969 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80255,7 +79404,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.968e-18 + Total alkalinity (eq/kg) = 5.705e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.641e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80289,7 +79438,6 @@ N(5) 1.139e-03 NO3- 1.139e-03 1.095e-03 -2.943 -2.960 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80348,9 +79496,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.714e-18 + Total alkalinity (eq/kg) = 5.274e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.710e-15 + Electrical balance (eq) = -2.711e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -80382,7 +79530,6 @@ N(5) 1.156e-03 NO3- 1.156e-03 1.112e-03 -2.937 -2.954 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80441,7 +79588,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.961e-18 + Total alkalinity (eq/kg) = 5.326e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.732e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80475,7 +79622,6 @@ N(5) 1.169e-03 NO3- 1.169e-03 1.124e-03 -2.932 -2.949 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80534,7 +79680,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.044e-18 + Total alkalinity (eq/kg) = 4.236e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.699e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80568,7 +79714,6 @@ N(5) 1.179e-03 NO3- 1.179e-03 1.133e-03 -2.929 -2.946 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80627,7 +79772,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.389e-18 + Total alkalinity (eq/kg) = 4.152e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.609e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80661,7 +79806,6 @@ N(5) 1.186e-03 NO3- 1.186e-03 1.140e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80720,7 +79864,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.944e-18 + Total alkalinity (eq/kg) = 3.767e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.469e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80754,7 +79898,6 @@ N(5) 1.191e-03 NO3- 1.191e-03 1.145e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80813,7 +79956,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.276e-18 + Total alkalinity (eq/kg) = 3.409e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.287e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -80847,7 +79990,6 @@ N(5) 1.194e-03 NO3- 1.194e-03 1.148e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80906,9 +80048,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.416e-18 + Total alkalinity (eq/kg) = 2.258e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.079e-15 + Electrical balance (eq) = -2.080e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -80940,7 +80082,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -80999,9 +80140,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.974e-18 + Total alkalinity (eq/kg) = 2.366e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.886e-15 + Electrical balance (eq) = -1.889e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81033,7 +80174,6 @@ N(5) 1.197e-03 NO3- 1.197e-03 1.151e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81092,9 +80232,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.308e-18 + Total alkalinity (eq/kg) = 2.874e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.768e-15 + Electrical balance (eq) = -1.770e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81126,7 +80266,6 @@ N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81166,7 +80305,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -81197,7 +80336,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81324,9 +80462,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.734e-19 + Total alkalinity (eq/kg) = 4.870e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.403e-16 + Electrical balance (eq) = 9.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81361,7 +80499,6 @@ N(5) 5.520e-07 NO3- 5.520e-07 5.263e-07 -6.258 -6.279 -0.021 29.50 Na 1.531e-06 Na+ 1.531e-06 1.461e-06 -5.815 -5.835 -0.020 -1.46 - NaOH 1.462e-23 1.462e-23 -22.835 -22.835 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81422,9 +80559,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.590e-19 + Total alkalinity (eq/kg) = 6.187e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.681e-15 + Electrical balance (eq) = 1.680e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -81459,7 +80596,6 @@ N(5) 9.733e-07 NO3- 9.733e-07 9.279e-07 -6.012 -6.033 -0.021 29.50 Na 2.723e-06 Na+ 2.723e-06 2.598e-06 -5.565 -5.585 -0.020 -1.46 - NaOH 2.599e-23 2.600e-23 -22.585 -22.585 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81520,9 +80656,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.794e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.170e-19 + Total alkalinity (eq/kg) = 7.530e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.294e-15 + Electrical balance (eq) = 4.295e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81557,7 +80693,6 @@ N(5) 1.845e-06 NO3- 1.845e-06 1.759e-06 -5.734 -5.755 -0.021 29.50 Na 5.227e-06 Na+ 5.227e-06 4.988e-06 -5.282 -5.302 -0.020 -1.46 - NaOH 4.989e-23 4.991e-23 -22.302 -22.302 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81618,9 +80753,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.669e-19 + Total alkalinity (eq/kg) = 4.625e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.505e-15 + Electrical balance (eq) = 5.506e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81655,7 +80790,6 @@ N(5) 3.293e-06 NO3- 3.293e-06 3.140e-06 -5.482 -5.503 -0.021 29.50 Na 9.500e-06 Na+ 9.500e-06 9.067e-06 -5.022 -5.043 -0.020 -1.46 - NaOH 9.069e-23 9.072e-23 -22.042 -22.042 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81716,9 +80850,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.780e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.006e-19 + Total alkalinity (eq/kg) = 2.758e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.952e-15 + Electrical balance (eq) = 6.954e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81753,7 +80887,6 @@ N(5) 5.571e-06 NO3- 5.571e-06 5.312e-06 -5.254 -5.275 -0.021 29.50 Na 1.647e-05 Na+ 1.647e-05 1.572e-05 -4.783 -4.803 -0.020 -1.46 - NaOH 1.573e-22 1.573e-22 -21.803 -21.803 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81814,9 +80947,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.766e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.093e-19 + Total alkalinity (eq/kg) = 9.075e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.061e-15 + Electrical balance (eq) = 8.063e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81851,7 +80984,6 @@ N(5) 9.042e-06 NO3- 9.042e-06 8.623e-06 -5.044 -5.064 -0.021 29.50 Na 2.759e-05 Na+ 2.759e-05 2.634e-05 -4.559 -4.579 -0.020 -1.46 - NaOH 2.635e-22 2.636e-22 -21.579 -21.579 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -81912,9 +81044,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.744e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.413e-19 + Total alkalinity (eq/kg) = 2.972e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.962e-15 + Electrical balance (eq) = 8.966e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -81949,7 +81081,6 @@ N(5) 1.416e-05 NO3- 1.416e-05 1.351e-05 -4.849 -4.869 -0.020 29.50 Na 4.492e-05 Na+ 4.492e-05 4.289e-05 -4.348 -4.368 -0.020 -1.46 - NaOH 4.292e-22 4.293e-22 -21.367 -21.367 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82010,9 +81141,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.710e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.124e-19 + Total alkalinity (eq/kg) = 5.018e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.734e-15 + Electrical balance (eq) = 9.738e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -82047,7 +81178,6 @@ N(5) 2.149e-05 NO3- 2.149e-05 2.051e-05 -4.668 -4.688 -0.020 29.50 Na 7.137e-05 Na+ 7.137e-05 6.818e-05 -4.146 -4.166 -0.020 -1.46 - NaOH 6.824e-22 6.826e-22 -21.166 -21.166 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82108,7 +81238,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.659e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.998e-19 + Total alkalinity (eq/kg) = 3.510e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.046e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -82145,7 +81275,6 @@ N(5) 3.167e-05 NO3- 3.167e-05 3.024e-05 -4.499 -4.519 -0.020 29.50 Na 1.110e-04 Na+ 1.110e-04 1.061e-04 -3.955 -3.974 -0.020 -1.46 - NaOH 1.062e-21 1.063e-21 -20.974 -20.974 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82206,7 +81335,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.583e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.901e-20 + Total alkalinity (eq/kg) = 7.720e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.102e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -82243,7 +81372,6 @@ N(5) 4.542e-05 NO3- 4.542e-05 4.342e-05 -4.343 -4.362 -0.020 29.50 Na 1.690e-04 Na+ 1.690e-04 1.617e-04 -3.772 -3.791 -0.019 -1.47 - NaOH 1.620e-21 1.620e-21 -20.791 -20.790 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82304,9 +81432,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.479e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.002e-19 + Total alkalinity (eq/kg) = -1.967e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.042e-14 + Electrical balance (eq) = 1.041e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -82341,7 +81469,6 @@ N(5) 6.351e-05 NO3- 6.351e-05 6.081e-05 -4.197 -4.216 -0.019 29.50 Na 2.506e-04 Na+ 2.506e-04 2.402e-04 -3.601 -3.619 -0.019 -1.47 - NaOH 2.408e-21 2.409e-21 -20.618 -20.618 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82402,7 +81529,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.349e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.844e-20 + Total alkalinity (eq/kg) = -5.416e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 9.541e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -82439,7 +81566,6 @@ N(5) 8.670e-05 NO3- 8.670e-05 8.317e-05 -4.062 -4.080 -0.018 29.49 Na 3.581e-04 Na+ 3.581e-04 3.438e-04 -3.446 -3.464 -0.018 -1.47 - NaOH 3.450e-21 3.451e-21 -20.462 -20.462 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82500,9 +81626,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.205e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.871e-19 + Total alkalinity (eq/kg) = -1.259e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.406e-15 + Electrical balance (eq) = 8.404e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -82537,7 +81663,6 @@ N(5) 1.157e-04 NO3- 1.157e-04 1.112e-04 -3.937 -3.954 -0.017 29.49 Na 4.866e-04 Na+ 4.866e-04 4.682e-04 -3.313 -3.330 -0.017 -1.47 - NaOH 4.704e-21 4.705e-21 -20.328 -20.327 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82598,9 +81723,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.842e-19 + Total alkalinity (eq/kg) = 1.930e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.173e-15 + Electrical balance (eq) = 7.172e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -82635,7 +81760,6 @@ N(5) 1.510e-04 NO3- 1.510e-04 1.452e-04 -3.821 -3.838 -0.017 29.49 Na 5.940e-04 Na+ 5.940e-04 5.714e-04 -3.226 -3.243 -0.017 -1.47 - NaOH 5.742e-21 5.744e-21 -20.241 -20.241 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82696,9 +81820,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.426e-20 + Total alkalinity (eq/kg) = 2.446e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.964e-15 + Electrical balance (eq) = 5.963e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -82733,7 +81857,6 @@ N(5) 1.930e-04 NO3- 1.930e-04 1.856e-04 -3.714 -3.732 -0.017 29.49 Na 7.000e-04 Na+ 7.000e-04 6.734e-04 -3.155 -3.172 -0.017 -1.47 - NaOH 6.767e-21 6.768e-21 -20.170 -20.170 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82794,9 +81917,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.304e-20 + Total alkalinity (eq/kg) = -4.196e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.831e-15 + Electrical balance (eq) = 4.829e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -82831,7 +81954,6 @@ N(5) 2.418e-04 NO3- 2.418e-04 2.324e-04 -3.617 -3.634 -0.017 29.49 Na 7.950e-04 Na+ 7.950e-04 7.648e-04 -3.100 -3.116 -0.017 -1.47 - NaOH 7.685e-21 7.687e-21 -20.114 -20.114 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82892,7 +82014,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.461e-20 + Total alkalinity (eq/kg) = 1.875e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.793e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -82929,7 +82051,6 @@ N(5) 2.971e-04 NO3- 2.971e-04 2.856e-04 -3.527 -3.544 -0.017 29.49 Na 8.713e-04 Na+ 8.713e-04 8.383e-04 -3.060 -3.077 -0.017 -1.47 - NaOH 8.423e-21 8.425e-21 -20.075 -20.074 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -82990,9 +82111,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.873e-19 + Total alkalinity (eq/kg) = 5.861e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.870e-15 + Electrical balance (eq) = 2.872e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -83027,7 +82148,6 @@ N(5) 3.583e-04 NO3- 3.583e-04 3.444e-04 -3.446 -3.463 -0.017 29.49 Na 9.257e-04 Na+ 9.257e-04 8.906e-04 -3.034 -3.050 -0.017 -1.47 - NaOH 8.948e-21 8.951e-21 -20.048 -20.048 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83088,9 +82208,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.031e-18 + Total alkalinity (eq/kg) = 5.960e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.068e-15 + Electrical balance (eq) = 2.070e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83125,7 +82245,6 @@ N(5) 4.244e-04 NO3- 4.244e-04 4.081e-04 -3.372 -3.389 -0.017 29.49 Na 9.601e-04 Na+ 9.601e-04 9.237e-04 -3.018 -3.034 -0.017 -1.47 - NaOH 9.281e-21 9.283e-21 -20.032 -20.032 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83184,9 +82303,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.019e-18 + Total alkalinity (eq/kg) = 1.437e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.382e-15 + Electrical balance (eq) = 1.383e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83218,7 +82337,6 @@ N(5) 4.944e-04 NO3- 4.944e-04 4.753e-04 -3.306 -3.323 -0.017 29.49 Na 9.797e-04 Na+ 9.797e-04 9.426e-04 -3.009 -3.026 -0.017 -1.47 - NaOH 9.471e-21 9.473e-21 -20.024 -20.023 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83277,9 +82395,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.379e-18 + Total alkalinity (eq/kg) = 1.545e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.922e-16 + Electrical balance (eq) = 7.939e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83311,7 +82429,6 @@ N(5) 5.666e-04 NO3- 5.666e-04 5.447e-04 -3.247 -3.264 -0.017 29.49 Na 9.902e-04 Na+ 9.902e-04 9.526e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.572e-21 9.574e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83370,9 +82487,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.835e-18 + Total alkalinity (eq/kg) = 1.850e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.860e-16 + Electrical balance (eq) = 2.864e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83404,7 +82521,6 @@ N(5) 6.394e-04 NO3- 6.394e-04 6.147e-04 -3.194 -3.211 -0.017 29.49 Na 9.954e-04 Na+ 9.954e-04 9.577e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.622e-21 9.625e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83463,9 +82579,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.743e-18 + Total alkalinity (eq/kg) = 2.438e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.559e-16 + Electrical balance (eq) = -1.540e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83497,7 +82613,6 @@ N(5) 7.113e-04 NO3- 7.113e-04 6.838e-04 -3.148 -3.165 -0.017 29.49 Na 9.979e-04 Na+ 9.979e-04 9.601e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.646e-21 9.649e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83556,9 +82671,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.269e-18 + Total alkalinity (eq/kg) = 2.529e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.512e-16 + Electrical balance (eq) = -5.496e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83590,7 +82705,6 @@ N(5) 7.805e-04 NO3- 7.805e-04 7.504e-04 -3.108 -3.125 -0.017 29.49 Na 9.991e-04 Na+ 9.991e-04 9.612e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.657e-21 9.660e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83649,9 +82763,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.780e-18 + Total alkalinity (eq/kg) = 3.878e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.130e-16 + Electrical balance (eq) = -9.118e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83683,7 +82797,6 @@ N(5) 8.457e-04 NO3- 8.457e-04 8.131e-04 -3.073 -3.090 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83742,9 +82855,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.516e-18 + Total alkalinity (eq/kg) = 4.123e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.255e-15 + Electrical balance (eq) = -1.253e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -83776,7 +82889,6 @@ N(5) 9.058e-04 NO3- 9.058e-04 8.709e-04 -3.043 -3.060 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83835,7 +82947,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.421e-18 + Total alkalinity (eq/kg) = 5.315e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.572e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -83869,7 +82981,6 @@ N(5) 9.599e-04 NO3- 9.599e-04 9.229e-04 -3.018 -3.035 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -83928,7 +83039,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.620e-18 + Total alkalinity (eq/kg) = 6.119e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.861e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -83962,7 +83073,6 @@ N(5) 1.008e-03 NO3- 1.008e-03 9.687e-04 -2.997 -3.014 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84021,9 +83131,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.667e-18 + Total alkalinity (eq/kg) = 6.552e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.110e-15 + Electrical balance (eq) = -2.112e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -84055,7 +83165,6 @@ N(5) 1.048e-03 NO3- 1.048e-03 1.008e-03 -2.979 -2.997 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84114,9 +83223,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.803e-18 + Total alkalinity (eq/kg) = 6.948e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.311e-15 + Electrical balance (eq) = -2.313e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -84148,7 +83257,6 @@ N(5) 1.083e-03 NO3- 1.083e-03 1.041e-03 -2.965 -2.982 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84207,7 +83315,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.736e-18 + Total alkalinity (eq/kg) = 6.810e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.464e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -84241,7 +83349,6 @@ N(5) 1.111e-03 NO3- 1.111e-03 1.068e-03 -2.954 -2.971 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84300,7 +83407,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.294e-18 + Total alkalinity (eq/kg) = 6.025e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.573e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -84334,7 +83441,6 @@ N(5) 1.134e-03 NO3- 1.134e-03 1.090e-03 -2.945 -2.962 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84393,9 +83499,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.998e-18 + Total alkalinity (eq/kg) = 5.587e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.642e-15 + Electrical balance (eq) = -2.643e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -84427,7 +83533,6 @@ N(5) 1.152e-03 NO3- 1.152e-03 1.107e-03 -2.939 -2.956 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84486,7 +83591,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.229e-18 + Total alkalinity (eq/kg) = 5.950e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.668e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -84520,7 +83625,6 @@ N(5) 1.166e-03 NO3- 1.166e-03 1.121e-03 -2.933 -2.951 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84579,9 +83683,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.867e-18 + Total alkalinity (eq/kg) = 5.086e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.641e-15 + Electrical balance (eq) = -2.642e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -84613,7 +83717,6 @@ N(5) 1.176e-03 NO3- 1.176e-03 1.131e-03 -2.930 -2.947 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84672,9 +83775,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.477e-18 + Total alkalinity (eq/kg) = 4.358e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.562e-15 + Electrical balance (eq) = -2.561e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -84706,7 +83809,6 @@ N(5) 1.184e-03 NO3- 1.184e-03 1.138e-03 -2.927 -2.944 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84765,9 +83867,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.555e-18 + Total alkalinity (eq/kg) = 3.901e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.435e-15 + Electrical balance (eq) = -2.434e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -84799,7 +83901,6 @@ N(5) 1.189e-03 NO3- 1.189e-03 1.143e-03 -2.925 -2.942 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84858,9 +83959,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.318e-18 + Total alkalinity (eq/kg) = 3.797e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.280e-15 + Electrical balance (eq) = -2.279e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -84892,7 +83993,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -84951,7 +84051,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.539e-18 + Total alkalinity (eq/kg) = 3.397e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.129e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -84985,7 +84085,6 @@ N(5) 1.195e-03 NO3- 1.195e-03 1.149e-03 -2.923 -2.940 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85044,9 +84143,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.842e-18 + Total alkalinity (eq/kg) = 3.744e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.036e-15 + Electrical balance (eq) = -2.037e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -85078,7 +84177,6 @@ N(5) 1.196e-03 NO3- 1.196e-03 1.150e-03 -2.922 -2.939 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85118,7 +84216,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -85149,7 +84247,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85276,9 +84373,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.144e-19 + Total alkalinity (eq/kg) = 4.395e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.680e-16 + Electrical balance (eq) = 8.668e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -85313,7 +84410,6 @@ N(5) 4.116e-07 NO3- 4.116e-07 3.923e-07 -6.386 -6.406 -0.021 29.50 Na 1.164e-06 Na+ 1.164e-06 1.111e-06 -5.934 -5.954 -0.020 -1.46 - NaOH 1.111e-23 1.112e-23 -22.954 -22.954 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85374,7 +84470,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.223e-19 + Total alkalinity (eq/kg) = -1.183e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.601e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -85411,7 +84507,6 @@ N(5) 7.271e-07 NO3- 7.271e-07 6.932e-07 -6.138 -6.159 -0.021 29.50 Na 2.073e-06 Na+ 2.073e-06 1.978e-06 -5.683 -5.704 -0.020 -1.46 - NaOH 1.979e-23 1.979e-23 -22.704 -22.703 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85472,7 +84567,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.146e-19 + Total alkalinity (eq/kg) = 5.009e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.947e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -85509,7 +84604,6 @@ N(5) 1.383e-06 NO3- 1.383e-06 1.318e-06 -5.859 -5.880 -0.021 29.50 Na 3.988e-06 Na+ 3.988e-06 3.806e-06 -5.399 -5.420 -0.020 -1.46 - NaOH 3.807e-23 3.808e-23 -22.419 -22.419 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85570,9 +84664,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.135e-19 + Total alkalinity (eq/kg) = 1.014e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.158e-15 + Electrical balance (eq) = 5.159e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -85607,7 +84701,6 @@ N(5) 2.476e-06 NO3- 2.476e-06 2.361e-06 -5.606 -5.627 -0.021 29.50 Na 7.268e-06 Na+ 7.268e-06 6.936e-06 -5.139 -5.159 -0.020 -1.46 - NaOH 6.938e-23 6.941e-23 -22.159 -22.159 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85668,9 +84761,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.784e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.021e-20 + Total alkalinity (eq/kg) = 1.035e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.492e-15 + Electrical balance (eq) = 6.493e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -85705,7 +84798,6 @@ N(5) 4.207e-06 NO3- 4.207e-06 4.011e-06 -5.376 -5.397 -0.021 29.50 Na 1.264e-05 Na+ 1.264e-05 1.207e-05 -4.898 -4.918 -0.020 -1.46 - NaOH 1.207e-22 1.208e-22 -21.918 -21.918 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85766,9 +84858,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.774e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.850e-19 + Total alkalinity (eq/kg) = 1.275e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.529e-15 + Electrical balance (eq) = 7.532e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -85803,7 +84895,6 @@ N(5) 6.864e-06 NO3- 6.864e-06 6.545e-06 -5.163 -5.184 -0.021 29.50 Na 2.126e-05 Na+ 2.126e-05 2.029e-05 -4.673 -4.693 -0.020 -1.46 - NaOH 2.030e-22 2.030e-22 -21.693 -21.692 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85864,9 +84955,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.756e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.923e-21 + Total alkalinity (eq/kg) = 1.269e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.432e-15 + Electrical balance (eq) = 8.434e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -85901,7 +84992,6 @@ N(5) 1.081e-05 NO3- 1.081e-05 1.031e-05 -4.966 -4.987 -0.021 29.50 Na 3.474e-05 Na+ 3.474e-05 3.317e-05 -4.459 -4.479 -0.020 -1.46 - NaOH 3.319e-22 3.320e-22 -21.479 -21.479 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -85962,9 +85052,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.729e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.991e-20 + Total alkalinity (eq/kg) = 4.822e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.243e-15 + Electrical balance (eq) = 9.247e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -85999,7 +85089,6 @@ N(5) 1.651e-05 NO3- 1.651e-05 1.576e-05 -4.782 -4.803 -0.020 29.50 Na 5.542e-05 Na+ 5.542e-05 5.294e-05 -4.256 -4.276 -0.020 -1.46 - NaOH 5.297e-22 5.299e-22 -21.276 -21.276 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86060,9 +85149,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.688e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.659e-19 + Total alkalinity (eq/kg) = 1.128e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.003e-14 + Electrical balance (eq) = 1.004e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -86097,7 +85186,6 @@ N(5) 2.451e-05 NO3- 2.451e-05 2.340e-05 -4.611 -4.631 -0.020 29.50 Na 8.659e-05 Na+ 8.659e-05 8.275e-05 -4.063 -4.082 -0.020 -1.46 - NaOH 8.283e-22 8.286e-22 -21.082 -21.082 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86158,7 +85246,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.625e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.465e-19 + Total alkalinity (eq/kg) = 6.983e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.099e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -86195,7 +85283,6 @@ N(5) 3.544e-05 NO3- 3.544e-05 3.386e-05 -4.451 -4.470 -0.020 29.50 Na 1.330e-04 Na+ 1.330e-04 1.272e-04 -3.876 -3.896 -0.019 -1.46 - NaOH 1.273e-21 1.274e-21 -20.895 -20.895 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86256,7 +85343,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.533e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.246e-19 + Total alkalinity (eq/kg) = 5.487e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -86293,7 +85380,6 @@ N(5) 4.997e-05 NO3- 4.997e-05 4.781e-05 -4.301 -4.320 -0.019 29.50 Na 2.003e-04 Na+ 2.003e-04 1.917e-04 -3.698 -3.717 -0.019 -1.47 - NaOH 1.922e-21 1.922e-21 -20.716 -20.716 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86354,9 +85440,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.410e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.037e-19 + Total alkalinity (eq/kg) = -1.969e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.054e-14 + Electrical balance (eq) = 1.055e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -86391,7 +85477,6 @@ N(5) 6.884e-05 NO3- 6.884e-05 6.597e-05 -4.162 -4.181 -0.018 29.49 Na 2.919e-04 Na+ 2.919e-04 2.800e-04 -3.535 -3.553 -0.018 -1.47 - NaOH 2.809e-21 2.809e-21 -20.552 -20.551 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86452,9 +85537,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.283e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.071e-19 + Total alkalinity (eq/kg) = -5.180e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.408e-15 + Electrical balance (eq) = 9.409e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -86489,7 +85574,6 @@ N(5) 9.273e-05 NO3- 9.273e-05 8.903e-05 -4.033 -4.050 -0.018 29.49 Na 4.038e-04 Na+ 4.038e-04 3.880e-04 -3.394 -3.411 -0.017 -1.47 - NaOH 3.896e-21 3.897e-21 -20.409 -20.409 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86550,9 +85634,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.083e-19 + Total alkalinity (eq/kg) = 1.109e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.308e-15 + Electrical balance (eq) = 8.307e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -86587,7 +85671,6 @@ N(5) 1.223e-04 NO3- 1.223e-04 1.175e-04 -3.913 -3.930 -0.017 29.49 Na 5.232e-04 Na+ 5.232e-04 5.033e-04 -3.281 -3.298 -0.017 -1.47 - NaOH 5.058e-21 5.059e-21 -20.296 -20.296 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86648,9 +85731,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.632e-20 + Total alkalinity (eq/kg) = -8.308e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.174e-15 + Electrical balance (eq) = 7.172e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -86685,7 +85768,6 @@ N(5) 1.579e-04 NO3- 1.579e-04 1.518e-04 -3.802 -3.819 -0.017 29.49 Na 6.297e-04 Na+ 6.297e-04 6.058e-04 -3.201 -3.218 -0.017 -1.47 - NaOH 6.087e-21 6.089e-21 -20.216 -20.215 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86746,9 +85828,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.499e-20 + Total alkalinity (eq/kg) = 6.995e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.031e-15 + Electrical balance (eq) = 6.030e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -86783,7 +85865,6 @@ N(5) 2.000e-04 NO3- 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 29.49 Na 7.320e-04 Na+ 7.320e-04 7.043e-04 -3.135 -3.152 -0.017 -1.47 - NaOH 7.076e-21 7.078e-21 -20.150 -20.150 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86844,7 +85925,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.114e-19 + Total alkalinity (eq/kg) = 1.350e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.938e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -86881,7 +85962,6 @@ N(5) 2.485e-04 NO3- 2.485e-04 2.389e-04 -3.605 -3.622 -0.017 29.49 Na 8.208e-04 Na+ 8.208e-04 7.896e-04 -3.086 -3.103 -0.017 -1.47 - NaOH 7.934e-21 7.936e-21 -20.100 -20.100 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -86942,7 +86022,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.774e-19 + Total alkalinity (eq/kg) = 5.646e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.943e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -86979,7 +86059,6 @@ N(5) 3.031e-04 NO3- 3.031e-04 2.914e-04 -3.518 -3.535 -0.017 29.49 Na 8.897e-04 Na+ 8.897e-04 8.560e-04 -3.051 -3.068 -0.017 -1.47 - NaOH 8.601e-21 8.603e-21 -20.065 -20.065 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87040,7 +86119,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.660e-19 + Total alkalinity (eq/kg) = 6.031e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 3.058e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -87077,7 +86156,6 @@ N(5) 3.634e-04 NO3- 3.634e-04 3.493e-04 -3.440 -3.457 -0.017 29.49 Na 9.373e-04 Na+ 9.373e-04 9.018e-04 -3.028 -3.045 -0.017 -1.47 - NaOH 9.061e-21 9.063e-21 -20.043 -20.043 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87138,9 +86216,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.037e-18 + Total alkalinity (eq/kg) = 4.390e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.268e-15 + Electrical balance (eq) = 2.267e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -87175,7 +86253,6 @@ N(5) 4.283e-04 NO3- 4.283e-04 4.118e-04 -3.368 -3.385 -0.017 29.49 Na 9.666e-04 Na+ 9.666e-04 9.300e-04 -3.015 -3.032 -0.017 -1.47 - NaOH 9.344e-21 9.346e-21 -20.029 -20.029 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87234,9 +86311,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.868e-19 + Total alkalinity (eq/kg) = 7.050e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.552e-15 + Electrical balance (eq) = 1.553e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -87268,7 +86345,6 @@ N(5) 4.967e-04 NO3- 4.967e-04 4.775e-04 -3.304 -3.321 -0.017 29.49 Na 9.831e-04 Na+ 9.831e-04 9.458e-04 -3.007 -3.024 -0.017 -1.47 - NaOH 9.503e-21 9.506e-21 -20.022 -20.022 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87327,9 +86403,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.453e-18 + Total alkalinity (eq/kg) = 1.385e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.225e-16 + Electrical balance (eq) = 9.240e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -87361,7 +86437,6 @@ N(5) 5.672e-04 NO3- 5.672e-04 5.453e-04 -3.246 -3.263 -0.017 29.49 Na 9.918e-04 Na+ 9.918e-04 9.542e-04 -3.004 -3.020 -0.017 -1.47 - NaOH 9.587e-21 9.590e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87420,9 +86495,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.311e-18 + Total alkalinity (eq/kg) = 1.797e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.977e-16 + Electrical balance (eq) = 3.992e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -87454,7 +86529,6 @@ N(5) 6.384e-04 NO3- 6.384e-04 6.138e-04 -3.195 -3.212 -0.017 29.49 Na 9.962e-04 Na+ 9.962e-04 9.584e-04 -3.002 -3.018 -0.017 -1.47 - NaOH 9.629e-21 9.632e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87513,9 +86587,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.729e-18 + Total alkalinity (eq/kg) = 2.560e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.045e-17 + Electrical balance (eq) = -3.864e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -87547,7 +86621,6 @@ N(5) 7.086e-04 NO3- 7.086e-04 6.813e-04 -3.150 -3.167 -0.017 29.49 Na 9.983e-04 Na+ 9.983e-04 9.604e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.649e-21 9.652e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87606,9 +86679,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.615e-18 + Total alkalinity (eq/kg) = 2.822e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.362e-16 + Electrical balance (eq) = -4.341e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -87640,7 +86713,6 @@ N(5) 7.764e-04 NO3- 7.764e-04 7.464e-04 -3.110 -3.127 -0.017 29.49 Na 9.992e-04 Na+ 9.992e-04 9.614e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.659e-21 9.661e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87699,9 +86771,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.724e-18 + Total alkalinity (eq/kg) = 3.775e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.218e-16 + Electrical balance (eq) = -8.201e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -87733,7 +86805,6 @@ N(5) 8.405e-04 NO3- 8.405e-04 8.080e-04 -3.075 -3.093 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87792,7 +86863,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.214e-18 + Total alkalinity (eq/kg) = 4.260e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.193e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -87826,7 +86897,6 @@ N(5) 8.997e-04 NO3- 8.997e-04 8.650e-04 -3.046 -3.063 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87885,7 +86955,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.379e-18 + Total alkalinity (eq/kg) = 5.428e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.529e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -87919,7 +86989,6 @@ N(5) 9.532e-04 NO3- 9.532e-04 9.165e-04 -3.021 -3.038 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -87978,9 +87047,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.658e-18 + Total alkalinity (eq/kg) = 6.692e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.817e-15 + Electrical balance (eq) = -1.820e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -88012,7 +87081,6 @@ N(5) 1.001e-03 NO3- 1.001e-03 9.621e-04 -3.000 -3.017 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88071,7 +87139,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.790e-18 + Total alkalinity (eq/kg) = 6.685e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.061e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -88105,7 +87173,6 @@ N(5) 1.042e-03 NO3- 1.042e-03 1.002e-03 -2.982 -2.999 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88164,9 +87231,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.411e-18 + Total alkalinity (eq/kg) = 6.965e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.254e-15 + Electrical balance (eq) = -2.255e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -88198,7 +87265,6 @@ N(5) 1.077e-03 NO3- 1.077e-03 1.035e-03 -2.968 -2.985 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88257,7 +87323,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.407e-18 + Total alkalinity (eq/kg) = 6.976e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.403e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -88291,7 +87357,6 @@ N(5) 1.105e-03 NO3- 1.105e-03 1.063e-03 -2.956 -2.974 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88350,7 +87415,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.925e-18 + Total alkalinity (eq/kg) = 6.555e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.510e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -88384,7 +87449,6 @@ N(5) 1.129e-03 NO3- 1.129e-03 1.085e-03 -2.947 -2.964 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88443,9 +87507,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.069e-18 + Total alkalinity (eq/kg) = 5.923e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.578e-15 + Electrical balance (eq) = -2.579e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -88477,7 +87541,6 @@ N(5) 1.148e-03 NO3- 1.148e-03 1.103e-03 -2.940 -2.957 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88536,9 +87599,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.798e-18 + Total alkalinity (eq/kg) = 5.821e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.608e-15 + Electrical balance (eq) = -2.607e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -88570,7 +87633,6 @@ N(5) 1.162e-03 NO3- 1.162e-03 1.117e-03 -2.935 -2.952 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88629,9 +87691,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.016e-18 + Total alkalinity (eq/kg) = 5.954e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.587e-15 + Electrical balance (eq) = -2.586e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -88663,7 +87725,6 @@ N(5) 1.173e-03 NO3- 1.173e-03 1.128e-03 -2.931 -2.948 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88722,7 +87783,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.653e-18 + Total alkalinity (eq/kg) = 5.663e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.520e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -88756,7 +87817,6 @@ N(5) 1.181e-03 NO3- 1.181e-03 1.136e-03 -2.928 -2.945 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88815,9 +87875,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.169e-18 + Total alkalinity (eq/kg) = 5.500e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.416e-15 + Electrical balance (eq) = -2.417e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -88849,7 +87909,6 @@ N(5) 1.187e-03 NO3- 1.187e-03 1.141e-03 -2.926 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -88908,9 +87967,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.871e-18 + Total alkalinity (eq/kg) = 3.986e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.311e-15 + Electrical balance (eq) = -2.313e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -88942,7 +88001,6 @@ N(5) 1.191e-03 NO3- 1.191e-03 1.145e-03 -2.924 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89001,9 +88059,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.767e-18 + Total alkalinity (eq/kg) = 3.616e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.244e-15 + Electrical balance (eq) = -2.243e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89035,7 +88093,6 @@ N(5) 1.193e-03 NO3- 1.193e-03 1.147e-03 -2.923 -2.941 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89075,7 +88132,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -89106,7 +88163,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89233,9 +88289,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.177e-20 + Total alkalinity (eq/kg) = 7.537e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.912e-16 + Electrical balance (eq) = 7.911e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89270,7 +88326,6 @@ N(5) 3.074e-07 NO3- 3.074e-07 2.931e-07 -6.512 -6.533 -0.021 29.50 Na 8.864e-07 Na+ 8.864e-07 8.459e-07 -6.052 -6.073 -0.020 -1.46 - NaOH 8.460e-24 8.463e-24 -23.073 -23.072 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89331,9 +88386,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.610e-19 + Total alkalinity (eq/kg) = -1.845e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.461e-15 + Electrical balance (eq) = 1.460e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -89368,7 +88423,6 @@ N(5) 5.441e-07 NO3- 5.441e-07 5.187e-07 -6.264 -6.285 -0.021 29.50 Na 1.580e-06 Na+ 1.580e-06 1.508e-06 -5.801 -5.822 -0.020 -1.46 - NaOH 1.508e-23 1.509e-23 -22.821 -22.821 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89429,9 +88483,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.513e-19 + Total alkalinity (eq/kg) = -1.204e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.509e-15 + Electrical balance (eq) = 3.508e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89466,7 +88520,6 @@ N(5) 1.037e-06 NO3- 1.037e-06 9.890e-07 -5.984 -6.005 -0.021 29.50 Na 3.047e-06 Na+ 3.047e-06 2.908e-06 -5.516 -5.536 -0.020 -1.46 - NaOH 2.908e-23 2.909e-23 -22.536 -22.536 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89527,9 +88580,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.103e-19 + Total alkalinity (eq/kg) = -1.342e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.675e-15 + Electrical balance (eq) = 4.676e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89564,7 +88617,6 @@ N(5) 1.864e-06 NO3- 1.864e-06 1.777e-06 -5.729 -5.750 -0.021 29.50 Na 5.566e-06 Na+ 5.566e-06 5.312e-06 -5.254 -5.275 -0.020 -1.46 - NaOH 5.313e-23 5.315e-23 -22.275 -22.275 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89625,9 +88677,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.788e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.522e-20 + Total alkalinity (eq/kg) = 7.711e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.952e-15 + Electrical balance (eq) = 5.956e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89662,7 +88714,6 @@ N(5) 3.180e-06 NO3- 3.180e-06 3.032e-06 -5.498 -5.518 -0.021 29.50 Na 9.711e-06 Na+ 9.711e-06 9.268e-06 -5.013 -5.033 -0.020 -1.46 - NaOH 9.270e-23 9.274e-23 -22.033 -22.033 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89723,9 +88774,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.779e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.110e-19 + Total alkalinity (eq/kg) = 8.153e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.978e-15 + Electrical balance (eq) = 6.980e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89760,7 +88811,6 @@ N(5) 5.213e-06 NO3- 5.213e-06 4.971e-06 -5.283 -5.304 -0.021 29.50 Na 1.638e-05 Na+ 1.638e-05 1.563e-05 -4.786 -4.806 -0.020 -1.46 - NaOH 1.564e-22 1.565e-22 -21.806 -21.806 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89821,9 +88871,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.765e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.390e-19 + Total alkalinity (eq/kg) = 1.359e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.885e-15 + Electrical balance (eq) = 7.891e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89858,7 +88908,6 @@ N(5) 8.258e-06 NO3- 8.258e-06 7.876e-06 -5.083 -5.104 -0.021 29.50 Na 2.687e-05 Na+ 2.687e-05 2.565e-05 -4.571 -4.591 -0.020 -1.46 - NaOH 2.566e-22 2.567e-22 -21.591 -21.591 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -89919,9 +88968,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.744e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.620e-19 + Total alkalinity (eq/kg) = 7.895e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.738e-15 + Electrical balance (eq) = 8.744e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -89956,7 +89005,6 @@ N(5) 1.269e-05 NO3- 1.269e-05 1.210e-05 -4.897 -4.917 -0.020 29.50 Na 4.306e-05 Na+ 4.306e-05 4.112e-05 -4.366 -4.386 -0.020 -1.46 - NaOH 4.114e-22 4.116e-22 -21.386 -21.386 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90017,9 +89065,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.711e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.324e-19 + Total alkalinity (eq/kg) = 7.894e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.578e-15 + Electrical balance (eq) = 9.582e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -90054,7 +89102,6 @@ N(5) 1.896e-05 NO3- 1.896e-05 1.810e-05 -4.722 -4.742 -0.020 29.50 Na 6.759e-05 Na+ 6.759e-05 6.457e-05 -4.170 -4.190 -0.020 -1.46 - NaOH 6.462e-22 6.464e-22 -21.190 -21.189 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90115,9 +89162,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.660e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.997e-19 + Total alkalinity (eq/kg) = 6.668e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.046e-14 + Electrical balance (eq) = 1.047e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -90152,7 +89199,6 @@ N(5) 2.761e-05 NO3- 2.761e-05 2.637e-05 -4.559 -4.579 -0.020 29.50 Na 1.041e-04 Na+ 1.041e-04 9.955e-05 -3.982 -4.002 -0.020 -1.46 - NaOH 9.967e-22 9.970e-22 -21.001 -21.001 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90213,7 +89259,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.586e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.061e-19 + Total alkalinity (eq/kg) = 4.585e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.129e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -90250,7 +89296,6 @@ N(5) 3.924e-05 NO3- 3.924e-05 3.751e-05 -4.406 -4.426 -0.020 29.50 Na 1.576e-04 Na+ 1.576e-04 1.508e-04 -3.803 -3.822 -0.019 -1.47 - NaOH 1.510e-21 1.511e-21 -20.821 -20.821 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90311,7 +89356,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.484e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.633e-19 + Total alkalinity (eq/kg) = 4.337e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.110e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -90348,7 +89393,6 @@ N(5) 5.451e-05 NO3- 5.451e-05 5.218e-05 -4.264 -4.282 -0.019 29.50 Na 2.332e-04 Na+ 2.332e-04 2.234e-04 -3.632 -3.651 -0.019 -1.47 - NaOH 2.240e-21 2.241e-21 -20.650 -20.650 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90409,7 +89453,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.354e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.808e-19 + Total alkalinity (eq/kg) = 1.431e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.064e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -90446,7 +89490,6 @@ N(5) 7.408e-05 NO3- 7.408e-05 7.105e-05 -4.130 -4.148 -0.018 29.49 Na 3.336e-04 Na+ 3.336e-04 3.202e-04 -3.477 -3.495 -0.018 -1.47 - NaOH 3.214e-21 3.215e-21 -20.493 -20.493 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90507,9 +89550,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.208e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.900e-19 + Total alkalinity (eq/kg) = -2.759e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.449e-15 + Electrical balance (eq) = 9.450e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -90544,7 +89587,6 @@ N(5) 9.859e-05 NO3- 9.859e-05 9.478e-05 -4.006 -4.023 -0.017 29.49 Na 4.550e-04 Na+ 4.550e-04 4.377e-04 -3.342 -3.359 -0.017 -1.47 - NaOH 4.397e-21 4.399e-21 -20.357 -20.357 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90605,9 +89647,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.460e-19 + Total alkalinity (eq/kg) = -8.173e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.321e-15 + Electrical balance (eq) = 8.320e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -90642,7 +89684,6 @@ N(5) 1.286e-04 NO3- 1.286e-04 1.236e-04 -3.891 -3.908 -0.017 29.49 Na 5.592e-04 Na+ 5.592e-04 5.380e-04 -3.252 -3.269 -0.017 -1.47 - NaOH 5.406e-21 5.408e-21 -20.267 -20.267 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90703,7 +89744,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.103e-19 + Total alkalinity (eq/kg) = 3.196e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 7.182e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -90740,7 +89781,6 @@ N(5) 1.645e-04 NO3- 1.645e-04 1.582e-04 -3.784 -3.801 -0.017 29.49 Na 6.644e-04 Na+ 6.644e-04 6.392e-04 -3.178 -3.194 -0.017 -1.47 - NaOH 6.423e-21 6.424e-21 -20.192 -20.192 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90801,7 +89841,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.899e-19 + Total alkalinity (eq/kg) = 1.679e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.079e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -90838,7 +89878,6 @@ N(5) 2.066e-04 NO3- 2.066e-04 1.986e-04 -3.685 -3.702 -0.017 29.49 Na 7.620e-04 Na+ 7.620e-04 7.331e-04 -3.118 -3.135 -0.017 -1.47 - NaOH 7.367e-21 7.369e-21 -20.133 -20.133 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90899,7 +89938,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.699e-19 + Total alkalinity (eq/kg) = 2.802e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.031e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -90936,7 +89975,6 @@ N(5) 2.548e-04 NO3- 2.548e-04 2.450e-04 -3.594 -3.611 -0.017 29.49 Na 8.442e-04 Na+ 8.442e-04 8.122e-04 -3.074 -3.090 -0.017 -1.47 - NaOH 8.161e-21 8.163e-21 -20.088 -20.088 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -90997,7 +90035,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.365e-19 + Total alkalinity (eq/kg) = -2.238e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.058e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -91034,7 +90072,6 @@ N(5) 3.089e-04 NO3- 3.089e-04 2.969e-04 -3.510 -3.527 -0.017 29.49 Na 9.060e-04 Na+ 9.060e-04 8.716e-04 -3.043 -3.060 -0.017 -1.47 - NaOH 8.758e-21 8.760e-21 -20.058 -20.057 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91095,7 +90132,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.777e-19 + Total alkalinity (eq/kg) = -1.974e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.175e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -91132,7 +90169,6 @@ N(5) 3.682e-04 NO3- 3.682e-04 3.540e-04 -3.434 -3.451 -0.017 29.49 Na 9.472e-04 Na+ 9.472e-04 9.113e-04 -3.024 -3.040 -0.017 -1.47 - NaOH 9.157e-21 9.159e-21 -20.038 -20.038 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91193,9 +90229,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.924e-19 + Total alkalinity (eq/kg) = 7.725e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.379e-15 + Electrical balance (eq) = 2.380e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -91230,7 +90266,6 @@ N(5) 4.319e-04 NO3- 4.319e-04 4.152e-04 -3.365 -3.382 -0.017 29.49 Na 9.721e-04 Na+ 9.721e-04 9.353e-04 -3.012 -3.029 -0.017 -1.47 - NaOH 9.397e-21 9.400e-21 -20.027 -20.027 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91289,7 +90324,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.368e-18 + Total alkalinity (eq/kg) = 8.272e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.664e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -91323,7 +90358,6 @@ N(5) 4.989e-04 NO3- 4.989e-04 4.796e-04 -3.302 -3.319 -0.017 29.49 Na 9.860e-04 Na+ 9.860e-04 9.486e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.531e-21 9.533e-21 -20.021 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91382,9 +90416,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.643e-18 + Total alkalinity (eq/kg) = 1.326e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.036e-15 + Electrical balance (eq) = 1.037e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -91416,7 +90450,6 @@ N(5) 5.679e-04 NO3- 5.679e-04 5.460e-04 -3.246 -3.263 -0.017 29.49 Na 9.932e-04 Na+ 9.932e-04 9.555e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.601e-21 9.603e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91475,9 +90508,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.248e-18 + Total alkalinity (eq/kg) = 1.730e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.995e-16 + Electrical balance (eq) = 5.017e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -91509,7 +90542,6 @@ N(5) 6.374e-04 NO3- 6.374e-04 6.128e-04 -3.196 -3.213 -0.017 29.49 Na 9.968e-04 Na+ 9.968e-04 9.590e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.635e-21 9.638e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91568,9 +90600,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.452e-18 + Total alkalinity (eq/kg) = 2.453e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.000e-17 + Electrical balance (eq) = 4.202e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -91602,7 +90634,6 @@ N(5) 7.061e-04 NO3- 7.061e-04 6.789e-04 -3.151 -3.168 -0.017 29.49 Na 9.985e-04 Na+ 9.985e-04 9.607e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.652e-21 9.655e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91661,9 +90692,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.314e-18 + Total alkalinity (eq/kg) = 3.213e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.740e-16 + Electrical balance (eq) = -3.724e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -91695,7 +90726,6 @@ N(5) 7.726e-04 NO3- 7.726e-04 7.428e-04 -3.112 -3.129 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.660e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91754,9 +90784,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.451e-18 + Total alkalinity (eq/kg) = 3.998e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.684e-16 + Electrical balance (eq) = -7.673e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -91788,7 +90818,6 @@ N(5) 8.355e-04 NO3- 8.355e-04 8.033e-04 -3.078 -3.095 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91847,7 +90876,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.124e-18 + Total alkalinity (eq/kg) = 4.743e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.141e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -91881,7 +90910,6 @@ N(5) 8.939e-04 NO3- 8.939e-04 8.594e-04 -3.049 -3.066 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -91940,7 +90968,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.330e-18 + Total alkalinity (eq/kg) = 5.342e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.477e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -91974,7 +91002,6 @@ N(5) 9.469e-04 NO3- 9.469e-04 9.104e-04 -3.024 -3.041 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92033,7 +91060,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.526e-18 + Total alkalinity (eq/kg) = 6.127e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.767e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -92067,7 +91094,6 @@ N(5) 9.941e-04 NO3- 9.941e-04 9.558e-04 -3.003 -3.020 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92126,9 +91152,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.246e-18 + Total alkalinity (eq/kg) = 7.239e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.008e-15 + Electrical balance (eq) = -2.009e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -92160,7 +91186,6 @@ N(5) 1.035e-03 NO3- 1.035e-03 9.953e-04 -2.985 -3.002 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92219,7 +91244,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.744e-18 + Total alkalinity (eq/kg) = 7.970e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.201e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -92253,7 +91278,6 @@ N(5) 1.070e-03 NO3- 1.070e-03 1.029e-03 -2.970 -2.988 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92312,7 +91336,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.369e-18 + Total alkalinity (eq/kg) = 7.274e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.345e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -92346,7 +91370,6 @@ N(5) 1.100e-03 NO3- 1.100e-03 1.057e-03 -2.959 -2.976 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92405,9 +91428,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.798e-18 + Total alkalinity (eq/kg) = 7.046e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.450e-15 + Electrical balance (eq) = -2.451e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -92439,7 +91462,6 @@ N(5) 1.124e-03 NO3- 1.124e-03 1.081e-03 -2.949 -2.966 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92498,9 +91520,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.622e-18 + Total alkalinity (eq/kg) = 6.077e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.520e-15 + Electrical balance (eq) = -2.519e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -92532,7 +91554,6 @@ N(5) 1.143e-03 NO3- 1.143e-03 1.099e-03 -2.942 -2.959 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92591,9 +91612,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.495e-18 + Total alkalinity (eq/kg) = 6.427e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.551e-15 + Electrical balance (eq) = -2.552e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -92625,7 +91646,6 @@ N(5) 1.158e-03 NO3- 1.158e-03 1.114e-03 -2.936 -2.953 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92684,9 +91704,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.033e-18 + Total alkalinity (eq/kg) = 5.867e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.539e-15 + Electrical balance (eq) = -2.540e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -92718,7 +91738,6 @@ N(5) 1.170e-03 NO3- 1.170e-03 1.125e-03 -2.932 -2.949 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92777,9 +91796,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.501e-18 + Total alkalinity (eq/kg) = 6.183e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.492e-15 + Electrical balance (eq) = -2.493e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -92811,7 +91830,6 @@ N(5) 1.179e-03 NO3- 1.179e-03 1.133e-03 -2.929 -2.946 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92870,9 +91888,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.192e-18 + Total alkalinity (eq/kg) = 5.507e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.432e-15 + Electrical balance (eq) = -2.433e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -92904,7 +91922,6 @@ N(5) 1.184e-03 NO3- 1.184e-03 1.139e-03 -2.927 -2.944 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -92963,9 +91980,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.579e-18 + Total alkalinity (eq/kg) = 4.917e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.495e-15 + Electrical balance (eq) = -3.496e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 2 Total H = 1.110124e+02 @@ -92997,7 +92014,6 @@ N(5) 1.187e-03 NO3- 1.187e-03 1.142e-03 -2.925 -2.943 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93037,7 +92053,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -93068,7 +92084,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93195,9 +92210,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.884e-20 + Total alkalinity (eq/kg) = -1.305e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.104e-16 + Electrical balance (eq) = 7.069e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -93232,7 +92247,6 @@ N(5) 2.300e-07 NO3- 2.300e-07 2.193e-07 -6.638 -6.659 -0.021 29.50 Na 6.757e-07 Na+ 6.757e-07 6.448e-07 -6.170 -6.191 -0.020 -1.46 - NaOH 6.449e-24 6.452e-24 -23.191 -23.190 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93293,9 +92307,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.331e-19 + Total alkalinity (eq/kg) = -2.892e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.302e-15 + Electrical balance (eq) = 1.300e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -93330,7 +92344,6 @@ N(5) 4.079e-07 NO3- 4.079e-07 3.888e-07 -6.389 -6.410 -0.021 29.50 Na 1.206e-06 Na+ 1.206e-06 1.151e-06 -5.918 -5.939 -0.020 -1.46 - NaOH 1.151e-23 1.152e-23 -22.939 -22.939 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93391,9 +92404,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.026e-18 + Total alkalinity (eq/kg) = -2.507e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.060e-15 + Electrical balance (eq) = 3.059e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -93428,7 +92441,6 @@ N(5) 7.795e-07 NO3- 7.795e-07 7.431e-07 -6.108 -6.129 -0.021 29.50 Na 2.330e-06 Na+ 2.330e-06 2.224e-06 -5.633 -5.653 -0.020 -1.46 - NaOH 2.224e-23 2.225e-23 -22.653 -22.653 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93489,9 +92501,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.373e-19 + Total alkalinity (eq/kg) = -7.506e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.147e-15 + Electrical balance (eq) = 4.148e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -93526,7 +92538,6 @@ N(5) 1.405e-06 NO3- 1.405e-06 1.340e-06 -5.852 -5.873 -0.021 29.50 Na 4.266e-06 Na+ 4.266e-06 4.071e-06 -5.370 -5.390 -0.020 -1.46 - NaOH 4.072e-23 4.074e-23 -22.390 -22.390 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93587,9 +92598,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.790e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.604e-19 + Total alkalinity (eq/kg) = 1.234e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.354e-15 + Electrical balance (eq) = 5.357e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -93624,7 +92635,6 @@ N(5) 2.406e-06 NO3- 2.406e-06 2.294e-06 -5.619 -5.639 -0.021 29.50 Na 7.464e-06 Na+ 7.464e-06 7.123e-06 -5.127 -5.147 -0.020 -1.46 - NaOH 7.125e-23 7.128e-23 -22.147 -22.147 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93685,9 +92695,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.784e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.278e-20 + Total alkalinity (eq/kg) = 7.095e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.371e-15 + Electrical balance (eq) = 6.373e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -93722,7 +92732,6 @@ N(5) 3.962e-06 NO3- 3.962e-06 3.778e-06 -5.402 -5.423 -0.021 29.50 Na 1.263e-05 Na+ 1.263e-05 1.205e-05 -4.899 -4.919 -0.020 -1.46 - NaOH 1.206e-22 1.206e-22 -21.919 -21.919 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93783,9 +92792,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.773e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.757e-19 + Total alkalinity (eq/kg) = 4.713e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.298e-15 + Electrical balance (eq) = 7.302e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -93820,7 +92829,6 @@ N(5) 6.308e-06 NO3- 6.308e-06 6.015e-06 -5.200 -5.221 -0.021 29.50 Na 2.079e-05 Na+ 2.079e-05 1.985e-05 -4.682 -4.702 -0.020 -1.46 - NaOH 1.985e-22 1.986e-22 -21.702 -21.702 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93881,9 +92889,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.756e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.134e-19 + Total alkalinity (eq/kg) = 1.198e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.173e-15 + Electrical balance (eq) = 8.178e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -93918,7 +92926,6 @@ N(5) 9.746e-06 NO3- 9.746e-06 9.297e-06 -5.011 -5.032 -0.021 29.50 Na 3.343e-05 Na+ 3.343e-05 3.192e-05 -4.476 -4.496 -0.020 -1.46 - NaOH 3.194e-22 3.195e-22 -21.496 -21.496 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -93979,9 +92986,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.729e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.120e-19 + Total alkalinity (eq/kg) = 5.835e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.011e-15 + Electrical balance (eq) = 9.016e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -94016,7 +93023,6 @@ N(5) 1.465e-05 NO3- 1.465e-05 1.398e-05 -4.834 -4.854 -0.020 29.50 Na 5.268e-05 Na+ 5.268e-05 5.031e-05 -4.278 -4.298 -0.020 -1.46 - NaOH 5.035e-22 5.037e-22 -21.298 -21.298 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94077,9 +93083,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.689e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.483e-19 + Total alkalinity (eq/kg) = 6.174e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.895e-15 + Electrical balance (eq) = 9.898e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -94114,7 +93120,6 @@ N(5) 2.148e-05 NO3- 2.148e-05 2.051e-05 -4.668 -4.688 -0.020 29.50 Na 8.153e-05 Na+ 8.153e-05 7.791e-05 -4.089 -4.108 -0.020 -1.46 - NaOH 7.799e-22 7.802e-22 -21.108 -21.108 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94175,9 +93180,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.628e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.701e-19 + Total alkalinity (eq/kg) = 1.907e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.098e-14 + Electrical balance (eq) = 1.099e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -94212,7 +93217,6 @@ N(5) 3.076e-05 NO3- 3.076e-05 2.939e-05 -4.512 -4.532 -0.020 29.50 Na 1.243e-04 Na+ 1.243e-04 1.189e-04 -3.906 -3.925 -0.019 -1.46 - NaOH 1.190e-21 1.191e-21 -20.924 -20.924 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94273,7 +93277,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.538e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.469e-19 + Total alkalinity (eq/kg) = 3.245e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.195e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -94310,7 +93314,6 @@ N(5) 4.306e-05 NO3- 4.306e-05 4.120e-05 -4.366 -4.385 -0.019 29.50 Na 1.862e-04 Na+ 1.862e-04 1.783e-04 -3.730 -3.749 -0.019 -1.47 - NaOH 1.787e-21 1.788e-21 -20.748 -20.748 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94371,7 +93374,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.419e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.247e-19 + Total alkalinity (eq/kg) = -6.445e-21 Temperature (°C) = 25.00 Electrical balance (eq) = 1.108e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -94408,7 +93411,6 @@ N(5) 5.901e-05 NO3- 5.901e-05 5.655e-05 -4.229 -4.248 -0.019 29.49 Na 2.708e-04 Na+ 2.708e-04 2.597e-04 -3.567 -3.586 -0.018 -1.47 - NaOH 2.605e-21 2.606e-21 -20.584 -20.584 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94469,7 +93471,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.295e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.689e-19 + Total alkalinity (eq/kg) = -8.400e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.024e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -94506,7 +93508,6 @@ N(5) 7.924e-05 NO3- 7.924e-05 7.607e-05 -4.101 -4.119 -0.018 29.49 Na 3.755e-04 Na+ 3.755e-04 3.607e-04 -3.425 -3.443 -0.017 -1.47 - NaOH 3.622e-21 3.623e-21 -20.441 -20.441 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94567,9 +93568,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.307e-19 + Total alkalinity (eq/kg) = -4.981e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.332e-15 + Electrical balance (eq) = 9.334e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -94604,7 +93605,6 @@ N(5) 1.043e-04 NO3- 1.043e-04 1.003e-04 -3.982 -3.999 -0.017 29.49 Na 4.911e-04 Na+ 4.911e-04 4.725e-04 -3.309 -3.326 -0.017 -1.47 - NaOH 4.748e-21 4.749e-21 -20.323 -20.323 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94665,9 +93665,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.053e-19 + Total alkalinity (eq/kg) = -4.317e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.304e-15 + Electrical balance (eq) = 8.305e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -94702,7 +93702,6 @@ N(5) 1.347e-04 NO3- 1.347e-04 1.295e-04 -3.871 -3.888 -0.017 29.49 Na 5.949e-04 Na+ 5.949e-04 5.723e-04 -3.226 -3.242 -0.017 -1.47 - NaOH 5.751e-21 5.752e-21 -20.240 -20.240 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94763,7 +93762,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.591e-20 + Total alkalinity (eq/kg) = -3.496e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 7.215e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -94800,7 +93799,6 @@ N(5) 1.709e-04 NO3- 1.709e-04 1.643e-04 -3.767 -3.784 -0.017 29.49 Na 6.975e-04 Na+ 6.975e-04 6.710e-04 -3.156 -3.173 -0.017 -1.47 - NaOH 6.743e-21 6.745e-21 -20.171 -20.171 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94861,7 +93859,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.798e-20 + Total alkalinity (eq/kg) = -5.447e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.137e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -94898,7 +93896,6 @@ N(5) 2.129e-04 NO3- 2.129e-04 2.047e-04 -3.672 -3.689 -0.017 29.49 Na 7.900e-04 Na+ 7.900e-04 7.600e-04 -3.102 -3.119 -0.017 -1.47 - NaOH 7.637e-21 7.639e-21 -20.117 -20.117 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -94959,9 +93956,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.822e-19 + Total alkalinity (eq/kg) = 3.833e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.109e-15 + Electrical balance (eq) = 5.108e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -94996,7 +93993,6 @@ N(5) 2.608e-04 NO3- 2.608e-04 2.508e-04 -3.584 -3.601 -0.017 29.49 Na 8.653e-04 Na+ 8.653e-04 8.325e-04 -3.063 -3.080 -0.017 -1.47 - NaOH 8.365e-21 8.367e-21 -20.078 -20.077 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95057,9 +94053,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.350e-19 + Total alkalinity (eq/kg) = -1.371e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.151e-15 + Electrical balance (eq) = 4.150e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -95094,7 +94090,6 @@ N(5) 3.143e-04 NO3- 3.143e-04 3.021e-04 -3.503 -3.520 -0.017 29.49 Na 9.201e-04 Na+ 9.201e-04 8.852e-04 -3.036 -3.053 -0.017 -1.47 - NaOH 8.895e-21 8.897e-21 -20.051 -20.051 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95155,9 +94150,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.617e-19 + Total alkalinity (eq/kg) = 1.690e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.271e-15 + Electrical balance (eq) = 3.270e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -95192,7 +94187,6 @@ N(5) 3.727e-04 NO3- 3.727e-04 3.583e-04 -3.429 -3.446 -0.017 29.49 Na 9.557e-04 Na+ 9.557e-04 9.195e-04 -3.020 -3.036 -0.017 -1.47 - NaOH 9.239e-21 9.242e-21 -20.034 -20.034 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95251,9 +94245,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.862e-19 + Total alkalinity (eq/kg) = -1.175e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.474e-15 + Electrical balance (eq) = 2.475e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -95285,7 +94279,6 @@ N(5) 4.352e-04 NO3- 4.352e-04 4.185e-04 -3.361 -3.378 -0.017 29.49 Na 9.768e-04 Na+ 9.768e-04 9.397e-04 -3.010 -3.027 -0.017 -1.47 - NaOH 9.442e-21 9.445e-21 -20.025 -20.025 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95344,7 +94337,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.251e-18 + Total alkalinity (eq/kg) = 1.016e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.761e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -95378,7 +94371,6 @@ N(5) 5.009e-04 NO3- 5.009e-04 4.816e-04 -3.300 -3.317 -0.017 29.49 Na 9.883e-04 Na+ 9.883e-04 9.508e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.554e-21 9.556e-21 -20.020 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95437,9 +94429,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.753e-18 + Total alkalinity (eq/kg) = 7.645e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.131e-15 + Electrical balance (eq) = 1.132e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -95471,7 +94463,6 @@ N(5) 5.685e-04 NO3- 5.685e-04 5.465e-04 -3.245 -3.262 -0.017 29.49 Na 9.943e-04 Na+ 9.943e-04 9.566e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.612e-21 9.614e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95530,9 +94521,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.432e-18 + Total alkalinity (eq/kg) = 1.829e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.845e-16 + Electrical balance (eq) = 5.857e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -95564,7 +94555,6 @@ N(5) 6.365e-04 NO3- 6.365e-04 6.120e-04 -3.196 -3.213 -0.017 29.49 Na 9.973e-04 Na+ 9.973e-04 9.595e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.641e-21 9.643e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95623,9 +94613,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.101e-18 + Total alkalinity (eq/kg) = 2.644e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.063e-16 + Electrical balance (eq) = 1.079e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -95657,7 +94647,6 @@ N(5) 7.038e-04 NO3- 7.038e-04 6.767e-04 -3.153 -3.170 -0.017 29.49 Na 9.988e-04 Na+ 9.988e-04 9.609e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.654e-21 9.657e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95716,7 +94705,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.285e-18 + Total alkalinity (eq/kg) = 3.110e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.226e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -95750,7 +94739,6 @@ N(5) 7.690e-04 NO3- 7.690e-04 7.393e-04 -3.114 -3.131 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95809,9 +94797,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.506e-18 + Total alkalinity (eq/kg) = 3.540e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.247e-16 + Electrical balance (eq) = -7.245e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -95843,7 +94831,6 @@ N(5) 8.308e-04 NO3- 8.308e-04 7.988e-04 -3.080 -3.098 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95902,7 +94889,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.514e-18 + Total alkalinity (eq/kg) = 4.774e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.095e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -95936,7 +94923,6 @@ N(5) 8.884e-04 NO3- 8.884e-04 8.541e-04 -3.051 -3.068 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -95995,9 +94981,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.367e-18 + Total alkalinity (eq/kg) = 5.443e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.428e-15 + Electrical balance (eq) = -1.427e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -96029,7 +95015,6 @@ N(5) 9.409e-04 NO3- 9.409e-04 9.046e-04 -3.026 -3.044 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96088,9 +95073,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.297e-18 + Total alkalinity (eq/kg) = 6.795e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.716e-15 + Electrical balance (eq) = -1.715e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -96122,7 +95107,6 @@ N(5) 9.879e-04 NO3- 9.879e-04 9.498e-04 -3.005 -3.022 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96181,7 +95165,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.400e-18 + Total alkalinity (eq/kg) = 7.055e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.956e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96215,7 +95199,6 @@ N(5) 1.029e-03 NO3- 1.029e-03 9.894e-04 -2.988 -3.005 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96274,7 +95257,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.337e-18 + Total alkalinity (eq/kg) = 7.548e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.146e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96308,7 +95291,6 @@ N(5) 1.064e-03 NO3- 1.064e-03 1.023e-03 -2.973 -2.990 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96367,9 +95349,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.152e-18 + Total alkalinity (eq/kg) = 7.707e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.290e-15 + Electrical balance (eq) = -2.292e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -96401,7 +95383,6 @@ N(5) 1.094e-03 NO3- 1.094e-03 1.052e-03 -2.961 -2.978 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96460,9 +95441,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.453e-18 + Total alkalinity (eq/kg) = 7.297e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.395e-15 + Electrical balance (eq) = -2.396e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -96494,7 +95475,6 @@ N(5) 1.119e-03 NO3- 1.119e-03 1.076e-03 -2.951 -2.968 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96553,7 +95533,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.372e-18 + Total alkalinity (eq/kg) = 7.190e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.466e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96587,7 +95567,6 @@ N(5) 1.139e-03 NO3- 1.139e-03 1.095e-03 -2.944 -2.961 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96646,7 +95625,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.314e-18 + Total alkalinity (eq/kg) = 6.756e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.503e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96680,7 +95659,6 @@ N(5) 1.155e-03 NO3- 1.155e-03 1.110e-03 -2.938 -2.955 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96739,7 +95717,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.263e-18 + Total alkalinity (eq/kg) = 6.584e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.507e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96773,7 +95751,6 @@ N(5) 1.167e-03 NO3- 1.167e-03 1.122e-03 -2.933 -2.950 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96832,7 +95809,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.473e-18 + Total alkalinity (eq/kg) = 5.848e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.489e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96866,7 +95843,6 @@ N(5) 1.175e-03 NO3- 1.175e-03 1.130e-03 -2.930 -2.947 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96925,7 +95901,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.253e-18 + Total alkalinity (eq/kg) = 6.266e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.138e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96959,7 +95935,6 @@ N(5) 1.179e-03 NO3- 1.179e-03 1.134e-03 -2.928 -2.946 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -96999,7 +95974,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -97030,7 +96005,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97157,9 +96131,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.168e-19 + Total alkalinity (eq/kg) = 3.450e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.215e-16 + Electrical balance (eq) = 6.206e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97194,7 +96168,6 @@ N(5) 1.724e-07 NO3- 1.724e-07 1.644e-07 -6.763 -6.784 -0.021 29.50 Na 5.158e-07 Na+ 5.158e-07 4.922e-07 -6.288 -6.308 -0.020 -1.46 - NaOH 4.922e-24 4.924e-24 -23.308 -23.308 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97255,9 +96228,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.088e-18 + Total alkalinity (eq/kg) = 4.682e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.139e-15 + Electrical balance (eq) = 1.138e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -97292,7 +96265,6 @@ N(5) 3.062e-07 NO3- 3.062e-07 2.919e-07 -6.514 -6.535 -0.021 29.50 Na 9.220e-07 Na+ 9.220e-07 8.798e-07 -6.035 -6.056 -0.020 -1.46 - NaOH 8.800e-24 8.803e-24 -23.056 -23.055 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97353,9 +96325,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.246e-19 + Total alkalinity (eq/kg) = 1.563e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.636e-15 + Electrical balance (eq) = 2.633e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97390,7 +96362,6 @@ N(5) 5.865e-07 NO3- 5.865e-07 5.592e-07 -6.232 -6.252 -0.021 29.50 Na 1.784e-06 Na+ 1.784e-06 1.702e-06 -5.749 -5.769 -0.020 -1.46 - NaOH 1.702e-23 1.703e-23 -22.769 -22.769 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97451,9 +96422,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.464e-19 + Total alkalinity (eq/kg) = -1.362e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.628e-15 + Electrical balance (eq) = 3.627e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97488,7 +96459,6 @@ N(5) 1.060e-06 NO3- 1.060e-06 1.011e-06 -5.975 -5.995 -0.021 29.50 Na 3.273e-06 Na+ 3.273e-06 3.123e-06 -5.485 -5.505 -0.020 -1.46 - NaOH 3.124e-23 3.125e-23 -22.505 -22.505 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97549,9 +96519,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.082e-18 + Total alkalinity (eq/kg) = -7.001e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.743e-15 + Electrical balance (eq) = 4.744e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97586,7 +96556,6 @@ N(5) 1.822e-06 NO3- 1.822e-06 1.737e-06 -5.739 -5.760 -0.021 29.50 Na 5.740e-06 Na+ 5.740e-06 5.478e-06 -5.241 -5.261 -0.020 -1.46 - NaOH 5.479e-23 5.481e-23 -22.261 -22.261 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97647,9 +96616,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.787e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.022e-19 + Total alkalinity (eq/kg) = 6.922e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.727e-15 + Electrical balance (eq) = 5.730e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97684,7 +96653,6 @@ N(5) 3.013e-06 NO3- 3.013e-06 2.872e-06 -5.521 -5.542 -0.021 29.50 Na 9.741e-06 Na+ 9.741e-06 9.297e-06 -5.011 -5.032 -0.020 -1.46 - NaOH 9.299e-23 9.302e-23 -22.032 -22.031 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97745,9 +96713,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.779e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.902e-19 + Total alkalinity (eq/kg) = 1.087e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.656e-15 + Electrical balance (eq) = 6.658e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97782,7 +96750,6 @@ N(5) 4.819e-06 NO3- 4.819e-06 4.595e-06 -5.317 -5.338 -0.021 29.50 Na 1.609e-05 Na+ 1.609e-05 1.535e-05 -4.794 -4.814 -0.020 -1.46 - NaOH 1.536e-22 1.537e-22 -21.814 -21.813 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97843,9 +96810,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.765e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.437e-19 + Total alkalinity (eq/kg) = 1.339e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.547e-15 + Electrical balance (eq) = 7.551e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97880,7 +96847,6 @@ N(5) 7.485e-06 NO3- 7.485e-06 7.139e-06 -5.126 -5.146 -0.021 29.50 Na 2.596e-05 Na+ 2.596e-05 2.478e-05 -4.586 -4.606 -0.020 -1.46 - NaOH 2.479e-22 2.480e-22 -21.606 -21.605 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -97941,9 +96907,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.744e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.440e-20 + Total alkalinity (eq/kg) = 8.941e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.420e-15 + Electrical balance (eq) = 8.424e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -97978,7 +96944,6 @@ N(5) 1.132e-05 NO3- 1.132e-05 1.080e-05 -4.946 -4.967 -0.020 29.50 Na 4.107e-05 Na+ 4.107e-05 3.922e-05 -4.387 -4.407 -0.020 -1.46 - NaOH 3.924e-22 3.925e-22 -21.406 -21.406 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98039,9 +97004,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.711e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.073e-20 + Total alkalinity (eq/kg) = 5.144e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.317e-15 + Electrical balance (eq) = 9.324e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -98076,7 +97041,6 @@ N(5) 1.670e-05 NO3- 1.670e-05 1.594e-05 -4.777 -4.798 -0.020 29.50 Na 6.382e-05 Na+ 6.382e-05 6.097e-05 -4.195 -4.215 -0.020 -1.46 - NaOH 6.102e-22 6.104e-22 -21.215 -21.214 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98137,9 +97101,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.662e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.486e-19 + Total alkalinity (eq/kg) = 3.613e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.030e-14 + Electrical balance (eq) = 1.031e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -98174,7 +97138,6 @@ N(5) 2.408e-05 NO3- 2.408e-05 2.299e-05 -4.618 -4.638 -0.020 29.50 Na 9.760e-05 Na+ 9.760e-05 9.330e-05 -4.011 -4.030 -0.020 -1.46 - NaOH 9.341e-22 9.344e-22 -21.030 -21.029 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98235,9 +97198,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.590e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.875e-19 + Total alkalinity (eq/kg) = 6.482e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.129e-14 + Electrical balance (eq) = 1.130e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -98272,7 +97235,6 @@ N(5) 3.395e-05 NO3- 3.395e-05 3.246e-05 -4.469 -4.489 -0.020 29.50 Na 1.470e-04 Na+ 1.470e-04 1.406e-04 -3.833 -3.852 -0.019 -1.47 - NaOH 1.408e-21 1.409e-21 -20.851 -20.851 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98333,7 +97295,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.489e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.144e-19 + Total alkalinity (eq/kg) = -3.759e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.142e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -98370,7 +97332,6 @@ N(5) 4.689e-05 NO3- 4.689e-05 4.489e-05 -4.329 -4.348 -0.019 29.50 Na 2.170e-04 Na+ 2.170e-04 2.079e-04 -3.663 -3.682 -0.019 -1.47 - NaOH 2.085e-21 2.085e-21 -20.681 -20.681 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98431,9 +97392,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.359e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.864e-19 + Total alkalinity (eq/kg) = -5.761e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.095e-14 + Electrical balance (eq) = 1.096e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -98468,7 +97429,6 @@ N(5) 6.348e-05 NO3- 6.348e-05 6.088e-05 -4.197 -4.215 -0.018 29.49 Na 3.108e-04 Na+ 3.108e-04 2.984e-04 -3.507 -3.525 -0.018 -1.47 - NaOH 2.994e-21 2.995e-21 -20.524 -20.524 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98529,7 +97489,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.212e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.445e-19 + Total alkalinity (eq/kg) = -1.568e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.016e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -98566,7 +97526,6 @@ N(5) 8.430e-05 NO3- 8.430e-05 8.103e-05 -4.074 -4.091 -0.017 29.49 Na 4.251e-04 Na+ 4.251e-04 4.089e-04 -3.371 -3.388 -0.017 -1.47 - NaOH 4.109e-21 4.110e-21 -20.386 -20.386 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98627,9 +97586,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.702e-19 + Total alkalinity (eq/kg) = 7.978e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.240e-15 + Electrical balance (eq) = 9.242e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -98664,7 +97623,6 @@ N(5) 1.099e-04 NO3- 1.099e-04 1.056e-04 -3.959 -3.976 -0.017 29.49 Na 5.263e-04 Na+ 5.263e-04 5.063e-04 -3.279 -3.296 -0.017 -1.47 - NaOH 5.088e-21 5.089e-21 -20.293 -20.293 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98725,9 +97683,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.403e-19 + Total alkalinity (eq/kg) = -1.530e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.247e-15 + Electrical balance (eq) = 8.249e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -98762,7 +97720,6 @@ N(5) 1.407e-04 NO3- 1.407e-04 1.352e-04 -3.852 -3.869 -0.017 29.49 Na 6.298e-04 Na+ 6.298e-04 6.059e-04 -3.201 -3.218 -0.017 -1.47 - NaOH 6.088e-21 6.090e-21 -20.215 -20.215 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98823,7 +97780,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.999e-19 + Total alkalinity (eq/kg) = -4.544e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 7.217e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -98860,7 +97817,6 @@ N(5) 1.770e-04 NO3- 1.770e-04 1.702e-04 -3.752 -3.769 -0.017 29.49 Na 7.289e-04 Na+ 7.289e-04 7.013e-04 -3.137 -3.154 -0.017 -1.47 - NaOH 7.047e-21 7.049e-21 -20.152 -20.152 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -98921,7 +97877,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.216e-19 + Total alkalinity (eq/kg) = 3.374e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 6.181e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -98958,7 +97914,6 @@ N(5) 2.190e-04 NO3- 2.190e-04 2.105e-04 -3.660 -3.677 -0.017 29.49 Na 8.157e-04 Na+ 8.157e-04 7.848e-04 -3.088 -3.105 -0.017 -1.47 - NaOH 7.886e-21 7.888e-21 -20.103 -20.103 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99019,7 +97974,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.291e-19 + Total alkalinity (eq/kg) = -4.131e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.177e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -99056,7 +98011,6 @@ N(5) 2.665e-04 NO3- 2.665e-04 2.563e-04 -3.574 -3.591 -0.017 29.49 Na 8.842e-04 Na+ 8.842e-04 8.507e-04 -3.053 -3.070 -0.017 -1.47 - NaOH 8.548e-21 8.550e-21 -20.068 -20.068 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99117,9 +98071,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.224e-19 + Total alkalinity (eq/kg) = -3.954e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.232e-15 + Electrical balance (eq) = 4.231e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99154,7 +98108,6 @@ N(5) 3.194e-04 NO3- 3.194e-04 3.071e-04 -3.496 -3.513 -0.017 29.49 Na 9.324e-04 Na+ 9.324e-04 8.971e-04 -3.030 -3.047 -0.017 -1.47 - NaOH 9.014e-21 9.016e-21 -20.045 -20.045 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99215,7 +98168,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.598e-19 + Total alkalinity (eq/kg) = -3.489e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 3.358e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -99252,7 +98205,6 @@ N(5) 3.769e-04 NO3- 3.769e-04 3.624e-04 -3.424 -3.441 -0.017 29.49 Na 9.630e-04 Na+ 9.630e-04 9.264e-04 -3.016 -3.033 -0.017 -1.47 - NaOH 9.309e-21 9.311e-21 -20.031 -20.031 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99311,9 +98263,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.235e-19 + Total alkalinity (eq/kg) = 2.274e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.563e-15 + Electrical balance (eq) = 2.564e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99345,7 +98297,6 @@ N(5) 4.384e-04 NO3- 4.384e-04 4.215e-04 -3.358 -3.375 -0.017 29.49 Na 9.807e-04 Na+ 9.807e-04 9.435e-04 -3.008 -3.025 -0.017 -1.47 - NaOH 9.480e-21 9.482e-21 -20.023 -20.023 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99404,9 +98355,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.426e-19 + Total alkalinity (eq/kg) = 8.135e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.849e-15 + Electrical balance (eq) = 1.850e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99438,7 +98389,6 @@ N(5) 5.028e-04 NO3- 5.028e-04 4.834e-04 -3.299 -3.316 -0.017 29.49 Na 9.903e-04 Na+ 9.903e-04 9.527e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.573e-21 9.575e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99497,9 +98447,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.546e-19 + Total alkalinity (eq/kg) = 1.082e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.216e-15 + Electrical balance (eq) = 1.217e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99531,7 +98481,6 @@ N(5) 5.690e-04 NO3- 5.690e-04 5.471e-04 -3.245 -3.262 -0.017 29.49 Na 9.953e-04 Na+ 9.953e-04 9.575e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.621e-21 9.624e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99590,9 +98539,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.836e-18 + Total alkalinity (eq/kg) = 1.498e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.579e-16 + Electrical balance (eq) = 6.583e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99624,7 +98573,6 @@ N(5) 6.357e-04 NO3- 6.357e-04 6.112e-04 -3.197 -3.214 -0.017 29.49 Na 9.978e-04 Na+ 9.978e-04 9.599e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.645e-21 9.648e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99683,9 +98631,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.101e-18 + Total alkalinity (eq/kg) = 2.769e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.648e-16 + Electrical balance (eq) = 1.664e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99717,7 +98665,6 @@ N(5) 7.016e-04 NO3- 7.016e-04 6.746e-04 -3.154 -3.171 -0.017 29.49 Na 9.990e-04 Na+ 9.990e-04 9.611e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.656e-21 9.659e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99776,9 +98723,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.996e-18 + Total alkalinity (eq/kg) = 3.526e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.766e-16 + Electrical balance (eq) = -2.770e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99810,7 +98757,6 @@ N(5) 7.656e-04 NO3- 7.656e-04 7.360e-04 -3.116 -3.133 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99869,9 +98815,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.872e-18 + Total alkalinity (eq/kg) = 3.971e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.811e-16 + Electrical balance (eq) = -6.813e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -99903,7 +98849,6 @@ N(5) 8.264e-04 NO3- 8.264e-04 7.945e-04 -3.083 -3.100 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -99962,7 +98907,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.519e-18 + Total alkalinity (eq/kg) = 5.035e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.051e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -99996,7 +98941,6 @@ N(5) 8.832e-04 NO3- 8.832e-04 8.491e-04 -3.054 -3.071 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100055,7 +98999,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.736e-18 + Total alkalinity (eq/kg) = 5.574e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.380e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -100089,7 +99033,6 @@ N(5) 9.352e-04 NO3- 9.352e-04 8.991e-04 -3.029 -3.046 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100148,9 +99091,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.697e-18 + Total alkalinity (eq/kg) = 6.547e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.666e-15 + Electrical balance (eq) = -1.665e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -100182,7 +99125,6 @@ N(5) 9.819e-04 NO3- 9.819e-04 9.440e-04 -3.008 -3.025 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100241,9 +99183,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.938e-18 + Total alkalinity (eq/kg) = 7.166e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.903e-15 + Electrical balance (eq) = -1.904e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -100275,7 +99217,6 @@ N(5) 1.023e-03 NO3- 1.023e-03 9.836e-04 -2.990 -3.007 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100334,9 +99275,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.829e-18 + Total alkalinity (eq/kg) = 7.650e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.093e-15 + Electrical balance (eq) = -2.095e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -100368,7 +99309,6 @@ N(5) 1.059e-03 NO3- 1.059e-03 1.018e-03 -2.975 -2.992 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100427,9 +99367,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.731e-18 + Total alkalinity (eq/kg) = 8.294e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.238e-15 + Electrical balance (eq) = -2.239e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -100461,7 +99401,6 @@ N(5) 1.089e-03 NO3- 1.089e-03 1.047e-03 -2.963 -2.980 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100520,9 +99459,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.384e-18 + Total alkalinity (eq/kg) = 7.999e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.345e-15 + Electrical balance (eq) = -2.346e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -100554,7 +99493,6 @@ N(5) 1.114e-03 NO3- 1.114e-03 1.071e-03 -2.953 -2.970 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100613,9 +99551,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.002e-18 + Total alkalinity (eq/kg) = 7.825e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.420e-15 + Electrical balance (eq) = -2.421e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -100647,7 +99585,6 @@ N(5) 1.134e-03 NO3- 1.134e-03 1.091e-03 -2.945 -2.962 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100706,7 +99643,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.925e-18 + Total alkalinity (eq/kg) = 7.155e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -2.467e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -100740,7 +99677,6 @@ N(5) 1.150e-03 NO3- 1.150e-03 1.106e-03 -2.939 -2.956 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100799,9 +99735,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.357e-18 + Total alkalinity (eq/kg) = 7.361e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.706e-15 + Electrical balance (eq) = -2.707e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -100833,7 +99769,6 @@ N(5) 1.162e-03 NO3- 1.162e-03 1.117e-03 -2.935 -2.952 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100892,7 +99827,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.272e-18 + Total alkalinity (eq/kg) = 6.889e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.463e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -100926,7 +99861,6 @@ N(5) 1.167e-03 NO3- 1.167e-03 1.122e-03 -2.933 -2.950 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -100966,7 +99900,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -100997,7 +99931,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101124,7 +100057,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.462e-19 + Total alkalinity (eq/kg) = -3.605e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.374e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -101161,7 +100094,6 @@ N(5) 1.294e-07 NO3- 1.294e-07 1.234e-07 -6.888 -6.909 -0.021 29.50 Na 3.941e-07 Na+ 3.941e-07 3.761e-07 -6.404 -6.425 -0.020 -1.46 - NaOH 3.762e-24 3.763e-24 -23.425 -23.424 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101222,9 +100154,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.721e-19 + Total alkalinity (eq/kg) = -2.971e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.826e-16 + Electrical balance (eq) = 9.808e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -101259,7 +100191,6 @@ N(5) 2.302e-07 NO3- 2.302e-07 2.195e-07 -6.638 -6.659 -0.021 29.50 Na 7.054e-07 Na+ 7.054e-07 6.731e-07 -6.152 -6.172 -0.020 -1.46 - NaOH 6.732e-24 6.735e-24 -23.172 -23.172 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101320,9 +100251,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.346e-19 + Total alkalinity (eq/kg) = 6.159e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.248e-15 + Electrical balance (eq) = 2.247e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -101357,7 +100288,6 @@ N(5) 4.419e-07 NO3- 4.419e-07 4.213e-07 -6.355 -6.375 -0.021 29.50 Na 1.367e-06 Na+ 1.367e-06 1.304e-06 -5.864 -5.885 -0.020 -1.46 - NaOH 1.304e-23 1.305e-23 -22.885 -22.884 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101418,9 +100348,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.024e-18 + Total alkalinity (eq/kg) = 3.420e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.135e-15 + Electrical balance (eq) = 3.134e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -101455,7 +100385,6 @@ N(5) 8.010e-07 NO3- 8.010e-07 7.637e-07 -6.096 -6.117 -0.021 29.50 Na 2.513e-06 Na+ 2.513e-06 2.398e-06 -5.600 -5.620 -0.020 -1.46 - NaOH 2.398e-23 2.399e-23 -22.620 -22.620 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101516,9 +100445,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.794e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.118e-19 + Total alkalinity (eq/kg) = -4.990e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.148e-15 + Electrical balance (eq) = 4.149e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -101553,7 +100482,6 @@ N(5) 1.381e-06 NO3- 1.381e-06 1.317e-06 -5.860 -5.881 -0.021 29.50 Na 4.418e-06 Na+ 4.418e-06 4.216e-06 -5.355 -5.375 -0.020 -1.46 - NaOH 4.217e-23 4.218e-23 -22.375 -22.375 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101614,7 +100542,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.790e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.440e-19 + Total alkalinity (eq/kg) = 2.819e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.082e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -101651,7 +100579,6 @@ N(5) 2.292e-06 NO3- 2.292e-06 2.185e-06 -5.640 -5.660 -0.021 29.50 Na 7.516e-06 Na+ 7.516e-06 7.173e-06 -5.124 -5.144 -0.020 -1.46 - NaOH 7.175e-23 7.178e-23 -22.144 -22.144 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101712,9 +100639,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.783e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.474e-20 + Total alkalinity (eq/kg) = 4.048e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.990e-15 + Electrical balance (eq) = 5.993e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -101749,7 +100676,6 @@ N(5) 3.683e-06 NO3- 3.683e-06 3.512e-06 -5.434 -5.455 -0.021 29.50 Na 1.245e-05 Na+ 1.245e-05 1.188e-05 -4.905 -4.925 -0.020 -1.46 - NaOH 1.189e-22 1.189e-22 -21.925 -21.925 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101810,9 +100736,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.866e-19 + Total alkalinity (eq/kg) = 1.047e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.888e-15 + Electrical balance (eq) = 6.892e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -101847,7 +100773,6 @@ N(5) 5.748e-06 NO3- 5.748e-06 5.482e-06 -5.240 -5.261 -0.021 29.50 Na 2.016e-05 Na+ 2.016e-05 1.924e-05 -4.696 -4.716 -0.020 -1.46 - NaOH 1.925e-22 1.926e-22 -21.716 -21.715 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -101908,9 +100833,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.763e-19 + Total alkalinity (eq/kg) = 1.133e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.771e-15 + Electrical balance (eq) = 7.776e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -101945,7 +100870,6 @@ N(5) 8.741e-06 NO3- 8.741e-06 8.337e-06 -5.058 -5.079 -0.021 29.50 Na 3.199e-05 Na+ 3.199e-05 3.055e-05 -4.495 -4.515 -0.020 -1.46 - NaOH 3.056e-22 3.057e-22 -21.515 -21.515 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102006,9 +100930,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.729e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.202e-19 + Total alkalinity (eq/kg) = 2.436e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.657e-15 + Electrical balance (eq) = 8.662e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -102043,7 +100967,6 @@ N(5) 1.297e-05 NO3- 1.297e-05 1.238e-05 -4.887 -4.907 -0.020 29.50 Na 4.990e-05 Na+ 4.990e-05 4.766e-05 -4.302 -4.322 -0.020 -1.46 - NaOH 4.769e-22 4.771e-22 -21.322 -21.321 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102104,9 +101027,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.690e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.629e-19 + Total alkalinity (eq/kg) = 3.432e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.621e-15 + Electrical balance (eq) = 9.624e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -102141,7 +101064,6 @@ N(5) 1.882e-05 NO3- 1.882e-05 1.797e-05 -4.725 -4.746 -0.020 29.50 Na 7.664e-05 Na+ 7.664e-05 7.323e-05 -4.116 -4.135 -0.020 -1.46 - NaOH 7.330e-22 7.333e-22 -21.135 -21.135 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102202,7 +101124,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.630e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.323e-20 + Total alkalinity (eq/kg) = 4.898e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.079e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -102239,7 +101161,6 @@ N(5) 2.672e-05 NO3- 2.672e-05 2.553e-05 -4.573 -4.593 -0.020 29.50 Na 1.161e-04 Na+ 1.161e-04 1.111e-04 -3.935 -3.954 -0.019 -1.46 - NaOH 1.112e-21 1.113e-21 -20.954 -20.954 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102300,7 +101221,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.543e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.563e-19 + Total alkalinity (eq/kg) = -1.295e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.186e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -102337,7 +101258,6 @@ N(5) 3.718e-05 NO3- 3.718e-05 3.556e-05 -4.430 -4.449 -0.019 29.50 Na 1.732e-04 Na+ 1.732e-04 1.658e-04 -3.761 -3.780 -0.019 -1.47 - NaOH 1.662e-21 1.662e-21 -20.779 -20.779 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102398,7 +101318,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.428e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.518e-19 + Total alkalinity (eq/kg) = -8.161e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.129e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -102435,7 +101355,6 @@ N(5) 5.072e-05 NO3- 5.072e-05 4.860e-05 -4.295 -4.313 -0.019 29.50 Na 2.514e-04 Na+ 2.514e-04 2.411e-04 -3.600 -3.618 -0.018 -1.47 - NaOH 2.418e-21 2.419e-21 -20.616 -20.616 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102496,9 +101415,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.305e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.631e-19 + Total alkalinity (eq/kg) = -6.337e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.068e-14 + Electrical balance (eq) = 1.069e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -102533,7 +101452,6 @@ N(5) 6.790e-05 NO3- 6.790e-05 6.518e-05 -4.168 -4.186 -0.018 29.49 Na 3.495e-04 Na+ 3.495e-04 3.358e-04 -3.456 -3.474 -0.017 -1.47 - NaOH 3.371e-21 3.372e-21 -20.472 -20.472 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102594,9 +101512,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.131e-19 + Total alkalinity (eq/kg) = -2.526e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.993e-15 + Electrical balance (eq) = 9.994e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -102631,7 +101549,6 @@ N(5) 8.926e-05 NO3- 8.926e-05 8.582e-05 -4.049 -4.066 -0.017 29.49 Na 4.610e-04 Na+ 4.610e-04 4.435e-04 -3.336 -3.353 -0.017 -1.47 - NaOH 4.456e-21 4.458e-21 -20.351 -20.351 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102692,9 +101609,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.311e-19 + Total alkalinity (eq/kg) = 2.439e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.152e-15 + Electrical balance (eq) = 9.153e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -102729,7 +101646,6 @@ N(5) 1.153e-04 NO3- 1.153e-04 1.108e-04 -3.938 -3.955 -0.017 29.49 Na 5.615e-04 Na+ 5.615e-04 5.402e-04 -3.251 -3.267 -0.017 -1.47 - NaOH 5.428e-21 5.430e-21 -20.265 -20.265 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102790,9 +101706,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.726e-19 + Total alkalinity (eq/kg) = -5.611e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.205e-15 + Electrical balance (eq) = 8.206e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -102827,7 +101743,6 @@ N(5) 1.464e-04 NO3- 1.464e-04 1.408e-04 -3.834 -3.852 -0.017 29.49 Na 6.636e-04 Na+ 6.636e-04 6.384e-04 -3.178 -3.195 -0.017 -1.47 - NaOH 6.415e-21 6.417e-21 -20.193 -20.193 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102888,9 +101803,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.845e-20 + Total alkalinity (eq/kg) = 1.293e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.212e-15 + Electrical balance (eq) = 7.213e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -102925,7 +101840,6 @@ N(5) 1.828e-04 NO3- 1.828e-04 1.758e-04 -3.738 -3.755 -0.017 29.49 Na 7.586e-04 Na+ 7.586e-04 7.298e-04 -3.120 -3.137 -0.017 -1.47 - NaOH 7.333e-21 7.335e-21 -20.135 -20.135 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -102986,7 +101900,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.175e-20 + Total alkalinity (eq/kg) = -3.724e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.216e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -103023,7 +101937,6 @@ N(5) 2.247e-04 NO3- 2.247e-04 2.161e-04 -3.648 -3.665 -0.017 29.49 Na 8.393e-04 Na+ 8.393e-04 8.075e-04 -3.076 -3.093 -0.017 -1.47 - NaOH 8.114e-21 8.116e-21 -20.091 -20.091 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103084,7 +101997,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.975e-19 + Total alkalinity (eq/kg) = -4.050e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.249e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -103121,7 +102034,6 @@ N(5) 2.720e-04 NO3- 2.720e-04 2.615e-04 -3.565 -3.583 -0.017 29.49 Na 9.009e-04 Na+ 9.009e-04 8.668e-04 -3.045 -3.062 -0.017 -1.47 - NaOH 8.709e-21 8.712e-21 -20.060 -20.060 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103182,9 +102094,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.042e-19 + Total alkalinity (eq/kg) = -3.611e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.334e-15 + Electrical balance (eq) = 4.333e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103219,7 +102131,6 @@ N(5) 3.242e-04 NO3- 3.242e-04 3.117e-04 -3.489 -3.506 -0.017 29.49 Na 9.430e-04 Na+ 9.430e-04 9.073e-04 -3.025 -3.042 -0.017 -1.47 - NaOH 9.116e-21 9.119e-21 -20.040 -20.040 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103278,7 +102189,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.931e-20 + Total alkalinity (eq/kg) = 1.825e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.477e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -103312,7 +102223,6 @@ N(5) 3.810e-04 NO3- 3.810e-04 3.663e-04 -3.419 -3.436 -0.017 29.49 Na 9.691e-04 Na+ 9.691e-04 9.323e-04 -3.014 -3.030 -0.017 -1.47 - NaOH 9.368e-21 9.370e-21 -20.028 -20.028 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103371,9 +102281,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.234e-19 + Total alkalinity (eq/kg) = 2.496e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.679e-15 + Electrical balance (eq) = 2.678e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103405,7 +102315,6 @@ N(5) 4.414e-04 NO3- 4.414e-04 4.244e-04 -3.355 -3.372 -0.017 29.49 Na 9.839e-04 Na+ 9.839e-04 9.466e-04 -3.007 -3.024 -0.017 -1.47 - NaOH 9.511e-21 9.514e-21 -20.022 -20.022 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103464,9 +102373,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.454e-19 + Total alkalinity (eq/kg) = 8.120e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.948e-15 + Electrical balance (eq) = 1.949e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103498,7 +102407,6 @@ N(5) 5.047e-04 NO3- 5.047e-04 4.852e-04 -3.297 -3.314 -0.017 29.49 Na 9.919e-04 Na+ 9.919e-04 9.543e-04 -3.004 -3.020 -0.017 -1.47 - NaOH 9.589e-21 9.591e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103557,9 +102465,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.442e-19 + Total alkalinity (eq/kg) = 1.416e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.298e-15 + Electrical balance (eq) = 1.299e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103591,7 +102499,6 @@ N(5) 5.695e-04 NO3- 5.695e-04 5.476e-04 -3.244 -3.262 -0.017 29.49 Na 9.961e-04 Na+ 9.961e-04 9.583e-04 -3.002 -3.018 -0.017 -1.47 - NaOH 9.629e-21 9.631e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103650,9 +102557,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.791e-18 + Total alkalinity (eq/kg) = 2.164e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.275e-16 + Electrical balance (eq) = 7.279e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103684,7 +102591,6 @@ N(5) 6.349e-04 NO3- 6.349e-04 6.104e-04 -3.197 -3.214 -0.017 29.49 Na 9.981e-04 Na+ 9.981e-04 9.603e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.648e-21 9.651e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103743,9 +102649,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.585e-18 + Total alkalinity (eq/kg) = 3.216e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.228e-16 + Electrical balance (eq) = 2.231e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103777,7 +102683,6 @@ N(5) 6.996e-04 NO3- 6.996e-04 6.726e-04 -3.155 -3.172 -0.017 29.49 Na 9.991e-04 Na+ 9.991e-04 9.613e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.658e-21 9.661e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103836,9 +102741,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.801e-18 + Total alkalinity (eq/kg) = 3.970e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.281e-16 + Electrical balance (eq) = -2.289e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103870,7 +102775,6 @@ N(5) 7.624e-04 NO3- 7.624e-04 7.330e-04 -3.118 -3.135 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -103929,9 +102833,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.549e-18 + Total alkalinity (eq/kg) = 4.709e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.370e-16 + Electrical balance (eq) = -6.373e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -103963,7 +102867,6 @@ N(5) 8.222e-04 NO3- 8.222e-04 7.905e-04 -3.085 -3.102 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104022,7 +102925,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.025e-18 + Total alkalinity (eq/kg) = 4.938e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.006e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -104056,7 +102959,6 @@ N(5) 8.783e-04 NO3- 8.783e-04 8.444e-04 -3.056 -3.073 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104115,9 +103017,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.632e-18 + Total alkalinity (eq/kg) = 5.616e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.333e-15 + Electrical balance (eq) = -1.332e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -104149,7 +103051,6 @@ N(5) 9.297e-04 NO3- 9.297e-04 8.939e-04 -3.032 -3.049 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104208,9 +103109,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.809e-18 + Total alkalinity (eq/kg) = 6.431e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.607e-15 + Electrical balance (eq) = -1.608e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -104242,7 +103143,6 @@ N(5) 9.762e-04 NO3- 9.762e-04 9.385e-04 -3.010 -3.028 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104301,9 +103201,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.597e-18 + Total alkalinity (eq/kg) = 7.428e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.822e-15 + Electrical balance (eq) = -1.823e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -104335,7 +103235,6 @@ N(5) 1.017e-03 NO3- 1.017e-03 9.781e-04 -2.993 -3.010 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104394,7 +103293,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.096e-18 + Total alkalinity (eq/kg) = 7.810e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.984e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -104428,7 +103327,6 @@ N(5) 1.053e-03 NO3- 1.053e-03 1.012e-03 -2.978 -2.995 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104487,9 +103385,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.298e-18 + Total alkalinity (eq/kg) = 8.373e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.117e-15 + Electrical balance (eq) = -2.119e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -104521,7 +103419,6 @@ N(5) 1.084e-03 NO3- 1.084e-03 1.042e-03 -2.965 -2.982 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104580,9 +103477,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.572e-18 + Total alkalinity (eq/kg) = 8.516e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.249e-15 + Electrical balance (eq) = -2.251e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -104614,7 +103511,6 @@ N(5) 1.109e-03 NO3- 1.109e-03 1.066e-03 -2.955 -2.972 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104673,9 +103569,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.510e-18 + Total alkalinity (eq/kg) = 8.433e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.382e-15 + Electrical balance (eq) = -2.383e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -104707,7 +103603,6 @@ N(5) 1.129e-03 NO3- 1.129e-03 1.086e-03 -2.947 -2.964 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104766,9 +103661,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.637e-18 + Total alkalinity (eq/kg) = 8.117e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.602e-15 + Electrical balance (eq) = -2.604e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -104800,7 +103695,6 @@ N(5) 1.144e-03 NO3- 1.144e-03 1.100e-03 -2.942 -2.959 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104859,7 +103753,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.101e-18 + Total alkalinity (eq/kg) = 7.751e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.020e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -104893,7 +103787,6 @@ N(5) 1.152e-03 NO3- 1.152e-03 1.107e-03 -2.939 -2.956 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -104933,7 +103826,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -104964,7 +103857,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105091,9 +103983,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.246e-19 + Total alkalinity (eq/kg) = 1.545e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.604e-16 + Electrical balance (eq) = 4.596e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -105128,7 +104020,6 @@ N(5) 9.728e-08 NO3- 9.728e-08 9.274e-08 -7.012 -7.033 -0.021 29.50 Na 3.015e-07 Na+ 3.015e-07 2.877e-07 -6.521 -6.541 -0.020 -1.46 - NaOH 2.878e-24 2.879e-24 -23.541 -23.541 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105189,7 +104080,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.106e-18 + Total alkalinity (eq/kg) = 3.343e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.287e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -105226,7 +104117,6 @@ N(5) 1.733e-07 NO3- 1.733e-07 1.652e-07 -6.761 -6.782 -0.021 29.50 Na 5.402e-07 Na+ 5.402e-07 5.155e-07 -6.267 -6.288 -0.020 -1.46 - NaOH 5.155e-24 5.158e-24 -23.288 -23.288 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105287,7 +104177,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.105e-18 + Total alkalinity (eq/kg) = 2.086e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.112e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -105324,7 +104214,6 @@ N(5) 3.333e-07 NO3- 3.333e-07 3.178e-07 -6.477 -6.498 -0.021 29.50 Na 1.048e-06 Na+ 1.048e-06 1.000e-06 -5.980 -6.000 -0.020 -1.46 - NaOH 1.000e-23 1.001e-23 -23.000 -23.000 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105385,9 +104274,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.915e-19 + Total alkalinity (eq/kg) = 1.065e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.801e-15 + Electrical balance (eq) = 2.799e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -105422,7 +104311,6 @@ N(5) 6.057e-07 NO3- 6.057e-07 5.775e-07 -6.218 -6.238 -0.021 29.50 Na 1.931e-06 Na+ 1.931e-06 1.842e-06 -5.714 -5.735 -0.020 -1.46 - NaOH 1.843e-23 1.843e-23 -22.735 -22.734 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105483,7 +104371,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.597e-19 + Total alkalinity (eq/kg) = 5.244e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.590e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -105520,7 +104408,6 @@ N(5) 1.048e-06 NO3- 1.048e-06 9.988e-07 -5.980 -6.001 -0.021 29.50 Na 3.402e-06 Na+ 3.402e-06 3.246e-06 -5.468 -5.489 -0.020 -1.46 - NaOH 3.247e-23 3.248e-23 -22.489 -22.488 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105581,9 +104468,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.792e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.048e-18 + Total alkalinity (eq/kg) = -2.352e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.456e-15 + Electrical balance (eq) = 4.457e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -105618,7 +104505,6 @@ N(5) 1.745e-06 NO3- 1.745e-06 1.664e-06 -5.758 -5.779 -0.021 29.50 Na 5.802e-06 Na+ 5.802e-06 5.538e-06 -5.236 -5.257 -0.020 -1.46 - NaOH 5.539e-23 5.541e-23 -22.257 -22.256 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105679,9 +104565,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.787e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.099e-18 + Total alkalinity (eq/kg) = 2.641e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.326e-15 + Electrical balance (eq) = 5.328e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -105716,7 +104602,6 @@ N(5) 2.815e-06 NO3- 2.815e-06 2.684e-06 -5.550 -5.571 -0.021 29.50 Na 9.638e-06 Na+ 9.638e-06 9.199e-06 -5.016 -5.036 -0.020 -1.46 - NaOH 9.201e-23 9.205e-23 -22.036 -22.036 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105777,9 +104662,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.778e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.841e-20 + Total alkalinity (eq/kg) = 1.506e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.206e-15 + Electrical balance (eq) = 6.211e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -105814,7 +104699,6 @@ N(5) 4.414e-06 NO3- 4.414e-06 4.209e-06 -5.355 -5.376 -0.021 29.50 Na 1.565e-05 Na+ 1.565e-05 1.494e-05 -4.805 -4.826 -0.020 -1.46 - NaOH 1.494e-22 1.495e-22 -21.826 -21.825 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105875,9 +104759,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.765e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.600e-19 + Total alkalinity (eq/kg) = 7.958e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.085e-15 + Electrical balance (eq) = 7.093e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -105912,7 +104796,6 @@ N(5) 6.746e-06 NO3- 6.746e-06 6.434e-06 -5.171 -5.192 -0.021 29.50 Na 2.492e-05 Na+ 2.492e-05 2.379e-05 -4.603 -4.624 -0.020 -1.46 - NaOH 2.380e-22 2.381e-22 -21.623 -21.623 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -105973,9 +104856,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.744e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.661e-20 + Total alkalinity (eq/kg) = 1.269e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.981e-15 + Electrical balance (eq) = 7.987e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -106010,7 +104893,6 @@ N(5) 1.007e-05 NO3- 1.007e-05 9.605e-06 -4.997 -5.018 -0.020 29.50 Na 3.901e-05 Na+ 3.901e-05 3.726e-05 -4.409 -4.429 -0.020 -1.46 - NaOH 3.728e-22 3.729e-22 -21.429 -21.428 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106071,9 +104953,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.712e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.769e-19 + Total alkalinity (eq/kg) = 1.294e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.931e-15 + Electrical balance (eq) = 8.936e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -106108,7 +104990,6 @@ N(5) 1.469e-05 NO3- 1.469e-05 1.402e-05 -4.833 -4.853 -0.020 29.50 Na 6.014e-05 Na+ 6.014e-05 5.745e-05 -4.221 -4.241 -0.020 -1.46 - NaOH 5.749e-22 5.752e-22 -21.240 -21.240 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106169,9 +105050,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.664e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.917e-19 + Total alkalinity (eq/kg) = 9.527e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.990e-15 + Electrical balance (eq) = 9.995e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -106206,7 +105087,6 @@ N(5) 2.100e-05 NO3- 2.100e-05 2.006e-05 -4.678 -4.698 -0.020 29.50 Na 9.138e-05 Na+ 9.138e-05 8.735e-05 -4.039 -4.059 -0.020 -1.46 - NaOH 8.745e-22 8.749e-22 -21.058 -21.058 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106267,7 +105147,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.593e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.882e-22 + Total alkalinity (eq/kg) = 3.446e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.111e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -106304,7 +105184,6 @@ N(5) 2.942e-05 NO3- 2.942e-05 2.812e-05 -4.531 -4.551 -0.020 29.50 Na 1.370e-04 Na+ 1.370e-04 1.311e-04 -3.863 -3.882 -0.019 -1.47 - NaOH 1.313e-21 1.314e-21 -20.882 -20.881 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106365,9 +105244,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.494e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.615e-19 + Total alkalinity (eq/kg) = -5.373e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.151e-14 + Electrical balance (eq) = 1.152e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -106402,7 +105281,6 @@ N(5) 4.043e-05 NO3- 4.043e-05 3.870e-05 -4.393 -4.412 -0.019 29.50 Na 2.021e-04 Na+ 2.021e-04 1.936e-04 -3.695 -3.713 -0.019 -1.47 - NaOH 1.941e-21 1.941e-21 -20.712 -20.712 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106463,9 +105341,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.364e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.071e-18 + Total alkalinity (eq/kg) = -6.011e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.119e-14 + Electrical balance (eq) = 1.120e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -106500,7 +105378,6 @@ N(5) 5.454e-05 NO3- 5.454e-05 5.230e-05 -4.263 -4.281 -0.018 29.49 Na 2.897e-04 Na+ 2.897e-04 2.780e-04 -3.538 -3.556 -0.018 -1.47 - NaOH 2.790e-21 2.791e-21 -20.554 -20.554 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106561,7 +105438,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.217e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.242e-18 + Total alkalinity (eq/kg) = -2.157e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.059e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -106598,7 +105475,6 @@ N(5) 7.227e-05 NO3- 7.227e-05 6.946e-05 -4.141 -4.158 -0.017 29.49 Na 3.970e-04 Na+ 3.970e-04 3.818e-04 -3.401 -3.418 -0.017 -1.47 - NaOH 3.836e-21 3.837e-21 -20.416 -20.416 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106659,9 +105535,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.495e-19 + Total alkalinity (eq/kg) = -1.657e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.867e-15 + Electrical balance (eq) = 9.868e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -106696,7 +105572,6 @@ N(5) 9.413e-05 NO3- 9.413e-05 9.050e-05 -4.026 -4.043 -0.017 29.49 Na 4.951e-04 Na+ 4.951e-04 4.763e-04 -3.305 -3.322 -0.017 -1.47 - NaOH 4.786e-21 4.787e-21 -20.320 -20.320 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106757,9 +105632,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.396e-19 + Total alkalinity (eq/kg) = -2.916e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.049e-15 + Electrical balance (eq) = 9.052e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -106794,7 +105669,6 @@ N(5) 1.206e-04 NO3- 1.206e-04 1.159e-04 -3.919 -3.936 -0.017 29.49 Na 5.964e-04 Na+ 5.964e-04 5.737e-04 -3.224 -3.241 -0.017 -1.47 - NaOH 5.765e-21 5.767e-21 -20.239 -20.239 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106855,9 +105729,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.097e-20 + Total alkalinity (eq/kg) = -2.164e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.152e-15 + Electrical balance (eq) = 8.153e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -106892,7 +105766,6 @@ N(5) 1.519e-04 NO3- 1.519e-04 1.461e-04 -3.818 -3.835 -0.017 29.49 Na 6.960e-04 Na+ 6.960e-04 6.696e-04 -3.157 -3.174 -0.017 -1.47 - NaOH 6.728e-21 6.730e-21 -20.172 -20.172 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -106953,9 +105826,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.845e-19 + Total alkalinity (eq/kg) = 4.253e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.204e-15 + Electrical balance (eq) = 7.205e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -106990,7 +105863,6 @@ N(5) 1.885e-04 NO3- 1.885e-04 1.812e-04 -3.725 -3.742 -0.017 29.49 Na 7.863e-04 Na+ 7.863e-04 7.565e-04 -3.104 -3.121 -0.017 -1.47 - NaOH 7.601e-21 7.603e-21 -20.119 -20.119 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107051,7 +105923,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.208e-19 + Total alkalinity (eq/kg) = 9.152e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 6.244e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -107088,7 +105960,6 @@ N(5) 2.303e-04 NO3- 2.303e-04 2.214e-04 -3.638 -3.655 -0.017 29.49 Na 8.607e-04 Na+ 8.607e-04 8.280e-04 -3.065 -3.082 -0.017 -1.47 - NaOH 8.320e-21 8.322e-21 -20.080 -20.080 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107149,7 +106020,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.302e-19 + Total alkalinity (eq/kg) = 2.919e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.302e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -107186,7 +106057,6 @@ N(5) 2.772e-04 NO3- 2.772e-04 2.665e-04 -3.557 -3.574 -0.017 29.49 Na 9.156e-04 Na+ 9.156e-04 8.809e-04 -3.038 -3.055 -0.017 -1.47 - NaOH 8.851e-21 8.854e-21 -20.053 -20.053 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107247,9 +106117,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.774e-19 + Total alkalinity (eq/kg) = 3.457e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.402e-15 + Electrical balance (eq) = 4.401e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -107284,7 +106154,6 @@ N(5) 3.289e-04 NO3- 3.289e-04 3.162e-04 -3.483 -3.500 -0.017 29.49 Na 9.521e-04 Na+ 9.521e-04 9.160e-04 -3.021 -3.038 -0.017 -1.47 - NaOH 9.204e-21 9.207e-21 -20.036 -20.036 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107343,9 +106212,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.344e-19 + Total alkalinity (eq/kg) = 5.589e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.552e-15 + Electrical balance (eq) = 3.551e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -107377,7 +106246,6 @@ N(5) 3.848e-04 NO3- 3.848e-04 3.700e-04 -3.415 -3.432 -0.017 29.49 Na 9.742e-04 Na+ 9.742e-04 9.373e-04 -3.011 -3.028 -0.017 -1.47 - NaOH 9.417e-21 9.420e-21 -20.026 -20.026 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107436,7 +106304,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.026e-20 + Total alkalinity (eq/kg) = 2.961e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.761e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -107470,7 +106338,6 @@ N(5) 4.443e-04 NO3- 4.443e-04 4.271e-04 -3.352 -3.369 -0.017 29.49 Na 9.866e-04 Na+ 9.866e-04 9.492e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.538e-21 9.540e-21 -20.021 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107529,9 +106396,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.817e-19 + Total alkalinity (eq/kg) = 6.667e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.041e-15 + Electrical balance (eq) = 2.040e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -107563,7 +106430,6 @@ N(5) 5.064e-04 NO3- 5.064e-04 4.868e-04 -3.296 -3.313 -0.017 29.49 Na 9.933e-04 Na+ 9.933e-04 9.556e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.602e-21 9.605e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107622,9 +106488,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.410e-18 + Total alkalinity (eq/kg) = 1.341e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.401e-15 + Electrical balance (eq) = 1.402e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -107656,7 +106522,6 @@ N(5) 5.700e-04 NO3- 5.700e-04 5.481e-04 -3.244 -3.261 -0.017 29.49 Na 9.967e-04 Na+ 9.967e-04 9.589e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.635e-21 9.638e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107715,9 +106580,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.005e-18 + Total alkalinity (eq/kg) = 2.425e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.397e-16 + Electrical balance (eq) = 8.414e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -107749,7 +106614,6 @@ N(5) 6.342e-04 NO3- 6.342e-04 6.097e-04 -3.198 -3.215 -0.017 29.49 Na 9.984e-04 Na+ 9.984e-04 9.606e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.651e-21 9.654e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107808,9 +106672,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.783e-18 + Total alkalinity (eq/kg) = 3.148e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.322e-16 + Electrical balance (eq) = 3.344e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -107842,7 +106706,6 @@ N(5) 6.977e-04 NO3- 6.977e-04 6.707e-04 -3.156 -3.173 -0.017 29.49 Na 9.993e-04 Na+ 9.993e-04 9.614e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.659e-21 9.662e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107901,9 +106764,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.926e-18 + Total alkalinity (eq/kg) = 3.629e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.367e-16 + Electrical balance (eq) = -1.372e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -107935,7 +106798,6 @@ N(5) 7.594e-04 NO3- 7.594e-04 7.301e-04 -3.120 -3.137 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -107994,7 +106856,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.821e-18 + Total alkalinity (eq/kg) = 4.541e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -5.696e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -108028,7 +106890,6 @@ N(5) 8.183e-04 NO3- 8.183e-04 7.867e-04 -3.087 -3.104 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108087,9 +106948,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.710e-18 + Total alkalinity (eq/kg) = 5.074e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.510e-16 + Electrical balance (eq) = -9.507e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -108121,7 +106982,6 @@ N(5) 8.736e-04 NO3- 8.736e-04 8.399e-04 -3.059 -3.076 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108180,7 +107040,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.580e-18 + Total alkalinity (eq/kg) = 5.670e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.277e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -108214,7 +107074,6 @@ N(5) 9.245e-04 NO3- 9.245e-04 8.889e-04 -3.034 -3.051 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108273,7 +107132,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.943e-18 + Total alkalinity (eq/kg) = 6.279e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.542e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -108307,7 +107166,6 @@ N(5) 9.707e-04 NO3- 9.707e-04 9.332e-04 -3.013 -3.030 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108366,9 +107224,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.113e-18 + Total alkalinity (eq/kg) = 7.817e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.746e-15 + Electrical balance (eq) = -1.747e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -108400,7 +107258,6 @@ N(5) 1.012e-03 NO3- 1.012e-03 9.727e-04 -2.995 -3.012 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108459,9 +107316,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.897e-18 + Total alkalinity (eq/kg) = 8.278e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.904e-15 + Electrical balance (eq) = -1.905e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -108493,7 +107350,6 @@ N(5) 1.048e-03 NO3- 1.048e-03 1.007e-03 -2.980 -2.997 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108552,9 +107408,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.965e-18 + Total alkalinity (eq/kg) = 8.992e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.046e-15 + Electrical balance (eq) = -2.047e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -108586,7 +107442,6 @@ N(5) 1.078e-03 NO3- 1.078e-03 1.036e-03 -2.967 -2.984 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108645,9 +107500,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.736e-18 + Total alkalinity (eq/kg) = 9.198e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.198e-15 + Electrical balance (eq) = -2.199e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -108679,7 +107534,6 @@ N(5) 1.103e-03 NO3- 1.103e-03 1.060e-03 -2.957 -2.975 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108738,9 +107592,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.179e-18 + Total alkalinity (eq/kg) = 9.086e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.345e-15 + Electrical balance (eq) = -2.349e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -108772,7 +107626,6 @@ N(5) 1.121e-03 NO3- 1.121e-03 1.078e-03 -2.950 -2.967 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108831,9 +107684,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.529e-18 + Total alkalinity (eq/kg) = 9.097e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.481e-15 + Electrical balance (eq) = -2.485e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 2 Total H = 1.110124e+02 @@ -108865,7 +107718,6 @@ N(5) 1.131e-03 NO3- 1.131e-03 1.088e-03 -2.946 -2.964 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -108905,7 +107757,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -108936,7 +107788,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109063,9 +107914,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.116e-19 + Total alkalinity (eq/kg) = -4.823e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.903e-16 + Electrical balance (eq) = 4.900e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109100,7 +107951,6 @@ N(5) 7.323e-08 NO3- 7.323e-08 6.981e-08 -7.135 -7.156 -0.021 29.50 Na 2.309e-07 Na+ 2.309e-07 2.203e-07 -6.637 -6.657 -0.020 -1.46 - NaOH 2.203e-24 2.204e-24 -23.657 -23.657 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109161,9 +108011,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.367e-19 + Total alkalinity (eq/kg) = -4.891e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.288e-15 + Electrical balance (eq) = 1.287e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109198,7 +108048,6 @@ N(5) 1.306e-07 NO3- 1.306e-07 1.245e-07 -6.884 -6.905 -0.021 29.50 Na 4.141e-07 Na+ 4.141e-07 3.951e-07 -6.383 -6.403 -0.020 -1.46 - NaOH 3.952e-24 3.953e-24 -23.403 -23.403 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109259,9 +108108,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.046e-18 + Total alkalinity (eq/kg) = -8.681e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.079e-15 + Electrical balance (eq) = 2.078e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109296,7 +108145,6 @@ N(5) 2.517e-07 NO3- 2.517e-07 2.400e-07 -6.599 -6.620 -0.021 29.50 Na 8.046e-07 Na+ 8.046e-07 7.678e-07 -6.094 -6.115 -0.020 -1.46 - NaOH 7.679e-24 7.682e-24 -23.115 -23.115 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109357,9 +108205,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.236e-18 + Total alkalinity (eq/kg) = -4.618e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.645e-15 + Electrical balance (eq) = 2.643e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109394,7 +108242,6 @@ N(5) 4.585e-07 NO3- 4.585e-07 4.371e-07 -6.339 -6.359 -0.021 29.50 Na 1.484e-06 Na+ 1.484e-06 1.417e-06 -5.828 -5.849 -0.020 -1.46 - NaOH 1.417e-23 1.417e-23 -22.849 -22.849 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109455,9 +108302,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.444e-18 + Total alkalinity (eq/kg) = -6.556e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.233e-15 + Electrical balance (eq) = 3.232e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109492,7 +108339,6 @@ N(5) 7.953e-07 NO3- 7.953e-07 7.582e-07 -6.099 -6.120 -0.021 29.50 Na 2.621e-06 Na+ 2.621e-06 2.501e-06 -5.582 -5.602 -0.020 -1.46 - NaOH 2.502e-23 2.503e-23 -22.602 -22.602 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109553,7 +108399,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.794e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.201e-18 + Total alkalinity (eq/kg) = 1.588e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 3.937e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -109590,7 +108436,6 @@ N(5) 1.329e-06 NO3- 1.329e-06 1.267e-06 -5.876 -5.897 -0.021 29.50 Na 4.481e-06 Na+ 4.481e-06 4.277e-06 -5.349 -5.369 -0.020 -1.46 - NaOH 4.277e-23 4.279e-23 -22.369 -22.369 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109651,9 +108496,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.790e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.338e-19 + Total alkalinity (eq/kg) = 7.891e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.710e-15 + Electrical balance (eq) = 4.712e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109688,7 +108533,6 @@ N(5) 2.153e-06 NO3- 2.153e-06 2.052e-06 -5.667 -5.688 -0.021 29.50 Na 7.463e-06 Na+ 7.463e-06 7.123e-06 -5.127 -5.147 -0.020 -1.46 - NaOH 7.124e-23 7.127e-23 -22.147 -22.147 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109749,9 +108593,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.783e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.727e-19 + Total alkalinity (eq/kg) = 7.985e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.535e-15 + Electrical balance (eq) = 5.540e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109786,7 +108630,6 @@ N(5) 3.390e-06 NO3- 3.390e-06 3.233e-06 -5.470 -5.490 -0.021 29.50 Na 1.215e-05 Na+ 1.215e-05 1.160e-05 -4.915 -4.936 -0.020 -1.46 - NaOH 1.160e-22 1.161e-22 -21.935 -21.935 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109847,9 +108690,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.166e-19 + Total alkalinity (eq/kg) = 1.122e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.396e-15 + Electrical balance (eq) = 6.401e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109884,7 +108727,6 @@ N(5) 5.206e-06 NO3- 5.206e-06 4.964e-06 -5.284 -5.304 -0.021 29.50 Na 1.941e-05 Na+ 1.941e-05 1.853e-05 -4.712 -4.732 -0.020 -1.46 - NaOH 1.854e-22 1.854e-22 -21.732 -21.732 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -109945,9 +108787,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.839e-19 + Total alkalinity (eq/kg) = 1.666e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.280e-15 + Electrical balance (eq) = 7.286e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -109982,7 +108824,6 @@ N(5) 7.809e-06 NO3- 7.809e-06 7.449e-06 -5.107 -5.128 -0.021 29.50 Na 3.048e-05 Na+ 3.048e-05 2.910e-05 -4.516 -4.536 -0.020 -1.46 - NaOH 2.912e-22 2.913e-22 -21.536 -21.536 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110043,9 +108884,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.730e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.491e-19 + Total alkalinity (eq/kg) = 1.508e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.201e-15 + Electrical balance (eq) = 8.208e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -110080,7 +108921,6 @@ N(5) 1.146e-05 NO3- 1.146e-05 1.094e-05 -4.941 -4.961 -0.020 29.50 Na 4.714e-05 Na+ 4.714e-05 4.503e-05 -4.327 -4.347 -0.020 -1.46 - NaOH 4.506e-22 4.507e-22 -21.346 -21.346 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110141,9 +108981,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.691e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.841e-19 + Total alkalinity (eq/kg) = 1.963e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.219e-15 + Electrical balance (eq) = 9.226e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -110178,7 +109018,6 @@ N(5) 1.648e-05 NO3- 1.648e-05 1.573e-05 -4.783 -4.803 -0.020 29.50 Na 7.193e-05 Na+ 7.193e-05 6.873e-05 -4.143 -4.163 -0.020 -1.46 - NaOH 6.880e-22 6.883e-22 -21.162 -21.162 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110239,9 +109078,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.633e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.213e-19 + Total alkalinity (eq/kg) = 5.701e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.043e-14 + Electrical balance (eq) = 1.044e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -110276,7 +109115,6 @@ N(5) 2.324e-05 NO3- 2.324e-05 2.220e-05 -4.634 -4.654 -0.020 29.50 Na 1.084e-04 Na+ 1.084e-04 1.037e-04 -3.965 -3.984 -0.019 -1.46 - NaOH 1.038e-21 1.039e-21 -20.984 -20.983 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110337,9 +109175,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.548e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.021e-19 + Total alkalinity (eq/kg) = 4.492e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.157e-14 + Electrical balance (eq) = 1.158e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -110374,7 +109212,6 @@ N(5) 3.215e-05 NO3- 3.215e-05 3.075e-05 -4.493 -4.512 -0.019 29.50 Na 1.612e-04 Na+ 1.612e-04 1.543e-04 -3.793 -3.812 -0.019 -1.47 - NaOH 1.546e-21 1.546e-21 -20.811 -20.811 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110435,7 +109272,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.437e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.033e-19 + Total alkalinity (eq/kg) = -4.973e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.127e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -110472,7 +109309,6 @@ N(5) 4.369e-05 NO3- 4.369e-05 4.185e-05 -4.360 -4.378 -0.019 29.50 Na 2.337e-04 Na+ 2.337e-04 2.240e-04 -3.631 -3.650 -0.018 -1.47 - NaOH 2.247e-21 2.248e-21 -20.648 -20.648 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110533,9 +109369,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.314e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.012e-19 + Total alkalinity (eq/kg) = -7.003e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.091e-14 + Electrical balance (eq) = 1.092e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -110570,7 +109406,6 @@ N(5) 5.833e-05 NO3- 5.833e-05 5.598e-05 -4.234 -4.252 -0.018 29.49 Na 3.257e-04 Na+ 3.257e-04 3.128e-04 -3.487 -3.505 -0.018 -1.47 - NaOH 3.141e-21 3.142e-21 -20.503 -20.503 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110631,7 +109466,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.021e-18 + Total alkalinity (eq/kg) = -8.689e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.042e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -110668,7 +109503,6 @@ N(5) 7.658e-05 NO3- 7.658e-05 7.363e-05 -4.116 -4.133 -0.017 29.49 Na 4.325e-04 Na+ 4.325e-04 4.161e-04 -3.364 -3.381 -0.017 -1.47 - NaOH 4.181e-21 4.183e-21 -20.379 -20.379 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -110729,9 +109563,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.181e-18 + Total alkalinity (eq/kg) = -5.896e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.758e-15 + Electrical balance (eq) = 9.759e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -110766,7 +109600,6 @@ N(5) 9.890e-05 NO3- 9.890e-05 9.508e-05 -4.005 -4.022 -0.017 29.49 Na 5.297e-04 Na+ 5.297e-04 5.096e-04 -3.276 -3.293 -0.017 -1.47 - NaOH 5.120e-21 5.122e-21 -20.291 -20.291 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110827,9 +109660,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.265e-19 + Total alkalinity (eq/kg) = -5.587e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.970e-15 + Electrical balance (eq) = 8.971e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -110864,7 +109697,6 @@ N(5) 1.257e-04 NO3- 1.257e-04 1.208e-04 -3.901 -3.918 -0.017 29.49 Na 6.304e-04 Na+ 6.304e-04 6.065e-04 -3.200 -3.217 -0.017 -1.47 - NaOH 6.094e-21 6.096e-21 -20.215 -20.215 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -110925,9 +109757,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.374e-19 + Total alkalinity (eq/kg) = -3.369e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.102e-15 + Electrical balance (eq) = 8.103e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -110962,7 +109794,6 @@ N(5) 1.573e-04 NO3- 1.573e-04 1.512e-04 -3.803 -3.820 -0.017 29.49 Na 7.269e-04 Na+ 7.269e-04 6.994e-04 -3.139 -3.155 -0.017 -1.47 - NaOH 7.027e-21 7.029e-21 -20.153 -20.153 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111023,9 +109854,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.966e-19 + Total alkalinity (eq/kg) = -7.160e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.189e-15 + Electrical balance (eq) = 7.190e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -111060,7 +109891,6 @@ N(5) 1.939e-04 NO3- 1.939e-04 1.864e-04 -3.712 -3.729 -0.017 29.49 Na 8.120e-04 Na+ 8.120e-04 7.812e-04 -3.090 -3.107 -0.017 -1.47 - NaOH 7.850e-21 7.852e-21 -20.105 -20.105 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111121,9 +109951,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.514e-19 + Total alkalinity (eq/kg) = 4.985e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.259e-15 + Electrical balance (eq) = 6.261e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -111158,7 +109988,6 @@ N(5) 2.356e-04 NO3- 2.356e-04 2.265e-04 -3.628 -3.645 -0.017 29.49 Na 8.799e-04 Na+ 8.799e-04 8.465e-04 -3.056 -3.072 -0.017 -1.47 - NaOH 8.506e-21 8.508e-21 -20.070 -20.070 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111219,7 +110048,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.199e-20 + Total alkalinity (eq/kg) = 4.395e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.342e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -111256,7 +110085,6 @@ N(5) 2.821e-04 NO3- 2.821e-04 2.712e-04 -3.550 -3.567 -0.017 29.49 Na 9.284e-04 Na+ 9.284e-04 8.932e-04 -3.032 -3.049 -0.017 -1.47 - NaOH 8.975e-21 8.978e-21 -20.047 -20.047 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111315,7 +110143,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.572e-19 + Total alkalinity (eq/kg) = 3.850e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.457e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -111349,7 +110177,6 @@ N(5) 3.332e-04 NO3- 3.332e-04 3.204e-04 -3.477 -3.494 -0.017 29.49 Na 9.599e-04 Na+ 9.599e-04 9.235e-04 -3.018 -3.035 -0.017 -1.47 - NaOH 9.279e-21 9.281e-21 -20.033 -20.032 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111408,9 +110235,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.786e-20 + Total alkalinity (eq/kg) = 3.107e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.618e-15 + Electrical balance (eq) = 3.617e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -111442,7 +110269,6 @@ N(5) 3.884e-04 NO3- 3.884e-04 3.735e-04 -3.411 -3.428 -0.017 29.49 Na 9.785e-04 Na+ 9.785e-04 9.414e-04 -3.009 -3.026 -0.017 -1.47 - NaOH 9.459e-21 9.462e-21 -20.024 -20.024 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111501,7 +110327,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.991e-20 + Total alkalinity (eq/kg) = 8.523e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.837e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -111535,7 +110361,6 @@ N(5) 4.470e-04 NO3- 4.470e-04 4.297e-04 -3.350 -3.367 -0.017 29.49 Na 9.889e-04 Na+ 9.889e-04 9.514e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.560e-21 9.562e-21 -20.020 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111594,7 +110419,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.044e-19 + Total alkalinity (eq/kg) = 1.028e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 2.125e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -111628,7 +110453,6 @@ N(5) 5.080e-04 NO3- 5.080e-04 4.884e-04 -3.294 -3.311 -0.017 29.49 Na 9.944e-04 Na+ 9.944e-04 9.567e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.613e-21 9.616e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111687,9 +110511,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.298e-18 + Total alkalinity (eq/kg) = 1.454e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.488e-15 + Electrical balance (eq) = 1.489e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -111721,7 +110545,6 @@ N(5) 5.705e-04 NO3- 5.705e-04 5.485e-04 -3.244 -3.261 -0.017 29.49 Na 9.973e-04 Na+ 9.973e-04 9.595e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.640e-21 9.643e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111780,9 +110603,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.497e-18 + Total alkalinity (eq/kg) = 1.827e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.195e-16 + Electrical balance (eq) = 9.211e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -111814,7 +110637,6 @@ N(5) 6.335e-04 NO3- 6.335e-04 6.091e-04 -3.198 -3.215 -0.017 29.49 Na 9.987e-04 Na+ 9.987e-04 9.608e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.654e-21 9.657e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111873,9 +110695,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.649e-18 + Total alkalinity (eq/kg) = 2.978e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.040e-16 + Electrical balance (eq) = 4.059e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -111907,7 +110729,6 @@ N(5) 6.958e-04 NO3- 6.958e-04 6.690e-04 -3.157 -3.175 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -111966,9 +110787,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.984e-18 + Total alkalinity (eq/kg) = 3.974e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.148e-17 + Electrical balance (eq) = -7.098e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112000,7 +110821,6 @@ N(5) 7.565e-04 NO3- 7.565e-04 7.273e-04 -3.121 -3.138 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112059,9 +110879,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.764e-18 + Total alkalinity (eq/kg) = 5.086e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.064e-16 + Electrical balance (eq) = -5.065e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112093,7 +110913,6 @@ N(5) 8.145e-04 NO3- 8.145e-04 7.831e-04 -3.089 -3.106 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112152,9 +110971,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.344e-18 + Total alkalinity (eq/kg) = 5.182e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.898e-16 + Electrical balance (eq) = -8.892e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112186,7 +111005,6 @@ N(5) 8.691e-04 NO3- 8.691e-04 8.356e-04 -3.061 -3.078 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112245,9 +111063,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.161e-18 + Total alkalinity (eq/kg) = 5.718e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.215e-15 + Electrical balance (eq) = -1.213e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112279,7 +111097,6 @@ N(5) 9.196e-04 NO3- 9.196e-04 8.841e-04 -3.036 -3.054 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112338,9 +111155,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.123e-18 + Total alkalinity (eq/kg) = 6.703e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.478e-15 + Electrical balance (eq) = -1.476e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112372,7 +111189,6 @@ N(5) 9.654e-04 NO3- 9.654e-04 9.281e-04 -3.015 -3.032 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112431,9 +111247,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.374e-18 + Total alkalinity (eq/kg) = 7.615e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.682e-15 + Electrical balance (eq) = -1.683e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112465,7 +111281,6 @@ N(5) 1.006e-03 NO3- 1.006e-03 9.674e-04 -2.997 -3.014 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112524,9 +111339,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.647e-18 + Total alkalinity (eq/kg) = 8.316e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.844e-15 + Electrical balance (eq) = -1.845e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112558,7 +111373,6 @@ N(5) 1.042e-03 NO3- 1.042e-03 1.002e-03 -2.982 -2.999 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112617,9 +111431,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.798e-18 + Total alkalinity (eq/kg) = 9.181e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.986e-15 + Electrical balance (eq) = -1.987e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112651,7 +111465,6 @@ N(5) 1.071e-03 NO3- 1.071e-03 1.030e-03 -2.970 -2.987 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112710,9 +111523,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.017e-17 + Total alkalinity (eq/kg) = 9.405e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.114e-15 + Electrical balance (eq) = -2.116e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -112744,7 +111557,6 @@ N(5) 1.094e-03 NO3- 1.094e-03 1.051e-03 -2.961 -2.978 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112803,9 +111615,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.595e-18 + Total alkalinity (eq/kg) = 9.273e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.178e-15 + Electrical balance (eq) = -2.180e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 2 Total H = 1.110124e+02 @@ -112837,7 +111649,6 @@ N(5) 1.106e-03 NO3- 1.106e-03 1.063e-03 -2.956 -2.974 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -112877,7 +111688,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -112908,7 +111719,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113035,9 +111845,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.880e-20 + Total alkalinity (eq/kg) = 3.529e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.874e-16 + Electrical balance (eq) = 4.860e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113072,7 +111882,6 @@ N(5) 5.519e-08 NO3- 5.519e-08 5.261e-08 -7.258 -7.279 -0.021 29.50 Na 1.770e-07 Na+ 1.770e-07 1.689e-07 -6.752 -6.772 -0.020 -1.46 - NaOH 1.689e-24 1.690e-24 -23.772 -23.772 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113133,7 +111942,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.435e-19 + Total alkalinity (eq/kg) = -4.225e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.182e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -113170,7 +111979,6 @@ N(5) 9.857e-08 NO3- 9.857e-08 9.397e-08 -7.006 -7.027 -0.021 29.50 Na 3.177e-07 Na+ 3.177e-07 3.031e-07 -6.498 -6.518 -0.020 -1.46 - NaOH 3.032e-24 3.033e-24 -23.518 -23.518 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113231,9 +112039,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.659e-19 + Total alkalinity (eq/kg) = 1.460e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.906e-15 + Electrical balance (eq) = 1.905e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113268,7 +112076,6 @@ N(5) 1.903e-07 NO3- 1.903e-07 1.814e-07 -6.721 -6.741 -0.021 29.50 Na 6.181e-07 Na+ 6.181e-07 5.898e-07 -6.209 -6.229 -0.020 -1.46 - NaOH 5.899e-24 5.901e-24 -23.229 -23.229 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113329,9 +112136,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.043e-18 + Total alkalinity (eq/kg) = -8.217e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.438e-15 + Electrical balance (eq) = 2.436e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113366,7 +112173,6 @@ N(5) 3.474e-07 NO3- 3.474e-07 3.312e-07 -6.459 -6.480 -0.021 29.50 Na 1.142e-06 Na+ 1.142e-06 1.090e-06 -5.942 -5.963 -0.020 -1.46 - NaOH 1.090e-23 1.091e-23 -22.963 -22.962 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113427,9 +112233,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.339e-18 + Total alkalinity (eq/kg) = -3.558e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.957e-15 + Electrical balance (eq) = 2.955e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113464,7 +112270,6 @@ N(5) 6.042e-07 NO3- 6.042e-07 5.760e-07 -6.219 -6.240 -0.021 29.50 Na 2.021e-06 Na+ 2.021e-06 1.928e-06 -5.695 -5.715 -0.020 -1.46 - NaOH 1.929e-23 1.929e-23 -22.715 -22.715 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113525,9 +112330,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.021e-18 + Total alkalinity (eq/kg) = 2.178e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.549e-15 + Electrical balance (eq) = 3.546e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113562,7 +112367,6 @@ N(5) 1.013e-06 NO3- 1.013e-06 9.658e-07 -5.994 -6.015 -0.021 29.50 Na 3.462e-06 Na+ 3.462e-06 3.304e-06 -5.461 -5.481 -0.020 -1.46 - NaOH 3.305e-23 3.306e-23 -22.481 -22.481 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113623,9 +112427,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.792e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.998e-19 + Total alkalinity (eq/kg) = 2.351e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.203e-15 + Electrical balance (eq) = 4.202e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113660,7 +112464,6 @@ N(5) 1.647e-06 NO3- 1.647e-06 1.570e-06 -5.783 -5.804 -0.021 29.50 Na 5.780e-06 Na+ 5.780e-06 5.517e-06 -5.238 -5.258 -0.020 -1.46 - NaOH 5.518e-23 5.520e-23 -22.258 -22.258 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113721,9 +112524,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.786e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.186e-19 + Total alkalinity (eq/kg) = 1.601e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.935e-15 + Electrical balance (eq) = 4.937e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113758,7 +112561,6 @@ N(5) 2.604e-06 NO3- 2.604e-06 2.483e-06 -5.584 -5.605 -0.021 29.50 Na 9.438e-06 Na+ 9.438e-06 9.008e-06 -5.025 -5.045 -0.020 -1.46 - NaOH 9.010e-23 9.014e-23 -22.045 -22.045 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113819,9 +112621,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.778e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.083e-19 + Total alkalinity (eq/kg) = 6.909e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.732e-15 + Electrical balance (eq) = 5.736e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113856,7 +112658,6 @@ N(5) 4.016e-06 NO3- 4.016e-06 3.830e-06 -5.396 -5.417 -0.021 29.50 Na 1.512e-05 Na+ 1.512e-05 1.443e-05 -4.820 -4.841 -0.020 -1.46 - NaOH 1.444e-22 1.444e-22 -21.841 -21.840 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -113917,9 +112718,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.764e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.738e-20 + Total alkalinity (eq/kg) = 1.280e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.579e-15 + Electrical balance (eq) = 6.584e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -113954,7 +112755,6 @@ N(5) 6.054e-06 NO3- 6.054e-06 5.774e-06 -5.218 -5.239 -0.021 29.50 Na 2.381e-05 Na+ 2.381e-05 2.273e-05 -4.623 -4.643 -0.020 -1.46 - NaOH 2.274e-22 2.275e-22 -21.643 -21.643 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114015,9 +112815,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.744e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.509e-19 + Total alkalinity (eq/kg) = 1.455e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.478e-15 + Electrical balance (eq) = 7.484e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -114052,7 +112852,6 @@ N(5) 8.934e-06 NO3- 8.934e-06 8.523e-06 -5.049 -5.069 -0.020 29.50 Na 3.695e-05 Na+ 3.695e-05 3.528e-05 -4.432 -4.452 -0.020 -1.46 - NaOH 3.530e-22 3.532e-22 -21.452 -21.452 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114113,9 +112912,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.713e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.128e-19 + Total alkalinity (eq/kg) = 1.408e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.454e-15 + Electrical balance (eq) = 8.461e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -114150,7 +112949,6 @@ N(5) 1.292e-05 NO3- 1.292e-05 1.233e-05 -4.889 -4.909 -0.020 29.50 Na 5.656e-05 Na+ 5.656e-05 5.403e-05 -4.247 -4.267 -0.020 -1.46 - NaOH 5.408e-22 5.410e-22 -21.267 -21.267 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114211,9 +113009,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.666e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.350e-21 + Total alkalinity (eq/kg) = 1.463e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.559e-15 + Electrical balance (eq) = 9.565e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -114248,7 +113046,6 @@ N(5) 1.833e-05 NO3- 1.833e-05 1.750e-05 -4.737 -4.757 -0.020 29.50 Na 8.550e-05 Na+ 8.550e-05 8.173e-05 -4.068 -4.088 -0.020 -1.46 - NaOH 8.182e-22 8.185e-22 -21.087 -21.087 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114309,7 +113106,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.597e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.931e-19 + Total alkalinity (eq/kg) = 6.996e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.079e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -114346,7 +113143,6 @@ N(5) 2.552e-05 NO3- 2.552e-05 2.439e-05 -4.593 -4.613 -0.020 29.50 Na 1.278e-04 Na+ 1.278e-04 1.222e-04 -3.894 -3.913 -0.019 -1.47 - NaOH 1.224e-21 1.225e-21 -20.912 -20.912 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114407,7 +113203,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.499e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.624e-19 + Total alkalinity (eq/kg) = 8.951e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.144e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -114444,7 +113240,6 @@ N(5) 3.491e-05 NO3- 3.491e-05 3.342e-05 -4.457 -4.476 -0.019 29.50 Na 1.882e-04 Na+ 1.882e-04 1.802e-04 -3.725 -3.744 -0.019 -1.47 - NaOH 1.807e-21 1.808e-21 -20.743 -20.743 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114505,7 +113300,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.369e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.394e-19 + Total alkalinity (eq/kg) = -1.116e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.125e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -114542,7 +113337,6 @@ N(5) 4.695e-05 NO3- 4.695e-05 4.503e-05 -4.328 -4.347 -0.018 29.49 Na 2.699e-04 Na+ 2.699e-04 2.590e-04 -3.569 -3.587 -0.018 -1.47 - NaOH 2.599e-21 2.600e-21 -20.585 -20.585 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114603,9 +113397,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.225e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.428e-20 + Total alkalinity (eq/kg) = -5.355e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.082e-14 + Electrical balance (eq) = 1.083e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -114640,7 +113434,6 @@ N(5) 6.211e-05 NO3- 6.211e-05 5.969e-05 -4.207 -4.224 -0.017 29.49 Na 3.703e-04 Na+ 3.703e-04 3.562e-04 -3.431 -3.448 -0.017 -1.47 - NaOH 3.578e-21 3.579e-21 -20.446 -20.446 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114701,7 +113494,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.583e-19 + Total alkalinity (eq/kg) = -5.898e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.028e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -114738,7 +113531,6 @@ N(5) 8.083e-05 NO3- 8.083e-05 7.771e-05 -4.092 -4.110 -0.017 29.49 Na 4.655e-04 Na+ 4.655e-04 4.478e-04 -3.332 -3.349 -0.017 -1.47 - NaOH 4.500e-21 4.501e-21 -20.347 -20.347 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -114799,9 +113591,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.435e-20 + Total alkalinity (eq/kg) = -2.678e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.629e-15 + Electrical balance (eq) = 9.631e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -114836,7 +113628,6 @@ N(5) 1.036e-04 NO3- 1.036e-04 9.957e-05 -3.985 -4.002 -0.017 29.49 Na 5.641e-04 Na+ 5.641e-04 5.427e-04 -3.249 -3.265 -0.017 -1.47 - NaOH 5.453e-21 5.455e-21 -20.263 -20.263 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114897,9 +113688,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.505e-19 + Total alkalinity (eq/kg) = -3.479e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.883e-15 + Electrical balance (eq) = 8.885e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -114934,7 +113725,6 @@ N(5) 1.307e-04 NO3- 1.307e-04 1.256e-04 -3.884 -3.901 -0.017 29.49 Na 6.634e-04 Na+ 6.634e-04 6.383e-04 -3.178 -3.195 -0.017 -1.47 - NaOH 6.413e-21 6.415e-21 -20.193 -20.193 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -114995,9 +113785,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.482e-19 + Total alkalinity (eq/kg) = 6.366e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.053e-15 + Electrical balance (eq) = 8.054e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -115032,7 +113822,6 @@ N(5) 1.625e-04 NO3- 1.625e-04 1.562e-04 -3.789 -3.806 -0.017 29.49 Na 7.562e-04 Na+ 7.562e-04 7.275e-04 -3.121 -3.138 -0.017 -1.47 - NaOH 7.310e-21 7.312e-21 -20.136 -20.136 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115093,9 +113882,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.611e-19 + Total alkalinity (eq/kg) = 9.614e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.177e-15 + Electrical balance (eq) = 7.179e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -115130,7 +113919,6 @@ N(5) 1.991e-04 NO3- 1.991e-04 1.914e-04 -3.701 -3.718 -0.017 29.49 Na 8.356e-04 Na+ 8.356e-04 8.039e-04 -3.078 -3.095 -0.017 -1.47 - NaOH 8.078e-21 8.080e-21 -20.093 -20.093 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115191,9 +113979,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.074e-20 + Total alkalinity (eq/kg) = -8.154e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.291e-15 + Electrical balance (eq) = 6.293e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115228,7 +114016,6 @@ N(5) 2.406e-04 NO3- 2.406e-04 2.313e-04 -3.619 -3.636 -0.017 29.49 Na 8.969e-04 Na+ 8.969e-04 8.629e-04 -3.047 -3.064 -0.017 -1.47 - NaOH 8.671e-21 8.673e-21 -20.062 -20.062 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115289,9 +114076,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.259e-20 + Total alkalinity (eq/kg) = 1.343e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.415e-15 + Electrical balance (eq) = 5.417e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115326,7 +114113,6 @@ N(5) 2.868e-04 NO3- 2.868e-04 2.758e-04 -3.542 -3.559 -0.017 29.49 Na 9.395e-04 Na+ 9.395e-04 9.039e-04 -3.027 -3.044 -0.017 -1.47 - NaOH 9.083e-21 9.085e-21 -20.042 -20.042 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115385,9 +114171,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.436e-19 + Total alkalinity (eq/kg) = 1.861e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.556e-15 + Electrical balance (eq) = 4.557e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115419,7 +114205,6 @@ N(5) 3.374e-04 NO3- 3.374e-04 3.244e-04 -3.472 -3.489 -0.017 29.49 Na 9.664e-04 Na+ 9.664e-04 9.298e-04 -3.015 -3.032 -0.017 -1.47 - NaOH 9.342e-21 9.345e-21 -20.030 -20.029 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115478,7 +114263,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.216e-19 + Total alkalinity (eq/kg) = 2.254e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.720e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -115512,7 +114297,6 @@ N(5) 3.919e-04 NO3- 3.919e-04 3.768e-04 -3.407 -3.424 -0.017 29.49 Na 9.821e-04 Na+ 9.821e-04 9.449e-04 -3.008 -3.025 -0.017 -1.47 - NaOH 9.494e-21 9.497e-21 -20.023 -20.022 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115571,9 +114355,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.230e-19 + Total alkalinity (eq/kg) = 7.943e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.929e-15 + Electrical balance (eq) = 2.930e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115605,7 +114389,6 @@ N(5) 4.495e-04 NO3- 4.495e-04 4.322e-04 -3.347 -3.364 -0.017 29.49 Na 9.908e-04 Na+ 9.908e-04 9.532e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.578e-21 9.580e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115664,9 +114447,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.841e-19 + Total alkalinity (eq/kg) = 1.141e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.208e-15 + Electrical balance (eq) = 2.207e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115698,7 +114481,6 @@ N(5) 5.096e-04 NO3- 5.096e-04 4.899e-04 -3.293 -3.310 -0.017 29.49 Na 9.954e-04 Na+ 9.954e-04 9.577e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.622e-21 9.625e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115757,9 +114539,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.396e-18 + Total alkalinity (eq/kg) = 1.118e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.562e-15 + Electrical balance (eq) = 1.563e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115791,7 +114573,6 @@ N(5) 5.710e-04 NO3- 5.710e-04 5.490e-04 -3.243 -3.260 -0.017 29.49 Na 9.977e-04 Na+ 9.977e-04 9.599e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.645e-21 9.647e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115850,9 +114631,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.801e-18 + Total alkalinity (eq/kg) = 2.118e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.861e-16 + Electrical balance (eq) = 9.873e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115884,7 +114665,6 @@ N(5) 6.329e-04 NO3- 6.329e-04 6.084e-04 -3.199 -3.216 -0.017 29.49 Na 9.989e-04 Na+ 9.989e-04 9.611e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.656e-21 9.659e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -115943,9 +114723,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.841e-18 + Total alkalinity (eq/kg) = 3.133e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.635e-16 + Electrical balance (eq) = 4.651e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -115977,7 +114757,6 @@ N(5) 6.941e-04 NO3- 6.941e-04 6.673e-04 -3.159 -3.176 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116036,9 +114815,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.609e-18 + Total alkalinity (eq/kg) = 4.276e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.438e-17 + Electrical balance (eq) = -1.400e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116070,7 +114849,6 @@ N(5) 7.538e-04 NO3- 7.538e-04 7.247e-04 -3.123 -3.140 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116129,9 +114907,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.905e-18 + Total alkalinity (eq/kg) = 4.570e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.476e-16 + Electrical balance (eq) = -4.463e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116163,7 +114941,6 @@ N(5) 8.110e-04 NO3- 8.110e-04 7.797e-04 -3.091 -3.108 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116222,9 +114999,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.569e-18 + Total alkalinity (eq/kg) = 4.989e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.280e-16 + Electrical balance (eq) = -8.274e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116256,7 +115033,6 @@ N(5) 8.649e-04 NO3- 8.649e-04 8.315e-04 -3.063 -3.080 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116315,7 +115091,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.772e-18 + Total alkalinity (eq/kg) = 5.481e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.151e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -116349,7 +115125,6 @@ N(5) 9.148e-04 NO3- 9.148e-04 8.795e-04 -3.039 -3.056 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116408,9 +115183,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.433e-18 + Total alkalinity (eq/kg) = 6.535e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.416e-15 + Electrical balance (eq) = -1.417e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116442,7 +115217,6 @@ N(5) 9.602e-04 NO3- 9.602e-04 9.231e-04 -3.018 -3.035 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116501,9 +115275,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.008e-17 + Total alkalinity (eq/kg) = 7.872e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.623e-15 + Electrical balance (eq) = -1.624e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116535,7 +115309,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.619e-04 -3.000 -3.017 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116594,9 +115367,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.044e-17 + Total alkalinity (eq/kg) = 8.004e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.781e-15 + Electrical balance (eq) = -1.782e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116628,7 +115401,6 @@ N(5) 1.035e-03 NO3- 1.035e-03 9.948e-04 -2.985 -3.002 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116687,9 +115459,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.086e-17 + Total alkalinity (eq/kg) = 9.691e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.895e-15 + Electrical balance (eq) = -1.898e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116721,7 +115493,6 @@ N(5) 1.060e-03 NO3- 1.060e-03 1.020e-03 -2.974 -2.992 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116780,9 +115551,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.026e-17 + Total alkalinity (eq/kg) = 9.163e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.960e-15 + Electrical balance (eq) = -1.962e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -116814,7 +115585,6 @@ N(5) 1.075e-03 NO3- 1.075e-03 1.033e-03 -2.969 -2.986 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -116854,7 +115624,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -116885,7 +115655,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117012,9 +115781,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.478e-19 + Total alkalinity (eq/kg) = -5.030e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.539e-16 + Electrical balance (eq) = 4.559e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -117049,7 +115818,6 @@ N(5) 4.164e-08 NO3- 4.164e-08 3.970e-08 -7.380 -7.401 -0.021 29.50 Na 1.358e-07 Na+ 1.358e-07 1.296e-07 -6.867 -6.888 -0.020 -1.46 - NaOH 1.296e-24 1.296e-24 -23.887 -23.887 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117110,7 +115878,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.002e-18 + Total alkalinity (eq/kg) = -6.822e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.048e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -117147,7 +115915,6 @@ N(5) 7.447e-08 NO3- 7.447e-08 7.099e-08 -7.128 -7.149 -0.021 29.50 Na 2.439e-07 Na+ 2.439e-07 2.328e-07 -6.613 -6.633 -0.020 -1.46 - NaOH 2.328e-24 2.329e-24 -23.633 -23.633 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117208,7 +115975,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.403e-18 + Total alkalinity (eq/kg) = -8.837e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.691e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -117245,7 +116012,6 @@ N(5) 1.440e-07 NO3- 1.440e-07 1.373e-07 -6.842 -6.862 -0.021 29.50 Na 4.751e-07 Na+ 4.751e-07 4.534e-07 -6.323 -6.343 -0.020 -1.46 - NaOH 4.535e-24 4.537e-24 -23.343 -23.343 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117306,7 +116072,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.634e-19 + Total alkalinity (eq/kg) = -8.071e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.187e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -117343,7 +116109,6 @@ N(5) 2.634e-07 NO3- 2.634e-07 2.511e-07 -6.579 -6.600 -0.021 29.50 Na 8.794e-07 Na+ 8.794e-07 8.392e-07 -6.056 -6.076 -0.020 -1.46 - NaOH 8.393e-24 8.397e-24 -23.076 -23.076 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117404,9 +116169,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.073e-18 + Total alkalinity (eq/kg) = -1.075e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.671e-15 + Electrical balance (eq) = 2.670e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -117441,7 +116206,6 @@ N(5) 4.594e-07 NO3- 4.594e-07 4.379e-07 -6.338 -6.359 -0.021 29.50 Na 1.559e-06 Na+ 1.559e-06 1.487e-06 -5.807 -5.828 -0.020 -1.46 - NaOH 1.488e-23 1.488e-23 -22.828 -22.827 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117502,7 +116266,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.129e-18 + Total alkalinity (eq/kg) = -6.368e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.199e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -117539,7 +116303,6 @@ N(5) 7.725e-07 NO3- 7.725e-07 7.364e-07 -6.112 -6.133 -0.021 29.50 Na 2.676e-06 Na+ 2.676e-06 2.554e-06 -5.572 -5.593 -0.020 -1.46 - NaOH 2.554e-23 2.555e-23 -22.593 -22.593 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117600,7 +116363,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.763e-19 + Total alkalinity (eq/kg) = -6.827e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.775e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -117637,7 +116400,6 @@ N(5) 1.260e-06 NO3- 1.260e-06 1.201e-06 -5.900 -5.920 -0.021 29.50 Na 4.478e-06 Na+ 4.478e-06 4.274e-06 -5.349 -5.369 -0.020 -1.46 - NaOH 4.275e-23 4.276e-23 -22.369 -22.369 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117698,9 +116460,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.505e-19 + Total alkalinity (eq/kg) = 1.988e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.421e-15 + Electrical balance (eq) = 4.420e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -117735,7 +116497,6 @@ N(5) 2.000e-06 NO3- 2.000e-06 1.907e-06 -5.699 -5.720 -0.021 29.50 Na 7.331e-06 Na+ 7.331e-06 6.996e-06 -5.135 -5.155 -0.020 -1.46 - NaOH 6.998e-23 7.001e-23 -22.155 -22.155 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117796,9 +116557,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = 1.878e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.136e-15 + Electrical balance (eq) = 5.138e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -117833,7 +116594,6 @@ N(5) 3.098e-06 NO3- 3.098e-06 2.954e-06 -5.509 -5.530 -0.021 29.50 Na 1.177e-05 Na+ 1.177e-05 1.124e-05 -4.929 -4.949 -0.020 -1.46 - NaOH 1.124e-22 1.125e-22 -21.949 -21.949 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117894,9 +116654,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.226e-19 + Total alkalinity (eq/kg) = 4.333e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.921e-15 + Electrical balance (eq) = 5.925e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -117931,7 +116691,6 @@ N(5) 4.692e-06 NO3- 4.692e-06 4.474e-06 -5.329 -5.349 -0.021 29.50 Na 1.860e-05 Na+ 1.860e-05 1.775e-05 -4.731 -4.751 -0.020 -1.46 - NaOH 1.776e-22 1.777e-22 -21.751 -21.750 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -117992,9 +116751,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.476e-19 + Total alkalinity (eq/kg) = 2.883e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.771e-15 + Electrical balance (eq) = 6.775e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -118029,7 +116788,6 @@ N(5) 6.958e-06 NO3- 6.958e-06 6.637e-06 -5.158 -5.178 -0.021 29.50 Na 2.894e-05 Na+ 2.894e-05 2.763e-05 -4.538 -4.559 -0.020 -1.46 - NaOH 2.765e-22 2.766e-22 -21.558 -21.558 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118090,9 +116848,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.730e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.691e-20 + Total alkalinity (eq/kg) = 1.028e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.694e-15 + Electrical balance (eq) = 7.700e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -118127,7 +116885,6 @@ N(5) 1.012e-05 NO3- 1.012e-05 9.652e-06 -4.995 -5.015 -0.020 29.50 Na 4.444e-05 Na+ 4.444e-05 4.245e-05 -4.352 -4.372 -0.020 -1.46 - NaOH 4.247e-22 4.249e-22 -21.372 -21.372 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118188,9 +116945,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.692e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.387e-19 + Total alkalinity (eq/kg) = 1.715e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.741e-15 + Electrical balance (eq) = 8.748e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -118225,7 +116982,6 @@ N(5) 1.443e-05 NO3- 1.443e-05 1.378e-05 -4.841 -4.861 -0.020 29.50 Na 6.744e-05 Na+ 6.744e-05 6.444e-05 -4.171 -4.191 -0.020 -1.46 - NaOH 6.450e-22 6.453e-22 -21.190 -21.190 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118286,9 +117042,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.635e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.619e-19 + Total alkalinity (eq/kg) = 1.101e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.985e-15 + Electrical balance (eq) = 9.991e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -118323,7 +117079,6 @@ N(5) 2.022e-05 NO3- 2.022e-05 1.932e-05 -4.694 -4.714 -0.020 29.50 Na 1.012e-04 Na+ 1.012e-04 9.680e-05 -3.995 -4.014 -0.019 -1.46 - NaOH 9.693e-22 9.697e-22 -21.014 -21.013 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118384,9 +117139,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.553e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.612e-19 + Total alkalinity (eq/kg) = 6.677e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.118e-14 + Electrical balance (eq) = 1.119e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -118421,7 +117176,6 @@ N(5) 2.784e-05 NO3- 2.784e-05 2.663e-05 -4.555 -4.575 -0.019 29.50 Na 1.500e-04 Na+ 1.500e-04 1.436e-04 -3.824 -3.843 -0.019 -1.47 - NaOH 1.439e-21 1.439e-21 -20.842 -20.842 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118482,7 +117236,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.444e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.420e-19 + Total alkalinity (eq/kg) = 4.550e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.115e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -118519,7 +117273,6 @@ N(5) 3.770e-05 NO3- 3.770e-05 3.611e-05 -4.424 -4.442 -0.019 29.50 Na 2.173e-04 Na+ 2.173e-04 2.083e-04 -3.663 -3.681 -0.018 -1.47 - NaOH 2.089e-21 2.090e-21 -20.680 -20.680 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118580,7 +117333,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.321e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.578e-19 + Total alkalinity (eq/kg) = -3.367e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.101e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -118617,7 +117370,6 @@ N(5) 5.022e-05 NO3- 5.022e-05 4.819e-05 -4.299 -4.317 -0.018 29.49 Na 3.037e-04 Na+ 3.037e-04 2.917e-04 -3.518 -3.535 -0.018 -1.47 - NaOH 2.928e-21 2.929e-21 -20.533 -20.533 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118678,7 +117430,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.202e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.830e-19 + Total alkalinity (eq/kg) = -4.093e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.068e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -118715,7 +117467,6 @@ N(5) 6.585e-05 NO3- 6.585e-05 6.331e-05 -4.181 -4.199 -0.017 29.49 Na 4.058e-04 Na+ 4.058e-04 3.904e-04 -3.392 -3.409 -0.017 -1.47 - NaOH 3.922e-21 3.924e-21 -20.406 -20.406 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -118776,7 +117527,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.302e-20 + Total alkalinity (eq/kg) = -8.176e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.016e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -118813,7 +117564,6 @@ N(5) 8.502e-05 NO3- 8.502e-05 8.174e-05 -4.070 -4.088 -0.017 29.49 Na 4.993e-04 Na+ 4.993e-04 4.804e-04 -3.302 -3.318 -0.017 -1.47 - NaOH 4.827e-21 4.828e-21 -20.316 -20.316 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118874,9 +117624,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.838e-20 + Total alkalinity (eq/kg) = -2.415e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.530e-15 + Electrical balance (eq) = 9.531e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -118911,7 +117661,6 @@ N(5) 1.081e-04 NO3- 1.081e-04 1.040e-04 -3.966 -3.983 -0.017 29.49 Na 5.981e-04 Na+ 5.981e-04 5.754e-04 -3.223 -3.240 -0.017 -1.47 - NaOH 5.782e-21 5.784e-21 -20.238 -20.238 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -118972,9 +117721,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.190e-21 + Total alkalinity (eq/kg) = -1.464e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.802e-15 + Electrical balance (eq) = 8.804e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -119009,7 +117758,6 @@ N(5) 1.355e-04 NO3- 1.355e-04 1.303e-04 -3.868 -3.885 -0.017 29.49 Na 6.952e-04 Na+ 6.952e-04 6.689e-04 -3.158 -3.175 -0.017 -1.47 - NaOH 6.721e-21 6.723e-21 -20.173 -20.172 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119070,9 +117818,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.717e-20 + Total alkalinity (eq/kg) = 2.860e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.005e-15 + Electrical balance (eq) = 8.007e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -119107,7 +117855,6 @@ N(5) 1.675e-04 NO3- 1.675e-04 1.610e-04 -3.776 -3.793 -0.017 29.49 Na 7.837e-04 Na+ 7.837e-04 7.540e-04 -3.106 -3.123 -0.017 -1.47 - NaOH 7.576e-21 7.578e-21 -20.121 -20.120 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119168,9 +117915,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.757e-21 + Total alkalinity (eq/kg) = 5.598e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.163e-15 + Electrical balance (eq) = 7.166e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -119205,7 +117952,6 @@ N(5) 2.042e-04 NO3- 2.042e-04 1.963e-04 -3.690 -3.707 -0.017 29.49 Na 8.571e-04 Na+ 8.571e-04 8.246e-04 -3.067 -3.084 -0.017 -1.47 - NaOH 8.285e-21 8.288e-21 -20.082 -20.082 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119266,9 +118012,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.624e-20 + Total alkalinity (eq/kg) = -1.305e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.303e-15 + Electrical balance (eq) = 6.306e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -119303,7 +118049,6 @@ N(5) 2.455e-04 NO3- 2.455e-04 2.360e-04 -3.610 -3.627 -0.017 29.49 Na 9.120e-04 Na+ 9.120e-04 8.774e-04 -3.040 -3.057 -0.017 -1.47 - NaOH 8.816e-21 8.819e-21 -20.055 -20.055 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119364,9 +118109,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.915e-19 + Total alkalinity (eq/kg) = 1.533e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.445e-15 + Electrical balance (eq) = 5.448e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -119401,7 +118146,6 @@ N(5) 2.914e-04 NO3- 2.914e-04 2.801e-04 -3.536 -3.553 -0.017 29.49 Na 9.491e-04 Na+ 9.491e-04 9.131e-04 -3.023 -3.039 -0.017 -1.47 - NaOH 9.175e-21 9.177e-21 -20.037 -20.037 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119460,9 +118204,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.131e-19 + Total alkalinity (eq/kg) = 4.744e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.601e-15 + Electrical balance (eq) = 4.602e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -119494,7 +118238,6 @@ N(5) 3.414e-04 NO3- 3.414e-04 3.283e-04 -3.467 -3.484 -0.017 29.49 Na 9.720e-04 Na+ 9.720e-04 9.351e-04 -3.012 -3.029 -0.017 -1.47 - NaOH 9.396e-21 9.399e-21 -20.027 -20.027 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119553,9 +118296,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.846e-19 + Total alkalinity (eq/kg) = 2.885e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.780e-15 + Electrical balance (eq) = 3.781e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -119587,7 +118330,6 @@ N(5) 3.952e-04 NO3- 3.952e-04 3.799e-04 -3.403 -3.420 -0.017 29.49 Na 9.852e-04 Na+ 9.852e-04 9.478e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.523e-21 9.526e-21 -20.021 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119646,7 +118388,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.620e-19 + Total alkalinity (eq/kg) = 5.855e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.003e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -119680,7 +118422,6 @@ N(5) 4.520e-04 NO3- 4.520e-04 4.345e-04 -3.345 -3.362 -0.017 29.49 Na 9.924e-04 Na+ 9.924e-04 9.547e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.593e-21 9.596e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119739,9 +118480,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.523e-19 + Total alkalinity (eq/kg) = 1.025e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.284e-15 + Electrical balance (eq) = 2.285e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -119773,7 +118514,6 @@ N(5) 5.110e-04 NO3- 5.110e-04 4.913e-04 -3.292 -3.309 -0.017 29.49 Na 9.962e-04 Na+ 9.962e-04 9.584e-04 -3.002 -3.018 -0.017 -1.47 - NaOH 9.630e-21 9.632e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119832,9 +118572,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.382e-19 + Total alkalinity (eq/kg) = 2.032e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.636e-15 + Electrical balance (eq) = 1.635e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -119866,7 +118606,6 @@ N(5) 5.714e-04 NO3- 5.714e-04 5.494e-04 -3.243 -3.260 -0.017 29.49 Na 9.981e-04 Na+ 9.981e-04 9.603e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.648e-21 9.651e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -119925,9 +118664,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.986e-18 + Total alkalinity (eq/kg) = 2.529e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.049e-15 + Electrical balance (eq) = 1.050e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -119959,7 +118698,6 @@ N(5) 6.322e-04 NO3- 6.322e-04 6.078e-04 -3.199 -3.216 -0.017 29.49 Na 9.991e-04 Na+ 9.991e-04 9.612e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.658e-21 9.660e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120018,9 +118756,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.001e-18 + Total alkalinity (eq/kg) = 3.392e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.194e-16 + Electrical balance (eq) = 5.200e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -120052,7 +118790,6 @@ N(5) 6.925e-04 NO3- 6.925e-04 6.658e-04 -3.160 -3.177 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120111,9 +118848,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.444e-18 + Total alkalinity (eq/kg) = 4.360e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.078e-17 + Electrical balance (eq) = 4.103e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -120145,7 +118882,6 @@ N(5) 7.512e-04 NO3- 7.512e-04 7.222e-04 -3.124 -3.141 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120204,9 +118940,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.724e-18 + Total alkalinity (eq/kg) = 4.882e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.902e-16 + Electrical balance (eq) = -3.881e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -120238,7 +118974,6 @@ N(5) 8.076e-04 NO3- 8.076e-04 7.764e-04 -3.093 -3.110 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120297,9 +119032,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.276e-18 + Total alkalinity (eq/kg) = 5.125e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.689e-16 + Electrical balance (eq) = -7.684e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -120331,7 +119066,6 @@ N(5) 8.607e-04 NO3- 8.607e-04 8.275e-04 -3.065 -3.082 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120390,7 +119124,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.467e-18 + Total alkalinity (eq/kg) = 6.031e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.091e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -120424,7 +119158,6 @@ N(5) 9.100e-04 NO3- 9.100e-04 8.749e-04 -3.041 -3.058 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120483,7 +119216,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.816e-18 + Total alkalinity (eq/kg) = 6.977e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.355e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -120517,7 +119250,6 @@ N(5) 9.546e-04 NO3- 9.546e-04 9.177e-04 -3.020 -3.037 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120576,9 +119308,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.521e-18 + Total alkalinity (eq/kg) = 8.322e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.556e-15 + Electrical balance (eq) = -1.557e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -120610,7 +119342,6 @@ N(5) 9.929e-04 NO3- 9.929e-04 9.546e-04 -3.003 -3.020 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120669,9 +119400,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.078e-17 + Total alkalinity (eq/kg) = 9.011e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.689e-15 + Electrical balance (eq) = -1.690e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -120703,7 +119434,6 @@ N(5) 1.022e-03 NO3- 1.022e-03 9.829e-04 -2.990 -3.008 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120762,9 +119492,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.135e-17 + Total alkalinity (eq/kg) = 8.820e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.756e-15 + Electrical balance (eq) = -1.757e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -120796,7 +119526,6 @@ N(5) 1.039e-03 NO3- 1.039e-03 9.985e-04 -2.984 -3.001 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120836,7 +119565,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -120867,7 +119596,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -120994,9 +119722,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.730e-19 + Total alkalinity (eq/kg) = -6.753e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.068e-16 + Electrical balance (eq) = 4.098e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -121031,7 +119759,6 @@ N(5) 3.146e-08 NO3- 3.146e-08 2.999e-08 -7.502 -7.523 -0.021 29.50 Na 1.042e-07 Na+ 1.042e-07 9.947e-08 -6.982 -7.002 -0.020 -1.46 - NaOH 9.948e-25 9.953e-25 -24.002 -24.002 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121092,9 +119819,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.797e-19 + Total alkalinity (eq/kg) = -3.977e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.068e-16 + Electrical balance (eq) = 9.087e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -121129,7 +119856,6 @@ N(5) 5.632e-08 NO3- 5.632e-08 5.369e-08 -7.249 -7.270 -0.021 29.50 Na 1.874e-07 Na+ 1.874e-07 1.789e-07 -6.727 -6.747 -0.020 -1.46 - NaOH 1.789e-24 1.790e-24 -23.747 -23.747 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121190,9 +119916,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.385e-19 + Total alkalinity (eq/kg) = -2.243e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.471e-15 + Electrical balance (eq) = 1.472e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -121227,7 +119953,6 @@ N(5) 1.091e-07 NO3- 1.091e-07 1.040e-07 -6.962 -6.983 -0.021 29.50 Na 3.655e-07 Na+ 3.655e-07 3.488e-07 -6.437 -6.457 -0.020 -1.46 - NaOH 3.489e-24 3.490e-24 -23.457 -23.457 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121288,7 +120013,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.089e-19 + Total alkalinity (eq/kg) = -8.654e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.926e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -121325,7 +120050,6 @@ N(5) 1.999e-07 NO3- 1.999e-07 1.906e-07 -6.699 -6.720 -0.021 29.50 Na 6.775e-07 Na+ 6.775e-07 6.466e-07 -6.169 -6.189 -0.020 -1.46 - NaOH 6.466e-24 6.469e-24 -23.189 -23.189 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121386,9 +120110,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.114e-18 + Total alkalinity (eq/kg) = -8.641e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.375e-15 + Electrical balance (eq) = 2.374e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -121423,7 +120147,6 @@ N(5) 3.495e-07 NO3- 3.495e-07 3.332e-07 -6.457 -6.477 -0.021 29.50 Na 1.203e-06 Na+ 1.203e-06 1.148e-06 -5.920 -5.940 -0.020 -1.46 - NaOH 1.148e-23 1.148e-23 -22.940 -22.940 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121484,7 +120207,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.169e-19 + Total alkalinity (eq/kg) = -7.888e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.861e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -121521,7 +120244,6 @@ N(5) 5.893e-07 NO3- 5.893e-07 5.618e-07 -6.230 -6.250 -0.021 29.50 Na 2.069e-06 Na+ 2.069e-06 1.975e-06 -5.684 -5.704 -0.020 -1.46 - NaOH 1.975e-23 1.976e-23 -22.704 -22.704 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121582,9 +120304,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.702e-19 + Total alkalinity (eq/kg) = 2.381e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.386e-15 + Electrical balance (eq) = 3.384e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -121619,7 +120341,6 @@ N(5) 9.643e-07 NO3- 9.643e-07 9.193e-07 -6.016 -6.037 -0.021 29.50 Na 3.470e-06 Na+ 3.470e-06 3.312e-06 -5.460 -5.480 -0.020 -1.46 - NaOH 3.312e-23 3.314e-23 -22.480 -22.480 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121680,7 +120401,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.092e-18 + Total alkalinity (eq/kg) = -6.169e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 3.963e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -121717,7 +120438,6 @@ N(5) 1.536e-06 NO3- 1.536e-06 1.465e-06 -5.814 -5.834 -0.021 29.50 Na 5.694e-06 Na+ 5.694e-06 5.435e-06 -5.245 -5.265 -0.020 -1.46 - NaOH 5.436e-23 5.438e-23 -22.265 -22.265 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121778,9 +120498,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.786e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.056e-19 + Total alkalinity (eq/kg) = 1.320e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.606e-15 + Electrical balance (eq) = 4.605e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -121815,7 +120535,6 @@ N(5) 2.389e-06 NO3- 2.389e-06 2.278e-06 -5.622 -5.642 -0.021 29.50 Na 9.169e-06 Na+ 9.169e-06 8.751e-06 -5.038 -5.058 -0.020 -1.46 - NaOH 8.753e-23 8.757e-23 -22.058 -22.058 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121876,9 +120595,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.778e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.223e-18 + Total alkalinity (eq/kg) = -5.612e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.321e-15 + Electrical balance (eq) = 5.322e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -121913,7 +120632,6 @@ N(5) 3.634e-06 NO3- 3.634e-06 3.466e-06 -5.440 -5.460 -0.021 29.50 Na 1.452e-05 Na+ 1.452e-05 1.386e-05 -4.838 -4.858 -0.020 -1.46 - NaOH 1.387e-22 1.387e-22 -21.858 -21.858 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -121974,9 +120692,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.764e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.475e-19 + Total alkalinity (eq/kg) = 4.967e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.108e-15 + Electrical balance (eq) = 6.111e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -122011,7 +120729,6 @@ N(5) 5.415e-06 NO3- 5.415e-06 5.165e-06 -5.266 -5.287 -0.021 29.50 Na 2.266e-05 Na+ 2.266e-05 2.164e-05 -4.645 -4.665 -0.020 -1.46 - NaOH 2.164e-22 2.165e-22 -21.665 -21.664 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122072,9 +120789,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.744e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.635e-19 + Total alkalinity (eq/kg) = 8.101e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.975e-15 + Electrical balance (eq) = 6.980e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -122109,7 +120826,6 @@ N(5) 7.913e-06 NO3- 7.913e-06 7.549e-06 -5.102 -5.122 -0.020 29.50 Na 3.491e-05 Na+ 3.491e-05 3.334e-05 -4.457 -4.477 -0.020 -1.46 - NaOH 3.335e-22 3.337e-22 -21.477 -21.477 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122170,9 +120886,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.714e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.936e-19 + Total alkalinity (eq/kg) = 7.353e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.945e-15 + Electrical balance (eq) = 7.952e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -122207,7 +120923,6 @@ N(5) 1.135e-05 NO3- 1.135e-05 1.083e-05 -4.945 -4.965 -0.020 29.50 Na 5.313e-05 Na+ 5.313e-05 5.075e-05 -4.275 -4.295 -0.020 -1.46 - NaOH 5.079e-22 5.081e-22 -21.294 -21.294 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122268,9 +120983,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.668e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.830e-19 + Total alkalinity (eq/kg) = 8.198e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.071e-15 + Electrical balance (eq) = 9.077e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -122305,7 +121020,6 @@ N(5) 1.600e-05 NO3- 1.600e-05 1.528e-05 -4.796 -4.816 -0.020 29.50 Na 7.995e-05 Na+ 7.995e-05 7.642e-05 -4.097 -4.117 -0.020 -1.46 - NaOH 7.651e-22 7.654e-22 -21.116 -21.116 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122366,7 +121080,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.600e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.350e-19 + Total alkalinity (eq/kg) = 1.040e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.037e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -122403,7 +121117,6 @@ N(5) 2.216e-05 NO3- 2.216e-05 2.118e-05 -4.654 -4.674 -0.020 29.50 Na 1.191e-04 Na+ 1.191e-04 1.140e-04 -3.924 -3.943 -0.019 -1.47 - NaOH 1.142e-21 1.142e-21 -20.943 -20.942 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122464,7 +121177,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.503e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.539e-19 + Total alkalinity (eq/kg) = 5.507e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.122e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -122501,7 +121214,6 @@ N(5) 3.020e-05 NO3- 3.020e-05 2.890e-05 -4.520 -4.539 -0.019 29.50 Na 1.752e-04 Na+ 1.752e-04 1.679e-04 -3.756 -3.775 -0.019 -1.47 - NaOH 1.683e-21 1.683e-21 -20.774 -20.774 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122562,9 +121274,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.375e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.704e-19 + Total alkalinity (eq/kg) = 5.581e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.111e-14 + Electrical balance (eq) = 1.112e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -122599,7 +121311,6 @@ N(5) 4.050e-05 NO3- 4.050e-05 3.884e-05 -4.393 -4.411 -0.018 29.49 Na 2.514e-04 Na+ 2.514e-04 2.413e-04 -3.600 -3.617 -0.018 -1.47 - NaOH 2.421e-21 2.422e-21 -20.616 -20.616 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122660,7 +121371,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.234e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.239e-19 + Total alkalinity (eq/kg) = 2.917e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.090e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -122697,7 +121408,6 @@ N(5) 5.348e-05 NO3- 5.348e-05 5.139e-05 -4.272 -4.289 -0.017 29.49 Na 3.453e-04 Na+ 3.453e-04 3.320e-04 -3.462 -3.479 -0.017 -1.47 - NaOH 3.335e-21 3.336e-21 -20.477 -20.477 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122758,7 +121468,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.471e-19 + Total alkalinity (eq/kg) = -3.048e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.051e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -122795,7 +121505,6 @@ N(5) 6.955e-05 NO3- 6.955e-05 6.687e-05 -4.158 -4.175 -0.017 29.49 Na 4.375e-04 Na+ 4.375e-04 4.209e-04 -3.359 -3.376 -0.017 -1.47 - NaOH 4.230e-21 4.231e-21 -20.374 -20.374 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -122856,7 +121565,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.002e-18 + Total alkalinity (eq/kg) = 3.621e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.003e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -122893,7 +121602,6 @@ N(5) 8.914e-05 NO3- 8.914e-05 8.570e-05 -4.050 -4.067 -0.017 29.49 Na 5.331e-04 Na+ 5.331e-04 5.129e-04 -3.273 -3.290 -0.017 -1.47 - NaOH 5.154e-21 5.155e-21 -20.288 -20.288 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -122954,9 +121662,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.376e-19 + Total alkalinity (eq/kg) = 1.053e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.429e-15 + Electrical balance (eq) = 9.431e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -122991,7 +121699,6 @@ N(5) 1.126e-04 NO3- 1.126e-04 1.083e-04 -3.948 -3.966 -0.017 29.49 Na 6.314e-04 Na+ 6.314e-04 6.075e-04 -3.200 -3.216 -0.017 -1.47 - NaOH 6.104e-21 6.106e-21 -20.214 -20.214 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123052,9 +121759,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.275e-19 + Total alkalinity (eq/kg) = 4.524e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.728e-15 + Electrical balance (eq) = 8.731e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -123089,7 +121796,6 @@ N(5) 1.403e-04 NO3- 1.403e-04 1.349e-04 -3.853 -3.870 -0.017 29.49 Na 7.257e-04 Na+ 7.257e-04 6.982e-04 -3.139 -3.156 -0.017 -1.47 - NaOH 7.016e-21 7.017e-21 -20.154 -20.154 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123150,9 +121856,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.576e-20 + Total alkalinity (eq/kg) = 2.856e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.957e-15 + Electrical balance (eq) = 7.961e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -123187,7 +121893,6 @@ N(5) 1.724e-04 NO3- 1.724e-04 1.657e-04 -3.764 -3.781 -0.017 29.49 Na 8.092e-04 Na+ 8.092e-04 7.785e-04 -3.092 -3.109 -0.017 -1.47 - NaOH 7.823e-21 7.825e-21 -20.107 -20.107 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123248,9 +121953,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.204e-19 + Total alkalinity (eq/kg) = 2.460e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.142e-15 + Electrical balance (eq) = 7.146e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123285,7 +121990,6 @@ N(5) 2.090e-04 NO3- 2.090e-04 2.010e-04 -3.680 -3.697 -0.017 29.49 Na 8.764e-04 Na+ 8.764e-04 8.432e-04 -3.057 -3.074 -0.017 -1.47 - NaOH 8.473e-21 8.475e-21 -20.072 -20.072 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123346,9 +122050,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.531e-19 + Total alkalinity (eq/kg) = 3.510e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.304e-15 + Electrical balance (eq) = 6.307e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123383,7 +122087,6 @@ N(5) 2.502e-04 NO3- 2.502e-04 2.405e-04 -3.602 -3.619 -0.017 29.49 Na 9.252e-04 Na+ 9.252e-04 8.901e-04 -3.034 -3.051 -0.017 -1.47 - NaOH 8.944e-21 8.946e-21 -20.048 -20.048 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123442,9 +122145,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.792e-19 + Total alkalinity (eq/kg) = 2.246e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.463e-15 + Electrical balance (eq) = 5.465e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123476,7 +122179,6 @@ N(5) 2.957e-04 NO3- 2.957e-04 2.843e-04 -3.529 -3.546 -0.017 29.49 Na 9.573e-04 Na+ 9.573e-04 9.210e-04 -3.019 -3.036 -0.017 -1.47 - NaOH 9.254e-21 9.256e-21 -20.034 -20.034 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123535,9 +122237,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.285e-19 + Total alkalinity (eq/kg) = 4.162e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.633e-15 + Electrical balance (eq) = 4.635e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123569,7 +122271,6 @@ N(5) 3.452e-04 NO3- 3.452e-04 3.319e-04 -3.462 -3.479 -0.017 29.49 Na 9.766e-04 Na+ 9.766e-04 9.396e-04 -3.010 -3.027 -0.017 -1.47 - NaOH 9.441e-21 9.444e-21 -20.025 -20.025 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123628,9 +122329,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.601e-19 + Total alkalinity (eq/kg) = 4.824e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.830e-15 + Electrical balance (eq) = 3.831e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123662,7 +122363,6 @@ N(5) 3.983e-04 NO3- 3.983e-04 3.830e-04 -3.400 -3.417 -0.017 29.49 Na 9.877e-04 Na+ 9.877e-04 9.502e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.548e-21 9.550e-21 -20.020 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123721,9 +122421,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.661e-19 + Total alkalinity (eq/kg) = 1.203e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.070e-15 + Electrical balance (eq) = 3.072e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123755,7 +122455,6 @@ N(5) 4.543e-04 NO3- 4.543e-04 4.368e-04 -3.343 -3.360 -0.017 29.49 Na 9.937e-04 Na+ 9.937e-04 9.560e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.606e-21 9.608e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123814,9 +122513,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.114e-19 + Total alkalinity (eq/kg) = 2.051e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.375e-15 + Electrical balance (eq) = 2.376e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123848,7 +122547,6 @@ N(5) 5.124e-04 NO3- 5.124e-04 4.927e-04 -3.290 -3.307 -0.017 29.49 Na 9.968e-04 Na+ 9.968e-04 9.590e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.636e-21 9.639e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -123907,9 +122605,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.531e-19 + Total alkalinity (eq/kg) = 2.366e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.744e-15 + Electrical balance (eq) = 1.746e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -123941,7 +122639,6 @@ N(5) 5.718e-04 NO3- 5.718e-04 5.498e-04 -3.243 -3.260 -0.017 29.49 Na 9.984e-04 Na+ 9.984e-04 9.606e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.651e-21 9.654e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124000,9 +122697,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.833e-18 + Total alkalinity (eq/kg) = 2.925e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-15 + Electrical balance (eq) = 1.166e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124034,7 +122731,6 @@ N(5) 6.317e-04 NO3- 6.317e-04 6.073e-04 -3.200 -3.217 -0.017 29.49 Na 9.993e-04 Na+ 9.993e-04 9.614e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.659e-21 9.662e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124093,9 +122789,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.111e-18 + Total alkalinity (eq/kg) = 3.753e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.205e-16 + Electrical balance (eq) = 6.199e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124127,7 +122823,6 @@ N(5) 6.909e-04 NO3- 6.909e-04 6.643e-04 -3.161 -3.178 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124186,9 +122881,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.790e-18 + Total alkalinity (eq/kg) = 4.111e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.185e-16 + Electrical balance (eq) = 1.184e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124220,7 +122915,6 @@ N(5) 7.487e-04 NO3- 7.487e-04 7.199e-04 -3.126 -3.143 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124279,9 +122973,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.628e-18 + Total alkalinity (eq/kg) = 4.976e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.262e-16 + Electrical balance (eq) = -3.263e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124313,7 +123007,6 @@ N(5) 8.042e-04 NO3- 8.042e-04 7.732e-04 -3.095 -3.112 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124372,9 +123065,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.113e-18 + Total alkalinity (eq/kg) = 5.727e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.079e-16 + Electrical balance (eq) = -7.081e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124406,7 +123099,6 @@ N(5) 8.566e-04 NO3- 8.566e-04 8.235e-04 -3.067 -3.084 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124465,9 +123157,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.180e-18 + Total alkalinity (eq/kg) = 6.148e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.027e-15 + Electrical balance (eq) = -1.028e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124499,7 +123191,6 @@ N(5) 9.047e-04 NO3- 9.047e-04 8.698e-04 -3.043 -3.061 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124558,9 +123249,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.896e-18 + Total alkalinity (eq/kg) = 7.335e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.285e-15 + Electrical balance (eq) = -1.286e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124592,7 +123283,6 @@ N(5) 9.468e-04 NO3- 9.468e-04 9.103e-04 -3.024 -3.041 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124651,9 +123341,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.009e-17 + Total alkalinity (eq/kg) = 7.980e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.470e-15 + Electrical balance (eq) = -1.471e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124685,7 +123375,6 @@ N(5) 9.794e-04 NO3- 9.794e-04 9.416e-04 -3.009 -3.026 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124744,9 +123433,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.018e-17 + Total alkalinity (eq/kg) = 8.693e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.568e-15 + Electrical balance (eq) = -1.570e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -124778,7 +123467,6 @@ N(5) 9.976e-04 NO3- 9.976e-04 9.591e-04 -3.001 -3.018 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124818,7 +123506,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -124849,7 +123537,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -124976,9 +123663,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.924e-19 + Total alkalinity (eq/kg) = -3.892e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.544e-16 + Electrical balance (eq) = 3.562e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125013,7 +123700,6 @@ N(5) 2.379e-08 NO3- 2.379e-08 2.268e-08 -7.624 -7.644 -0.021 29.50 Na 8.010e-08 Na+ 8.010e-08 7.644e-08 -7.096 -7.117 -0.020 -1.46 - NaOH 7.645e-25 7.648e-25 -24.117 -24.116 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125074,9 +123760,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.454e-19 + Total alkalinity (eq/kg) = -2.554e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.743e-16 + Electrical balance (eq) = 7.751e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125111,7 +123797,6 @@ N(5) 4.263e-08 NO3- 4.263e-08 4.064e-08 -7.370 -7.391 -0.021 29.50 Na 1.441e-07 Na+ 1.441e-07 1.376e-07 -6.841 -6.862 -0.020 -1.46 - NaOH 1.376e-24 1.376e-24 -23.861 -23.861 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125172,9 +123857,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.598e-20 + Total alkalinity (eq/kg) = -8.444e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.260e-15 + Electrical balance (eq) = 1.261e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125209,7 +123894,6 @@ N(5) 8.268e-08 NO3- 8.268e-08 7.882e-08 -7.083 -7.103 -0.021 29.50 Na 2.814e-07 Na+ 2.814e-07 2.685e-07 -6.551 -6.571 -0.020 -1.46 - NaOH 2.686e-24 2.687e-24 -23.571 -23.571 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125270,9 +123954,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.198e-20 + Total alkalinity (eq/kg) = -2.959e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.670e-15 + Electrical balance (eq) = 1.672e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125307,7 +123991,6 @@ N(5) 1.519e-07 NO3- 1.519e-07 1.448e-07 -6.819 -6.839 -0.021 29.50 Na 5.223e-07 Na+ 5.223e-07 4.984e-07 -6.282 -6.302 -0.020 -1.46 - NaOH 4.985e-24 4.987e-24 -23.302 -23.302 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125368,9 +124051,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.578e-20 + Total alkalinity (eq/kg) = -3.053e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.084e-15 + Electrical balance (eq) = 2.085e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125405,7 +124088,6 @@ N(5) 2.661e-07 NO3- 2.661e-07 2.536e-07 -6.575 -6.596 -0.021 29.50 Na 9.288e-07 Na+ 9.288e-07 8.863e-07 -6.032 -6.052 -0.020 -1.46 - NaOH 8.864e-24 8.868e-24 -23.052 -23.052 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125466,9 +124148,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.091e-19 + Total alkalinity (eq/kg) = -2.038e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.532e-15 + Electrical balance (eq) = 2.531e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125503,7 +124185,6 @@ N(5) 4.499e-07 NO3- 4.499e-07 4.289e-07 -6.347 -6.368 -0.021 29.50 Na 1.601e-06 Na+ 1.601e-06 1.528e-06 -5.796 -5.816 -0.020 -1.46 - NaOH 1.528e-23 1.529e-23 -22.816 -22.816 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125564,7 +124245,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.070e-18 + Total alkalinity (eq/kg) = -5.213e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.013e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -125601,7 +124282,6 @@ N(5) 7.383e-07 NO3- 7.383e-07 7.039e-07 -6.132 -6.152 -0.021 29.50 Na 2.690e-06 Na+ 2.690e-06 2.567e-06 -5.570 -5.591 -0.020 -1.46 - NaOH 2.568e-23 2.569e-23 -22.590 -22.590 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125662,9 +124342,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.322e-18 + Total alkalinity (eq/kg) = -1.696e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.540e-15 + Electrical balance (eq) = 3.537e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125699,7 +124379,6 @@ N(5) 1.180e-06 NO3- 1.180e-06 1.125e-06 -5.928 -5.949 -0.021 29.50 Na 4.424e-06 Na+ 4.424e-06 4.222e-06 -5.354 -5.374 -0.020 -1.46 - NaOH 4.223e-23 4.225e-23 -22.374 -22.374 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125760,9 +124439,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.888e-19 + Total alkalinity (eq/kg) = -1.731e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.128e-15 + Electrical balance (eq) = 4.127e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125797,7 +124476,6 @@ N(5) 1.843e-06 NO3- 1.843e-06 1.757e-06 -5.735 -5.755 -0.021 29.50 Na 7.141e-06 Na+ 7.141e-06 6.815e-06 -5.146 -5.167 -0.020 -1.46 - NaOH 6.817e-23 6.819e-23 -22.166 -22.166 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125858,7 +124536,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.316e-18 + Total alkalinity (eq/kg) = -4.831e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.777e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -125895,7 +124573,6 @@ N(5) 2.814e-06 NO3- 2.814e-06 2.684e-06 -5.551 -5.571 -0.021 29.50 Na 1.134e-05 Na+ 1.134e-05 1.082e-05 -4.945 -4.966 -0.020 -1.46 - NaOH 1.082e-22 1.083e-22 -21.966 -21.965 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -125956,9 +124633,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.159e-18 + Total alkalinity (eq/kg) = -6.681e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.499e-15 + Electrical balance (eq) = 5.500e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -125993,7 +124670,6 @@ N(5) 4.212e-06 NO3- 4.212e-06 4.017e-06 -5.375 -5.396 -0.021 29.50 Na 1.774e-05 Na+ 1.774e-05 1.694e-05 -4.751 -4.771 -0.020 -1.46 - NaOH 1.694e-22 1.695e-22 -21.771 -21.771 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126054,9 +124730,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.755e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.403e-18 + Total alkalinity (eq/kg) = -6.220e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.302e-15 + Electrical balance (eq) = 6.303e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -126091,7 +124767,6 @@ N(5) 6.185e-06 NO3- 6.185e-06 5.900e-06 -5.209 -5.229 -0.021 29.50 Na 2.740e-05 Na+ 2.740e-05 2.616e-05 -4.562 -4.582 -0.020 -1.46 - NaOH 2.618e-22 2.619e-22 -21.582 -21.582 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126152,9 +124827,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.731e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.028e-19 + Total alkalinity (eq/kg) = 3.426e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.198e-15 + Electrical balance (eq) = 7.203e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -126189,7 +124864,6 @@ N(5) 8.919e-06 NO3- 8.919e-06 8.510e-06 -5.050 -5.070 -0.020 29.50 Na 4.183e-05 Na+ 4.183e-05 3.995e-05 -4.379 -4.398 -0.020 -1.46 - NaOH 3.998e-22 3.999e-22 -21.398 -21.398 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126250,9 +124924,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.694e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.232e-19 + Total alkalinity (eq/kg) = 6.637e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.241e-15 + Electrical balance (eq) = 8.247e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -126287,7 +124961,6 @@ N(5) 1.264e-05 NO3- 1.264e-05 1.206e-05 -4.898 -4.919 -0.020 29.50 Na 6.318e-05 Na+ 6.318e-05 6.037e-05 -4.199 -4.219 -0.020 -1.46 - NaOH 6.042e-22 6.045e-22 -21.219 -21.219 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126348,9 +125021,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.638e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.535e-19 + Total alkalinity (eq/kg) = 8.085e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.488e-15 + Electrical balance (eq) = 9.492e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -126385,7 +125058,6 @@ N(5) 1.761e-05 NO3- 1.761e-05 1.682e-05 -4.754 -4.774 -0.020 29.50 Na 9.448e-05 Na+ 9.448e-05 9.034e-05 -4.025 -4.044 -0.019 -1.46 - NaOH 9.046e-22 9.050e-22 -21.044 -21.043 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126446,7 +125118,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.557e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.708e-20 + Total alkalinity (eq/kg) = 8.867e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.072e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -126483,7 +125155,6 @@ N(5) 2.414e-05 NO3- 2.414e-05 2.309e-05 -4.617 -4.637 -0.019 29.50 Na 1.396e-04 Na+ 1.396e-04 1.336e-04 -3.855 -3.874 -0.019 -1.47 - NaOH 1.339e-21 1.340e-21 -20.873 -20.873 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126544,7 +125215,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.451e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.329e-19 + Total alkalinity (eq/kg) = 1.240e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.085e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -126581,7 +125252,6 @@ N(5) 3.259e-05 NO3- 3.259e-05 3.121e-05 -4.487 -4.506 -0.019 29.50 Na 2.022e-04 Na+ 2.022e-04 1.938e-04 -3.694 -3.713 -0.018 -1.47 - NaOH 1.944e-21 1.944e-21 -20.711 -20.711 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126642,7 +125312,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.328e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.128e-19 + Total alkalinity (eq/kg) = 8.501e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.087e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -126679,7 +125349,6 @@ N(5) 4.332e-05 NO3- 4.332e-05 4.156e-05 -4.363 -4.381 -0.018 29.49 Na 2.834e-04 Na+ 2.834e-04 2.721e-04 -3.548 -3.565 -0.018 -1.47 - NaOH 2.732e-21 2.732e-21 -20.564 -20.563 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -126740,7 +125409,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.202e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.403e-19 + Total alkalinity (eq/kg) = 3.945e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.072e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -126777,7 +125446,6 @@ N(5) 5.673e-05 NO3- 5.673e-05 5.454e-05 -4.246 -4.263 -0.017 29.49 Na 3.805e-04 Na+ 3.805e-04 3.661e-04 -3.420 -3.436 -0.017 -1.47 - NaOH 3.678e-21 3.679e-21 -20.434 -20.434 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -126838,7 +125506,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.278e-19 + Total alkalinity (eq/kg) = -1.916e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.039e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -126875,7 +125543,6 @@ N(5) 7.322e-05 NO3- 7.322e-05 7.040e-05 -4.135 -4.152 -0.017 29.49 Na 4.703e-04 Na+ 4.703e-04 4.525e-04 -3.328 -3.344 -0.017 -1.47 - NaOH 4.547e-21 4.548e-21 -20.342 -20.342 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -126936,9 +125603,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.192e-19 + Total alkalinity (eq/kg) = 1.730e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.914e-15 + Electrical balance (eq) = 9.917e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -126973,7 +125640,6 @@ N(5) 9.319e-05 NO3- 9.319e-05 8.960e-05 -4.031 -4.048 -0.017 29.49 Na 5.668e-04 Na+ 5.668e-04 5.453e-04 -3.247 -3.263 -0.017 -1.47 - NaOH 5.480e-21 5.481e-21 -20.261 -20.261 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127034,9 +125700,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.168e-19 + Total alkalinity (eq/kg) = -2.924e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.328e-15 + Electrical balance (eq) = 9.332e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -127071,7 +125737,6 @@ N(5) 1.170e-04 NO3- 1.170e-04 1.125e-04 -3.932 -3.949 -0.017 29.49 Na 6.638e-04 Na+ 6.638e-04 6.386e-04 -3.178 -3.195 -0.017 -1.47 - NaOH 6.417e-21 6.419e-21 -20.193 -20.193 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127132,9 +125797,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.984e-20 + Total alkalinity (eq/kg) = -2.580e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.655e-15 + Electrical balance (eq) = 8.658e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -127169,7 +125834,6 @@ N(5) 1.449e-04 NO3- 1.449e-04 1.393e-04 -3.839 -3.856 -0.017 29.49 Na 7.546e-04 Na+ 7.546e-04 7.260e-04 -3.122 -3.139 -0.017 -1.47 - NaOH 7.295e-21 7.297e-21 -20.137 -20.137 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127230,9 +125894,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.915e-19 + Total alkalinity (eq/kg) = 2.143e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.917e-15 + Electrical balance (eq) = 7.920e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -127267,7 +125931,6 @@ N(5) 1.771e-04 NO3- 1.771e-04 1.703e-04 -3.752 -3.769 -0.017 29.49 Na 8.328e-04 Na+ 8.328e-04 8.012e-04 -3.079 -3.096 -0.017 -1.47 - NaOH 8.051e-21 8.053e-21 -20.094 -20.094 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127328,9 +125991,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.981e-19 + Total alkalinity (eq/kg) = 1.504e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.145e-15 + Electrical balance (eq) = 7.147e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -127365,7 +126028,6 @@ N(5) 2.137e-04 NO3- 2.137e-04 2.055e-04 -3.670 -3.687 -0.017 29.49 Na 8.938e-04 Na+ 8.938e-04 8.599e-04 -3.049 -3.066 -0.017 -1.47 - NaOH 8.640e-21 8.642e-21 -20.063 -20.063 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127426,9 +126088,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.946e-19 + Total alkalinity (eq/kg) = -2.612e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.353e-15 + Electrical balance (eq) = 6.356e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -127463,7 +126125,6 @@ N(5) 2.547e-04 NO3- 2.547e-04 2.449e-04 -3.594 -3.611 -0.017 29.49 Na 9.367e-04 Na+ 9.367e-04 9.012e-04 -3.028 -3.045 -0.017 -1.47 - NaOH 9.055e-21 9.057e-21 -20.043 -20.043 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127522,9 +126183,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.260e-19 + Total alkalinity (eq/kg) = 2.337e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.541e-15 + Electrical balance (eq) = 5.544e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -127556,7 +126217,6 @@ N(5) 2.999e-04 NO3- 2.999e-04 2.883e-04 -3.523 -3.540 -0.017 29.49 Na 9.642e-04 Na+ 9.642e-04 9.276e-04 -3.016 -3.033 -0.017 -1.47 - NaOH 9.321e-21 9.323e-21 -20.031 -20.030 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127615,9 +126275,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.305e-19 + Total alkalinity (eq/kg) = 3.225e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.716e-15 + Electrical balance (eq) = 4.717e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -127649,7 +126309,6 @@ N(5) 3.489e-04 NO3- 3.489e-04 3.354e-04 -3.457 -3.474 -0.017 29.49 Na 9.806e-04 Na+ 9.806e-04 9.434e-04 -3.009 -3.025 -0.017 -1.47 - NaOH 9.479e-21 9.482e-21 -20.023 -20.023 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127708,9 +126367,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.539e-19 + Total alkalinity (eq/kg) = 2.808e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.905e-15 + Electrical balance (eq) = 3.906e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -127742,7 +126401,6 @@ N(5) 4.013e-04 NO3- 4.013e-04 3.858e-04 -3.397 -3.414 -0.017 29.49 Na 9.898e-04 Na+ 9.898e-04 9.523e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.568e-21 9.571e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127801,9 +126459,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.298e-20 + Total alkalinity (eq/kg) = 1.645e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.143e-15 + Electrical balance (eq) = 3.145e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -127835,7 +126493,6 @@ N(5) 4.565e-04 NO3- 4.565e-04 4.389e-04 -3.341 -3.358 -0.017 29.49 Na 9.948e-04 Na+ 9.948e-04 9.570e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.616e-21 9.619e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127894,9 +126551,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.554e-20 + Total alkalinity (eq/kg) = 1.784e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.450e-15 + Electrical balance (eq) = 2.451e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -127928,7 +126585,6 @@ N(5) 5.138e-04 NO3- 5.138e-04 4.939e-04 -3.289 -3.306 -0.017 29.49 Na 9.974e-04 Na+ 9.974e-04 9.596e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.641e-21 9.644e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -127987,7 +126643,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.530e-19 + Total alkalinity (eq/kg) = 2.585e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.820e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -128021,7 +126677,6 @@ N(5) 5.722e-04 NO3- 5.722e-04 5.502e-04 -3.242 -3.260 -0.017 29.49 Na 9.987e-04 Na+ 9.987e-04 9.608e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.654e-21 9.657e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128080,9 +126735,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.568e-18 + Total alkalinity (eq/kg) = 3.373e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.236e-15 + Electrical balance (eq) = 1.235e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -128114,7 +126769,6 @@ N(5) 6.311e-04 NO3- 6.311e-04 6.067e-04 -3.200 -3.217 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.660e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128173,9 +126827,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.392e-18 + Total alkalinity (eq/kg) = 3.875e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.897e-16 + Electrical balance (eq) = 6.892e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -128207,7 +126861,6 @@ N(5) 6.894e-04 NO3- 6.894e-04 6.628e-04 -3.162 -3.179 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128266,9 +126919,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.788e-18 + Total alkalinity (eq/kg) = 4.852e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.868e-16 + Electrical balance (eq) = 1.876e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -128300,7 +126953,6 @@ N(5) 7.463e-04 NO3- 7.463e-04 7.175e-04 -3.127 -3.144 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128359,9 +127011,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.114e-18 + Total alkalinity (eq/kg) = 5.167e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.586e-16 + Electrical balance (eq) = -2.579e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -128393,7 +127045,6 @@ N(5) 8.008e-04 NO3- 8.008e-04 7.699e-04 -3.096 -3.114 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128452,9 +127103,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.639e-18 + Total alkalinity (eq/kg) = 5.437e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.414e-16 + Electrical balance (eq) = -6.419e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -128486,7 +127137,6 @@ N(5) 8.517e-04 NO3- 8.517e-04 8.189e-04 -3.070 -3.087 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128545,9 +127195,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.375e-18 + Total alkalinity (eq/kg) = 6.619e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.555e-16 + Electrical balance (eq) = -9.551e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -128579,7 +127229,6 @@ N(5) 8.969e-04 NO3- 8.969e-04 8.623e-04 -3.047 -3.064 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128638,7 +127287,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.126e-18 + Total alkalinity (eq/kg) = 7.284e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.185e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -128672,7 +127321,6 @@ N(5) 9.322e-04 NO3- 9.322e-04 8.963e-04 -3.030 -3.048 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128731,9 +127379,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.587e-18 + Total alkalinity (eq/kg) = 7.101e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.311e-15 + Electrical balance (eq) = -1.310e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -128765,7 +127413,6 @@ N(5) 9.521e-04 NO3- 9.521e-04 9.154e-04 -3.021 -3.038 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128805,7 +127452,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -128836,7 +127483,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -128963,9 +127609,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.665e-19 + Total alkalinity (eq/kg) = -6.807e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.050e-16 + Electrical balance (eq) = 3.056e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -129000,7 +127646,6 @@ N(5) 1.801e-08 NO3- 1.801e-08 1.717e-08 -7.745 -7.765 -0.021 29.50 Na 6.160e-08 Na+ 6.160e-08 5.878e-08 -7.210 -7.231 -0.020 -1.46 - NaOH 5.879e-25 5.881e-25 -24.231 -24.231 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129061,9 +127706,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.694e-19 + Total alkalinity (eq/kg) = 4.026e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.543e-16 + Electrical balance (eq) = 6.541e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -129098,7 +127743,6 @@ N(5) 3.231e-08 NO3- 3.231e-08 3.080e-08 -7.491 -7.511 -0.021 29.50 Na 1.109e-07 Na+ 1.109e-07 1.059e-07 -6.955 -6.975 -0.020 -1.46 - NaOH 1.059e-24 1.059e-24 -23.975 -23.975 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129159,9 +127803,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.896e-19 + Total alkalinity (eq/kg) = -1.239e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.068e-15 + Electrical balance (eq) = 1.069e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -129196,7 +127840,6 @@ N(5) 6.274e-08 NO3- 6.274e-08 5.981e-08 -7.202 -7.223 -0.021 29.50 Na 2.168e-07 Na+ 2.168e-07 2.069e-07 -6.664 -6.684 -0.020 -1.46 - NaOH 2.069e-24 2.070e-24 -23.684 -23.684 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129257,9 +127900,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.277e-19 + Total alkalinity (eq/kg) = 2.514e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.433e-15 + Electrical balance (eq) = 1.432e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -129294,7 +127937,6 @@ N(5) 1.154e-07 NO3- 1.154e-07 1.100e-07 -6.938 -6.958 -0.021 29.50 Na 4.029e-07 Na+ 4.029e-07 3.845e-07 -6.395 -6.415 -0.020 -1.46 - NaOH 3.845e-24 3.847e-24 -23.415 -23.415 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129355,7 +127997,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.397e-19 + Total alkalinity (eq/kg) = 3.181e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.808e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -129392,7 +128034,6 @@ N(5) 2.027e-07 NO3- 2.027e-07 1.932e-07 -6.693 -6.714 -0.021 29.50 Na 7.175e-07 Na+ 7.175e-07 6.847e-07 -6.144 -6.165 -0.020 -1.46 - NaOH 6.848e-24 6.850e-24 -23.164 -23.164 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129453,7 +128094,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.668e-19 + Total alkalinity (eq/kg) = -2.479e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.218e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -129490,7 +128131,6 @@ N(5) 3.436e-07 NO3- 3.436e-07 3.275e-07 -6.464 -6.485 -0.021 29.50 Na 1.239e-06 Na+ 1.239e-06 1.182e-06 -5.907 -5.927 -0.020 -1.46 - NaOH 1.182e-23 1.183e-23 -22.927 -22.927 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129551,9 +128191,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.215e-18 + Total alkalinity (eq/kg) = -4.699e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.661e-15 + Electrical balance (eq) = 2.660e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -129588,7 +128228,6 @@ N(5) 5.655e-07 NO3- 5.655e-07 5.391e-07 -6.248 -6.268 -0.021 29.50 Na 2.086e-06 Na+ 2.086e-06 1.991e-06 -5.681 -5.701 -0.020 -1.46 - NaOH 1.991e-23 1.992e-23 -22.701 -22.701 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129649,7 +128288,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.285e-18 + Total alkalinity (eq/kg) = -2.446e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.145e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -129686,7 +128325,6 @@ N(5) 9.070e-07 NO3- 9.070e-07 8.647e-07 -6.042 -6.063 -0.021 29.50 Na 3.438e-06 Na+ 3.438e-06 3.281e-06 -5.464 -5.484 -0.020 -1.46 - NaOH 3.281e-23 3.283e-23 -22.484 -22.484 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129747,7 +128385,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.075e-18 + Total alkalinity (eq/kg) = -1.008e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.682e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -129784,7 +128422,6 @@ N(5) 1.421e-06 NO3- 1.421e-06 1.355e-06 -5.847 -5.868 -0.021 29.50 Na 5.561e-06 Na+ 5.561e-06 5.308e-06 -5.255 -5.275 -0.020 -1.46 - NaOH 5.309e-23 5.311e-23 -22.275 -22.275 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129845,7 +128482,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.786e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.304e-18 + Total alkalinity (eq/kg) = 1.969e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.275e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -129882,7 +128519,6 @@ N(5) 2.179e-06 NO3- 2.179e-06 2.078e-06 -5.662 -5.682 -0.021 29.50 Na 8.852e-06 Na+ 8.852e-06 8.448e-06 -5.053 -5.073 -0.020 -1.46 - NaOH 8.450e-23 8.454e-23 -22.073 -22.073 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -129943,9 +128579,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.777e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.472e-18 + Total alkalinity (eq/kg) = 2.761e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.937e-15 + Electrical balance (eq) = 4.936e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -129980,7 +128616,6 @@ N(5) 3.275e-06 NO3- 3.275e-06 3.123e-06 -5.485 -5.505 -0.021 29.50 Na 1.389e-05 Na+ 1.389e-05 1.325e-05 -4.857 -4.878 -0.020 -1.46 - NaOH 1.326e-22 1.326e-22 -21.878 -21.877 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130041,9 +128676,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.764e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.613e-18 + Total alkalinity (eq/kg) = -3.833e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.677e-15 + Electrical balance (eq) = 5.679e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -130078,7 +128713,6 @@ N(5) 4.831e-06 NO3- 4.831e-06 4.608e-06 -5.316 -5.337 -0.021 29.50 Na 2.150e-05 Na+ 2.150e-05 2.053e-05 -4.667 -4.688 -0.020 -1.46 - NaOH 2.054e-22 2.055e-22 -21.687 -21.687 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130139,9 +128773,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.745e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.050e-18 + Total alkalinity (eq/kg) = 1.906e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.503e-15 + Electrical balance (eq) = 6.507e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -130176,7 +128810,6 @@ N(5) 7.000e-06 NO3- 7.000e-06 6.678e-06 -5.155 -5.175 -0.020 29.50 Na 3.292e-05 Na+ 3.292e-05 3.143e-05 -4.483 -4.503 -0.020 -1.46 - NaOH 3.145e-22 3.146e-22 -21.502 -21.502 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130237,9 +128870,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.715e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.870e-18 + Total alkalinity (eq/kg) = 3.609e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.449e-15 + Electrical balance (eq) = 7.455e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -130274,7 +128907,6 @@ N(5) 9.971e-06 NO3- 9.971e-06 9.516e-06 -5.001 -5.022 -0.020 29.50 Na 4.985e-05 Na+ 4.985e-05 4.762e-05 -4.302 -4.322 -0.020 -1.46 - NaOH 4.765e-22 4.767e-22 -21.322 -21.322 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130335,9 +128967,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.670e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.495e-18 + Total alkalinity (eq/kg) = 1.090e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.567e-15 + Electrical balance (eq) = 8.576e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -130372,7 +129004,6 @@ N(5) 1.397e-05 NO3- 1.397e-05 1.334e-05 -4.855 -4.875 -0.020 29.50 Na 7.474e-05 Na+ 7.474e-05 7.144e-05 -4.126 -4.146 -0.020 -1.46 - NaOH 7.151e-22 7.154e-22 -21.146 -21.145 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130433,9 +129064,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.603e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.926e-19 + Total alkalinity (eq/kg) = 7.043e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.912e-15 + Electrical balance (eq) = 9.917e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -130470,7 +129101,6 @@ N(5) 1.927e-05 NO3- 1.927e-05 1.841e-05 -4.715 -4.735 -0.020 29.50 Na 1.111e-04 Na+ 1.111e-04 1.063e-04 -3.954 -3.974 -0.019 -1.47 - NaOH 1.064e-21 1.065e-21 -20.973 -20.973 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130531,9 +129161,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.508e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.648e-20 + Total alkalinity (eq/kg) = 1.109e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.094e-14 + Electrical balance (eq) = 1.095e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -130568,7 +129198,6 @@ N(5) 2.616e-05 NO3- 2.616e-05 2.504e-05 -4.582 -4.601 -0.019 29.50 Na 1.632e-04 Na+ 1.632e-04 1.563e-04 -3.787 -3.806 -0.019 -1.47 - NaOH 1.567e-21 1.568e-21 -20.805 -20.805 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130629,9 +129258,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.381e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.463e-19 + Total alkalinity (eq/kg) = 1.228e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.097e-14 + Electrical balance (eq) = 1.098e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -130666,7 +129295,6 @@ N(5) 3.499e-05 NO3- 3.499e-05 3.355e-05 -4.456 -4.474 -0.018 29.49 Na 2.342e-04 Na+ 2.342e-04 2.247e-04 -3.630 -3.648 -0.018 -1.47 - NaOH 2.255e-21 2.255e-21 -20.647 -20.647 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130727,7 +129355,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.245e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.427e-19 + Total alkalinity (eq/kg) = 7.717e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.078e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -130764,7 +129392,6 @@ N(5) 4.613e-05 NO3- 4.613e-05 4.432e-05 -4.336 -4.353 -0.017 29.49 Na 3.217e-04 Na+ 3.217e-04 3.093e-04 -3.493 -3.510 -0.017 -1.47 - NaOH 3.107e-21 3.108e-21 -20.508 -20.508 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -130825,7 +129452,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.145e-18 + Total alkalinity (eq/kg) = 6.770e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.057e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -130862,7 +129489,6 @@ N(5) 5.996e-05 NO3- 5.996e-05 5.765e-05 -4.222 -4.239 -0.017 29.49 Na 4.111e-04 Na+ 4.111e-04 3.955e-04 -3.386 -3.403 -0.017 -1.47 - NaOH 3.974e-21 3.975e-21 -20.401 -20.401 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -130923,7 +129549,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.007e-19 + Total alkalinity (eq/kg) = 1.581e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.024e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -130960,7 +129586,6 @@ N(5) 7.685e-05 NO3- 7.685e-05 7.389e-05 -4.114 -4.131 -0.017 29.49 Na 5.034e-04 Na+ 5.034e-04 4.843e-04 -3.298 -3.315 -0.017 -1.47 - NaOH 4.867e-21 4.868e-21 -20.313 -20.313 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -131021,9 +129646,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.077e-19 + Total alkalinity (eq/kg) = 1.255e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.795e-15 + Electrical balance (eq) = 9.798e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -131058,7 +129683,6 @@ N(5) 9.718e-05 NO3- 9.718e-05 9.343e-05 -4.012 -4.030 -0.017 29.49 Na 6.001e-04 Na+ 6.001e-04 5.773e-04 -3.222 -3.239 -0.017 -1.47 - NaOH 5.801e-21 5.803e-21 -20.236 -20.236 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131119,9 +129743,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.897e-19 + Total alkalinity (eq/kg) = -2.354e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.236e-15 + Electrical balance (eq) = 9.239e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -131156,7 +129780,6 @@ N(5) 1.213e-04 NO3- 1.213e-04 1.166e-04 -3.916 -3.933 -0.017 29.49 Na 6.951e-04 Na+ 6.951e-04 6.687e-04 -3.158 -3.175 -0.017 -1.47 - NaOH 6.720e-21 6.722e-21 -20.173 -20.173 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131217,9 +129840,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.245e-20 + Total alkalinity (eq/kg) = 2.495e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.589e-15 + Electrical balance (eq) = 8.592e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -131254,7 +129877,6 @@ N(5) 1.494e-04 NO3- 1.494e-04 1.436e-04 -3.826 -3.843 -0.017 29.49 Na 7.818e-04 Na+ 7.818e-04 7.522e-04 -3.107 -3.124 -0.017 -1.47 - NaOH 7.558e-21 7.560e-21 -20.122 -20.121 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131315,9 +129937,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.684e-19 + Total alkalinity (eq/kg) = -1.698e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.879e-15 + Electrical balance (eq) = 7.882e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -131352,7 +129974,6 @@ N(5) 1.817e-04 NO3- 1.817e-04 1.747e-04 -3.741 -3.758 -0.017 29.49 Na 8.543e-04 Na+ 8.543e-04 8.219e-04 -3.068 -3.085 -0.017 -1.47 - NaOH 8.259e-21 8.261e-21 -20.083 -20.083 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131413,9 +130034,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.364e-19 + Total alkalinity (eq/kg) = -2.553e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.128e-15 + Electrical balance (eq) = 7.131e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -131450,7 +130071,6 @@ N(5) 2.182e-04 NO3- 2.182e-04 2.098e-04 -3.661 -3.678 -0.017 29.49 Na 9.091e-04 Na+ 9.091e-04 8.746e-04 -3.041 -3.058 -0.017 -1.47 - NaOH 8.788e-21 8.791e-21 -20.056 -20.056 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131509,9 +130129,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.425e-19 + Total alkalinity (eq/kg) = -1.606e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.352e-15 + Electrical balance (eq) = 6.354e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -131543,7 +130163,6 @@ N(5) 2.590e-04 NO3- 2.590e-04 2.490e-04 -3.587 -3.604 -0.017 29.49 Na 9.466e-04 Na+ 9.466e-04 9.107e-04 -3.024 -3.041 -0.017 -1.47 - NaOH 9.151e-21 9.153e-21 -20.039 -20.038 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131602,9 +130221,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.827e-19 + Total alkalinity (eq/kg) = 2.119e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.555e-15 + Electrical balance (eq) = 5.557e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -131636,7 +130255,6 @@ N(5) 3.039e-04 NO3- 3.039e-04 2.921e-04 -3.517 -3.534 -0.017 29.49 Na 9.701e-04 Na+ 9.701e-04 9.333e-04 -3.013 -3.030 -0.017 -1.47 - NaOH 9.378e-21 9.380e-21 -20.028 -20.028 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131695,9 +130313,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.486e-19 + Total alkalinity (eq/kg) = 7.385e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.750e-15 + Electrical balance (eq) = 4.751e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -131729,7 +130347,6 @@ N(5) 3.524e-04 NO3- 3.524e-04 3.388e-04 -3.453 -3.470 -0.017 29.49 Na 9.838e-04 Na+ 9.838e-04 9.465e-04 -3.007 -3.024 -0.017 -1.47 - NaOH 9.511e-21 9.513e-21 -20.022 -20.022 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131788,9 +130405,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.667e-19 + Total alkalinity (eq/kg) = 6.897e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.961e-15 + Electrical balance (eq) = 3.962e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -131822,7 +130439,6 @@ N(5) 4.042e-04 NO3- 4.042e-04 3.886e-04 -3.393 -3.411 -0.017 29.49 Na 9.915e-04 Na+ 9.915e-04 9.539e-04 -3.004 -3.020 -0.017 -1.47 - NaOH 9.585e-21 9.587e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131881,9 +130497,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.924e-19 + Total alkalinity (eq/kg) = 7.718e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.212e-15 + Electrical balance (eq) = 3.213e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -131915,7 +130531,6 @@ N(5) 4.586e-04 NO3- 4.586e-04 4.409e-04 -3.339 -3.356 -0.017 29.49 Na 9.957e-04 Na+ 9.957e-04 9.579e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.625e-21 9.627e-21 -20.017 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -131974,7 +130589,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.592e-19 + Total alkalinity (eq/kg) = 1.659e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 2.518e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -132008,7 +130623,6 @@ N(5) 5.150e-04 NO3- 5.150e-04 4.952e-04 -3.288 -3.305 -0.017 29.49 Na 9.978e-04 Na+ 9.978e-04 9.600e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.646e-21 9.648e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132067,7 +130681,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.131e-19 + Total alkalinity (eq/kg) = 2.739e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.881e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -132101,7 +130715,6 @@ N(5) 5.726e-04 NO3- 5.726e-04 5.505e-04 -3.242 -3.259 -0.017 29.49 Na 9.989e-04 Na+ 9.989e-04 9.611e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.656e-21 9.659e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132160,7 +130773,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.837e-18 + Total alkalinity (eq/kg) = 3.335e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.294e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -132194,7 +130807,6 @@ N(5) 6.305e-04 NO3- 6.305e-04 6.062e-04 -3.200 -3.217 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132253,9 +130865,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.749e-18 + Total alkalinity (eq/kg) = 4.202e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.488e-16 + Electrical balance (eq) = 7.486e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -132287,7 +130899,6 @@ N(5) 6.879e-04 NO3- 6.879e-04 6.613e-04 -3.162 -3.180 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132346,9 +130957,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.147e-18 + Total alkalinity (eq/kg) = 4.697e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.506e-16 + Electrical balance (eq) = 2.500e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -132380,7 +130991,6 @@ N(5) 7.437e-04 NO3- 7.437e-04 7.150e-04 -3.129 -3.146 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132439,9 +131049,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.660e-18 + Total alkalinity (eq/kg) = 5.248e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.899e-16 + Electrical balance (eq) = -1.911e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -132473,7 +131083,6 @@ N(5) 7.965e-04 NO3- 7.965e-04 7.658e-04 -3.099 -3.116 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132532,9 +131141,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.092e-18 + Total alkalinity (eq/kg) = 5.797e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.601e-16 + Electrical balance (eq) = -5.621e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -132566,7 +131175,6 @@ N(5) 8.440e-04 NO3- 8.440e-04 8.115e-04 -3.074 -3.091 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132625,9 +131233,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.513e-18 + Total alkalinity (eq/kg) = 6.163e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.366e-16 + Electrical balance (eq) = -8.376e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -132659,7 +131267,6 @@ N(5) 8.816e-04 NO3- 8.816e-04 8.476e-04 -3.055 -3.072 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132718,9 +131325,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.566e-18 + Total alkalinity (eq/kg) = 6.106e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.865e-16 + Electrical balance (eq) = -9.883e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -132752,7 +131359,6 @@ N(5) 9.028e-04 NO3- 9.028e-04 8.680e-04 -3.044 -3.061 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132792,7 +131398,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -132823,7 +131429,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -132950,9 +131555,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.369e-19 + Total alkalinity (eq/kg) = 7.668e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.596e-16 + Electrical balance (eq) = 2.583e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -132987,7 +131592,6 @@ N(5) 1.364e-08 NO3- 1.364e-08 1.301e-08 -7.865 -7.886 -0.021 29.50 Na 4.740e-08 Na+ 4.740e-08 4.523e-08 -7.324 -7.345 -0.020 -1.46 - NaOH 4.524e-25 4.526e-25 -24.344 -24.344 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133048,9 +131652,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.021e-19 + Total alkalinity (eq/kg) = 9.440e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.474e-16 + Electrical balance (eq) = 5.470e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -133085,7 +131689,6 @@ N(5) 2.450e-08 NO3- 2.450e-08 2.336e-08 -7.611 -7.632 -0.021 29.50 Na 8.542e-08 Na+ 8.542e-08 8.152e-08 -7.068 -7.089 -0.020 -1.46 - NaOH 8.153e-25 8.156e-25 -24.089 -24.089 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133146,9 +131749,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.879e-19 + Total alkalinity (eq/kg) = 3.319e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.987e-16 + Electrical balance (eq) = 8.993e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -133183,7 +131786,6 @@ N(5) 4.765e-08 NO3- 4.765e-08 4.542e-08 -7.322 -7.343 -0.021 29.50 Na 1.671e-07 Na+ 1.671e-07 1.595e-07 -6.777 -6.797 -0.020 -1.46 - NaOH 1.595e-24 1.595e-24 -23.797 -23.797 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133244,9 +131846,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.517e-19 + Total alkalinity (eq/kg) = -4.693e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.216e-15 + Electrical balance (eq) = 1.218e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -133281,7 +131883,6 @@ N(5) 8.782e-08 NO3- 8.782e-08 8.372e-08 -7.056 -7.077 -0.021 29.50 Na 3.109e-07 Na+ 3.109e-07 2.967e-07 -6.507 -6.528 -0.020 -1.46 - NaOH 2.967e-24 2.969e-24 -23.528 -23.527 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133342,9 +131943,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.983e-19 + Total alkalinity (eq/kg) = 8.862e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.551e-15 + Electrical balance (eq) = 1.552e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -133379,7 +131980,6 @@ N(5) 1.545e-07 NO3- 1.545e-07 1.473e-07 -6.811 -6.832 -0.021 29.50 Na 5.545e-07 Na+ 5.545e-07 5.292e-07 -6.256 -6.276 -0.020 -1.46 - NaOH 5.292e-24 5.295e-24 -23.276 -23.276 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133440,7 +132040,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.077e-19 + Total alkalinity (eq/kg) = 1.942e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.924e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -133477,7 +132077,6 @@ N(5) 2.625e-07 NO3- 2.625e-07 2.503e-07 -6.581 -6.602 -0.021 29.50 Na 9.591e-07 Na+ 9.591e-07 9.152e-07 -6.018 -6.038 -0.020 -1.46 - NaOH 9.154e-24 9.157e-24 -23.038 -23.038 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133538,7 +132137,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.271e-19 + Total alkalinity (eq/kg) = -1.407e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.328e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -133575,7 +132174,6 @@ N(5) 4.333e-07 NO3- 4.333e-07 4.131e-07 -6.363 -6.384 -0.021 29.50 Na 1.618e-06 Na+ 1.618e-06 1.544e-06 -5.791 -5.811 -0.020 -1.46 - NaOH 1.544e-23 1.545e-23 -22.811 -22.811 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133636,7 +132234,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.791e-19 + Total alkalinity (eq/kg) = 2.055e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 2.774e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -133673,7 +132271,6 @@ N(5) 6.970e-07 NO3- 6.970e-07 6.645e-07 -6.157 -6.177 -0.021 29.50 Na 2.672e-06 Na+ 2.672e-06 2.550e-06 -5.573 -5.594 -0.020 -1.46 - NaOH 2.550e-23 2.551e-23 -22.593 -22.593 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133734,7 +132331,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.289e-19 + Total alkalinity (eq/kg) = -7.028e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 3.267e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -133771,7 +132368,6 @@ N(5) 1.096e-06 NO3- 1.096e-06 1.045e-06 -5.960 -5.981 -0.021 29.50 Na 4.332e-06 Na+ 4.332e-06 4.134e-06 -5.363 -5.384 -0.020 -1.46 - NaOH 4.135e-23 4.136e-23 -22.384 -22.383 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133832,7 +132428,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.143e-19 + Total alkalinity (eq/kg) = 5.770e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.812e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -133869,7 +132465,6 @@ N(5) 1.687e-06 NO3- 1.687e-06 1.608e-06 -5.773 -5.794 -0.021 29.50 Na 6.910e-06 Na+ 6.910e-06 6.595e-06 -5.161 -5.181 -0.020 -1.46 - NaOH 6.596e-23 6.599e-23 -22.181 -22.181 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -133930,7 +132525,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.064e-18 + Total alkalinity (eq/kg) = -2.177e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.420e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -133967,7 +132562,6 @@ N(5) 2.545e-06 NO3- 2.545e-06 2.427e-06 -5.594 -5.615 -0.021 29.50 Na 1.087e-05 Na+ 1.087e-05 1.037e-05 -4.964 -4.984 -0.020 -1.46 - NaOH 1.037e-22 1.038e-22 -21.984 -21.984 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134028,7 +132622,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.488e-18 + Total alkalinity (eq/kg) = 3.104e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.097e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -134065,7 +132659,6 @@ N(5) 3.771e-06 NO3- 3.771e-06 3.596e-06 -5.424 -5.444 -0.021 29.50 Na 1.687e-05 Na+ 1.687e-05 1.610e-05 -4.773 -4.793 -0.020 -1.46 - NaOH 1.611e-22 1.612e-22 -21.793 -21.793 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134126,9 +132719,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.756e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.090e-18 + Total alkalinity (eq/kg) = 5.894e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.857e-15 + Electrical balance (eq) = 5.860e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -134163,7 +132756,6 @@ N(5) 5.489e-06 NO3- 5.489e-06 5.236e-06 -5.260 -5.281 -0.021 29.50 Na 2.589e-05 Na+ 2.589e-05 2.472e-05 -4.587 -4.607 -0.020 -1.46 - NaOH 2.473e-22 2.474e-22 -21.607 -21.607 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134224,9 +132816,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.731e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.840e-19 + Total alkalinity (eq/kg) = 8.069e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.726e-15 + Electrical balance (eq) = 6.731e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -134261,7 +132853,6 @@ N(5) 7.858e-06 NO3- 7.858e-06 7.497e-06 -5.105 -5.125 -0.020 29.50 Na 3.931e-05 Na+ 3.931e-05 3.755e-05 -4.405 -4.425 -0.020 -1.46 - NaOH 3.757e-22 3.759e-22 -21.425 -21.425 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134322,9 +132913,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.695e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.384e-19 + Total alkalinity (eq/kg) = 7.250e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.750e-15 + Electrical balance (eq) = 7.759e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -134359,7 +132950,6 @@ N(5) 1.107e-05 NO3- 1.107e-05 1.056e-05 -4.956 -4.976 -0.020 29.50 Na 5.914e-05 Na+ 5.914e-05 5.651e-05 -4.228 -4.248 -0.020 -1.46 - NaOH 5.656e-22 5.658e-22 -21.247 -21.247 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134420,9 +133010,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.640e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.459e-19 + Total alkalinity (eq/kg) = 1.064e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.988e-15 + Electrical balance (eq) = 8.994e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -134457,7 +133047,6 @@ N(5) 1.535e-05 NO3- 1.535e-05 1.466e-05 -4.814 -4.834 -0.020 29.50 Na 8.817e-05 Na+ 8.817e-05 8.431e-05 -4.055 -4.074 -0.019 -1.46 - NaOH 8.442e-22 8.445e-22 -21.074 -21.073 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134518,7 +133107,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.124e-19 + Total alkalinity (eq/kg) = 1.281e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.024e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -134555,7 +133144,6 @@ N(5) 2.096e-05 NO3- 2.096e-05 2.004e-05 -4.679 -4.698 -0.019 29.50 Na 1.300e-04 Na+ 1.300e-04 1.244e-04 -3.886 -3.905 -0.019 -1.47 - NaOH 1.247e-21 1.247e-21 -20.904 -20.904 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134616,9 +133204,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.457e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.332e-19 + Total alkalinity (eq/kg) = 1.431e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.058e-14 + Electrical balance (eq) = 1.059e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -134653,7 +133241,6 @@ N(5) 2.821e-05 NO3- 2.821e-05 2.701e-05 -4.550 -4.568 -0.019 29.50 Na 1.883e-04 Na+ 1.883e-04 1.805e-04 -3.725 -3.744 -0.018 -1.47 - NaOH 1.810e-21 1.810e-21 -20.742 -20.742 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134714,7 +133301,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.333e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.909e-19 + Total alkalinity (eq/kg) = 1.077e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.069e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -134751,7 +133338,6 @@ N(5) 3.742e-05 NO3- 3.742e-05 3.590e-05 -4.427 -4.445 -0.018 29.49 Na 2.645e-04 Na+ 2.645e-04 2.540e-04 -3.578 -3.595 -0.018 -1.47 - NaOH 2.549e-21 2.550e-21 -20.594 -20.593 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -134812,9 +133398,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.203e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.987e-19 + Total alkalinity (eq/kg) = 1.109e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.066e-14 + Electrical balance (eq) = 1.067e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -134849,7 +133435,6 @@ N(5) 4.895e-05 NO3- 4.895e-05 4.706e-05 -4.310 -4.327 -0.017 29.49 Na 3.567e-04 Na+ 3.567e-04 3.432e-04 -3.448 -3.464 -0.017 -1.47 - NaOH 3.448e-21 3.449e-21 -20.462 -20.462 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -134910,7 +133495,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.006e-18 + Total alkalinity (eq/kg) = 9.448e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.046e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -134947,7 +133532,6 @@ N(5) 6.317e-05 NO3- 6.317e-05 6.074e-05 -4.199 -4.217 -0.017 29.49 Na 4.428e-04 Na+ 4.428e-04 4.260e-04 -3.354 -3.371 -0.017 -1.47 - NaOH 4.281e-21 4.282e-21 -20.368 -20.368 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -135008,9 +133592,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.396e-19 + Total alkalinity (eq/kg) = 1.079e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.012e-14 + Electrical balance (eq) = 1.013e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -135045,7 +133629,6 @@ N(5) 8.044e-05 NO3- 8.044e-05 7.734e-05 -4.095 -4.112 -0.017 29.49 Na 5.366e-04 Na+ 5.366e-04 5.163e-04 -3.270 -3.287 -0.017 -1.47 - NaOH 5.187e-21 5.189e-21 -20.285 -20.285 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -135106,9 +133689,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.028e-19 + Total alkalinity (eq/kg) = 6.886e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.682e-15 + Electrical balance (eq) = 9.686e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -135143,7 +133726,6 @@ N(5) 1.011e-04 NO3- 1.011e-04 9.720e-05 -3.995 -4.012 -0.017 29.49 Na 6.327e-04 Na+ 6.327e-04 6.088e-04 -3.199 -3.216 -0.017 -1.47 - NaOH 6.117e-21 6.119e-21 -20.213 -20.213 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135204,9 +133786,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.482e-19 + Total alkalinity (eq/kg) = -2.745e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.144e-15 + Electrical balance (eq) = 9.149e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -135241,7 +133823,6 @@ N(5) 1.254e-04 NO3- 1.254e-04 1.206e-04 -3.902 -3.919 -0.017 29.49 Na 7.251e-04 Na+ 7.251e-04 6.976e-04 -3.140 -3.156 -0.017 -1.47 - NaOH 7.010e-21 7.012e-21 -20.154 -20.154 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135302,9 +133883,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.766e-20 + Total alkalinity (eq/kg) = -2.643e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.522e-15 + Electrical balance (eq) = 8.526e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -135339,7 +133920,6 @@ N(5) 1.537e-04 NO3- 1.537e-04 1.478e-04 -3.813 -3.830 -0.017 29.49 Na 8.073e-04 Na+ 8.073e-04 7.766e-04 -3.093 -3.110 -0.017 -1.47 - NaOH 7.804e-21 7.806e-21 -20.108 -20.108 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135400,9 +133980,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.995e-19 + Total alkalinity (eq/kg) = 7.609e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.834e-15 + Electrical balance (eq) = 7.837e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -135437,7 +134017,6 @@ N(5) 1.861e-04 NO3- 1.861e-04 1.789e-04 -3.730 -3.747 -0.017 29.49 Na 8.738e-04 Na+ 8.738e-04 8.407e-04 -3.059 -3.075 -0.017 -1.47 - NaOH 8.447e-21 8.449e-21 -20.073 -20.073 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135498,9 +134077,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.986e-19 + Total alkalinity (eq/kg) = -6.576e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.102e-15 + Electrical balance (eq) = 7.104e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -135535,7 +134114,6 @@ N(5) 2.226e-04 NO3- 2.226e-04 2.140e-04 -3.652 -3.670 -0.017 29.49 Na 9.226e-04 Na+ 9.226e-04 8.876e-04 -3.035 -3.052 -0.017 -1.47 - NaOH 8.919e-21 8.921e-21 -20.050 -20.050 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135594,9 +134172,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.313e-19 + Total alkalinity (eq/kg) = 2.564e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.338e-15 + Electrical balance (eq) = 6.340e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -135628,7 +134206,6 @@ N(5) 2.632e-04 NO3- 2.632e-04 2.531e-04 -3.580 -3.597 -0.017 29.49 Na 9.551e-04 Na+ 9.551e-04 9.189e-04 -3.020 -3.037 -0.017 -1.47 - NaOH 9.233e-21 9.235e-21 -20.035 -20.035 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135687,9 +134264,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.399e-19 + Total alkalinity (eq/kg) = 2.807e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.557e-15 + Electrical balance (eq) = 5.559e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -135721,7 +134298,6 @@ N(5) 3.077e-04 NO3- 3.077e-04 2.958e-04 -3.512 -3.529 -0.017 29.49 Na 9.750e-04 Na+ 9.750e-04 9.381e-04 -3.011 -3.028 -0.017 -1.47 - NaOH 9.426e-21 9.428e-21 -20.026 -20.026 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135780,9 +134356,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.842e-19 + Total alkalinity (eq/kg) = 4.288e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.771e-15 + Electrical balance (eq) = 4.773e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -135814,7 +134390,6 @@ N(5) 3.558e-04 NO3- 3.558e-04 3.420e-04 -3.449 -3.466 -0.017 29.49 Na 9.866e-04 Na+ 9.866e-04 9.492e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.537e-21 9.540e-21 -20.021 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135873,9 +134448,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.456e-19 + Total alkalinity (eq/kg) = 5.043e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.003e-15 + Electrical balance (eq) = 4.004e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -135907,7 +134482,6 @@ N(5) 4.069e-04 NO3- 4.069e-04 3.912e-04 -3.390 -3.408 -0.017 29.49 Na 9.930e-04 Na+ 9.930e-04 9.553e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.599e-21 9.602e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -135966,7 +134540,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.784e-19 + Total alkalinity (eq/kg) = 6.492e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.267e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -136000,7 +134574,6 @@ N(5) 4.607e-04 NO3- 4.607e-04 4.429e-04 -3.337 -3.354 -0.017 29.49 Na 9.964e-04 Na+ 9.964e-04 9.586e-04 -3.002 -3.018 -0.017 -1.47 - NaOH 9.632e-21 9.635e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136059,9 +134632,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.657e-19 + Total alkalinity (eq/kg) = 1.532e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.579e-15 + Electrical balance (eq) = 2.577e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136093,7 +134666,6 @@ N(5) 5.162e-04 NO3- 5.162e-04 4.963e-04 -3.287 -3.304 -0.017 29.49 Na 9.982e-04 Na+ 9.982e-04 9.603e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.649e-21 9.652e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136152,9 +134724,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.130e-18 + Total alkalinity (eq/kg) = 2.342e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.939e-15 + Electrical balance (eq) = 1.937e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136186,7 +134758,6 @@ N(5) 5.729e-04 NO3- 5.729e-04 5.508e-04 -3.242 -3.259 -0.017 29.49 Na 9.991e-04 Na+ 9.991e-04 9.612e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.658e-21 9.661e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136245,9 +134816,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.460e-18 + Total alkalinity (eq/kg) = 3.570e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.349e-15 + Electrical balance (eq) = 1.348e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136279,7 +134850,6 @@ N(5) 6.299e-04 NO3- 6.299e-04 6.056e-04 -3.201 -3.218 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136338,9 +134908,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.076e-18 + Total alkalinity (eq/kg) = 4.402e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.066e-16 + Electrical balance (eq) = 8.051e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136372,7 +134942,6 @@ N(5) 6.861e-04 NO3- 6.861e-04 6.596e-04 -3.164 -3.181 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136431,9 +135000,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.117e-18 + Total alkalinity (eq/kg) = 4.748e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.165e-16 + Electrical balance (eq) = 3.149e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136465,7 +135034,6 @@ N(5) 7.400e-04 NO3- 7.400e-04 7.115e-04 -3.131 -3.148 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136524,9 +135092,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.543e-18 + Total alkalinity (eq/kg) = 5.409e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.038e-16 + Electrical balance (eq) = -1.054e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136558,7 +135126,6 @@ N(5) 7.891e-04 NO3- 7.891e-04 7.587e-04 -3.103 -3.120 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136617,9 +135184,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.519e-18 + Total alkalinity (eq/kg) = 5.808e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.237e-16 + Electrical balance (eq) = -4.253e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136651,7 +135218,6 @@ N(5) 8.282e-04 NO3- 8.282e-04 7.963e-04 -3.082 -3.099 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136710,9 +135276,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.483e-18 + Total alkalinity (eq/kg) = 6.103e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.006e-16 + Electrical balance (eq) = -6.023e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136744,7 +135310,6 @@ N(5) 8.505e-04 NO3- 8.505e-04 8.177e-04 -3.070 -3.087 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136784,7 +135349,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -136815,7 +135380,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -136942,9 +135506,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.321e-19 + Total alkalinity (eq/kg) = 9.984e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.192e-16 + Electrical balance (eq) = 2.183e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -136979,7 +135543,6 @@ N(5) 1.035e-08 NO3- 1.035e-08 9.864e-09 -7.985 -8.006 -0.021 29.50 Na 3.650e-08 Na+ 3.650e-08 3.483e-08 -7.438 -7.458 -0.020 -1.46 - NaOH 3.484e-25 3.485e-25 -24.458 -24.458 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137040,9 +135603,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.776e-19 + Total alkalinity (eq/kg) = 3.359e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.565e-16 + Electrical balance (eq) = 4.557e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -137077,7 +135640,6 @@ N(5) 1.860e-08 NO3- 1.860e-08 1.773e-08 -7.731 -7.751 -0.021 29.50 Na 6.582e-08 Na+ 6.582e-08 6.281e-08 -7.182 -7.202 -0.020 -1.46 - NaOH 6.282e-25 6.285e-25 -24.202 -24.202 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137138,9 +135700,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.287e-19 + Total alkalinity (eq/kg) = 4.839e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.506e-16 + Electrical balance (eq) = 7.513e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -137175,7 +135737,6 @@ N(5) 3.621e-08 NO3- 3.621e-08 3.452e-08 -7.441 -7.462 -0.021 29.50 Na 1.289e-07 Na+ 1.289e-07 1.230e-07 -6.890 -6.910 -0.020 -1.46 - NaOH 1.230e-24 1.230e-24 -23.910 -23.910 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137236,7 +135797,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.765e-19 + Total alkalinity (eq/kg) = 1.565e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.026e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -137273,7 +135834,6 @@ N(5) 6.685e-08 NO3- 6.685e-08 6.373e-08 -7.175 -7.196 -0.021 29.50 Na 2.401e-07 Na+ 2.401e-07 2.291e-07 -6.620 -6.640 -0.020 -1.46 - NaOH 2.291e-24 2.292e-24 -23.640 -23.640 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137334,7 +135894,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.784e-19 + Total alkalinity (eq/kg) = 2.344e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.322e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -137371,7 +135931,6 @@ N(5) 1.178e-07 NO3- 1.178e-07 1.123e-07 -6.929 -6.949 -0.021 29.50 Na 4.288e-07 Na+ 4.288e-07 4.092e-07 -6.368 -6.388 -0.020 -1.46 - NaOH 4.092e-24 4.094e-24 -23.388 -23.388 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137432,7 +135991,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.935e-19 + Total alkalinity (eq/kg) = 4.161e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.655e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -137469,7 +136028,6 @@ N(5) 2.007e-07 NO3- 2.007e-07 1.913e-07 -6.697 -6.718 -0.021 29.50 Na 7.428e-07 Na+ 7.428e-07 7.088e-07 -6.129 -6.149 -0.020 -1.46 - NaOH 7.089e-24 7.092e-24 -23.149 -23.149 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137530,9 +136088,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.064e-19 + Total alkalinity (eq/kg) = -1.955e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.021e-15 + Electrical balance (eq) = 2.022e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -137567,7 +136125,6 @@ N(5) 3.321e-07 NO3- 3.321e-07 3.166e-07 -6.479 -6.499 -0.021 29.50 Na 1.255e-06 Na+ 1.255e-06 1.198e-06 -5.901 -5.922 -0.020 -1.46 - NaOH 1.198e-23 1.198e-23 -22.922 -22.921 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137628,7 +136185,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.926e-19 + Total alkalinity (eq/kg) = -3.995e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.428e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -137665,7 +136222,6 @@ N(5) 5.358e-07 NO3- 5.358e-07 5.108e-07 -6.271 -6.292 -0.021 29.50 Na 2.077e-06 Na+ 2.077e-06 1.982e-06 -5.683 -5.703 -0.020 -1.46 - NaOH 1.982e-23 1.983e-23 -22.703 -22.703 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137726,9 +136282,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.906e-19 + Total alkalinity (eq/kg) = -1.945e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.878e-15 + Electrical balance (eq) = 2.879e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -137763,7 +136319,6 @@ N(5) 8.450e-07 NO3- 8.450e-07 8.056e-07 -6.073 -6.094 -0.021 29.50 Na 3.374e-06 Na+ 3.374e-06 3.220e-06 -5.472 -5.492 -0.020 -1.46 - NaOH 3.220e-23 3.222e-23 -22.492 -22.492 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137824,9 +136379,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.471e-19 + Total alkalinity (eq/kg) = -6.453e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.381e-15 + Electrical balance (eq) = 3.380e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -137861,7 +136416,6 @@ N(5) 1.305e-06 NO3- 1.305e-06 1.244e-06 -5.884 -5.905 -0.021 29.50 Na 5.394e-06 Na+ 5.394e-06 5.148e-06 -5.268 -5.288 -0.020 -1.46 - NaOH 5.149e-23 5.151e-23 -22.288 -22.288 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -137922,9 +136476,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.786e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.111e-19 + Total alkalinity (eq/kg) = -4.949e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.938e-15 + Electrical balance (eq) = 3.937e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -137959,7 +136513,6 @@ N(5) 1.977e-06 NO3- 1.977e-06 1.885e-06 -5.704 -5.725 -0.021 29.50 Na 8.502e-06 Na+ 8.502e-06 8.114e-06 -5.070 -5.091 -0.020 -1.46 - NaOH 8.116e-23 8.120e-23 -22.091 -22.090 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138020,9 +136573,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.777e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.170e-18 + Total alkalinity (eq/kg) = -1.029e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.560e-15 + Electrical balance (eq) = 4.561e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -138057,7 +136610,6 @@ N(5) 2.942e-06 NO3- 2.942e-06 2.805e-06 -5.531 -5.552 -0.021 29.50 Na 1.323e-05 Na+ 1.323e-05 1.263e-05 -4.878 -4.899 -0.020 -1.46 - NaOH 1.263e-22 1.264e-22 -21.899 -21.898 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138118,7 +136670,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.765e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.038e-18 + Total alkalinity (eq/kg) = 3.089e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.262e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -138155,7 +136707,6 @@ N(5) 4.301e-06 NO3- 4.301e-06 4.102e-06 -5.366 -5.387 -0.021 29.50 Na 2.035e-05 Na+ 2.035e-05 1.943e-05 -4.691 -4.711 -0.020 -1.46 - NaOH 1.944e-22 1.945e-22 -21.711 -21.711 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138216,9 +136767,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.745e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.635e-19 + Total alkalinity (eq/kg) = 5.582e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.055e-15 + Electrical balance (eq) = 6.058e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -138253,7 +136804,6 @@ N(5) 6.186e-06 NO3- 6.186e-06 5.901e-06 -5.209 -5.229 -0.020 29.50 Na 3.099e-05 Na+ 3.099e-05 2.959e-05 -4.509 -4.529 -0.020 -1.46 - NaOH 2.961e-22 2.962e-22 -21.529 -21.528 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138314,9 +136864,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.716e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.544e-19 + Total alkalinity (eq/kg) = 7.754e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.975e-15 + Electrical balance (eq) = 6.978e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -138351,7 +136901,6 @@ N(5) 8.756e-06 NO3- 8.756e-06 8.356e-06 -5.058 -5.078 -0.020 29.50 Na 4.673e-05 Na+ 4.673e-05 4.464e-05 -4.330 -4.350 -0.020 -1.46 - NaOH 4.467e-22 4.469e-22 -21.350 -21.350 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138412,9 +136961,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.672e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.328e-20 + Total alkalinity (eq/kg) = 4.707e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.082e-15 + Electrical balance (eq) = 8.085e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -138449,7 +136998,6 @@ N(5) 1.221e-05 NO3- 1.221e-05 1.165e-05 -4.913 -4.934 -0.020 29.50 Na 6.984e-05 Na+ 6.984e-05 6.675e-05 -4.156 -4.176 -0.020 -1.46 - NaOH 6.683e-22 6.685e-22 -21.175 -21.175 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138510,9 +137058,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.606e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.185e-19 + Total alkalinity (eq/kg) = 4.720e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.440e-15 + Electrical balance (eq) = 9.445e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -138547,7 +137095,6 @@ N(5) 1.676e-05 NO3- 1.676e-05 1.602e-05 -4.776 -4.795 -0.020 29.50 Na 1.036e-04 Na+ 1.036e-04 9.908e-05 -3.985 -4.004 -0.019 -1.47 - NaOH 9.924e-22 9.927e-22 -21.003 -21.003 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138608,9 +137155,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.512e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.115e-19 + Total alkalinity (eq/kg) = 5.978e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.059e-14 + Electrical balance (eq) = 1.060e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -138645,7 +137192,6 @@ N(5) 2.269e-05 NO3- 2.269e-05 2.171e-05 -4.644 -4.663 -0.019 29.50 Na 1.520e-04 Na+ 1.520e-04 1.456e-04 -3.818 -3.837 -0.019 -1.47 - NaOH 1.459e-21 1.460e-21 -20.836 -20.836 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138706,9 +137252,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.387e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.666e-19 + Total alkalinity (eq/kg) = 7.182e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.058e-14 + Electrical balance (eq) = 1.059e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -138743,7 +137289,6 @@ N(5) 3.028e-05 NO3- 3.028e-05 2.903e-05 -4.519 -4.537 -0.018 29.49 Na 2.180e-04 Na+ 2.180e-04 2.092e-04 -3.661 -3.679 -0.018 -1.47 - NaOH 2.099e-21 2.100e-21 -20.678 -20.678 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138804,9 +137349,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.256e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.720e-19 + Total alkalinity (eq/kg) = 4.597e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.056e-14 + Electrical balance (eq) = 1.057e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -138841,7 +137386,6 @@ N(5) 3.986e-05 NO3- 3.986e-05 3.829e-05 -4.399 -4.417 -0.017 29.49 Na 2.997e-04 Na+ 2.997e-04 2.881e-04 -3.523 -3.540 -0.017 -1.47 - NaOH 2.894e-21 2.895e-21 -20.539 -20.538 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -138902,7 +137446,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.687e-19 + Total alkalinity (eq/kg) = 4.247e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.050e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -138939,7 +137483,6 @@ N(5) 5.177e-05 NO3- 5.177e-05 4.978e-05 -4.286 -4.303 -0.017 29.49 Na 3.862e-04 Na+ 3.862e-04 3.715e-04 -3.413 -3.430 -0.017 -1.47 - NaOH 3.733e-21 3.734e-21 -20.428 -20.428 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -139000,7 +137543,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.148e-19 + Total alkalinity (eq/kg) = 6.853e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.032e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -139037,7 +137580,6 @@ N(5) 6.637e-05 NO3- 6.637e-05 6.381e-05 -4.178 -4.195 -0.017 29.49 Na 4.750e-04 Na+ 4.750e-04 4.570e-04 -3.323 -3.340 -0.017 -1.47 - NaOH 4.592e-21 4.593e-21 -20.338 -20.338 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -139098,7 +137640,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.618e-19 + Total alkalinity (eq/kg) = 1.028e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.001e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -139135,7 +137677,6 @@ N(5) 8.398e-05 NO3- 8.398e-05 8.074e-05 -4.076 -4.093 -0.017 29.49 Na 5.696e-04 Na+ 5.696e-04 5.480e-04 -3.244 -3.261 -0.017 -1.47 - NaOH 5.507e-21 5.508e-21 -20.259 -20.259 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139196,9 +137737,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.260e-19 + Total alkalinity (eq/kg) = 2.353e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.580e-15 + Electrical balance (eq) = 9.583e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -139233,7 +137774,6 @@ N(5) 1.049e-04 NO3- 1.049e-04 1.009e-04 -3.979 -3.996 -0.017 29.49 Na 6.646e-04 Na+ 6.646e-04 6.394e-04 -3.177 -3.194 -0.017 -1.47 - NaOH 6.425e-21 6.427e-21 -20.192 -20.192 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139294,9 +137834,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.701e-19 + Total alkalinity (eq/kg) = 5.348e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.059e-15 + Electrical balance (eq) = 9.063e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -139331,7 +137871,6 @@ N(5) 1.295e-04 NO3- 1.295e-04 1.245e-04 -3.888 -3.905 -0.017 29.49 Na 7.537e-04 Na+ 7.537e-04 7.251e-04 -3.123 -3.140 -0.017 -1.47 - NaOH 7.286e-21 7.288e-21 -20.137 -20.137 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139392,9 +137931,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.753e-19 + Total alkalinity (eq/kg) = 3.216e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.464e-15 + Electrical balance (eq) = 8.467e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -139429,7 +137968,6 @@ N(5) 1.580e-04 NO3- 1.580e-04 1.519e-04 -3.801 -3.818 -0.017 29.49 Na 8.307e-04 Na+ 8.307e-04 7.992e-04 -3.081 -3.097 -0.017 -1.47 - NaOH 8.031e-21 8.033e-21 -20.095 -20.095 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139490,9 +138028,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.408e-19 + Total alkalinity (eq/kg) = 7.584e-21 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.817e-15 + Electrical balance (eq) = 7.822e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -139527,7 +138065,6 @@ N(5) 1.904e-04 NO3- 1.904e-04 1.831e-04 -3.720 -3.737 -0.017 29.49 Na 8.913e-04 Na+ 8.913e-04 8.575e-04 -3.050 -3.067 -0.017 -1.47 - NaOH 8.616e-21 8.618e-21 -20.065 -20.065 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139586,9 +138123,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.077e-18 + Total alkalinity (eq/kg) = -2.152e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.132e-15 + Electrical balance (eq) = 7.135e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -139620,7 +138157,6 @@ N(5) 2.268e-04 NO3- 2.268e-04 2.181e-04 -3.644 -3.661 -0.017 29.49 Na 9.343e-04 Na+ 9.343e-04 8.989e-04 -3.029 -3.046 -0.017 -1.47 - NaOH 9.032e-21 9.035e-21 -20.044 -20.044 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139679,9 +138215,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.791e-19 + Total alkalinity (eq/kg) = -4.241e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.399e-15 + Electrical balance (eq) = 6.400e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -139713,7 +138249,6 @@ N(5) 2.672e-04 NO3- 2.672e-04 2.569e-04 -3.573 -3.590 -0.017 29.49 Na 9.623e-04 Na+ 9.623e-04 9.258e-04 -3.017 -3.033 -0.017 -1.47 - NaOH 9.303e-21 9.305e-21 -20.031 -20.031 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139772,9 +138307,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.638e-19 + Total alkalinity (eq/kg) = -2.337e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.619e-15 + Electrical balance (eq) = 5.620e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -139806,7 +138341,6 @@ N(5) 3.114e-04 NO3- 3.114e-04 2.994e-04 -3.507 -3.524 -0.017 29.49 Na 9.792e-04 Na+ 9.792e-04 9.421e-04 -3.009 -3.026 -0.017 -1.47 - NaOH 9.466e-21 9.469e-21 -20.024 -20.024 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139865,7 +138399,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.941e-19 + Total alkalinity (eq/kg) = 3.213e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.823e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -139899,7 +138433,6 @@ N(5) 3.590e-04 NO3- 3.590e-04 3.451e-04 -3.445 -3.462 -0.017 29.49 Na 9.889e-04 Na+ 9.889e-04 9.514e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.559e-21 9.562e-21 -20.020 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -139958,9 +138491,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.771e-19 + Total alkalinity (eq/kg) = 6.584e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.053e-15 + Electrical balance (eq) = 4.054e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -139992,7 +138525,6 @@ N(5) 4.096e-04 NO3- 4.096e-04 3.938e-04 -3.388 -3.405 -0.017 29.49 Na 9.942e-04 Na+ 9.942e-04 9.565e-04 -3.003 -3.019 -0.017 -1.47 - NaOH 9.610e-21 9.613e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140051,7 +138583,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.597e-19 + Total alkalinity (eq/kg) = 1.017e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 3.335e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -140085,7 +138617,6 @@ N(5) 4.626e-04 NO3- 4.626e-04 4.447e-04 -3.335 -3.352 -0.017 29.49 Na 9.970e-04 Na+ 9.970e-04 9.592e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.638e-21 9.641e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140144,7 +138675,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.571e-19 + Total alkalinity (eq/kg) = 1.486e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 2.667e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -140178,7 +138709,6 @@ N(5) 5.174e-04 NO3- 5.174e-04 4.974e-04 -3.286 -3.303 -0.017 29.49 Na 9.985e-04 Na+ 9.985e-04 9.606e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.652e-21 9.655e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140237,7 +138767,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.125e-18 + Total alkalinity (eq/kg) = 2.449e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 2.039e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -140271,7 +138801,6 @@ N(5) 5.731e-04 NO3- 5.731e-04 5.510e-04 -3.242 -3.259 -0.017 29.49 Na 9.993e-04 Na+ 9.993e-04 9.614e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.659e-21 9.662e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140330,9 +138859,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.566e-18 + Total alkalinity (eq/kg) = 3.034e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.443e-15 + Electrical balance (eq) = 1.442e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -140364,7 +138893,6 @@ N(5) 6.289e-04 NO3- 6.289e-04 6.046e-04 -3.201 -3.219 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140423,9 +138951,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.154e-18 + Total alkalinity (eq/kg) = 3.991e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.902e-16 + Electrical balance (eq) = 8.886e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -140457,7 +138985,6 @@ N(5) 6.831e-04 NO3- 6.831e-04 6.568e-04 -3.166 -3.183 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140516,9 +139043,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.478e-18 + Total alkalinity (eq/kg) = 5.052e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.105e-16 + Electrical balance (eq) = 4.086e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -140550,7 +139077,6 @@ N(5) 7.330e-04 NO3- 7.330e-04 7.047e-04 -3.135 -3.152 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140609,9 +139135,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.568e-18 + Total alkalinity (eq/kg) = 5.685e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.643e-17 + Electrical balance (eq) = 4.600e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -140643,7 +139169,6 @@ N(5) 7.731e-04 NO3- 7.731e-04 7.432e-04 -3.112 -3.129 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140702,9 +139227,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.719e-18 + Total alkalinity (eq/kg) = 5.495e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.540e-16 + Electrical balance (eq) = -1.556e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 @@ -140736,7 +139261,6 @@ N(5) 7.960e-04 NO3- 7.960e-04 7.653e-04 -3.099 -3.116 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140776,7 +139300,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -140807,7 +139331,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -140934,9 +139457,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.482e-19 + Total alkalinity (eq/kg) = -1.017e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.837e-16 + Electrical balance (eq) = 1.798e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -140971,7 +139494,6 @@ N(5) 7.854e-09 NO3- 7.854e-09 7.487e-09 -8.105 -8.126 -0.021 29.50 Na 2.813e-08 Na+ 2.813e-08 2.684e-08 -7.551 -7.571 -0.020 -1.46 - NaOH 2.684e-25 2.685e-25 -24.571 -24.571 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141032,9 +139554,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.832e-19 + Total alkalinity (eq/kg) = 4.648e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.790e-16 + Electrical balance (eq) = 3.768e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -141069,7 +139591,6 @@ N(5) 1.413e-08 NO3- 1.413e-08 1.347e-08 -7.850 -7.871 -0.021 29.50 Na 5.075e-08 Na+ 5.075e-08 4.843e-08 -7.295 -7.315 -0.020 -1.46 - NaOH 4.844e-25 4.846e-25 -24.315 -24.315 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141130,9 +139651,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.072e-19 + Total alkalinity (eq/kg) = 4.032e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.242e-16 + Electrical balance (eq) = 6.234e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -141167,7 +139688,6 @@ N(5) 2.754e-08 NO3- 2.754e-08 2.626e-08 -7.560 -7.581 -0.021 29.50 Na 9.945e-08 Na+ 9.945e-08 9.491e-08 -7.002 -7.023 -0.020 -1.46 - NaOH 9.492e-25 9.496e-25 -24.023 -24.022 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141228,9 +139748,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.818e-19 + Total alkalinity (eq/kg) = 1.094e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.594e-16 + Electrical balance (eq) = 8.598e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -141265,7 +139785,6 @@ N(5) 5.092e-08 NO3- 5.092e-08 4.855e-08 -7.293 -7.314 -0.021 29.50 Na 1.855e-07 Na+ 1.855e-07 1.770e-07 -6.732 -6.752 -0.020 -1.46 - NaOH 1.770e-24 1.771e-24 -23.752 -23.752 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141326,7 +139845,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.101e-19 + Total alkalinity (eq/kg) = 2.595e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.119e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -141363,7 +139882,6 @@ N(5) 8.993e-08 NO3- 8.993e-08 8.573e-08 -7.046 -7.067 -0.021 29.50 Na 3.317e-07 Na+ 3.317e-07 3.165e-07 -6.479 -6.500 -0.020 -1.46 - NaOH 3.165e-24 3.167e-24 -23.500 -23.499 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141424,9 +139942,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.641e-19 + Total alkalinity (eq/kg) = 3.939e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.413e-15 + Electrical balance (eq) = 1.414e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -141461,7 +139979,6 @@ N(5) 1.535e-07 NO3- 1.535e-07 1.463e-07 -6.814 -6.835 -0.021 29.50 Na 5.754e-07 Na+ 5.754e-07 5.491e-07 -6.240 -6.260 -0.020 -1.46 - NaOH 5.492e-24 5.494e-24 -23.260 -23.260 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141522,7 +140039,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.942e-19 + Total alkalinity (eq/kg) = 4.495e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.742e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -141559,7 +140076,6 @@ N(5) 2.546e-07 NO3- 2.546e-07 2.428e-07 -6.594 -6.615 -0.021 29.50 Na 9.740e-07 Na+ 9.740e-07 9.295e-07 -6.011 -6.032 -0.020 -1.46 - NaOH 9.296e-24 9.300e-24 -23.032 -23.032 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141620,9 +140136,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.094e-19 + Total alkalinity (eq/kg) = -8.132e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.109e-15 + Electrical balance (eq) = 2.110e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -141657,7 +140173,6 @@ N(5) 4.120e-07 NO3- 4.120e-07 3.927e-07 -6.385 -6.406 -0.021 29.50 Na 1.615e-06 Na+ 1.615e-06 1.541e-06 -5.792 -5.812 -0.020 -1.46 - NaOH 1.541e-23 1.542e-23 -22.812 -22.812 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141718,9 +140233,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.939e-20 + Total alkalinity (eq/kg) = -3.521e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.519e-15 + Electrical balance (eq) = 2.520e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -141755,7 +140270,6 @@ N(5) 6.517e-07 NO3- 6.517e-07 6.213e-07 -6.186 -6.207 -0.021 29.50 Na 2.628e-06 Na+ 2.628e-06 2.508e-06 -5.580 -5.601 -0.020 -1.46 - NaOH 2.509e-23 2.510e-23 -22.601 -22.600 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141816,9 +140330,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.190e-19 + Total alkalinity (eq/kg) = -5.053e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.981e-15 + Electrical balance (eq) = 2.979e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -141853,7 +140367,6 @@ N(5) 1.010e-06 NO3- 1.010e-06 9.629e-07 -5.996 -6.016 -0.021 29.50 Na 4.211e-06 Na+ 4.211e-06 4.018e-06 -5.376 -5.396 -0.020 -1.46 - NaOH 4.019e-23 4.021e-23 -22.396 -22.396 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -141914,7 +140427,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.796e-19 + Total alkalinity (eq/kg) = -2.969e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.493e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -141951,7 +140464,6 @@ N(5) 1.536e-06 NO3- 1.536e-06 1.464e-06 -5.814 -5.834 -0.021 29.50 Na 6.651e-06 Na+ 6.651e-06 6.348e-06 -5.177 -5.197 -0.020 -1.46 - NaOH 6.349e-23 6.352e-23 -22.197 -22.197 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142012,9 +140524,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.615e-19 + Total alkalinity (eq/kg) = 3.149e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.065e-15 + Electrical balance (eq) = 4.066e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142049,7 +140561,6 @@ N(5) 2.294e-06 NO3- 2.294e-06 2.187e-06 -5.639 -5.660 -0.021 29.50 Na 1.037e-05 Na+ 1.037e-05 9.902e-06 -4.984 -5.004 -0.020 -1.46 - NaOH 9.904e-23 9.908e-23 -22.004 -22.004 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142110,9 +140621,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.104e-19 + Total alkalinity (eq/kg) = 7.529e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.706e-15 + Electrical balance (eq) = 4.705e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142147,7 +140658,6 @@ N(5) 3.368e-06 NO3- 3.368e-06 3.212e-06 -5.473 -5.493 -0.021 29.50 Na 1.600e-05 Na+ 1.600e-05 1.527e-05 -4.796 -4.816 -0.020 -1.46 - NaOH 1.528e-22 1.528e-22 -21.816 -21.816 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142208,9 +140718,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.756e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.080e-19 + Total alkalinity (eq/kg) = 6.999e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.433e-15 + Electrical balance (eq) = 5.435e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142245,7 +140755,6 @@ N(5) 4.865e-06 NO3- 4.865e-06 4.641e-06 -5.313 -5.333 -0.021 29.50 Na 2.441e-05 Na+ 2.441e-05 2.331e-05 -4.612 -4.632 -0.020 -1.46 - NaOH 2.332e-22 2.333e-22 -21.632 -21.632 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142306,9 +140815,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.732e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.505e-19 + Total alkalinity (eq/kg) = 9.235e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.275e-15 + Electrical balance (eq) = 6.277e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142343,7 +140852,6 @@ N(5) 6.919e-06 NO3- 6.919e-06 6.602e-06 -5.160 -5.180 -0.020 29.50 Na 3.691e-05 Na+ 3.691e-05 3.525e-05 -4.433 -4.453 -0.020 -1.46 - NaOH 3.528e-22 3.529e-22 -21.453 -21.452 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142404,9 +140912,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.696e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.084e-19 + Total alkalinity (eq/kg) = 8.686e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.279e-15 + Electrical balance (eq) = 7.282e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142441,7 +140949,6 @@ N(5) 9.693e-06 NO3- 9.693e-06 9.253e-06 -5.014 -5.034 -0.020 29.50 Na 5.534e-05 Na+ 5.534e-05 5.287e-05 -4.257 -4.277 -0.020 -1.46 - NaOH 5.292e-22 5.294e-22 -21.276 -21.276 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142502,9 +141009,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.643e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.095e-19 + Total alkalinity (eq/kg) = 7.841e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.484e-15 + Electrical balance (eq) = 8.488e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142539,7 +141046,6 @@ N(5) 1.338e-05 NO3- 1.338e-05 1.278e-05 -4.873 -4.893 -0.020 29.50 Na 8.227e-05 Na+ 8.227e-05 7.866e-05 -4.085 -4.104 -0.019 -1.46 - NaOH 7.877e-22 7.880e-22 -21.104 -21.103 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142600,9 +141106,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.566e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.817e-19 + Total alkalinity (eq/kg) = 1.125e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.729e-15 + Electrical balance (eq) = 9.733e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142637,7 +141143,6 @@ N(5) 1.821e-05 NO3- 1.821e-05 1.742e-05 -4.740 -4.759 -0.019 29.50 Na 1.211e-04 Na+ 1.211e-04 1.159e-04 -3.917 -3.936 -0.019 -1.47 - NaOH 1.161e-21 1.162e-21 -20.935 -20.935 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142698,9 +141203,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.649e-20 + Total alkalinity (eq/kg) = 9.370e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.011e-14 + Electrical balance (eq) = 1.012e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -142735,7 +141240,6 @@ N(5) 2.445e-05 NO3- 2.445e-05 2.341e-05 -4.612 -4.631 -0.019 29.50 Na 1.754e-04 Na+ 1.754e-04 1.681e-04 -3.756 -3.775 -0.018 -1.47 - NaOH 1.685e-21 1.686e-21 -20.773 -20.773 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142796,9 +141300,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.338e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.780e-19 + Total alkalinity (eq/kg) = 6.098e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.037e-14 + Electrical balance (eq) = 1.038e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -142833,7 +141337,6 @@ N(5) 3.238e-05 NO3- 3.238e-05 3.106e-05 -4.490 -4.508 -0.018 29.49 Na 2.469e-04 Na+ 2.469e-04 2.371e-04 -3.607 -3.625 -0.018 -1.47 - NaOH 2.379e-21 2.380e-21 -20.624 -20.623 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -142894,9 +141397,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.204e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.377e-19 + Total alkalinity (eq/kg) = 6.228e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.046e-14 + Electrical balance (eq) = 1.047e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -142931,7 +141434,6 @@ N(5) 4.231e-05 NO3- 4.231e-05 4.068e-05 -4.374 -4.391 -0.017 29.49 Na 3.343e-04 Na+ 3.343e-04 3.216e-04 -3.476 -3.493 -0.017 -1.47 - NaOH 3.232e-21 3.233e-21 -20.491 -20.490 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -142992,7 +141494,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.483e-19 + Total alkalinity (eq/kg) = 7.981e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.039e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -143029,7 +141531,6 @@ N(5) 5.459e-05 NO3- 5.459e-05 5.248e-05 -4.263 -4.280 -0.017 29.49 Na 4.167e-04 Na+ 4.167e-04 4.009e-04 -3.380 -3.397 -0.017 -1.47 - NaOH 4.029e-21 4.030e-21 -20.395 -20.395 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -143090,9 +141591,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.999e-19 + Total alkalinity (eq/kg) = 4.010e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.019e-14 + Electrical balance (eq) = 1.020e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -143127,7 +141628,6 @@ N(5) 6.953e-05 NO3- 6.953e-05 6.685e-05 -4.158 -4.175 -0.017 29.49 Na 5.075e-04 Na+ 5.075e-04 4.883e-04 -3.295 -3.311 -0.017 -1.47 - NaOH 4.906e-21 4.908e-21 -20.309 -20.309 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -143188,9 +141688,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.743e-19 + Total alkalinity (eq/kg) = 4.358e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.889e-15 + Electrical balance (eq) = 9.893e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -143225,7 +141725,6 @@ N(5) 8.748e-05 NO3- 8.748e-05 8.411e-05 -4.058 -4.075 -0.017 29.49 Na 6.023e-04 Na+ 6.023e-04 5.794e-04 -3.220 -3.237 -0.017 -1.47 - NaOH 5.822e-21 5.824e-21 -20.235 -20.235 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143286,9 +141785,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.336e-19 + Total alkalinity (eq/kg) = 7.437e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.482e-15 + Electrical balance (eq) = 9.485e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -143323,7 +141822,6 @@ N(5) 1.087e-04 NO3- 1.087e-04 1.045e-04 -3.964 -3.981 -0.017 29.49 Na 6.954e-04 Na+ 6.954e-04 6.691e-04 -3.158 -3.175 -0.017 -1.47 - NaOH 6.723e-21 6.725e-21 -20.172 -20.172 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143384,9 +141882,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.368e-20 + Total alkalinity (eq/kg) = 6.145e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.982e-15 + Electrical balance (eq) = 8.986e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -143421,7 +141919,6 @@ N(5) 1.335e-04 NO3- 1.335e-04 1.284e-04 -3.874 -3.891 -0.017 29.49 Na 7.807e-04 Na+ 7.807e-04 7.511e-04 -3.108 -3.124 -0.017 -1.47 - NaOH 7.547e-21 7.549e-21 -20.122 -20.122 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143482,9 +141979,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.240e-19 + Total alkalinity (eq/kg) = 2.255e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.409e-15 + Electrical balance (eq) = 8.413e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -143519,7 +142016,6 @@ N(5) 1.621e-04 NO3- 1.621e-04 1.559e-04 -3.790 -3.807 -0.017 29.49 Na 8.523e-04 Na+ 8.523e-04 8.200e-04 -3.069 -3.086 -0.017 -1.47 - NaOH 8.239e-21 8.241e-21 -20.084 -20.084 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143580,9 +142076,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.099e-20 + Total alkalinity (eq/kg) = -1.960e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.780e-15 + Electrical balance (eq) = 7.785e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -143617,7 +142113,6 @@ N(5) 1.946e-04 NO3- 1.946e-04 1.871e-04 -3.711 -3.728 -0.017 29.49 Na 9.068e-04 Na+ 9.068e-04 8.724e-04 -3.042 -3.059 -0.017 -1.47 - NaOH 8.766e-21 8.768e-21 -20.057 -20.057 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143676,9 +142171,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.457e-19 + Total alkalinity (eq/kg) = -5.073e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.105e-15 + Electrical balance (eq) = 7.109e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -143710,7 +142205,6 @@ N(5) 2.309e-04 NO3- 2.309e-04 2.220e-04 -3.636 -3.654 -0.017 29.49 Na 9.445e-04 Na+ 9.445e-04 9.087e-04 -3.025 -3.042 -0.017 -1.47 - NaOH 9.131e-21 9.133e-21 -20.040 -20.039 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143769,9 +142263,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.614e-19 + Total alkalinity (eq/kg) = -3.774e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.385e-15 + Electrical balance (eq) = 6.388e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -143803,7 +142297,6 @@ N(5) 2.711e-04 NO3- 2.711e-04 2.607e-04 -3.567 -3.584 -0.017 29.49 Na 9.685e-04 Na+ 9.685e-04 9.317e-04 -3.014 -3.031 -0.017 -1.47 - NaOH 9.362e-21 9.365e-21 -20.029 -20.029 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143862,7 +142355,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.806e-19 + Total alkalinity (eq/kg) = -6.166e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.628e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -143896,7 +142389,6 @@ N(5) 3.149e-04 NO3- 3.149e-04 3.028e-04 -3.502 -3.519 -0.017 29.49 Na 9.827e-04 Na+ 9.827e-04 9.454e-04 -3.008 -3.024 -0.017 -1.47 - NaOH 9.500e-21 9.502e-21 -20.022 -20.022 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -143955,7 +142447,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.787e-19 + Total alkalinity (eq/kg) = 3.607e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.856e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -143989,7 +142481,6 @@ N(5) 3.621e-04 NO3- 3.621e-04 3.481e-04 -3.441 -3.458 -0.017 29.49 Na 9.908e-04 Na+ 9.908e-04 9.532e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.578e-21 9.580e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144048,9 +142539,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.778e-19 + Total alkalinity (eq/kg) = 6.639e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.105e-15 + Electrical balance (eq) = 4.104e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144082,7 +142573,6 @@ N(5) 4.121e-04 NO3- 4.121e-04 3.962e-04 -3.385 -3.402 -0.017 29.49 Na 9.952e-04 Na+ 9.952e-04 9.574e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.620e-21 9.623e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144141,9 +142631,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.717e-19 + Total alkalinity (eq/kg) = 8.542e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.394e-15 + Electrical balance (eq) = 3.393e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144175,7 +142665,6 @@ N(5) 4.644e-04 NO3- 4.644e-04 4.465e-04 -3.333 -3.350 -0.017 29.49 Na 9.975e-04 Na+ 9.975e-04 9.597e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.643e-21 9.645e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144234,9 +142723,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.983e-19 + Total alkalinity (eq/kg) = 1.641e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.729e-15 + Electrical balance (eq) = 2.727e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144268,7 +142757,6 @@ N(5) 5.183e-04 NO3- 5.183e-04 4.983e-04 -3.285 -3.303 -0.017 29.49 Na 9.988e-04 Na+ 9.988e-04 9.609e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.655e-21 9.657e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144327,9 +142815,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.840e-19 + Total alkalinity (eq/kg) = 2.401e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.103e-15 + Electrical balance (eq) = 2.101e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144361,7 +142849,6 @@ N(5) 5.729e-04 NO3- 5.729e-04 5.508e-04 -3.242 -3.259 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144420,9 +142907,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.148e-18 + Total alkalinity (eq/kg) = 2.843e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.516e-15 + Electrical balance (eq) = 1.515e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144454,7 +142941,6 @@ N(5) 6.266e-04 NO3- 6.266e-04 6.024e-04 -3.203 -3.220 -0.017 29.49 Na 9.997e-04 Na+ 9.997e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144513,9 +142999,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.116e-18 + Total alkalinity (eq/kg) = 3.756e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.919e-16 + Electrical balance (eq) = 9.906e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144547,7 +143033,6 @@ N(5) 6.765e-04 NO3- 6.765e-04 6.504e-04 -3.170 -3.187 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144606,9 +143091,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.979e-18 + Total alkalinity (eq/kg) = 5.222e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.839e-16 + Electrical balance (eq) = 5.823e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144640,7 +143125,6 @@ N(5) 7.169e-04 NO3- 7.169e-04 6.893e-04 -3.145 -3.162 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144699,9 +143183,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.654e-18 + Total alkalinity (eq/kg) = 5.451e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.546e-16 + Electrical balance (eq) = 3.525e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144733,7 +143217,6 @@ N(5) 7.401e-04 NO3- 7.401e-04 7.116e-04 -3.131 -3.148 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.669e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144773,7 +143256,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -144804,7 +143287,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -144931,9 +143413,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.300e-19 + Total alkalinity (eq/kg) = 1.244e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.536e-16 + Electrical balance (eq) = 1.520e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -144968,7 +143450,6 @@ N(5) 5.967e-09 NO3- 5.967e-09 5.688e-09 -8.224 -8.245 -0.021 29.50 Na 2.168e-08 Na+ 2.168e-08 2.069e-08 -7.664 -7.684 -0.020 -1.46 - NaOH 2.070e-25 2.070e-25 -24.684 -24.684 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145029,9 +143510,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.028e-20 + Total alkalinity (eq/kg) = 7.202e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.127e-16 + Electrical balance (eq) = 3.095e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145066,7 +143547,6 @@ N(5) 1.074e-08 NO3- 1.074e-08 1.024e-08 -7.969 -7.990 -0.021 29.50 Na 3.915e-08 Na+ 3.915e-08 3.736e-08 -7.407 -7.428 -0.020 -1.46 - NaOH 3.737e-25 3.738e-25 -24.428 -24.427 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145127,9 +143607,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.332e-19 + Total alkalinity (eq/kg) = -2.842e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.159e-16 + Electrical balance (eq) = 5.143e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145164,7 +143644,6 @@ N(5) 2.096e-08 NO3- 2.096e-08 1.999e-08 -7.679 -7.699 -0.021 29.50 Na 7.679e-08 Na+ 7.679e-08 7.328e-08 -7.115 -7.135 -0.020 -1.46 - NaOH 7.329e-25 7.332e-25 -24.135 -24.135 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145225,9 +143704,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.048e-19 + Total alkalinity (eq/kg) = -2.071e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.168e-16 + Electrical balance (eq) = 7.153e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145262,7 +143741,6 @@ N(5) 3.882e-08 NO3- 3.882e-08 3.700e-08 -7.411 -7.432 -0.021 29.50 Na 1.433e-07 Na+ 1.433e-07 1.368e-07 -6.844 -6.864 -0.020 -1.46 - NaOH 1.368e-24 1.369e-24 -23.864 -23.864 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145323,9 +143801,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.957e-19 + Total alkalinity (eq/kg) = 1.317e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.412e-16 + Electrical balance (eq) = 9.392e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145360,7 +143838,6 @@ N(5) 6.867e-08 NO3- 6.867e-08 6.547e-08 -7.163 -7.184 -0.021 29.50 Na 2.567e-07 Na+ 2.567e-07 2.449e-07 -6.591 -6.611 -0.020 -1.46 - NaOH 2.450e-24 2.451e-24 -23.611 -23.611 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145421,9 +143898,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.076e-18 + Total alkalinity (eq/kg) = 9.633e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.197e-15 + Electrical balance (eq) = 1.200e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145458,7 +143935,6 @@ N(5) 1.175e-07 NO3- 1.175e-07 1.120e-07 -6.930 -6.951 -0.021 29.50 Na 4.459e-07 Na+ 4.459e-07 4.256e-07 -6.351 -6.371 -0.020 -1.46 - NaOH 4.256e-24 4.258e-24 -23.371 -23.371 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145519,9 +143995,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.139e-19 + Total alkalinity (eq/kg) = 6.694e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.491e-15 + Electrical balance (eq) = 1.492e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145556,7 +144032,6 @@ N(5) 1.953e-07 NO3- 1.953e-07 1.862e-07 -6.709 -6.730 -0.021 29.50 Na 7.561e-07 Na+ 7.561e-07 7.215e-07 -6.121 -6.142 -0.020 -1.46 - NaOH 7.216e-24 7.219e-24 -23.142 -23.142 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145617,9 +144092,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.243e-19 + Total alkalinity (eq/kg) = 6.075e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.822e-15 + Electrical balance (eq) = 1.823e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145654,7 +144129,6 @@ N(5) 3.168e-07 NO3- 3.168e-07 3.020e-07 -6.499 -6.520 -0.021 29.50 Na 1.255e-06 Na+ 1.255e-06 1.198e-06 -5.901 -5.922 -0.020 -1.46 - NaOH 1.198e-23 1.199e-23 -22.921 -22.921 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145715,9 +144189,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.139e-19 + Total alkalinity (eq/kg) = -2.928e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.194e-15 + Electrical balance (eq) = 2.195e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145752,7 +144226,6 @@ N(5) 5.026e-07 NO3- 5.026e-07 4.792e-07 -6.299 -6.319 -0.021 29.50 Na 2.048e-06 Na+ 2.048e-06 1.954e-06 -5.689 -5.709 -0.020 -1.46 - NaOH 1.954e-23 1.955e-23 -22.709 -22.709 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145813,7 +144286,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.794e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.003e-18 + Total alkalinity (eq/kg) = 4.960e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.612e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -145850,7 +144323,6 @@ N(5) 7.815e-07 NO3- 7.815e-07 7.450e-07 -6.107 -6.128 -0.021 29.50 Na 3.287e-06 Na+ 3.287e-06 3.137e-06 -5.483 -5.504 -0.020 -1.46 - NaOH 3.137e-23 3.139e-23 -22.503 -22.503 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -145911,9 +144383,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.444e-19 + Total alkalinity (eq/kg) = 2.320e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.081e-15 + Electrical balance (eq) = 3.080e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -145948,7 +144420,6 @@ N(5) 1.192e-06 NO3- 1.192e-06 1.137e-06 -5.924 -5.944 -0.021 29.50 Na 5.203e-06 Na+ 5.203e-06 4.965e-06 -5.284 -5.304 -0.020 -1.46 - NaOH 4.966e-23 4.968e-23 -22.304 -22.304 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146009,9 +144480,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.786e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.390e-20 + Total alkalinity (eq/kg) = -5.390e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.606e-15 + Electrical balance (eq) = 3.605e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -146046,7 +144517,6 @@ N(5) 1.788e-06 NO3- 1.788e-06 1.704e-06 -5.748 -5.768 -0.021 29.50 Na 8.132e-06 Na+ 8.132e-06 7.762e-06 -5.090 -5.110 -0.020 -1.46 - NaOH 7.764e-23 7.767e-23 -22.110 -22.110 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146107,9 +144577,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.777e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.562e-19 + Total alkalinity (eq/kg) = 5.635e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.194e-15 + Electrical balance (eq) = 4.193e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -146144,7 +144614,6 @@ N(5) 2.635e-06 NO3- 2.635e-06 2.513e-06 -5.579 -5.600 -0.021 29.50 Na 1.257e-05 Na+ 1.257e-05 1.200e-05 -4.901 -4.921 -0.020 -1.46 - NaOH 1.200e-22 1.201e-22 -21.921 -21.921 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146205,9 +144674,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.765e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.295e-20 + Total alkalinity (eq/kg) = -2.676e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.862e-15 + Electrical balance (eq) = 4.863e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -146242,7 +144711,6 @@ N(5) 3.823e-06 NO3- 3.823e-06 3.646e-06 -5.418 -5.438 -0.021 29.50 Na 1.923e-05 Na+ 1.923e-05 1.835e-05 -4.716 -4.736 -0.020 -1.46 - NaOH 1.836e-22 1.837e-22 -21.736 -21.736 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146303,9 +144771,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.746e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.924e-19 + Total alkalinity (eq/kg) = 1.527e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.625e-15 + Electrical balance (eq) = 5.627e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -146340,7 +144808,6 @@ N(5) 5.462e-06 NO3- 5.462e-06 5.210e-06 -5.263 -5.283 -0.020 29.50 Na 2.914e-05 Na+ 2.914e-05 2.782e-05 -4.536 -4.556 -0.020 -1.46 - NaOH 2.784e-22 2.785e-22 -21.555 -21.555 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146401,7 +144868,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.717e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.308e-20 + Total alkalinity (eq/kg) = 8.196e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.518e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -146438,7 +144905,6 @@ N(5) 7.688e-06 NO3- 7.688e-06 7.337e-06 -5.114 -5.134 -0.020 29.50 Na 4.378e-05 Na+ 4.378e-05 4.182e-05 -4.359 -4.379 -0.020 -1.46 - NaOH 4.185e-22 4.187e-22 -21.378 -21.378 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146499,9 +144965,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.673e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.001e-19 + Total alkalinity (eq/kg) = 9.594e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.597e-15 + Electrical balance (eq) = 7.600e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -146536,7 +145002,6 @@ N(5) 1.067e-05 NO3- 1.067e-05 1.019e-05 -4.972 -4.992 -0.020 29.50 Na 6.525e-05 Na+ 6.525e-05 6.236e-05 -4.185 -4.205 -0.020 -1.46 - NaOH 6.243e-22 6.245e-22 -21.205 -21.204 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146597,9 +145062,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.609e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.215e-19 + Total alkalinity (eq/kg) = 1.095e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.951e-15 + Electrical balance (eq) = 8.954e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -146634,7 +145099,6 @@ N(5) 1.460e-05 NO3- 1.460e-05 1.395e-05 -4.836 -4.855 -0.020 29.50 Na 9.657e-05 Na+ 9.657e-05 9.238e-05 -4.015 -4.034 -0.019 -1.47 - NaOH 9.252e-22 9.256e-22 -21.034 -21.034 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146695,7 +145159,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.517e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.661e-20 + Total alkalinity (eq/kg) = 1.193e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.020e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -146732,7 +145196,6 @@ N(5) 1.970e-05 NO3- 1.970e-05 1.885e-05 -4.706 -4.725 -0.019 29.50 Na 1.416e-04 Na+ 1.416e-04 1.356e-04 -3.849 -3.868 -0.019 -1.47 - NaOH 1.359e-21 1.359e-21 -20.867 -20.867 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146793,7 +145256,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.394e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.214e-19 + Total alkalinity (eq/kg) = 6.176e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.022e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -146830,7 +145293,6 @@ N(5) 2.624e-05 NO3- 2.624e-05 2.515e-05 -4.581 -4.599 -0.018 29.49 Na 2.030e-04 Na+ 2.030e-04 1.947e-04 -3.693 -3.711 -0.018 -1.47 - NaOH 1.954e-21 1.954e-21 -20.709 -20.709 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146891,9 +145353,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.267e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.233e-19 + Total alkalinity (eq/kg) = 8.497e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.028e-14 + Electrical balance (eq) = 1.029e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 @@ -146928,7 +145390,6 @@ N(5) 3.449e-05 NO3- 3.449e-05 3.313e-05 -4.462 -4.480 -0.018 29.49 Na 2.793e-04 Na+ 2.793e-04 2.685e-04 -3.554 -3.571 -0.017 -1.47 - NaOH 2.696e-21 2.697e-21 -20.569 -20.569 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -146989,7 +145450,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.129e-19 + Total alkalinity (eq/kg) = 4.800e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.033e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -147026,7 +145487,6 @@ N(5) 4.477e-05 NO3- 4.477e-05 4.304e-05 -4.349 -4.366 -0.017 29.49 Na 3.626e-04 Na+ 3.626e-04 3.489e-04 -3.441 -3.457 -0.017 -1.47 - NaOH 3.506e-21 3.507e-21 -20.455 -20.455 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -147087,7 +145547,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.047e-19 + Total alkalinity (eq/kg) = 1.435e-20 Temperature (°C) = 25.00 Electrical balance (eq) = 1.026e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -147124,7 +145584,6 @@ N(5) 5.739e-05 NO3- 5.739e-05 5.518e-05 -4.241 -4.258 -0.017 29.49 Na 4.479e-04 Na+ 4.479e-04 4.309e-04 -3.349 -3.366 -0.017 -1.47 - NaOH 4.330e-21 4.331e-21 -20.364 -20.363 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -147185,7 +145644,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.545e-19 + Total alkalinity (eq/kg) = 1.158e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.008e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -147222,7 +145681,6 @@ N(5) 7.267e-05 NO3- 7.267e-05 6.987e-05 -4.139 -4.156 -0.017 29.49 Na 5.401e-04 Na+ 5.401e-04 5.196e-04 -3.268 -3.284 -0.017 -1.47 - NaOH 5.221e-21 5.223e-21 -20.282 -20.282 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -147283,9 +145741,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.076e-19 + Total alkalinity (eq/kg) = 1.578e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.782e-15 + Electrical balance (eq) = 9.786e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -147320,7 +145778,6 @@ N(5) 9.093e-05 NO3- 9.093e-05 8.742e-05 -4.041 -4.058 -0.017 29.49 Na 6.344e-04 Na+ 6.344e-04 6.103e-04 -3.198 -3.214 -0.017 -1.47 - NaOH 6.133e-21 6.134e-21 -20.212 -20.212 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -147381,9 +145838,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.436e-19 + Total alkalinity (eq/kg) = 2.977e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.387e-15 + Electrical balance (eq) = 9.390e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -147418,7 +145875,6 @@ N(5) 1.124e-04 NO3- 1.124e-04 1.081e-04 -3.949 -3.966 -0.017 29.49 Na 7.251e-04 Na+ 7.251e-04 6.976e-04 -3.140 -3.156 -0.017 -1.47 - NaOH 7.010e-21 7.012e-21 -20.154 -20.154 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -147479,9 +145935,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.092e-19 + Total alkalinity (eq/kg) = 1.248e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.904e-15 + Electrical balance (eq) = 8.908e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -147516,7 +145972,6 @@ N(5) 1.375e-04 NO3- 1.375e-04 1.322e-04 -3.862 -3.879 -0.017 29.49 Na 8.059e-04 Na+ 8.059e-04 7.754e-04 -3.094 -3.110 -0.017 -1.47 - NaOH 7.791e-21 7.793e-21 -20.108 -20.108 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -147577,9 +146032,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.910e-19 + Total alkalinity (eq/kg) = -1.100e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.348e-15 + Electrical balance (eq) = 8.352e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -147614,7 +146069,6 @@ N(5) 1.662e-04 NO3- 1.662e-04 1.597e-04 -3.779 -3.797 -0.017 29.49 Na 8.718e-04 Na+ 8.718e-04 8.387e-04 -3.060 -3.076 -0.017 -1.47 - NaOH 8.428e-21 8.430e-21 -20.074 -20.074 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -147673,9 +146127,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.755e-19 + Total alkalinity (eq/kg) = -2.873e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.732e-15 + Electrical balance (eq) = 7.736e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -147707,7 +146161,6 @@ N(5) 1.986e-04 NO3- 1.986e-04 1.910e-04 -3.702 -3.719 -0.017 29.49 Na 9.205e-04 Na+ 9.205e-04 8.856e-04 -3.036 -3.053 -0.017 -1.47 - NaOH 8.898e-21 8.901e-21 -20.051 -20.051 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -147766,9 +146219,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.109e-19 + Total alkalinity (eq/kg) = -3.849e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.066e-15 + Electrical balance (eq) = 7.070e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -147800,7 +146253,6 @@ N(5) 2.349e-04 NO3- 2.349e-04 2.258e-04 -3.629 -3.646 -0.017 29.49 Na 9.533e-04 Na+ 9.533e-04 9.171e-04 -3.021 -3.038 -0.017 -1.47 - NaOH 9.215e-21 9.218e-21 -20.035 -20.035 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -147859,9 +146311,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.882e-19 + Total alkalinity (eq/kg) = -3.766e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.359e-15 + Electrical balance (eq) = 6.362e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -147893,7 +146345,6 @@ N(5) 2.749e-04 NO3- 2.749e-04 2.643e-04 -3.561 -3.578 -0.017 29.49 Na 9.737e-04 Na+ 9.737e-04 9.367e-04 -3.012 -3.028 -0.017 -1.47 - NaOH 9.412e-21 9.415e-21 -20.026 -20.026 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -147952,9 +146403,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.833e-19 + Total alkalinity (eq/kg) = 3.223e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.623e-15 + Electrical balance (eq) = 5.624e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -147986,7 +146437,6 @@ N(5) 3.184e-04 NO3- 3.184e-04 3.061e-04 -3.497 -3.514 -0.017 29.49 Na 9.856e-04 Na+ 9.856e-04 9.483e-04 -3.006 -3.023 -0.017 -1.47 - NaOH 9.528e-21 9.531e-21 -20.021 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148045,9 +146495,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.157e-19 + Total alkalinity (eq/kg) = 7.014e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.877e-15 + Electrical balance (eq) = 4.876e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148079,7 +146529,6 @@ N(5) 3.650e-04 NO3- 3.650e-04 3.510e-04 -3.438 -3.455 -0.017 29.49 Na 9.923e-04 Na+ 9.923e-04 9.547e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.593e-21 9.596e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148138,9 +146587,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.787e-19 + Total alkalinity (eq/kg) = 8.173e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.144e-15 + Electrical balance (eq) = 4.143e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148172,7 +146621,6 @@ N(5) 4.144e-04 NO3- 4.144e-04 3.984e-04 -3.383 -3.400 -0.017 29.49 Na 9.960e-04 Na+ 9.960e-04 9.582e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.628e-21 9.631e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148231,9 +146679,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.184e-19 + Total alkalinity (eq/kg) = 8.267e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.442e-15 + Electrical balance (eq) = 3.441e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148265,7 +146713,6 @@ N(5) 4.659e-04 NO3- 4.659e-04 4.480e-04 -3.332 -3.349 -0.017 29.49 Na 9.980e-04 Na+ 9.980e-04 9.601e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.647e-21 9.650e-21 -20.016 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148324,9 +146771,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.096e-19 + Total alkalinity (eq/kg) = 1.200e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.780e-15 + Electrical balance (eq) = 2.779e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148358,7 +146805,6 @@ N(5) 5.187e-04 NO3- 5.187e-04 4.987e-04 -3.285 -3.302 -0.017 29.49 Na 9.990e-04 Na+ 9.990e-04 9.611e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.657e-21 9.659e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148417,9 +146863,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.350e-19 + Total alkalinity (eq/kg) = 2.495e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.165e-15 + Electrical balance (eq) = 2.164e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148451,7 +146897,6 @@ N(5) 5.712e-04 NO3- 5.712e-04 5.492e-04 -3.243 -3.260 -0.017 29.49 Na 9.995e-04 Na+ 9.995e-04 9.616e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.664e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148510,7 +146955,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.221e-18 + Total alkalinity (eq/kg) = 2.702e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.611e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -148544,7 +146989,6 @@ N(5) 6.205e-04 NO3- 6.205e-04 5.966e-04 -3.207 -3.224 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.618e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148603,9 +147047,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.356e-18 + Total alkalinity (eq/kg) = 3.856e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.174e-15 + Electrical balance (eq) = 1.172e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148637,7 +147081,6 @@ N(5) 6.607e-04 NO3- 6.607e-04 6.352e-04 -3.180 -3.197 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148696,9 +147139,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.014e-18 + Total alkalinity (eq/kg) = 4.157e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.265e-16 + Electrical balance (eq) = 9.241e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148730,7 +147173,6 @@ N(5) 6.838e-04 NO3- 6.838e-04 6.575e-04 -3.165 -3.182 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148770,7 +147212,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -148801,7 +147243,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -148928,9 +147369,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.214e-19 + Total alkalinity (eq/kg) = 6.473e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-16 + Electrical balance (eq) = 1.258e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -148965,7 +147406,6 @@ N(5) 4.536e-09 NO3- 4.536e-09 4.324e-09 -8.343 -8.364 -0.021 29.50 Na 1.673e-08 Na+ 1.673e-08 1.596e-08 -7.777 -7.797 -0.020 -1.46 - NaOH 1.597e-25 1.597e-25 -24.797 -24.797 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149026,9 +147466,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.042e-19 + Total alkalinity (eq/kg) = 4.244e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.574e-16 + Electrical balance (eq) = 2.559e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149063,7 +147503,6 @@ N(5) 8.173e-09 NO3- 8.173e-09 7.791e-09 -8.088 -8.108 -0.021 29.50 Na 3.022e-08 Na+ 3.022e-08 2.884e-08 -7.520 -7.540 -0.020 -1.46 - NaOH 2.884e-25 2.886e-25 -24.540 -24.540 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149124,9 +147563,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.693e-19 + Total alkalinity (eq/kg) = 5.177e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.248e-16 + Electrical balance (eq) = 4.253e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149161,7 +147600,6 @@ N(5) 1.597e-08 NO3- 1.597e-08 1.522e-08 -7.797 -7.818 -0.021 29.50 Na 5.932e-08 Na+ 5.932e-08 5.661e-08 -7.227 -7.247 -0.020 -1.46 - NaOH 5.661e-25 5.664e-25 -24.247 -24.247 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149222,9 +147660,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.073e-19 + Total alkalinity (eq/kg) = 1.062e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.938e-16 + Electrical balance (eq) = 5.944e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149259,7 +147697,6 @@ N(5) 2.961e-08 NO3- 2.961e-08 2.822e-08 -7.529 -7.549 -0.021 29.50 Na 1.108e-07 Na+ 1.108e-07 1.058e-07 -6.955 -6.976 -0.020 -1.46 - NaOH 1.058e-24 1.058e-24 -23.976 -23.975 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149320,7 +147757,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.817e-19 + Total alkalinity (eq/kg) = 1.009e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 7.867e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -149357,7 +147794,6 @@ N(5) 5.247e-08 NO3- 5.247e-08 5.002e-08 -7.280 -7.301 -0.021 29.50 Na 1.987e-07 Na+ 1.987e-07 1.896e-07 -6.702 -6.722 -0.020 -1.46 - NaOH 1.897e-24 1.897e-24 -23.722 -23.722 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149418,9 +147854,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.665e-19 + Total alkalinity (eq/kg) = 6.658e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.013e-15 + Electrical balance (eq) = 1.011e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149455,7 +147891,6 @@ N(5) 8.991e-08 NO3- 8.991e-08 8.572e-08 -7.046 -7.067 -0.021 29.50 Na 3.457e-07 Na+ 3.457e-07 3.299e-07 -6.461 -6.482 -0.020 -1.46 - NaOH 3.300e-24 3.301e-24 -23.482 -23.481 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149516,9 +147951,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.563e-19 + Total alkalinity (eq/kg) = 7.174e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.269e-15 + Electrical balance (eq) = 1.270e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149553,7 +147988,6 @@ N(5) 1.498e-07 NO3- 1.498e-07 1.428e-07 -6.824 -6.845 -0.021 29.50 Na 5.870e-07 Na+ 5.870e-07 5.602e-07 -6.231 -6.252 -0.020 -1.46 - NaOH 5.603e-24 5.605e-24 -23.252 -23.251 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149614,9 +148048,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.915e-19 + Total alkalinity (eq/kg) = 9.929e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.562e-15 + Electrical balance (eq) = 1.564e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149651,7 +148085,6 @@ N(5) 2.437e-07 NO3- 2.437e-07 2.323e-07 -6.613 -6.634 -0.021 29.50 Na 9.764e-07 Na+ 9.764e-07 9.318e-07 -6.010 -6.031 -0.020 -1.46 - NaOH 9.319e-24 9.323e-24 -23.031 -23.030 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149712,9 +148145,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.689e-19 + Total alkalinity (eq/kg) = 9.451e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.896e-15 + Electrical balance (eq) = 1.899e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149749,7 +148182,6 @@ N(5) 3.877e-07 NO3- 3.877e-07 3.696e-07 -6.412 -6.432 -0.021 29.50 Na 1.595e-06 Na+ 1.595e-06 1.522e-06 -5.797 -5.817 -0.020 -1.46 - NaOH 1.523e-23 1.523e-23 -22.817 -22.817 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149810,9 +148242,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.455e-19 + Total alkalinity (eq/kg) = 1.044e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.274e-15 + Electrical balance (eq) = 2.275e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149847,7 +148279,6 @@ N(5) 6.046e-07 NO3- 6.046e-07 5.764e-07 -6.219 -6.239 -0.021 29.50 Na 2.566e-06 Na+ 2.566e-06 2.449e-06 -5.591 -5.611 -0.020 -1.46 - NaOH 2.449e-23 2.450e-23 -22.611 -22.611 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -149908,9 +148339,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.078e-18 + Total alkalinity (eq/kg) = 3.902e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.700e-15 + Electrical balance (eq) = 2.701e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -149945,7 +148376,6 @@ N(5) 9.256e-07 NO3- 9.256e-07 8.825e-07 -6.034 -6.054 -0.021 29.50 Na 4.070e-06 Na+ 4.070e-06 3.884e-06 -5.390 -5.411 -0.020 -1.46 - NaOH 3.884e-23 3.886e-23 -22.411 -22.410 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150006,9 +148436,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.588e-19 + Total alkalinity (eq/kg) = -3.596e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.180e-15 + Electrical balance (eq) = 3.181e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150043,7 +148473,6 @@ N(5) 1.393e-06 NO3- 1.393e-06 1.328e-06 -5.856 -5.877 -0.021 29.50 Na 6.374e-06 Na+ 6.374e-06 6.084e-06 -5.196 -5.216 -0.020 -1.46 - NaOH 6.085e-23 6.087e-23 -22.216 -22.216 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150104,9 +148533,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.130e-19 + Total alkalinity (eq/kg) = 2.407e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.720e-15 + Electrical balance (eq) = 3.721e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150141,7 +148570,6 @@ N(5) 2.061e-06 NO3- 2.061e-06 1.965e-06 -5.686 -5.707 -0.021 29.50 Na 9.872e-06 Na+ 9.872e-06 9.423e-06 -5.006 -5.026 -0.020 -1.46 - NaOH 9.425e-23 9.429e-23 -22.026 -22.026 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150202,9 +148630,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.707e-19 + Total alkalinity (eq/kg) = -3.186e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.333e-15 + Electrical balance (eq) = 4.335e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150239,7 +148667,6 @@ N(5) 3.002e-06 NO3- 3.002e-06 2.863e-06 -5.523 -5.543 -0.021 29.50 Na 1.513e-05 Na+ 1.513e-05 1.445e-05 -4.820 -4.840 -0.020 -1.46 - NaOH 1.445e-22 1.446e-22 -21.840 -21.840 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150300,9 +148727,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.756e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.789e-19 + Total alkalinity (eq/kg) = -4.350e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.029e-15 + Electrical balance (eq) = 5.030e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150337,7 +148764,6 @@ N(5) 4.307e-06 NO3- 4.307e-06 4.108e-06 -5.366 -5.386 -0.021 29.50 Na 2.299e-05 Na+ 2.299e-05 2.195e-05 -4.639 -4.659 -0.020 -1.46 - NaOH 2.196e-22 2.197e-22 -21.658 -21.658 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150398,9 +148824,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.733e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.220e-19 + Total alkalinity (eq/kg) = 1.057e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.840e-15 + Electrical balance (eq) = 5.841e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150435,7 +148861,6 @@ N(5) 6.091e-06 NO3- 6.091e-06 5.811e-06 -5.215 -5.236 -0.020 29.50 Na 3.462e-05 Na+ 3.462e-05 3.307e-05 -4.461 -4.481 -0.020 -1.46 - NaOH 3.309e-22 3.310e-22 -21.480 -21.480 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150496,9 +148921,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.698e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.030e-19 + Total alkalinity (eq/kg) = 6.217e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.816e-15 + Electrical balance (eq) = 6.818e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150533,7 +148958,6 @@ N(5) 8.491e-06 NO3- 8.491e-06 8.105e-06 -5.071 -5.091 -0.020 29.50 Na 5.175e-05 Na+ 5.175e-05 4.945e-05 -4.286 -4.306 -0.020 -1.46 - NaOH 4.949e-22 4.951e-22 -21.305 -21.305 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150594,9 +149018,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.645e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.212e-20 + Total alkalinity (eq/kg) = 1.595e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.993e-15 + Electrical balance (eq) = 7.997e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150631,7 +149055,6 @@ N(5) 1.168e-05 NO3- 1.168e-05 1.115e-05 -4.933 -4.953 -0.020 29.50 Na 7.676e-05 Na+ 7.676e-05 7.339e-05 -4.115 -4.134 -0.019 -1.46 - NaOH 7.348e-22 7.351e-22 -21.134 -21.134 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150692,9 +149115,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.570e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.802e-19 + Total alkalinity (eq/kg) = 9.675e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.214e-15 + Electrical balance (eq) = 9.218e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150729,7 +149152,6 @@ N(5) 1.584e-05 NO3- 1.584e-05 1.515e-05 -4.800 -4.820 -0.019 29.50 Na 1.128e-04 Na+ 1.128e-04 1.080e-04 -3.948 -3.967 -0.019 -1.47 - NaOH 1.082e-21 1.082e-21 -20.966 -20.966 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150790,9 +149212,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.468e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.859e-20 + Total alkalinity (eq/kg) = 7.638e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.656e-15 + Electrical balance (eq) = 9.659e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -150827,7 +149249,6 @@ N(5) 2.121e-05 NO3- 2.121e-05 2.031e-05 -4.673 -4.692 -0.019 29.50 Na 1.634e-04 Na+ 1.634e-04 1.566e-04 -3.787 -3.805 -0.018 -1.47 - NaOH 1.570e-21 1.570e-21 -20.804 -20.804 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150888,9 +149309,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.343e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.963e-19 + Total alkalinity (eq/kg) = 1.445e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.003e-14 + Electrical balance (eq) = 1.004e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -150925,7 +149346,6 @@ N(5) 2.805e-05 NO3- 2.805e-05 2.691e-05 -4.552 -4.570 -0.018 29.49 Na 2.305e-04 Na+ 2.305e-04 2.213e-04 -3.637 -3.655 -0.018 -1.47 - NaOH 2.221e-21 2.222e-21 -20.653 -20.653 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -150986,9 +149406,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.206e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.748e-19 + Total alkalinity (eq/kg) = 5.387e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.023e-14 + Electrical balance (eq) = 1.024e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -151023,7 +149443,6 @@ N(5) 3.662e-05 NO3- 3.662e-05 3.520e-05 -4.436 -4.453 -0.017 29.49 Na 3.132e-04 Na+ 3.132e-04 3.013e-04 -3.504 -3.521 -0.017 -1.47 - NaOH 3.027e-21 3.028e-21 -20.519 -20.519 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -151084,7 +149503,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.938e-20 + Total alkalinity (eq/kg) = 5.539e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.024e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -151121,7 +149540,6 @@ N(5) 4.723e-05 NO3- 4.723e-05 4.541e-05 -4.326 -4.343 -0.017 29.49 Na 3.920e-04 Na+ 3.920e-04 3.771e-04 -3.407 -3.424 -0.017 -1.47 - NaOH 3.789e-21 3.790e-21 -20.421 -20.421 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -151182,7 +149600,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.621e-19 + Total alkalinity (eq/kg) = -3.970e-22 Temperature (°C) = 25.00 Electrical balance (eq) = 1.015e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -151219,7 +149637,6 @@ N(5) 6.018e-05 NO3- 6.018e-05 5.786e-05 -4.221 -4.238 -0.017 29.49 Na 4.796e-04 Na+ 4.796e-04 4.614e-04 -3.319 -3.336 -0.017 -1.47 - NaOH 4.636e-21 4.638e-21 -20.334 -20.334 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -151280,9 +149697,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.719e-19 + Total alkalinity (eq/kg) = 7.264e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.963e-15 + Electrical balance (eq) = 9.966e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -151317,7 +149734,6 @@ N(5) 7.579e-05 NO3- 7.579e-05 7.286e-05 -4.120 -4.138 -0.017 29.49 Na 5.725e-04 Na+ 5.725e-04 5.508e-04 -3.242 -3.259 -0.017 -1.47 - NaOH 5.535e-21 5.536e-21 -20.257 -20.257 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -151378,9 +149794,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.517e-19 + Total alkalinity (eq/kg) = 1.225e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.678e-15 + Electrical balance (eq) = 9.681e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -151415,7 +149831,6 @@ N(5) 9.433e-05 NO3- 9.433e-05 9.070e-05 -4.025 -4.042 -0.017 29.49 Na 6.658e-04 Na+ 6.658e-04 6.405e-04 -3.177 -3.193 -0.017 -1.47 - NaOH 6.436e-21 6.438e-21 -20.191 -20.191 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -151476,9 +149891,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.484e-19 + Total alkalinity (eq/kg) = 4.492e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.297e-15 + Electrical balance (eq) = 9.302e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -151513,7 +149928,6 @@ N(5) 1.161e-04 NO3- 1.161e-04 1.116e-04 -3.935 -3.952 -0.017 29.49 Na 7.534e-04 Na+ 7.534e-04 7.248e-04 -3.123 -3.140 -0.017 -1.47 - NaOH 7.283e-21 7.285e-21 -20.138 -20.138 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -151574,9 +149988,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.935e-19 + Total alkalinity (eq/kg) = 4.291e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.837e-15 + Electrical balance (eq) = 8.843e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -151611,7 +150025,6 @@ N(5) 1.413e-04 NO3- 1.413e-04 1.358e-04 -3.850 -3.867 -0.017 29.49 Na 8.293e-04 Na+ 8.293e-04 7.979e-04 -3.081 -3.098 -0.017 -1.47 - NaOH 8.017e-21 8.019e-21 -20.096 -20.096 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -151672,9 +150085,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.221e-19 + Total alkalinity (eq/kg) = 2.761e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.321e-15 + Electrical balance (eq) = 8.324e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -151709,7 +150122,6 @@ N(5) 1.701e-04 NO3- 1.701e-04 1.635e-04 -3.769 -3.786 -0.017 29.49 Na 8.894e-04 Na+ 8.894e-04 8.556e-04 -3.051 -3.068 -0.017 -1.47 - NaOH 8.598e-21 8.600e-21 -20.066 -20.066 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -151768,9 +150180,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.924e-20 + Total alkalinity (eq/kg) = -6.525e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.749e-15 + Electrical balance (eq) = 7.753e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -151802,7 +150214,6 @@ N(5) 2.026e-04 NO3- 2.026e-04 1.948e-04 -3.693 -3.710 -0.017 29.49 Na 9.324e-04 Na+ 9.324e-04 8.971e-04 -3.030 -3.047 -0.017 -1.47 - NaOH 9.014e-21 9.016e-21 -20.045 -20.045 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -151861,9 +150272,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.364e-19 + Total alkalinity (eq/kg) = -3.180e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.112e-15 + Electrical balance (eq) = 7.116e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -151895,7 +150306,6 @@ N(5) 2.388e-04 NO3- 2.388e-04 2.295e-04 -3.622 -3.639 -0.017 29.49 Na 9.607e-04 Na+ 9.607e-04 9.243e-04 -3.017 -3.034 -0.017 -1.47 - NaOH 9.288e-21 9.290e-21 -20.032 -20.032 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -151954,9 +150364,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.768e-19 + Total alkalinity (eq/kg) = 6.735e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.403e-15 + Electrical balance (eq) = 6.406e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -151988,7 +150398,6 @@ N(5) 2.785e-04 NO3- 2.785e-04 2.678e-04 -3.555 -3.572 -0.017 29.49 Na 9.780e-04 Na+ 9.780e-04 9.410e-04 -3.010 -3.026 -0.017 -1.47 - NaOH 9.455e-21 9.457e-21 -20.024 -20.024 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152047,9 +150456,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.290e-19 + Total alkalinity (eq/kg) = 1.074e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.653e-15 + Electrical balance (eq) = 5.654e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152081,7 +150490,6 @@ N(5) 3.217e-04 NO3- 3.217e-04 3.092e-04 -3.493 -3.510 -0.017 29.49 Na 9.881e-04 Na+ 9.881e-04 9.506e-04 -3.005 -3.022 -0.017 -1.47 - NaOH 9.552e-21 9.554e-21 -20.020 -20.020 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152140,9 +150548,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.959e-20 + Total alkalinity (eq/kg) = 2.965e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.910e-15 + Electrical balance (eq) = 4.912e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152174,7 +150582,6 @@ N(5) 3.678e-04 NO3- 3.678e-04 3.536e-04 -3.434 -3.451 -0.017 29.49 Na 9.937e-04 Na+ 9.937e-04 9.560e-04 -3.003 -3.020 -0.017 -1.47 - NaOH 9.606e-21 9.608e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152233,7 +150640,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.333e-19 + Total alkalinity (eq/kg) = 5.897e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.208e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -152267,7 +150674,6 @@ N(5) 4.165e-04 NO3- 4.165e-04 4.005e-04 -3.380 -3.397 -0.017 29.49 Na 9.967e-04 Na+ 9.967e-04 9.589e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.635e-21 9.637e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152326,9 +150732,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.154e-19 + Total alkalinity (eq/kg) = 3.534e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.548e-15 + Electrical balance (eq) = 3.547e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152360,7 +150766,6 @@ N(5) 4.670e-04 NO3- 4.670e-04 4.489e-04 -3.331 -3.348 -0.017 29.49 Na 9.983e-04 Na+ 9.983e-04 9.605e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.650e-21 9.653e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152419,9 +150824,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.970e-19 + Total alkalinity (eq/kg) = 1.641e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.915e-15 + Electrical balance (eq) = 2.914e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152453,7 +150858,6 @@ N(5) 5.177e-04 NO3- 5.177e-04 4.977e-04 -3.286 -3.303 -0.017 29.49 Na 9.991e-04 Na+ 9.991e-04 9.613e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.658e-21 9.661e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152512,9 +150916,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.223e-18 + Total alkalinity (eq/kg) = 2.205e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.322e-15 + Electrical balance (eq) = 2.320e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152546,7 +150950,6 @@ N(5) 5.657e-04 NO3- 5.657e-04 5.439e-04 -3.247 -3.265 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.662e-21 9.665e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152605,9 +151008,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.585e-18 + Total alkalinity (eq/kg) = 3.048e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.833e-15 + Electrical balance (eq) = 1.831e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152639,7 +151042,6 @@ N(5) 6.051e-04 NO3- 6.051e-04 5.818e-04 -3.218 -3.235 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152698,9 +151100,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.380e-18 + Total alkalinity (eq/kg) = 3.143e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.550e-15 + Electrical balance (eq) = 1.549e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152732,7 +151134,6 @@ N(5) 6.279e-04 NO3- 6.279e-04 6.037e-04 -3.202 -3.219 -0.017 29.49 Na 9.999e-04 Na+ 9.999e-04 9.620e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.665e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152772,7 +151173,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -152803,7 +151204,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -152930,9 +151330,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.922e-19 + Total alkalinity (eq/kg) = 7.656e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.038e-16 + Electrical balance (eq) = 1.053e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -152967,7 +151367,6 @@ N(5) 3.451e-09 NO3- 3.451e-09 3.290e-09 -8.462 -8.483 -0.021 29.50 Na 1.291e-08 Na+ 1.291e-08 1.232e-08 -7.889 -7.909 -0.020 -1.46 - NaOH 1.232e-25 1.233e-25 -24.909 -24.909 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153028,9 +151427,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.778e-19 + Total alkalinity (eq/kg) = 7.091e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.093e-16 + Electrical balance (eq) = 2.099e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153065,7 +151464,6 @@ N(5) 6.223e-09 NO3- 6.223e-09 5.932e-09 -8.206 -8.227 -0.021 29.50 Na 2.334e-08 Na+ 2.334e-08 2.227e-08 -7.632 -7.652 -0.020 -1.46 - NaOH 2.228e-25 2.228e-25 -24.652 -24.652 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153126,9 +151524,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.934e-19 + Total alkalinity (eq/kg) = 1.050e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.489e-16 + Electrical balance (eq) = 3.501e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153163,7 +151561,6 @@ N(5) 1.217e-08 NO3- 1.217e-08 1.160e-08 -7.915 -7.935 -0.021 29.50 Na 4.585e-08 Na+ 4.585e-08 4.375e-08 -7.339 -7.359 -0.020 -1.46 - NaOH 4.375e-25 4.377e-25 -24.359 -24.359 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153224,9 +151621,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.883e-19 + Total alkalinity (eq/kg) = 1.430e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.920e-16 + Electrical balance (eq) = 4.909e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153261,7 +151658,6 @@ N(5) 2.259e-08 NO3- 2.259e-08 2.154e-08 -7.646 -7.667 -0.021 29.50 Na 8.575e-08 Na+ 8.575e-08 8.183e-08 -7.067 -7.087 -0.020 -1.46 - NaOH 8.184e-25 8.187e-25 -24.087 -24.087 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153322,9 +151718,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.159e-18 + Total alkalinity (eq/kg) = 1.443e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.552e-16 + Electrical balance (eq) = 6.549e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153359,7 +151755,6 @@ N(5) 4.011e-08 NO3- 4.011e-08 3.823e-08 -7.397 -7.418 -0.021 29.50 Na 1.539e-07 Na+ 1.539e-07 1.469e-07 -6.813 -6.833 -0.020 -1.46 - NaOH 1.469e-24 1.469e-24 -23.833 -23.833 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153420,9 +151815,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.864e-19 + Total alkalinity (eq/kg) = 4.839e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.498e-16 + Electrical balance (eq) = 8.487e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153457,7 +151852,6 @@ N(5) 6.886e-08 NO3- 6.886e-08 6.565e-08 -7.162 -7.183 -0.021 29.50 Na 2.681e-07 Na+ 2.681e-07 2.558e-07 -6.572 -6.592 -0.020 -1.46 - NaOH 2.559e-24 2.560e-24 -23.592 -23.592 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153518,9 +151912,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.696e-19 + Total alkalinity (eq/kg) = 9.598e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-15 + Electrical balance (eq) = 1.074e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153555,7 +151949,6 @@ N(5) 1.150e-07 NO3- 1.150e-07 1.096e-07 -6.939 -6.960 -0.021 29.50 Na 4.559e-07 Na+ 4.559e-07 4.351e-07 -6.341 -6.361 -0.020 -1.46 - NaOH 4.351e-24 4.353e-24 -23.361 -23.361 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153616,9 +152009,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.808e-20 + Total alkalinity (eq/kg) = 7.822e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.335e-15 + Electrical balance (eq) = 1.333e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153653,7 +152046,6 @@ N(5) 1.875e-07 NO3- 1.875e-07 1.787e-07 -6.727 -6.748 -0.021 29.50 Na 7.595e-07 Na+ 7.595e-07 7.248e-07 -6.119 -6.140 -0.020 -1.46 - NaOH 7.249e-24 7.252e-24 -23.140 -23.140 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153714,7 +152106,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.012e-19 + Total alkalinity (eq/kg) = 4.819e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.632e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -153751,7 +152143,6 @@ N(5) 2.991e-07 NO3- 2.991e-07 2.851e-07 -6.524 -6.545 -0.021 29.50 Na 1.243e-06 Na+ 1.243e-06 1.186e-06 -5.906 -5.926 -0.020 -1.46 - NaOH 1.186e-23 1.187e-23 -22.926 -22.926 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153812,9 +152203,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.796e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.083e-19 + Total alkalinity (eq/kg) = 5.610e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.970e-15 + Electrical balance (eq) = 1.972e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153849,7 +152240,6 @@ N(5) 4.678e-07 NO3- 4.678e-07 4.459e-07 -6.330 -6.351 -0.021 29.50 Na 2.003e-06 Na+ 2.003e-06 1.911e-06 -5.698 -5.719 -0.020 -1.46 - NaOH 1.912e-23 1.913e-23 -22.719 -22.718 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -153910,9 +152300,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.794e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.860e-19 + Total alkalinity (eq/kg) = 1.344e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.353e-15 + Electrical balance (eq) = 2.356e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -153947,7 +152337,6 @@ N(5) 7.183e-07 NO3- 7.183e-07 6.848e-07 -6.144 -6.164 -0.021 29.50 Na 3.183e-06 Na+ 3.183e-06 3.038e-06 -5.497 -5.517 -0.020 -1.46 - NaOH 3.038e-23 3.039e-23 -22.517 -22.517 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154008,9 +152397,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.791e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.564e-19 + Total alkalinity (eq/kg) = 5.015e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.792e-15 + Electrical balance (eq) = 2.793e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -154045,7 +152434,6 @@ N(5) 1.084e-06 NO3- 1.084e-06 1.034e-06 -5.965 -5.986 -0.021 29.50 Na 4.996e-06 Na+ 4.996e-06 4.768e-06 -5.301 -5.322 -0.020 -1.46 - NaOH 4.769e-23 4.771e-23 -22.322 -22.321 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154106,7 +152494,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.786e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.060e-19 + Total alkalinity (eq/kg) = 1.171e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.286e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -154143,7 +152531,6 @@ N(5) 1.611e-06 NO3- 1.611e-06 1.536e-06 -5.793 -5.814 -0.021 29.50 Na 7.753e-06 Na+ 7.753e-06 7.400e-06 -5.111 -5.131 -0.020 -1.46 - NaOH 7.401e-23 7.404e-23 -22.131 -22.131 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154204,7 +152591,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.777e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.096e-19 + Total alkalinity (eq/kg) = 2.248e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.843e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -154241,7 +152628,6 @@ N(5) 2.355e-06 NO3- 2.355e-06 2.246e-06 -5.628 -5.649 -0.021 29.50 Na 1.191e-05 Na+ 1.191e-05 1.137e-05 -4.924 -4.944 -0.020 -1.46 - NaOH 1.137e-22 1.138e-22 -21.944 -21.944 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154302,7 +152688,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.765e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.261e-19 + Total alkalinity (eq/kg) = 4.101e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.479e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -154339,7 +152725,6 @@ N(5) 3.394e-06 NO3- 3.394e-06 3.237e-06 -5.469 -5.490 -0.021 29.50 Na 1.813e-05 Na+ 1.813e-05 1.731e-05 -4.742 -4.762 -0.020 -1.46 - NaOH 1.732e-22 1.732e-22 -21.762 -21.761 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154400,7 +152785,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.746e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.498e-19 + Total alkalinity (eq/kg) = -1.898e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.213e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -154437,7 +152822,6 @@ N(5) 4.820e-06 NO3- 4.820e-06 4.598e-06 -5.317 -5.337 -0.020 29.50 Na 2.737e-05 Na+ 2.737e-05 2.613e-05 -4.563 -4.583 -0.020 -1.46 - NaOH 2.615e-22 2.616e-22 -21.583 -21.582 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154498,7 +152882,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.718e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.035e-19 + Total alkalinity (eq/kg) = 3.990e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.075e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -154535,7 +152919,6 @@ N(5) 6.750e-06 NO3- 6.750e-06 6.442e-06 -5.171 -5.191 -0.020 29.50 Na 4.099e-05 Na+ 4.099e-05 3.915e-05 -4.387 -4.407 -0.020 -1.46 - NaOH 3.918e-22 3.920e-22 -21.407 -21.407 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154596,7 +152979,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.675e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.028e-19 + Total alkalinity (eq/kg) = 2.460e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 7.126e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -154633,7 +153016,6 @@ N(5) 9.327e-06 NO3- 9.327e-06 8.906e-06 -5.030 -5.050 -0.020 29.50 Na 6.094e-05 Na+ 6.094e-05 5.824e-05 -4.215 -4.235 -0.020 -1.46 - NaOH 5.830e-22 5.833e-22 -21.234 -21.234 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154694,9 +153076,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.612e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.153e-19 + Total alkalinity (eq/kg) = 9.398e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.473e-15 + Electrical balance (eq) = 8.477e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -154731,7 +153113,6 @@ N(5) 1.272e-05 NO3- 1.272e-05 1.215e-05 -4.896 -4.915 -0.020 29.50 Na 9.003e-05 Na+ 9.003e-05 8.612e-05 -4.046 -4.065 -0.019 -1.47 - NaOH 8.625e-22 8.628e-22 -21.064 -21.064 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154792,9 +153173,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.521e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.225e-19 + Total alkalinity (eq/kg) = 1.377e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.790e-15 + Electrical balance (eq) = 9.793e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -154829,7 +153210,6 @@ N(5) 1.712e-05 NO3- 1.712e-05 1.638e-05 -4.766 -4.786 -0.019 29.50 Na 1.318e-04 Na+ 1.318e-04 1.262e-04 -3.880 -3.899 -0.019 -1.47 - NaOH 1.265e-21 1.266e-21 -20.898 -20.898 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154890,9 +153270,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.402e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.480e-19 + Total alkalinity (eq/kg) = 1.450e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.838e-15 + Electrical balance (eq) = 9.839e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -154927,7 +153307,6 @@ N(5) 2.276e-05 NO3- 2.276e-05 2.181e-05 -4.643 -4.661 -0.018 29.49 Na 1.889e-04 Na+ 1.889e-04 1.812e-04 -3.724 -3.742 -0.018 -1.47 - NaOH 1.818e-21 1.818e-21 -20.740 -20.740 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -154988,7 +153367,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.278e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.964e-20 + Total alkalinity (eq/kg) = 1.265e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.017e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -155025,7 +153404,6 @@ N(5) 2.988e-05 NO3- 2.988e-05 2.869e-05 -4.525 -4.542 -0.018 29.49 Na 2.604e-04 Na+ 2.604e-04 2.502e-04 -3.584 -3.602 -0.017 -1.47 - NaOH 2.513e-21 2.513e-21 -20.600 -20.600 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -155086,7 +153464,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.076e-19 + Total alkalinity (eq/kg) = 1.069e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 1.008e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -155123,7 +153501,6 @@ N(5) 3.876e-05 NO3- 3.876e-05 3.727e-05 -4.412 -4.429 -0.017 29.49 Na 3.405e-04 Na+ 3.405e-04 3.276e-04 -3.468 -3.485 -0.017 -1.47 - NaOH 3.291e-21 3.292e-21 -20.483 -20.483 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -155184,7 +153561,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.575e-19 + Total alkalinity (eq/kg) = 7.429e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.012e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -155221,7 +153598,6 @@ N(5) 4.969e-05 NO3- 4.969e-05 4.777e-05 -4.304 -4.321 -0.017 29.49 Na 4.220e-04 Na+ 4.220e-04 4.060e-04 -3.375 -3.391 -0.017 -1.47 - NaOH 4.080e-21 4.081e-21 -20.389 -20.389 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -155282,9 +153658,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.453e-19 + Total alkalinity (eq/kg) = 5.176e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.004e-14 + Electrical balance (eq) = 1.005e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -155319,7 +153695,6 @@ N(5) 6.296e-05 NO3- 6.296e-05 6.053e-05 -4.201 -4.218 -0.017 29.49 Na 5.115e-04 Na+ 5.115e-04 4.921e-04 -3.291 -3.308 -0.017 -1.47 - NaOH 4.945e-21 4.946e-21 -20.306 -20.306 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -155380,9 +153755,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.640e-19 + Total alkalinity (eq/kg) = 5.800e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.860e-15 + Electrical balance (eq) = 9.864e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -155417,7 +153792,6 @@ N(5) 7.887e-05 NO3- 7.887e-05 7.582e-05 -4.103 -4.120 -0.017 29.49 Na 6.046e-04 Na+ 6.046e-04 5.817e-04 -3.219 -3.235 -0.017 -1.47 - NaOH 5.845e-21 5.847e-21 -20.233 -20.233 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -155478,9 +153852,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.608e-19 + Total alkalinity (eq/kg) = 1.923e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.582e-15 + Electrical balance (eq) = 9.586e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -155515,7 +153889,6 @@ N(5) 9.769e-05 NO3- 9.769e-05 9.392e-05 -4.010 -4.027 -0.017 29.49 Na 6.962e-04 Na+ 6.962e-04 6.698e-04 -3.157 -3.174 -0.017 -1.47 - NaOH 6.730e-21 6.732e-21 -20.172 -20.172 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -155576,9 +153949,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.561e-19 + Total alkalinity (eq/kg) = 6.338e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.216e-15 + Electrical balance (eq) = 9.220e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -155613,7 +153986,6 @@ N(5) 1.197e-04 NO3- 1.197e-04 1.151e-04 -3.922 -3.939 -0.017 29.49 Na 7.801e-04 Na+ 7.801e-04 7.505e-04 -3.108 -3.125 -0.017 -1.47 - NaOH 7.541e-21 7.544e-21 -20.123 -20.122 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -155674,9 +154046,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.606e-19 + Total alkalinity (eq/kg) = -2.442e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.774e-15 + Electrical balance (eq) = 8.780e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -155711,7 +154083,6 @@ N(5) 1.450e-04 NO3- 1.450e-04 1.394e-04 -3.838 -3.856 -0.017 29.49 Na 8.508e-04 Na+ 8.508e-04 8.185e-04 -3.070 -3.087 -0.017 -1.47 - NaOH 8.225e-21 8.227e-21 -20.085 -20.085 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -155772,9 +154143,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.836e-19 + Total alkalinity (eq/kg) = -1.313e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.271e-15 + Electrical balance (eq) = 8.275e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -155809,7 +154180,6 @@ N(5) 1.739e-04 NO3- 1.739e-04 1.672e-04 -3.760 -3.777 -0.017 29.49 Na 9.050e-04 Na+ 9.050e-04 8.707e-04 -3.043 -3.060 -0.017 -1.47 - NaOH 8.749e-21 8.751e-21 -20.058 -20.058 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -155868,9 +154238,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.459e-19 + Total alkalinity (eq/kg) = -4.307e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.706e-15 + Electrical balance (eq) = 7.711e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -155902,7 +154272,6 @@ N(5) 2.064e-04 NO3- 2.064e-04 1.984e-04 -3.685 -3.702 -0.017 29.49 Na 9.428e-04 Na+ 9.428e-04 9.071e-04 -3.026 -3.042 -0.017 -1.47 - NaOH 9.114e-21 9.117e-21 -20.040 -20.040 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -155961,9 +154330,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.204e-19 + Total alkalinity (eq/kg) = -2.823e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.076e-15 + Electrical balance (eq) = 7.081e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -155995,7 +154364,6 @@ N(5) 2.425e-04 NO3- 2.425e-04 2.331e-04 -3.615 -3.632 -0.017 29.49 Na 9.671e-04 Na+ 9.671e-04 9.304e-04 -3.015 -3.031 -0.017 -1.47 - NaOH 9.349e-21 9.352e-21 -20.029 -20.029 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156054,9 +154422,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.998e-19 + Total alkalinity (eq/kg) = -3.545e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.389e-15 + Electrical balance (eq) = 6.393e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156088,7 +154456,6 @@ N(5) 2.820e-04 NO3- 2.820e-04 2.711e-04 -3.550 -3.567 -0.017 29.49 Na 9.817e-04 Na+ 9.817e-04 9.445e-04 -3.008 -3.025 -0.017 -1.47 - NaOH 9.490e-21 9.493e-21 -20.023 -20.023 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156147,9 +154514,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.723e-19 + Total alkalinity (eq/kg) = 1.998e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.668e-15 + Electrical balance (eq) = 5.671e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156181,7 +154548,6 @@ N(5) 3.248e-04 NO3- 3.248e-04 3.122e-04 -3.488 -3.506 -0.017 29.49 Na 9.901e-04 Na+ 9.901e-04 9.526e-04 -3.004 -3.021 -0.017 -1.47 - NaOH 9.571e-21 9.574e-21 -20.019 -20.019 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156240,9 +154606,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.897e-19 + Total alkalinity (eq/kg) = 3.265e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.950e-15 + Electrical balance (eq) = 4.951e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156274,7 +154640,6 @@ N(5) 3.703e-04 NO3- 3.703e-04 3.561e-04 -3.431 -3.448 -0.017 29.49 Na 9.948e-04 Na+ 9.948e-04 9.570e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.616e-21 9.619e-21 -20.017 -20.017 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156333,7 +154698,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.486e-19 + Total alkalinity (eq/kg) = 4.877e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.263e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -156367,7 +154732,6 @@ N(5) 4.180e-04 NO3- 4.180e-04 4.019e-04 -3.379 -3.396 -0.017 29.49 Na 9.973e-04 Na+ 9.973e-04 9.595e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.640e-21 9.643e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156426,9 +154790,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.809e-19 + Total alkalinity (eq/kg) = 8.813e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.619e-15 + Electrical balance (eq) = 3.617e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156460,7 +154824,6 @@ N(5) 4.665e-04 NO3- 4.665e-04 4.485e-04 -3.331 -3.348 -0.017 29.49 Na 9.986e-04 Na+ 9.986e-04 9.607e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.653e-21 9.656e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156519,9 +154882,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.971e-19 + Total alkalinity (eq/kg) = 1.670e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.026e-15 + Electrical balance (eq) = 3.025e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156553,7 +154916,6 @@ N(5) 5.127e-04 NO3- 5.127e-04 4.929e-04 -3.290 -3.307 -0.017 29.49 Na 9.993e-04 Na+ 9.993e-04 9.614e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.660e-21 9.662e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156612,9 +154974,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.671e-19 + Total alkalinity (eq/kg) = 1.949e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.539e-15 + Electrical balance (eq) = 2.538e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156646,7 +155008,6 @@ N(5) 5.509e-04 NO3- 5.509e-04 5.296e-04 -3.259 -3.276 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156705,9 +155066,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.441e-19 + Total alkalinity (eq/kg) = 2.001e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.253e-15 + Electrical balance (eq) = 2.252e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156739,7 +155100,6 @@ N(5) 5.731e-04 NO3- 5.731e-04 5.510e-04 -3.242 -3.259 -0.017 29.49 Na 9.998e-04 Na+ 9.998e-04 9.619e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.664e-21 9.667e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156779,7 +155139,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -156810,7 +155170,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -156937,9 +155296,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.955e-19 + Total alkalinity (eq/kg) = -6.941e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.610e-17 + Electrical balance (eq) = 8.500e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -156974,7 +155333,6 @@ N(5) 2.628e-09 NO3- 2.628e-09 2.505e-09 -8.580 -8.601 -0.021 29.50 Na 9.972e-09 Na+ 9.972e-09 9.516e-09 -8.001 -8.022 -0.020 -1.46 - NaOH 9.517e-26 9.521e-26 -25.022 -25.021 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157035,9 +155393,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -7.706e-19 + Total alkalinity (eq/kg) = -1.233e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.732e-16 + Electrical balance (eq) = 1.713e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157072,7 +155430,6 @@ N(5) 4.741e-09 NO3- 4.741e-09 4.520e-09 -8.324 -8.345 -0.021 29.50 Na 1.803e-08 Na+ 1.803e-08 1.721e-08 -7.744 -7.764 -0.020 -1.46 - NaOH 1.721e-25 1.722e-25 -24.764 -24.764 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157133,9 +155490,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.170e-19 + Total alkalinity (eq/kg) = 5.299e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.879e-16 + Electrical balance (eq) = 2.878e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157170,7 +155527,6 @@ N(5) 9.282e-09 NO3- 9.282e-09 8.849e-09 -8.032 -8.053 -0.021 29.50 Na 3.545e-08 Na+ 3.545e-08 3.383e-08 -7.450 -7.471 -0.020 -1.46 - NaOH 3.383e-25 3.385e-25 -24.471 -24.470 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157231,9 +155587,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.529e-19 + Total alkalinity (eq/kg) = 1.029e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.048e-16 + Electrical balance (eq) = 4.046e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157268,7 +155624,6 @@ N(5) 1.725e-08 NO3- 1.725e-08 1.645e-08 -7.763 -7.784 -0.021 29.50 Na 6.637e-08 Na+ 6.637e-08 6.333e-08 -7.178 -7.198 -0.020 -1.46 - NaOH 6.334e-25 6.337e-25 -24.198 -24.198 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157329,9 +155684,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.728e-19 + Total alkalinity (eq/kg) = 8.130e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.434e-16 + Electrical balance (eq) = 5.433e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157366,7 +155721,6 @@ N(5) 3.067e-08 NO3- 3.067e-08 2.924e-08 -7.513 -7.534 -0.021 29.50 Na 1.192e-07 Na+ 1.192e-07 1.138e-07 -6.924 -6.944 -0.020 -1.46 - NaOH 1.138e-24 1.138e-24 -23.944 -23.944 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157427,9 +155781,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.231e-19 + Total alkalinity (eq/kg) = 4.324e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.101e-16 + Electrical balance (eq) = 7.094e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157464,7 +155818,6 @@ N(5) 5.276e-08 NO3- 5.276e-08 5.029e-08 -7.278 -7.298 -0.021 29.50 Na 2.080e-07 Na+ 2.080e-07 1.985e-07 -6.682 -6.702 -0.020 -1.46 - NaOH 1.985e-24 1.986e-24 -23.702 -23.702 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157525,9 +155878,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.116e-19 + Total alkalinity (eq/kg) = 1.031e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.069e-16 + Electrical balance (eq) = 9.041e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157562,7 +155915,6 @@ N(5) 8.829e-08 NO3- 8.829e-08 8.417e-08 -7.054 -7.075 -0.021 29.50 Na 3.542e-07 Na+ 3.542e-07 3.380e-07 -6.451 -6.471 -0.020 -1.46 - NaOH 3.380e-24 3.382e-24 -23.471 -23.471 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157623,9 +155975,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.308e-19 + Total alkalinity (eq/kg) = 1.274e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.133e-15 + Electrical balance (eq) = 1.132e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157660,7 +156012,6 @@ N(5) 1.443e-07 NO3- 1.443e-07 1.375e-07 -6.841 -6.862 -0.021 29.50 Na 5.909e-07 Na+ 5.909e-07 5.639e-07 -6.228 -6.249 -0.020 -1.46 - NaOH 5.640e-24 5.642e-24 -23.249 -23.249 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157721,9 +156072,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.389e-19 + Total alkalinity (eq/kg) = 8.125e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.397e-15 + Electrical balance (eq) = 1.396e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157758,7 +156109,6 @@ N(5) 2.307e-07 NO3- 2.307e-07 2.199e-07 -6.637 -6.658 -0.021 29.50 Na 9.687e-07 Na+ 9.687e-07 9.245e-07 -6.014 -6.034 -0.020 -1.46 - NaOH 9.246e-24 9.250e-24 -23.034 -23.034 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157819,9 +156169,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.797e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.146e-19 + Total alkalinity (eq/kg) = 2.197e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.699e-15 + Electrical balance (eq) = 1.698e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157856,7 +156206,6 @@ N(5) 3.619e-07 NO3- 3.619e-07 3.450e-07 -6.441 -6.462 -0.021 29.50 Na 1.564e-06 Na+ 1.564e-06 1.492e-06 -5.806 -5.826 -0.020 -1.46 - NaOH 1.492e-23 1.493e-23 -22.826 -22.826 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -157917,9 +156266,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.795e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.180e-19 + Total alkalinity (eq/kg) = 9.693e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.044e-15 + Electrical balance (eq) = 2.047e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -157954,7 +156303,6 @@ N(5) 5.574e-07 NO3- 5.574e-07 5.314e-07 -6.254 -6.275 -0.021 29.50 Na 2.489e-06 Na+ 2.489e-06 2.376e-06 -5.604 -5.624 -0.020 -1.46 - NaOH 2.376e-23 2.377e-23 -22.624 -22.624 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158015,9 +156363,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.793e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.221e-20 + Total alkalinity (eq/kg) = -8.625e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.438e-15 + Electrical balance (eq) = 2.439e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158052,7 +156400,6 @@ N(5) 8.442e-07 NO3- 8.442e-07 8.049e-07 -6.074 -6.094 -0.021 29.50 Na 3.915e-06 Na+ 3.915e-06 3.736e-06 -5.407 -5.428 -0.020 -1.46 - NaOH 3.737e-23 3.738e-23 -22.428 -22.427 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158113,9 +156460,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.788e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.773e-19 + Total alkalinity (eq/kg) = -1.265e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.884e-15 + Electrical balance (eq) = 2.887e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158150,7 +156497,6 @@ N(5) 1.258e-06 NO3- 1.258e-06 1.200e-06 -5.900 -5.921 -0.021 29.50 Na 6.087e-06 Na+ 6.087e-06 5.810e-06 -5.216 -5.236 -0.020 -1.46 - NaOH 5.811e-23 5.813e-23 -22.236 -22.236 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158211,9 +156557,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.573e-19 + Total alkalinity (eq/kg) = 5.927e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.393e-15 + Electrical balance (eq) = 3.394e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158248,7 +156594,6 @@ N(5) 1.847e-06 NO3- 1.847e-06 1.761e-06 -5.734 -5.754 -0.021 29.50 Na 9.370e-06 Na+ 9.370e-06 8.944e-06 -5.028 -5.048 -0.020 -1.46 - NaOH 8.946e-23 8.950e-23 -22.048 -22.048 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158309,9 +156654,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.642e-19 + Total alkalinity (eq/kg) = 4.684e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.972e-15 + Electrical balance (eq) = 3.973e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158346,7 +156691,6 @@ N(5) 2.672e-06 NO3- 2.672e-06 2.548e-06 -5.573 -5.594 -0.021 29.50 Na 1.429e-05 Na+ 1.429e-05 1.364e-05 -4.845 -4.865 -0.020 -1.46 - NaOH 1.365e-22 1.365e-22 -21.865 -21.865 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158407,9 +156751,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.757e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.080e-18 + Total alkalinity (eq/kg) = 3.897e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.638e-15 + Electrical balance (eq) = 4.637e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158444,7 +156788,6 @@ N(5) 3.810e-06 NO3- 3.810e-06 3.634e-06 -5.419 -5.440 -0.021 29.50 Na 2.162e-05 Na+ 2.162e-05 2.064e-05 -4.665 -4.685 -0.020 -1.46 - NaOH 2.065e-22 2.066e-22 -21.685 -21.685 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158505,7 +156848,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.734e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.705e-19 + Total alkalinity (eq/kg) = 4.881e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 5.420e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -158542,7 +156885,6 @@ N(5) 5.360e-06 NO3- 5.360e-06 5.114e-06 -5.271 -5.291 -0.020 29.50 Na 3.245e-05 Na+ 3.245e-05 3.100e-05 -4.489 -4.509 -0.020 -1.46 - NaOH 3.101e-22 3.103e-22 -21.508 -21.508 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158603,7 +156945,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.699e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.704e-19 + Total alkalinity (eq/kg) = 8.574e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 6.368e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -158640,7 +156982,6 @@ N(5) 7.440e-06 NO3- 7.440e-06 7.102e-06 -5.128 -5.149 -0.020 29.50 Na 4.837e-05 Na+ 4.837e-05 4.622e-05 -4.315 -4.335 -0.020 -1.46 - NaOH 4.626e-22 4.628e-22 -21.335 -21.335 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158701,9 +157042,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.648e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.837e-19 + Total alkalinity (eq/kg) = 8.100e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.521e-15 + Electrical balance (eq) = 7.520e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158738,7 +157079,6 @@ N(5) 1.019e-05 NO3- 1.019e-05 9.737e-06 -4.992 -5.012 -0.020 29.50 Na 7.160e-05 Na+ 7.160e-05 6.845e-05 -4.145 -4.165 -0.019 -1.46 - NaOH 6.854e-22 6.857e-22 -21.164 -21.164 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158799,9 +157139,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.574e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.899e-20 + Total alkalinity (eq/kg) = 1.115e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.746e-15 + Electrical balance (eq) = 8.747e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158836,7 +157176,6 @@ N(5) 1.379e-05 NO3- 1.379e-05 1.319e-05 -4.860 -4.880 -0.019 29.50 Na 1.051e-04 Na+ 1.051e-04 1.006e-04 -3.978 -3.997 -0.019 -1.47 - NaOH 1.008e-21 1.008e-21 -20.997 -20.997 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158897,9 +157236,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.473e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.241e-19 + Total alkalinity (eq/kg) = 1.480e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.267e-15 + Electrical balance (eq) = 9.269e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -158934,7 +157273,6 @@ N(5) 1.843e-05 NO3- 1.843e-05 1.765e-05 -4.735 -4.753 -0.019 29.50 Na 1.522e-04 Na+ 1.522e-04 1.459e-04 -3.817 -3.836 -0.018 -1.47 - NaOH 1.463e-21 1.463e-21 -20.835 -20.835 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -158995,9 +157333,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.348e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.739e-19 + Total alkalinity (eq/kg) = 1.589e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.752e-15 + Electrical balance (eq) = 9.753e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -159032,7 +157370,6 @@ N(5) 2.433e-05 NO3- 2.433e-05 2.334e-05 -4.614 -4.632 -0.018 29.49 Na 2.152e-04 Na+ 2.152e-04 2.066e-04 -3.667 -3.685 -0.018 -1.47 - NaOH 2.073e-21 2.074e-21 -20.683 -20.683 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -159093,9 +157430,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.208e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.602e-19 + Total alkalinity (eq/kg) = 9.816e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.966e-15 + Electrical balance (eq) = 9.967e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -159130,7 +157467,6 @@ N(5) 3.173e-05 NO3- 3.173e-05 3.051e-05 -4.498 -4.516 -0.017 29.49 Na 2.933e-04 Na+ 2.933e-04 2.821e-04 -3.533 -3.550 -0.017 -1.47 - NaOH 2.834e-21 2.835e-21 -20.548 -20.547 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -159191,7 +157527,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.757e-19 + Total alkalinity (eq/kg) = 9.244e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 1.005e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -159228,7 +157564,6 @@ N(5) 4.091e-05 NO3- 4.091e-05 3.934e-05 -4.388 -4.405 -0.017 29.49 Na 3.685e-04 Na+ 3.685e-04 3.545e-04 -3.434 -3.450 -0.017 -1.47 - NaOH 3.562e-21 3.563e-21 -20.448 -20.448 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -159289,9 +157624,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.877e-19 + Total alkalinity (eq/kg) = 7.609e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.003e-14 + Electrical balance (eq) = 1.004e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 @@ -159326,7 +157661,6 @@ N(5) 5.215e-05 NO3- 5.215e-05 5.014e-05 -4.283 -4.300 -0.017 29.49 Na 4.528e-04 Na+ 4.528e-04 4.357e-04 -3.344 -3.361 -0.017 -1.47 - NaOH 4.378e-21 4.379e-21 -20.359 -20.359 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -159387,9 +157721,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.065e-19 + Total alkalinity (eq/kg) = 7.090e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.939e-15 + Electrical balance (eq) = 9.942e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -159424,7 +157758,6 @@ N(5) 6.572e-05 NO3- 6.572e-05 6.319e-05 -4.182 -4.199 -0.017 29.49 Na 5.435e-04 Na+ 5.435e-04 5.229e-04 -3.265 -3.282 -0.017 -1.47 - NaOH 5.255e-21 5.256e-21 -20.279 -20.279 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -159485,9 +157818,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.034e-19 + Total alkalinity (eq/kg) = 4.355e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.759e-15 + Electrical balance (eq) = 9.762e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -159522,7 +157855,6 @@ N(5) 8.192e-05 NO3- 8.192e-05 7.876e-05 -4.087 -4.104 -0.017 29.49 Na 6.363e-04 Na+ 6.363e-04 6.122e-04 -3.196 -3.213 -0.017 -1.47 - NaOH 6.151e-21 6.153e-21 -20.211 -20.211 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 30.40 @@ -159583,9 +157915,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.680e-19 + Total alkalinity (eq/kg) = 1.759e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.490e-15 + Electrical balance (eq) = 9.494e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 @@ -159620,7 +157952,6 @@ N(5) 1.010e-04 NO3- 1.010e-04 9.710e-05 -3.996 -4.013 -0.017 29.49 Na 7.255e-04 Na+ 7.255e-04 6.980e-04 -3.139 -3.156 -0.017 -1.47 - NaOH 7.014e-21 7.016e-21 -20.154 -20.154 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -159681,9 +158012,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.247e-19 + Total alkalinity (eq/kg) = 2.874e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.136e-15 + Electrical balance (eq) = 9.141e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -159718,7 +158049,6 @@ N(5) 1.232e-04 NO3- 1.232e-04 1.184e-04 -3.909 -3.926 -0.017 29.49 Na 8.052e-04 Na+ 8.052e-04 7.746e-04 -3.094 -3.111 -0.017 -1.47 - NaOH 7.784e-21 7.786e-21 -20.109 -20.109 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -159779,9 +158109,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.110e-19 + Total alkalinity (eq/kg) = -4.657e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.707e-15 + Electrical balance (eq) = 8.711e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -159816,7 +158146,6 @@ N(5) 1.487e-04 NO3- 1.487e-04 1.430e-04 -3.828 -3.845 -0.017 29.49 Na 8.703e-04 Na+ 8.703e-04 8.373e-04 -3.060 -3.077 -0.017 -1.47 - NaOH 8.414e-21 8.416e-21 -20.075 -20.075 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -159875,9 +158204,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.348e-21 + Total alkalinity (eq/kg) = -2.770e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.209e-15 + Electrical balance (eq) = 8.214e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -159909,7 +158238,6 @@ N(5) 1.777e-04 NO3- 1.777e-04 1.708e-04 -3.750 -3.767 -0.017 29.49 Na 9.188e-04 Na+ 9.188e-04 8.840e-04 -3.037 -3.054 -0.017 -1.47 - NaOH 8.882e-21 8.885e-21 -20.051 -20.051 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -159968,9 +158296,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.049e-19 + Total alkalinity (eq/kg) = -4.735e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.649e-15 + Electrical balance (eq) = 7.654e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -160002,7 +158330,6 @@ N(5) 2.101e-04 NO3- 2.101e-04 2.020e-04 -3.678 -3.695 -0.017 29.49 Na 9.518e-04 Na+ 9.518e-04 9.157e-04 -3.021 -3.038 -0.017 -1.47 - NaOH 9.201e-21 9.203e-21 -20.036 -20.036 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160061,9 +158388,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.206e-19 + Total alkalinity (eq/kg) = -2.842e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.032e-15 + Electrical balance (eq) = 7.035e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -160095,7 +158422,6 @@ N(5) 2.461e-04 NO3- 2.461e-04 2.366e-04 -3.609 -3.626 -0.017 29.49 Na 9.725e-04 Na+ 9.725e-04 9.356e-04 -3.012 -3.029 -0.017 -1.47 - NaOH 9.401e-21 9.404e-21 -20.027 -20.027 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160154,9 +158480,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.109e-20 + Total alkalinity (eq/kg) = 5.001e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.366e-15 + Electrical balance (eq) = 6.369e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -160188,7 +158514,6 @@ N(5) 2.853e-04 NO3- 2.853e-04 2.743e-04 -3.545 -3.562 -0.017 29.49 Na 9.848e-04 Na+ 9.848e-04 9.475e-04 -3.007 -3.023 -0.017 -1.47 - NaOH 9.520e-21 9.523e-21 -20.021 -20.021 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160247,9 +158572,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.665e-20 + Total alkalinity (eq/kg) = -4.589e-20 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.673e-15 + Electrical balance (eq) = 5.674e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -160281,7 +158606,6 @@ N(5) 3.276e-04 NO3- 3.276e-04 3.150e-04 -3.485 -3.502 -0.017 29.49 Na 9.918e-04 Na+ 9.918e-04 9.542e-04 -3.004 -3.020 -0.017 -1.47 - NaOH 9.588e-21 9.590e-21 -20.018 -20.018 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160340,9 +158664,9 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.138e-19 + Total alkalinity (eq/kg) = 2.542e-19 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.980e-15 + Electrical balance (eq) = 4.982e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 @@ -160374,7 +158698,6 @@ N(5) 3.723e-04 NO3- 3.723e-04 3.579e-04 -3.429 -3.446 -0.017 29.49 Na 9.957e-04 Na+ 9.957e-04 9.579e-04 -3.002 -3.019 -0.017 -1.47 - NaOH 9.625e-21 9.627e-21 -20.017 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160433,7 +158756,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.950e-20 + Total alkalinity (eq/kg) = 8.350e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 4.317e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -160467,7 +158790,6 @@ N(5) 4.181e-04 NO3- 4.181e-04 4.019e-04 -3.379 -3.396 -0.017 29.49 Na 9.977e-04 Na+ 9.977e-04 9.599e-04 -3.001 -3.018 -0.017 -1.47 - NaOH 9.645e-21 9.648e-21 -20.016 -20.016 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160526,7 +158848,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.177e-19 + Total alkalinity (eq/kg) = 9.168e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.715e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -160560,7 +158882,6 @@ N(5) 4.621e-04 NO3- 4.621e-04 4.442e-04 -3.335 -3.352 -0.017 29.49 Na 9.988e-04 Na+ 9.988e-04 9.610e-04 -3.001 -3.017 -0.017 -1.47 - NaOH 9.655e-21 9.658e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160619,7 +158940,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.344e-19 + Total alkalinity (eq/kg) = 6.728e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 3.233e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -160653,7 +158974,6 @@ N(5) 4.986e-04 NO3- 4.986e-04 4.794e-04 -3.302 -3.319 -0.017 29.49 Na 9.994e-04 Na+ 9.994e-04 9.615e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.661e-21 9.663e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160712,7 +159032,7 @@ X 1.100e-03 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.676e-19 + Total alkalinity (eq/kg) = 8.833e-19 Temperature (°C) = 25.00 Electrical balance (eq) = 2.917e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -160746,7 +159066,6 @@ N(5) 5.199e-04 NO3- 5.199e-04 4.999e-04 -3.284 -3.301 -0.017 29.49 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.663e-21 9.666e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 @@ -160786,7 +159105,7 @@ Using solution 41. Solution after simulation 2. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -3.407e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -160817,7 +159136,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 diff --git a/mytest/dist_x.sel b/mytest/dist_x.sel index 5d31be97b..68b0b1927 100644 --- a/mytest/dist_x.sel +++ b/mytest/dist_x.sel @@ -341,7 +341,7 @@ 0.003 8 1.142332366170e-04 1.144360384091e-03 9.345256423307e-05 4.961570995737e-04 0.005 8 2.044505670106e-04 1.102826808751e-03 1.670284719079e-04 4.142604805383e-04 0.007 8 3.360428742970e-04 1.043765548032e-03 2.675767745193e-04 2.981901755879e-04 - 0.009 8 5.047104018374e-04 9.670851128750e-04 3.825725014809e-04 1.563585483342e-04 + 0.009 8 5.047104018374e-04 9.670851128750e-04 3.825725014809e-04 1.563585483343e-04 0.011 8 6.951112209736e-04 8.733123564054e-04 5.010681382026e-04 1.910320402554e-06 0.013 8 8.166126514803e-04 7.655172927149e-04 3.833840974547e-04 1.625524306830e-09 0.015 8 9.058885649910e-04 6.490521257278e-04 2.941114334779e-04 7.586496954503e-13 @@ -355,7 +355,7 @@ 0.031 8 9.999911006867e-04 3.738978879039e-05 2.000088993130e-04 0.000000000000e+00 0.033 8 9.999981221481e-04 2.089441669121e-05 2.000018778520e-04 0.000000000000e+00 0.035 8 9.999996374941e-04 1.103350124752e-05 2.000003625063e-04 0.000000000000e+00 - 0.037 8 9.999999360633e-04 5.494411648532e-06 2.000000639371e-04 0.000000000000e+00 + 0.037 8 9.999999360634e-04 5.494411648532e-06 2.000000639371e-04 0.000000000000e+00 0.039 8 9.999999897118e-04 2.574672873039e-06 2.000000102887e-04 0.000000000000e+00 0.041 8 9.999999984923e-04 1.132702717732e-06 2.000000015083e-04 0.000000000000e+00 0.043 8 9.999999997994e-04 4.666763638397e-07 2.000000002012e-04 0.000000000000e+00 @@ -383,10 +383,10 @@ 0.003 9 8.388801421557e-05 1.160293207004e-03 7.175102433231e-05 5.221804807251e-04 0.005 9 1.527591452919e-04 1.129769915495e-03 1.319415737274e-04 4.576496404884e-04 0.007 9 2.589211863988e-04 1.085267950005e-03 2.285802137352e-04 3.562492999295e-04 - 0.009 9 4.036496387882e-04 1.025646293868e-03 3.579469969846e-04 2.192016821078e-04 - 0.011 9 5.722288270983e-04 9.500456246262e-04 4.700491757116e-04 7.886099858675e-05 - 0.013 9 7.315397356162e-04 8.594752165278e-04 4.681960738119e-04 1.320952767065e-07 - 0.015 9 8.423757648737e-04 7.569358807305e-04 3.576240884330e-04 7.333857928243e-11 + 0.009 9 4.036496387882e-04 1.025646293868e-03 3.579469969845e-04 2.192016821078e-04 + 0.011 9 5.722288270983e-04 9.500456246262e-04 4.700491757116e-04 7.886099858676e-05 + 0.013 9 7.315397356162e-04 8.594752165278e-04 4.681960738119e-04 1.320952767066e-07 + 0.015 9 8.423757648737e-04 7.569358807305e-04 3.576240884330e-04 7.333857928244e-11 0.017 9 9.199303632947e-04 6.470046758125e-04 2.800696366385e-04 2.651317009881e-14 0.019 9 9.642414683324e-04 5.352704935279e-04 2.357585316563e-04 8.192944755426e-18 0.021 9 9.856541087490e-04 4.275362965820e-04 2.143458912422e-04 2.296367353555e-21 @@ -428,7 +428,7 @@ 0.009 10 3.109718095521e-04 1.069604092648e-03 2.806442693180e-04 3.041919605611e-04 0.011 10 4.641375995692e-04 1.009544600108e-03 4.082876938009e-04 1.637873533081e-04 0.013 10 6.420348647275e-04 9.351092851573e-04 5.484515198315e-04 4.756807710522e-06 - 0.015 10 7.655727618015e-04 8.475464854300e-04 4.344174190062e-04 4.909587063043e-09 + 0.015 10 7.655727618015e-04 8.475464854300e-04 4.344174190062e-04 4.909587063044e-09 0.017 10 8.651755417684e-04 7.495770378833e-04 3.348244523575e-04 2.929076766638e-12 0.019 10 9.320300314230e-04 6.451953324389e-04 2.679699685611e-04 1.126463799501e-15 0.021 10 9.694850523637e-04 5.392120024786e-04 2.305149476249e-04 3.276484095365e-19 @@ -512,12 +512,12 @@ 0.009 12 1.835754189048e-04 1.127062723360e-03 1.868013783912e-04 4.148116013516e-04 0.011 12 2.884359746480e-04 1.090208792851e-03 2.931523651404e-04 3.092058301034e-04 0.013 12 4.285431791557e-04 1.042066095908e-03 4.316258383858e-04 1.699154912232e-04 - 0.015 12 5.938484930225e-04 9.819778070938e-04 5.848213416720e-04 1.066508264297e-05 - 0.017 12 7.180226142310e-04 9.101745472908e-04 4.819526910839e-04 1.234733295681e-08 + 0.015 12 5.938484930224e-04 9.819778070938e-04 5.848213416720e-04 1.066508264297e-05 + 0.017 12 7.180226142310e-04 9.101745472908e-04 4.819526910839e-04 1.234733295682e-08 0.019 12 8.238673097242e-04 8.279221529963e-04 3.761326728975e-04 8.680369893975e-12 0.021 12 9.022336114151e-04 7.375214666803e-04 2.977663885612e-04 4.036076055077e-15 0.023 12 9.514236181035e-04 6.421307768034e-04 2.485763818830e-04 1.385798932668e-18 - 0.025 12 9.780063795428e-04 5.454431798445e-04 2.219936204458e-04 3.947428803861e-22 + 0.025 12 9.780063795428e-04 5.454431798445e-04 2.219936204458e-04 3.947428803862e-22 0.027 12 9.907659358138e-04 4.512705794925e-04 2.092340641769e-04 1.033248490095e-25 0.029 12 9.963656444056e-04 3.631093339856e-04 2.036343555871e-04 0.000000000000e+00 0.031 12 9.986523099551e-04 2.837678338215e-04 2.013476900393e-04 0.000000000000e+00 @@ -526,9 +526,9 @@ 0.037 12 9.999514454484e-04 1.123504971546e-04 2.000485545498e-04 0.000000000000e+00 0.039 12 9.999857313575e-04 7.724713392821e-05 2.000142686415e-04 0.000000000000e+00 0.041 12 9.999960484309e-04 5.131294035223e-05 2.000039515687e-04 0.000000000000e+00 - 0.043 12 9.999989692071e-04 3.290253457064e-05 2.000010307928e-04 0.000000000000e+00 + 0.043 12 9.999989692072e-04 3.290253457064e-05 2.000010307928e-04 0.000000000000e+00 0.045 12 9.999997468415e-04 2.034800486721e-05 2.000002531587e-04 0.000000000000e+00 - 0.047 12 9.999999414869e-04 1.212669707794e-05 2.000000585134e-04 0.000000000000e+00 + 0.047 12 9.999999414870e-04 1.212669707794e-05 2.000000585134e-04 0.000000000000e+00 0.049 12 9.999999872774e-04 6.958745543578e-06 2.000000127231e-04 0.000000000000e+00 0.051 12 9.999999973989e-04 3.841700968731e-06 2.000000026017e-04 0.000000000000e+00 0.053 12 9.999999995004e-04 2.038682537218e-06 2.000000005002e-04 0.000000000000e+00 @@ -549,8 +549,8 @@ 0 13 0.000000000000e+00 1.200000000000e-03 0.000000000000e+00 6.000000000000e-04 0.001 13 1.472236585753e-05 1.193658974344e-03 1.521802961091e-05 5.850298022659e-04 0.003 13 2.566479137295e-05 1.189099500388e-03 2.661715525812e-05 5.738590266847e-04 - 0.005 13 4.795732312082e-05 1.180041045332e-03 4.992978293734e-05 5.510564469716e-04 - 0.007 13 8.427059868076e-05 1.165931317055e-03 8.860224719310e-05 5.135635770648e-04 + 0.005 13 4.795732312082e-05 1.180041045332e-03 4.992978293734e-05 5.510564469717e-04 + 0.007 13 8.427059868076e-05 1.165931317055e-03 8.860224719309e-05 5.135635770648e-04 0.009 13 1.404936035744e-04 1.145405771345e-03 1.506678337154e-04 4.544192813562e-04 0.011 13 2.240893246716e-04 1.116798672724e-03 2.450652169976e-04 3.654227291650e-04 0.013 13 3.393172817899e-04 1.078641239732e-03 3.666594683979e-04 2.470116249024e-04 @@ -568,7 +568,7 @@ 0.037 13 9.998533165381e-04 1.697126096211e-04 2.001466834588e-04 0.000000000000e+00 0.039 13 9.999526546959e-04 1.232279228153e-04 2.000473453021e-04 0.000000000000e+00 0.041 13 9.999855277343e-04 8.676799484547e-05 2.000144722645e-04 0.000000000000e+00 - 0.043 13 9.999958127207e-04 5.919920279038e-05 2.000041872786e-04 0.000000000000e+00 + 0.043 13 9.999958127208e-04 5.919920279038e-05 2.000041872786e-04 0.000000000000e+00 0.045 13 9.999988537935e-04 3.910624991978e-05 2.000011462063e-04 0.000000000000e+00 0.047 13 9.999997032739e-04 2.499375769652e-05 2.000002967262e-04 0.000000000000e+00 0.049 13 9.999999273799e-04 1.544406497198e-05 2.000000726204e-04 0.000000000000e+00 @@ -641,11 +641,11 @@ 0.015 15 3.133349652782e-04 1.097507394682e-03 3.715203562514e-04 2.575723392328e-04 0.017 15 4.455312759100e-04 1.057529203377e-03 4.970903346690e-04 1.286891947047e-04 0.019 15 5.950341368215e-04 1.008160887334e-03 6.028268158318e-04 1.069523664276e-06 - 0.021 15 7.094408344275e-04 9.492728154181e-04 4.905565996254e-04 1.282964512452e-09 + 0.021 15 7.094408344275e-04 9.492728154181e-04 4.905565996253e-04 1.282964512452e-09 0.023 15 8.110016632481e-04 8.813707255325e-04 3.889983349705e-04 8.819235632279e-13 0.025 15 8.890610028969e-04 8.056403534429e-04 3.109389970859e-04 4.153975691695e-16 0.027 15 9.409838861152e-04 7.239092033383e-04 2.590161138699e-04 1.550029903025e-19 - 0.029 15 9.711220019471e-04 6.385220625852e-04 2.288779980398e-04 4.924600603853e-23 + 0.029 15 9.711220019471e-04 6.385220625852e-04 2.288779980398e-04 4.924600603854e-23 0.031 15 9.867870824255e-04 5.521433115678e-04 2.132129175631e-04 1.392565368301e-26 0.033 15 9.942815653849e-04 4.675132847770e-04 2.057184346056e-04 0.000000000000e+00 0.035 15 9.976445425432e-04 3.871950121778e-04 2.023554574490e-04 0.000000000000e+00 @@ -658,7 +658,7 @@ 0.049 15 9.999987236594e-04 5.176350774755e-05 2.000012763402e-04 0.000000000000e+00 0.051 15 9.999996400038e-04 3.487254352625e-05 2.000003599962e-04 0.000000000000e+00 0.053 15 9.999999033109e-04 2.282880650510e-05 2.000000966893e-04 0.000000000000e+00 - 0.055 15 9.999999752773e-04 1.451405809481e-05 2.000000247230e-04 0.000000000000e+00 + 0.055 15 9.999999752774e-04 1.451405809481e-05 2.000000247230e-04 0.000000000000e+00 0.057 15 9.999999939835e-04 8.957195548309e-06 2.000000060170e-04 0.000000000000e+00 0.059 15 9.999999986069e-04 5.362990268439e-06 2.000000013937e-04 0.000000000000e+00 0.061 15 9.999999996933e-04 3.113640828448e-06 2.000000003073e-04 0.000000000000e+00 @@ -675,18 +675,18 @@ 0 16 0.000000000000e+00 1.200000000000e-03 0.000000000000e+00 6.000000000000e-04 0.001 16 6.191843289152e-06 1.197518895112e-03 7.273983648451e-06 5.932670865318e-04 0.003 16 1.089523276171e-05 1.195683747915e-03 1.280596363223e-05 5.881494018040e-04 - 0.005 16 2.062706641988e-05 1.191965801779e-03 2.428456711765e-05 5.775441832330e-04 + 0.005 16 2.062706641988e-05 1.191965801779e-03 2.428456711765e-05 5.775441832331e-04 0.007 16 3.683548545568e-05 1.185996042032e-03 4.369331947651e-05 5.597355975371e-04 - 0.009 16 6.252204794794e-05 1.176980779208e-03 7.515878771352e-05 5.311595821725e-04 + 0.009 16 6.252204794794e-05 1.176980779208e-03 7.515878771351e-05 5.311595821725e-04 0.011 16 1.021604958122e-04 1.163866701597e-03 1.247270605482e-04 4.865562218226e-04 0.013 16 1.618978764901e-04 1.145506884519e-03 2.007866950642e-04 4.186577142247e-04 0.015 16 2.489503296619e-04 1.120740669198e-03 3.138746518447e-04 3.185875092467e-04 0.017 16 3.669715817850e-04 1.088487565587e-03 4.663004150848e-04 1.833640015612e-04 0.019 16 5.075889944538e-04 1.047883524803e-03 6.198349734934e-04 3.628801601860e-05 - 0.021 16 6.322536398253e-04 9.984231049617e-04 5.676315654967e-04 5.739733012040e-08 + 0.021 16 6.322536398253e-04 9.984231049617e-04 5.676315654967e-04 5.739733012041e-08 0.023 16 7.427276747160e-04 9.400833045623e-04 4.572722251536e-04 5.005641330074e-11 0.025 16 8.363369963554e-04 8.734101977067e-04 3.636630035656e-04 3.099630852010e-14 - 0.027 16 9.056742838818e-04 7.995481717488e-04 2.943257161021e-04 1.437017898840e-17 + 0.027 16 9.056742838818e-04 7.995481717488e-04 2.943257161021e-04 1.437017898841e-17 0.029 16 9.503837887636e-04 7.201992635106e-04 2.496162112218e-04 5.189465107451e-21 0.031 16 9.758008118678e-04 6.375115862037e-04 2.241991881192e-04 1.575271985088e-24 0.033 16 9.888908457029e-04 5.539081947995e-04 2.111091542858e-04 2.338655612577e-28 @@ -701,10 +701,10 @@ 0.051 16 9.999987062428e-04 5.810692368477e-05 2.000012937566e-04 0.000000000000e+00 0.053 16 9.999996219318e-04 3.999431473040e-05 2.000003780680e-04 0.000000000000e+00 0.055 16 9.999998944851e-04 2.680262286935e-05 2.000001055150e-04 0.000000000000e+00 - 0.057 16 9.999999718822e-04 1.748059302293e-05 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0.001200104502 145.9103376732 diff --git a/mytest/donly.out b/mytest/donly.out index ab3a390fa..1eb5c152f 100644 --- a/mytest/donly.out +++ b/mytest/donly.out @@ -60,10 +60,10 @@ Initial solution 0. pH = 8.370 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 4111 + Specific Conductance (µS/cm, 25°C) = 4110 Density (g/cm³) = 1.00011 Volume (L) = 1.00408 - Viscosity (mPa s) = 0.90906 + Viscosity (mPa s) = 0.90959 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.189e-02 Mass of water (kg) = 1.000e+00 @@ -124,7 +124,6 @@ Na 4.543e-02 Na+ 4.426e-02 3.641e-02 -1.354 -1.439 -0.085 -1.21 NaHCO3 1.170e-03 1.198e-03 -2.932 -2.922 0.010 31.73 NaSO4- 7.183e-08 5.943e-08 -7.144 -7.226 -0.082 -8.55 - NaOH 8.523e-18 8.626e-18 -17.069 -17.064 0.005 (0) O(0) 4.948e-37 O2 2.474e-37 2.504e-37 -36.607 -36.601 0.005 30.40 S(6) 3.136e-07 @@ -184,7 +183,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 1715 Density (g/cm³) = 0.99813 Volume (L) = 1.00321 - Viscosity (mPa s) = 0.89847 + Viscosity (mPa s) = 0.89893 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.123e-02 Mass of water (kg) = 1.000e+00 @@ -245,7 +244,6 @@ Na 1.307e-02 Na+ 1.262e-02 1.098e-02 -1.899 -1.959 -0.060 -1.32 NaSO4- 3.723e-04 3.252e-04 -3.429 -3.488 -0.059 -12.43 NaHCO3 6.981e-05 7.049e-05 -4.156 -4.152 0.004 31.73 - NaOH 3.578e-19 3.596e-19 -18.446 -18.444 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -40.043 -40.040 0.002 30.40 S(6) 3.961e-03 @@ -375,7 +373,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -423,7 +420,7 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 9.645e-01 -3.547e-02 ----------------------------Description of solution---------------------------- pH = 8.903 Charge balance - pe = -3.281 Adjusted to redox equilibrium + pe = -3.278 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 14832 Density (g/cm³) = 1.00567 Volume (L) = 1.00600 @@ -434,7 +431,7 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 9.645e-01 -3.547e-02 Total alkalinity (eq/kg) = 7.186e-05 Total CO2 (mol/kg) = 3.593e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.328e-11 + Electrical balance (eq) = -2.285e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.111543e+02 @@ -448,8 +445,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 9.645e-01 -3.547e-02 OH- 1.133e-05 8.065e-06 -4.946 -5.093 -0.148 -3.52 H+ 1.562e-09 1.250e-09 -8.806 -8.903 -0.097 0.00 H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.07 -C(-4) 1.246e-28 - CH4 1.246e-28 1.301e-28 -27.904 -27.886 0.019 35.46 +C(-4) 1.179e-28 + CH4 1.179e-28 1.231e-28 -27.928 -27.910 0.019 35.46 C(4) 3.593e-05 HCO3- 2.367e-05 1.775e-05 -4.626 -4.751 -0.125 25.11 CaCO3 5.328e-06 5.563e-06 -5.273 -5.255 0.019 -14.60 @@ -470,8 +467,8 @@ Ca 1.970e-02 Cl 9.987e-02 Cl- 9.987e-02 7.193e-02 -1.001 -1.143 -0.143 18.45 HCl 2.576e-11 3.097e-11 -10.589 -10.509 0.080 (0) -H(0) 7.716e-15 - H2 3.858e-15 4.028e-15 -14.414 -14.395 0.019 28.61 +H(0) 7.610e-15 + H2 3.805e-15 3.973e-15 -14.420 -14.401 0.019 28.61 Mg 1.576e-02 Mg+2 1.073e-02 3.735e-03 -1.969 -2.428 -0.458 -20.94 MgSO4 4.761e-03 5.191e-03 -2.322 -2.285 0.038 -7.92 @@ -483,14 +480,13 @@ Na 9.987e-02 Na+ 9.194e-02 6.904e-02 -1.037 -1.161 -0.124 -0.95 NaSO4- 7.936e-03 5.965e-03 -2.100 -2.224 -0.124 -1.36 NaHCO3 9.790e-07 1.067e-06 -6.009 -5.972 0.038 31.73 - NaOH 5.332e-17 5.568e-17 -16.273 -16.254 0.019 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.613 -63.594 0.019 30.40 -S(-2) 4.472e-23 - HS- 4.438e-23 3.160e-23 -22.353 -22.500 -0.148 20.98 - H2S 3.307e-25 3.453e-25 -24.481 -24.462 0.019 36.27 - S-2 1.003e-26 3.054e-27 -25.999 -26.515 -0.516 (0) - (H2S)2 0.000e+00 0.000e+00 -50.221 -50.202 0.019 30.09 + O2 0.000e+00 0.000e+00 -63.601 -63.582 0.019 30.40 +S(-2) 4.232e-23 + HS- 4.200e-23 2.990e-23 -22.377 -22.524 -0.148 20.98 + H2S 3.129e-25 3.267e-25 -24.505 -24.486 0.019 36.27 + S-2 9.492e-27 2.890e-27 -26.023 -26.539 -0.516 (0) + (H2S)2 0.000e+00 0.000e+00 -50.269 -50.250 0.019 30.09 S(6) 3.542e-02 SO4-2 1.774e-02 5.308e-03 -1.751 -2.275 -0.524 27.82 NaSO4- 7.936e-03 5.965e-03 -2.100 -2.224 -0.124 -1.36 @@ -507,20 +503,20 @@ S(6) 3.542e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -25.08 -27.89 -2.80 CH4 + CH4(g) -25.11 -27.91 -2.80 CH4 CO2(g) -5.83 -7.30 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Epsomite -2.98 -4.72 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -11.29 -14.39 -3.10 H2 + H2(g) -11.30 -14.40 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -23.47 -31.40 -7.94 H2S + H2S(g) -23.49 -31.43 -7.94 H2S Halite -3.87 -2.30 1.57 NaCl Hexahydrite -3.15 -4.71 -1.57 MgSO4:6H2O Kieserite -3.54 -4.70 -1.16 MgSO4:H2O Mirabilite -3.38 -4.62 -1.24 Na2SO4:10H2O - O2(g) -60.70 -63.59 -2.89 O2 - Sulfur -18.10 -13.22 4.88 S + O2(g) -60.69 -63.58 -2.89 O2 + Sulfur -18.12 -13.23 4.88 S Thenardite -4.30 -4.60 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -612,10 +608,10 @@ X 1.500e+00 mol pH = 6.249 Charge balance pe = 13.032 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7157 + Specific Conductance (µS/cm, 25°C) = 7139 Density (g/cm³) = 1.00303 Volume (L) = 1.00582 - Viscosity (mPa s) = 0.92206 + Viscosity (mPa s) = 0.92821 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.049e-01 Mass of water (kg) = 1.002e+00 @@ -686,7 +682,6 @@ Na 4.354e-02 Na+ 3.817e-02 2.986e-02 -1.418 -1.525 -0.107 -1.08 NaSO4- 5.064e-03 3.984e-03 -2.295 -2.400 -0.104 -4.88 NaHCO3 3.079e-04 3.231e-04 -3.512 -3.491 0.021 31.73 - NaOH 5.221e-20 5.348e-20 -19.282 -19.272 0.010 (0) O(0) 2.138e-09 O2 1.069e-09 1.095e-09 -8.971 -8.960 0.010 30.40 S(-2) 0.000e+00 @@ -781,10 +776,10 @@ X 1.500e+00 mol pH = 6.251 Charge balance pe = 13.029 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7231 + Specific Conductance (µS/cm, 25°C) = 7212 Density (g/cm³) = 1.00309 Volume (L) = 1.00584 - Viscosity (mPa s) = 0.92231 + Viscosity (mPa s) = 0.92841 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.058e-01 Mass of water (kg) = 1.002e+00 @@ -855,7 +850,6 @@ Na 4.467e-02 Na+ 3.912e-02 3.059e-02 -1.408 -1.514 -0.107 -1.08 NaSO4- 5.234e-03 4.115e-03 -2.281 -2.386 -0.104 -4.83 NaHCO3 3.162e-04 3.320e-04 -3.500 -3.479 0.021 31.73 - NaOH 5.374e-20 5.506e-20 -19.270 -19.259 0.011 (0) O(0) 2.130e-09 O2 1.065e-09 1.091e-09 -8.973 -8.962 0.011 30.40 S(-2) 0.000e+00 @@ -950,10 +944,10 @@ X 1.500e+00 mol pH = 6.255 Charge balance pe = 13.024 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7364 + Specific Conductance (µS/cm, 25°C) = 7346 Density (g/cm³) = 1.00319 Volume (L) = 1.00588 - Viscosity (mPa s) = 0.92276 + Viscosity (mPa s) = 0.92876 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.074e-01 Mass of water (kg) = 1.002e+00 @@ -1014,7 +1008,7 @@ N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -53.105 -53.237 -0.132 18.16 NH4SO4- 0.000e+00 0.000e+00 -54.101 -54.208 -0.107 5.59 NH3 0.000e+00 0.000e+00 -56.237 -56.226 0.011 24.42 -N(0) 8.465e-10 +N(0) 8.466e-10 N2 4.233e-10 4.339e-10 -9.373 -9.363 0.011 29.29 N(3) 3.681e-16 NO2- 3.681e-16 2.752e-16 -15.434 -15.560 -0.126 25.25 @@ -1024,7 +1018,6 @@ Na 4.662e-02 Na+ 4.076e-02 3.183e-02 -1.390 -1.497 -0.107 -1.08 NaSO4- 5.534e-03 4.346e-03 -2.257 -2.362 -0.105 -4.74 NaHCO3 3.307e-04 3.474e-04 -3.481 -3.459 0.021 31.73 - NaOH 5.641e-20 5.783e-20 -19.249 -19.238 0.011 (0) O(0) 2.116e-09 O2 1.058e-09 1.085e-09 -8.975 -8.965 0.011 30.40 S(-2) 0.000e+00 @@ -1119,10 +1112,10 @@ X 1.500e+00 mol pH = 6.257 Charge balance pe = 13.023 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7417 + Specific Conductance (µS/cm, 25°C) = 7399 Density (g/cm³) = 1.00323 Volume (L) = 1.00590 - Viscosity (mPa s) = 0.92294 + Viscosity (mPa s) = 0.92891 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.081e-01 Mass of water (kg) = 1.002e+00 @@ -1193,7 +1186,6 @@ Na 4.740e-02 Na+ 4.141e-02 3.233e-02 -1.383 -1.490 -0.108 -1.08 NaSO4- 5.655e-03 4.438e-03 -2.248 -2.353 -0.105 -4.71 NaHCO3 3.364e-04 3.536e-04 -3.473 -3.452 0.022 31.73 - NaOH 5.748e-20 5.893e-20 -19.240 -19.230 0.011 (0) O(0) 2.111e-09 O2 1.055e-09 1.082e-09 -8.977 -8.966 0.011 30.40 S(-2) 0.000e+00 @@ -1288,10 +1280,10 @@ X 1.500e+00 mol pH = 6.257 Charge balance pe = 13.022 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7426 + Specific Conductance (µS/cm, 25°C) = 7408 Density (g/cm³) = 1.00324 Volume (L) = 1.00590 - Viscosity (mPa s) = 0.92297 + Viscosity (mPa s) = 0.92893 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.082e-01 Mass of water (kg) = 1.002e+00 @@ -1362,7 +1354,6 @@ Na 4.752e-02 Na+ 4.151e-02 3.241e-02 -1.382 -1.489 -0.108 -1.08 NaSO4- 5.674e-03 4.453e-03 -2.246 -2.351 -0.105 -4.70 NaHCO3 3.373e-04 3.546e-04 -3.472 -3.450 0.022 31.73 - NaOH 5.766e-20 5.911e-20 -19.239 -19.228 0.011 (0) O(0) 2.110e-09 O2 1.055e-09 1.082e-09 -8.977 -8.966 0.011 30.40 S(-2) 0.000e+00 @@ -1454,7 +1445,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.799 Charge balance - pe = -3.617 Adjusted to redox equilibrium + pe = 9.157 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13454 Density (g/cm³) = 1.00459 Volume (L) = 1.00543 @@ -1465,9 +1456,9 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.820e-05 Total CO2 (mol/kg) = 3.409e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.077e-10 + Electrical balance (eq) = -7.563e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 4 + Iterations = 9 Total H = 1.111187e+02 Total O = 5.566573e+01 @@ -1479,8 +1470,8 @@ X 1.500e+00 mol OH- 8.868e-06 6.353e-06 -5.052 -5.197 -0.145 -3.55 H+ 1.979e-09 1.587e-09 -8.704 -8.799 -0.096 0.00 H2O 5.551e+01 9.962e-01 1.744 -0.002 0.000 18.07 -C(-4) 5.004e-25 - CH4 5.004e-25 5.214e-25 -24.301 -24.283 0.018 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -126.492 -126.475 0.018 35.46 C(4) 3.409e-05 HCO3- 2.227e-05 1.678e-05 -4.652 -4.775 -0.123 25.09 CaCO3 5.340e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -1502,8 +1493,8 @@ Ca 2.463e-02 Cl 9.990e-02 Cl- 9.990e-02 7.236e-02 -1.000 -1.140 -0.140 18.43 HCl 3.324e-11 3.957e-11 -10.478 -10.403 0.076 (0) -H(0) 5.881e-14 - H2 2.940e-14 3.063e-14 -13.532 -13.514 0.018 28.61 +H(0) 1.665e-39 + H2 8.327e-40 8.675e-40 -39.080 -39.062 0.018 28.61 K 1.918e-03 K+ 1.821e-03 1.312e-03 -2.740 -2.882 -0.142 9.32 KSO4- 9.675e-05 7.878e-05 -4.014 -4.104 -0.089 14.10 @@ -1519,14 +1510,13 @@ Na 6.263e-02 Na+ 5.885e-02 4.435e-02 -1.230 -1.353 -0.123 -0.96 NaSO4- 3.773e-03 2.848e-03 -2.423 -2.545 -0.122 -1.71 NaHCO3 5.971e-07 6.481e-07 -6.224 -6.188 0.036 31.73 - NaOH 2.705e-17 2.818e-17 -16.568 -16.550 0.018 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.373 -65.356 0.018 30.40 -S(-2) 1.403e-19 - HS- 1.389e-19 9.954e-20 -18.857 -19.002 -0.145 20.97 - H2S 1.326e-21 1.381e-21 -20.877 -20.860 0.018 36.27 - S-2 2.441e-23 7.574e-24 -22.612 -23.121 -0.508 (0) - (H2S)2 0.000e+00 0.000e+00 -43.015 -42.998 0.018 30.09 +O(0) 1.055e-14 + O2 5.277e-15 5.498e-15 -14.278 -14.260 0.018 30.40 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -121.049 -121.194 -0.145 20.97 + H2S 0.000e+00 0.000e+00 -123.069 -123.051 0.018 36.27 + S-2 0.000e+00 0.000e+00 -124.804 -125.312 -0.508 (0) + (H2S)2 0.000e+00 0.000e+00 -247.399 -247.381 0.018 30.09 S(6) 2.654e-02 SO4-2 1.292e-02 3.945e-03 -1.889 -2.404 -0.515 27.49 MgSO4 4.880e-03 5.296e-03 -2.312 -2.276 0.036 -7.92 @@ -1545,20 +1535,20 @@ S(6) 2.654e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -21.48 -24.28 -2.80 CH4 + CH4(g) -123.67 -126.47 -2.80 CH4 CO2(g) -5.75 -7.22 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.71 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -10.41 -13.51 -3.10 H2 + H2(g) -35.96 -39.06 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.87 -27.80 -7.94 H2S + H2S(g) -122.06 -129.99 -7.94 H2S Halite -4.06 -2.49 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.70 -1.16 MgSO4:H2O Mirabilite -3.89 -5.13 -1.24 Na2SO4:10H2O - O2(g) -62.46 -65.36 -2.89 O2 - Sulfur -15.38 -10.50 4.88 S + O2(g) -11.37 -14.26 -2.89 O2 + Sulfur -92.02 -87.14 4.88 S Sylvite -4.92 -4.02 0.90 KCl Thenardite -4.81 -5.11 -0.30 Na2SO4 @@ -1608,7 +1598,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.780 Charge balance - pe = -3.448 Adjusted to redox equilibrium + pe = 9.202 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13247 Density (g/cm³) = 1.00444 Volume (L) = 1.00533 @@ -1619,7 +1609,7 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.767e-05 Total CO2 (mol/kg) = 3.383e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.491e-11 + Electrical balance (eq) = -2.813e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.111137e+02 @@ -1633,8 +1623,8 @@ X 1.500e+00 mol OH- 8.486e-06 6.082e-06 -5.071 -5.216 -0.145 -3.55 H+ 2.066e-09 1.658e-09 -8.685 -8.780 -0.096 0.00 H2O 5.551e+01 9.963e-01 1.744 -0.002 0.000 18.07 -C(-4) 3.208e-26 - CH4 3.208e-26 3.342e-26 -25.494 -25.476 0.018 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -126.687 -126.669 0.018 35.46 C(4) 3.383e-05 HCO3- 2.205e-05 1.662e-05 -4.657 -4.779 -0.123 25.09 CaCO3 5.341e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -1656,8 +1646,8 @@ Ca 2.570e-02 Cl 9.991e-02 Cl- 9.991e-02 7.239e-02 -1.000 -1.140 -0.140 18.43 HCl 3.476e-11 4.135e-11 -10.459 -10.384 0.075 (0) -H(0) 2.934e-14 - H2 1.467e-14 1.528e-14 -13.833 -13.816 0.018 28.61 +H(0) 1.477e-39 + H2 7.384e-40 7.691e-40 -39.132 -39.114 0.018 28.61 K 1.966e-03 K+ 1.871e-03 1.350e-03 -2.728 -2.870 -0.142 9.32 KSO4- 9.434e-05 7.681e-05 -4.025 -4.115 -0.089 14.10 @@ -1673,14 +1663,13 @@ Na 5.630e-02 Na+ 5.307e-02 4.001e-02 -1.275 -1.398 -0.123 -0.96 NaSO4- 3.226e-03 2.436e-03 -2.491 -2.613 -0.122 -1.73 NaHCO3 5.337e-07 5.791e-07 -6.273 -6.237 0.035 31.73 - NaOH 2.336e-17 2.434e-17 -16.631 -16.614 0.018 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.769 -64.752 0.018 30.40 -S(-2) 8.606e-21 - HS- 8.519e-21 6.106e-21 -20.070 -20.214 -0.145 20.97 - H2S 8.498e-23 8.851e-23 -22.071 -22.053 0.018 36.27 - S-2 1.432e-24 4.448e-25 -23.844 -24.352 -0.508 (0) - (H2S)2 0.000e+00 0.000e+00 -45.402 -45.384 0.018 30.09 +O(0) 1.343e-14 + O2 6.716e-15 6.995e-15 -14.173 -14.155 0.018 30.40 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -121.262 -121.407 -0.145 20.97 + H2S 0.000e+00 0.000e+00 -123.264 -123.246 0.018 36.27 + S-2 0.000e+00 0.000e+00 -125.037 -125.545 -0.508 (0) + (H2S)2 0.000e+00 0.000e+00 -247.788 -247.770 0.018 30.09 S(6) 2.530e-02 SO4-2 1.224e-02 3.741e-03 -1.912 -2.427 -0.515 27.46 MgSO4 4.895e-03 5.311e-03 -2.310 -2.275 0.035 -7.92 @@ -1699,20 +1688,20 @@ S(6) 2.530e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -22.67 -25.48 -2.80 CH4 + CH4(g) -123.87 -126.67 -2.80 CH4 CO2(g) -5.74 -7.21 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.70 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -10.71 -13.82 -3.10 H2 + H2(g) -36.01 -39.11 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -21.06 -28.99 -7.94 H2S + H2S(g) -122.25 -130.19 -7.94 H2S Halite -4.11 -2.54 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.69 -1.16 MgSO4:H2O Mirabilite -4.00 -5.24 -1.24 Na2SO4:10H2O - O2(g) -61.86 -64.75 -2.89 O2 - Sulfur -16.27 -11.39 4.88 S + O2(g) -11.26 -14.16 -2.89 O2 + Sulfur -92.16 -87.28 4.88 S Sylvite -4.91 -4.01 0.90 KCl Thenardite -4.92 -5.22 -0.30 Na2SO4 @@ -1762,7 +1751,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.772 Charge balance - pe = -3.609 Adjusted to redox equilibrium + pe = -3.255 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13157 Density (g/cm³) = 1.00437 Volume (L) = 1.00529 @@ -1773,7 +1762,7 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.738e-05 Total CO2 (mol/kg) = 3.369e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.393e-10 + Electrical balance (eq) = 2.435e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.111115e+02 @@ -1787,8 +1776,8 @@ X 1.500e+00 mol OH- 8.322e-06 5.966e-06 -5.080 -5.224 -0.145 -3.55 H+ 2.107e-09 1.690e-09 -8.676 -8.772 -0.096 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.07 -C(-4) 7.459e-25 - CH4 7.459e-25 7.769e-25 -24.127 -24.110 0.018 35.46 +C(-4) 1.093e-27 + CH4 1.093e-27 1.138e-27 -26.961 -26.944 0.018 35.46 C(4) 3.369e-05 HCO3- 2.194e-05 1.653e-05 -4.659 -4.782 -0.123 25.09 CaCO3 5.341e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -1810,8 +1799,8 @@ Ca 2.622e-02 Cl 9.991e-02 Cl- 9.991e-02 7.241e-02 -1.000 -1.140 -0.140 18.43 HCl 3.546e-11 4.216e-11 -10.450 -10.375 0.075 (0) -H(0) 6.422e-14 - H2 3.211e-14 3.344e-14 -13.493 -13.476 0.018 28.61 +H(0) 1.256e-14 + H2 6.282e-15 6.543e-15 -14.202 -14.184 0.018 28.61 K 1.985e-03 K+ 1.891e-03 1.364e-03 -2.723 -2.865 -0.142 9.32 KSO4- 9.304e-05 7.576e-05 -4.031 -4.121 -0.089 14.10 @@ -1827,14 +1816,13 @@ Na 5.347e-02 Na+ 5.047e-02 3.805e-02 -1.297 -1.420 -0.123 -0.96 NaSO4- 2.993e-03 2.261e-03 -2.524 -2.646 -0.122 -1.74 NaHCO3 5.051e-07 5.479e-07 -6.297 -6.261 0.035 31.73 - NaOH 2.180e-17 2.270e-17 -16.662 -16.644 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.449 -65.432 0.018 30.40 -S(-2) 1.962e-19 - HS- 1.942e-19 1.392e-19 -18.712 -18.856 -0.145 20.97 - H2S 1.976e-21 2.058e-21 -20.704 -20.687 0.018 36.27 - S-2 3.200e-23 9.949e-24 -22.495 -23.002 -0.507 (0) - (H2S)2 0.000e+00 0.000e+00 -42.669 -42.651 0.018 30.09 + O2 0.000e+00 0.000e+00 -64.032 -64.015 0.018 30.40 +S(-2) 2.875e-22 + HS- 2.846e-22 2.040e-22 -21.546 -21.690 -0.145 20.97 + H2S 2.895e-24 3.015e-24 -23.538 -23.521 0.018 36.27 + S-2 4.689e-26 1.458e-26 -25.329 -25.836 -0.507 (0) + (H2S)2 0.000e+00 0.000e+00 -48.337 -48.320 0.018 30.09 S(6) 2.475e-02 SO4-2 1.193e-02 3.650e-03 -1.923 -2.438 -0.514 27.45 MgSO4 4.888e-03 5.302e-03 -2.311 -2.276 0.035 -7.92 @@ -1853,20 +1841,20 @@ S(6) 2.475e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -21.31 -24.11 -2.80 CH4 + CH4(g) -24.14 -26.94 -2.80 CH4 CO2(g) -5.73 -7.20 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.70 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -10.37 -13.48 -3.10 H2 + H2(g) -11.08 -14.18 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.69 -27.63 -7.94 H2S + H2S(g) -22.53 -30.46 -7.94 H2S Halite -4.13 -2.56 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.70 -1.16 MgSO4:H2O Mirabilite -4.05 -5.29 -1.24 Na2SO4:10H2O - O2(g) -62.54 -65.43 -2.89 O2 - Sulfur -15.24 -10.36 4.88 S + O2(g) -61.12 -64.01 -2.89 O2 + Sulfur -17.37 -12.49 4.88 S Sylvite -4.91 -4.01 0.90 KCl Thenardite -4.98 -5.28 -0.30 Na2SO4 @@ -1916,7 +1904,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.770 Charge balance - pe = 8.998 Adjusted to redox equilibrium + pe = 9.181 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13138 Density (g/cm³) = 1.00436 Volume (L) = 1.00528 @@ -1927,9 +1915,9 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.732e-05 Total CO2 (mol/kg) = 3.366e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.066e-10 + Electrical balance (eq) = -9.533e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 22 + Iterations = 10 Total H = 1.111111e+02 Total O = 5.565426e+01 @@ -1942,7 +1930,7 @@ X 1.500e+00 mol H+ 2.115e-09 1.697e-09 -8.675 -8.770 -0.096 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -124.973 -124.956 0.018 35.46 + CH4 0.000e+00 0.000e+00 -126.435 -126.418 0.018 35.46 C(4) 3.366e-05 HCO3- 2.191e-05 1.651e-05 -4.659 -4.782 -0.123 25.09 CaCO3 5.341e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -1964,8 +1952,8 @@ Ca 2.633e-02 Cl 9.991e-02 Cl- 9.991e-02 7.241e-02 -1.000 -1.140 -0.140 18.43 HCl 3.560e-11 4.233e-11 -10.449 -10.373 0.075 (0) -H(0) 3.943e-39 - H2 1.971e-39 2.053e-39 -38.705 -38.688 0.018 28.61 +H(0) 1.700e-39 + H2 8.498e-40 8.851e-40 -39.071 -39.053 0.018 28.61 K 1.988e-03 K+ 1.895e-03 1.367e-03 -2.722 -2.864 -0.142 9.32 KSO4- 9.278e-05 7.554e-05 -4.033 -4.122 -0.089 14.10 @@ -1981,14 +1969,13 @@ Na 5.290e-02 Na+ 4.995e-02 3.766e-02 -1.301 -1.424 -0.123 -0.96 NaSO4- 2.947e-03 2.226e-03 -2.531 -2.652 -0.122 -1.74 NaHCO3 4.993e-07 5.417e-07 -6.302 -6.266 0.035 31.73 - NaOH 2.149e-17 2.238e-17 -16.668 -16.650 0.018 (0) -O(0) 1.885e-15 - O2 9.425e-16 9.816e-16 -15.026 -15.008 0.018 30.40 +O(0) 1.014e-14 + O2 5.072e-15 5.283e-15 -14.295 -14.277 0.018 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.560 -119.704 -0.145 20.97 - H2S 0.000e+00 0.000e+00 -121.550 -121.533 0.018 36.27 - S-2 0.000e+00 0.000e+00 -123.344 -123.852 -0.507 (0) - (H2S)2 0.000e+00 0.000e+00 -244.362 -244.344 0.018 30.09 + HS- 0.000e+00 0.000e+00 -121.021 -121.166 -0.145 20.97 + H2S 0.000e+00 0.000e+00 -123.012 -122.995 0.018 36.27 + S-2 0.000e+00 0.000e+00 -124.806 -125.314 -0.507 (0) + (H2S)2 0.000e+00 0.000e+00 -247.285 -247.268 0.018 30.09 S(6) 2.464e-02 SO4-2 1.187e-02 3.632e-03 -1.926 -2.440 -0.514 27.45 MgSO4 4.885e-03 5.299e-03 -2.311 -2.276 0.035 -7.92 @@ -2007,20 +1994,20 @@ S(6) 2.464e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -122.15 -124.96 -2.80 CH4 + CH4(g) -123.62 -126.42 -2.80 CH4 CO2(g) -5.73 -7.20 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.70 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -35.59 -38.69 -3.10 H2 + H2(g) -35.95 -39.05 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -120.54 -128.47 -7.94 H2S + H2S(g) -122.00 -129.94 -7.94 H2S Halite -4.13 -2.56 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.70 -1.16 MgSO4:H2O Mirabilite -4.06 -5.30 -1.24 Na2SO4:10H2O - O2(g) -12.12 -15.01 -2.89 O2 - Sulfur -90.88 -86.00 4.88 S + O2(g) -11.38 -14.28 -2.89 O2 + Sulfur -91.97 -87.09 4.88 S Sylvite -4.90 -4.00 0.90 KCl Thenardite -4.99 -5.29 -0.30 Na2SO4 @@ -2039,9 +2026,9 @@ Using pure phase assemblage 10. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -1.998e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 6.439e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.776e-15 -----------------------------Exchange composition------------------------------ @@ -2073,10 +2060,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -2147,7 +2134,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -2173,7 +2159,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite 0.00 -8.48 -8.48 CaCO3 + Calcite -0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -2208,9 +2194,9 @@ Using pure phase assemblage 11. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -2242,10 +2228,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -2316,7 +2302,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -2342,7 +2327,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -2377,9 +2362,9 @@ Using pure phase assemblage 12. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -2411,10 +2396,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -2485,7 +2470,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -2511,7 +2495,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -2546,9 +2530,9 @@ Using pure phase assemblage 13. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -2580,10 +2564,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -2654,7 +2638,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -2680,7 +2663,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -2715,9 +2698,9 @@ Using pure phase assemblage 14. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -2749,10 +2732,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -2823,7 +2806,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -2849,7 +2831,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -2884,9 +2866,9 @@ Using pure phase assemblage 15. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -2918,10 +2900,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -2992,7 +2974,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -3018,7 +2999,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -3053,9 +3034,9 @@ Using pure phase assemblage 16. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -3087,10 +3068,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -3161,7 +3142,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -3187,7 +3167,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -3222,9 +3202,9 @@ Using pure phase assemblage 17. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -3256,10 +3236,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -3330,7 +3310,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -3356,7 +3335,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -3391,9 +3370,9 @@ Using pure phase assemblage 18. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -3425,10 +3404,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -3499,7 +3478,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -3525,7 +3503,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -3560,9 +3538,9 @@ Using pure phase assemblage 19. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -3594,10 +3572,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -3668,7 +3646,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -3694,7 +3671,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -3729,9 +3706,9 @@ Using pure phase assemblage 20. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -3763,10 +3740,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -3837,7 +3814,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -3863,7 +3839,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -3898,9 +3874,9 @@ Using pure phase assemblage 21. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -3932,10 +3908,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -4006,7 +3982,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -4032,7 +4007,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -4067,9 +4042,9 @@ Using pure phase assemblage 22. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -4101,10 +4076,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -4175,7 +4150,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -4201,7 +4175,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -4236,9 +4210,9 @@ Using pure phase assemblage 23. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -4270,10 +4244,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -4344,7 +4318,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -4370,7 +4343,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -4405,9 +4378,9 @@ Using pure phase assemblage 24. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -4439,10 +4412,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -4513,7 +4486,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -4539,7 +4511,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -4574,9 +4546,9 @@ Using pure phase assemblage 25. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -4608,10 +4580,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -4682,7 +4654,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -4708,7 +4679,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -4743,9 +4714,9 @@ Using pure phase assemblage 26. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -4777,10 +4748,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -4851,7 +4822,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -4877,7 +4847,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -4912,9 +4882,9 @@ Using pure phase assemblage 27. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -4946,10 +4916,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -5020,7 +4990,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -5046,7 +5015,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -5081,9 +5050,9 @@ Using pure phase assemblage 28. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -5115,10 +5084,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -5189,7 +5158,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -5215,7 +5183,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -5250,9 +5218,9 @@ Using pure phase assemblage 29. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -5284,10 +5252,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -5358,7 +5326,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -5384,7 +5351,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -5419,9 +5386,9 @@ Using pure phase assemblage 30. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.052e+00 1.052e+00 -2.220e-16 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 3.331e-15 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 2.665e-15 -----------------------------Exchange composition------------------------------ @@ -5453,10 +5420,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -5527,7 +5494,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -5553,7 +5519,7 @@ S(6) 3.697e-02 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.31 -8.19 -1.88 K2SO4 - Calcite -0.00 -8.48 -8.48 CaCO3 + Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -130.17 -132.98 -2.80 CH4 CO2(g) -1.26 -2.72 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -5627,10 +5593,10 @@ X 1.500e+00 mol pH = 6.251 Charge balance pe = 13.029 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7234 + Specific Conductance (µS/cm, 25°C) = 7216 Density (g/cm³) = 1.00309 Volume (L) = 1.00584 - Viscosity (mPa s) = 0.92232 + Viscosity (mPa s) = 0.92841 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.058e-01 Mass of water (kg) = 1.002e+00 @@ -5701,7 +5667,6 @@ Na 4.470e-02 Na+ 3.914e-02 3.061e-02 -1.407 -1.514 -0.107 -1.08 NaSO4- 5.239e-03 4.119e-03 -2.281 -2.385 -0.105 -4.83 NaHCO3 3.164e-04 3.322e-04 -3.500 -3.479 0.021 31.73 - NaOH 5.378e-20 5.511e-20 -19.269 -19.259 0.011 (0) O(0) 2.130e-09 O2 1.065e-09 1.091e-09 -8.973 -8.962 0.011 30.40 S(-2) 0.000e+00 @@ -5796,10 +5761,10 @@ X 1.500e+00 mol pH = 6.250 Charge balance pe = 13.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7211 + Specific Conductance (µS/cm, 25°C) = 7192 Density (g/cm³) = 1.00307 Volume (L) = 1.00583 - Viscosity (mPa s) = 0.92224 + Viscosity (mPa s) = 0.92835 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.056e-01 Mass of water (kg) = 1.002e+00 @@ -5870,7 +5835,6 @@ Na 4.437e-02 Na+ 3.887e-02 3.039e-02 -1.410 -1.517 -0.107 -1.08 NaSO4- 5.188e-03 4.080e-03 -2.285 -2.389 -0.104 -4.85 NaHCO3 3.140e-04 3.296e-04 -3.503 -3.482 0.021 31.73 - NaOH 5.333e-20 5.464e-20 -19.273 -19.262 0.011 (0) O(0) 2.132e-09 O2 1.066e-09 1.092e-09 -8.972 -8.962 0.011 30.40 S(-2) 0.000e+00 @@ -5965,10 +5929,10 @@ X 1.500e+00 mol pH = 6.252 Charge balance pe = 13.028 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7266 + Specific Conductance (µS/cm, 25°C) = 7248 Density (g/cm³) = 1.00312 Volume (L) = 1.00585 - Viscosity (mPa s) = 0.92243 + Viscosity (mPa s) = 0.92850 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.062e-01 Mass of water (kg) = 1.002e+00 @@ -6039,7 +6003,6 @@ Na 4.519e-02 Na+ 3.956e-02 3.092e-02 -1.403 -1.510 -0.107 -1.08 NaSO4- 5.314e-03 4.176e-03 -2.275 -2.379 -0.105 -4.81 NaHCO3 3.201e-04 3.361e-04 -3.495 -3.473 0.021 31.73 - NaOH 5.445e-20 5.580e-20 -19.264 -19.253 0.011 (0) O(0) 2.127e-09 O2 1.063e-09 1.090e-09 -8.973 -8.963 0.011 30.40 S(-2) 0.000e+00 @@ -6134,10 +6097,10 @@ X 1.500e+00 mol pH = 6.254 Charge balance pe = 13.025 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7349 + Specific Conductance (µS/cm, 25°C) = 7330 Density (g/cm³) = 1.00318 Volume (L) = 1.00587 - Viscosity (mPa s) = 0.92271 + Viscosity (mPa s) = 0.92872 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.072e-01 Mass of water (kg) = 1.002e+00 @@ -6208,7 +6171,6 @@ Na 4.640e-02 Na+ 4.057e-02 3.169e-02 -1.392 -1.499 -0.107 -1.08 NaSO4- 5.500e-03 4.319e-03 -2.260 -2.365 -0.105 -4.75 NaHCO3 3.290e-04 3.457e-04 -3.483 -3.461 0.021 31.73 - NaOH 5.611e-20 5.751e-20 -19.251 -19.240 0.011 (0) O(0) 2.118e-09 O2 1.059e-09 1.085e-09 -8.975 -8.964 0.011 30.40 S(-2) 0.000e+00 @@ -6303,10 +6265,10 @@ X 1.500e+00 mol pH = 6.256 Charge balance pe = 13.023 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7401 + Specific Conductance (µS/cm, 25°C) = 7383 Density (g/cm³) = 1.00322 Volume (L) = 1.00589 - Viscosity (mPa s) = 0.92289 + Viscosity (mPa s) = 0.92886 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.079e-01 Mass of water (kg) = 1.002e+00 @@ -6377,7 +6339,6 @@ Na 4.716e-02 Na+ 4.121e-02 3.218e-02 -1.385 -1.492 -0.107 -1.08 NaSO4- 5.618e-03 4.410e-03 -2.250 -2.356 -0.105 -4.72 NaHCO3 3.347e-04 3.517e-04 -3.475 -3.454 0.022 31.73 - NaOH 5.716e-20 5.860e-20 -19.243 -19.232 0.011 (0) O(0) 2.113e-09 O2 1.056e-09 1.083e-09 -8.976 -8.965 0.011 30.40 S(-2) 0.000e+00 @@ -6472,10 +6433,10 @@ X 1.500e+00 mol pH = 6.254 Charge balance pe = 13.026 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7327 + Specific Conductance (µS/cm, 25°C) = 7309 Density (g/cm³) = 1.00317 Volume (L) = 1.00587 - Viscosity (mPa s) = 0.92267 + Viscosity (mPa s) = 0.92870 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.070e-01 Mass of water (kg) = 1.002e+00 @@ -6484,7 +6445,7 @@ X 1.500e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = 1.454e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.04 - Iterations = 4 + Iterations = 3 Total H = 1.112147e+02 Total O = 5.583587e+01 @@ -6546,7 +6507,6 @@ Na 4.591e-02 Na+ 4.015e-02 3.137e-02 -1.396 -1.503 -0.107 -1.08 NaSO4- 5.430e-03 4.265e-03 -2.265 -2.370 -0.105 -4.77 NaHCO3 3.254e-04 3.418e-04 -3.488 -3.466 0.021 31.73 - NaOH 5.546e-20 5.685e-20 -19.256 -19.245 0.011 (0) O(0) 2.120e-09 O2 1.060e-09 1.086e-09 -8.975 -8.964 0.011 30.40 S(-2) 0.000e+00 @@ -6641,10 +6601,10 @@ X 1.500e+00 mol pH = 6.247 Charge balance pe = 13.033 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7104 + Specific Conductance (µS/cm, 25°C) = 7086 Density (g/cm³) = 1.00300 Volume (L) = 1.00580 - Viscosity (mPa s) = 0.92193 + Viscosity (mPa s) = 0.92813 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.044e-01 Mass of water (kg) = 1.002e+00 @@ -6715,7 +6675,6 @@ Na 4.256e-02 Na+ 3.733e-02 2.922e-02 -1.428 -1.534 -0.106 -1.08 NaSO4- 4.924e-03 3.875e-03 -2.308 -2.412 -0.104 -4.91 NaHCO3 3.006e-04 3.154e-04 -3.522 -3.501 0.021 31.73 - NaOH 5.091e-20 5.215e-20 -19.293 -19.283 0.010 (0) O(0) 2.143e-09 O2 1.072e-09 1.098e-09 -8.970 -8.959 0.010 30.40 S(-2) 0.000e+00 @@ -6810,10 +6769,10 @@ X 1.500e+00 mol pH = 6.240 Charge balance pe = 13.042 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6863 + Specific Conductance (µS/cm, 25°C) = 6845 Density (g/cm³) = 1.00282 Volume (L) = 1.00573 - Viscosity (mPa s) = 0.92110 + Viscosity (mPa s) = 0.92747 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.014e-01 Mass of water (kg) = 1.002e+00 @@ -6884,7 +6843,6 @@ Na 3.908e-02 Na+ 3.439e-02 2.698e-02 -1.464 -1.569 -0.106 -1.09 NaSO4- 4.410e-03 3.478e-03 -2.356 -2.459 -0.103 -5.07 NaHCO3 2.750e-04 2.881e-04 -3.561 -3.540 0.020 31.73 - NaOH 4.622e-20 4.732e-20 -19.335 -19.325 0.010 (0) O(0) 2.170e-09 O2 1.085e-09 1.111e-09 -8.965 -8.954 0.010 30.40 S(-2) 0.000e+00 @@ -6979,10 +6937,10 @@ X 1.500e+00 mol pH = 6.235 Charge balance pe = 13.048 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6712 + Specific Conductance (µS/cm, 25°C) = 6694 Density (g/cm³) = 1.00270 Volume (L) = 1.00568 - Viscosity (mPa s) = 0.92056 + Viscosity (mPa s) = 0.92705 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.955e-02 Mass of water (kg) = 1.002e+00 @@ -7053,7 +7011,6 @@ Na 3.693e-02 Na+ 3.257e-02 2.558e-02 -1.487 -1.592 -0.105 -1.09 NaSO4- 4.100e-03 3.238e-03 -2.387 -2.490 -0.102 -5.17 NaHCO3 2.591e-04 2.713e-04 -3.586 -3.567 0.020 31.73 - NaOH 4.336e-20 4.436e-20 -19.363 -19.353 0.010 (0) O(0) 2.188e-09 O2 1.094e-09 1.119e-09 -8.961 -8.951 0.010 30.40 S(-2) 0.000e+00 @@ -7148,10 +7105,10 @@ X 1.500e+00 mol pH = 6.233 Charge balance pe = 13.050 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6648 + Specific Conductance (µS/cm, 25°C) = 6630 Density (g/cm³) = 1.00265 Volume (L) = 1.00566 - Viscosity (mPa s) = 0.92034 + Viscosity (mPa s) = 0.92688 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.877e-02 Mass of water (kg) = 1.002e+00 @@ -7222,7 +7179,6 @@ Na 3.603e-02 Na+ 3.180e-02 2.499e-02 -1.498 -1.602 -0.105 -1.09 NaSO4- 3.972e-03 3.139e-03 -2.401 -2.503 -0.102 -5.22 NaHCO3 2.525e-04 2.643e-04 -3.598 -3.578 0.020 31.73 - NaOH 4.217e-20 4.314e-20 -19.375 -19.365 0.010 (0) O(0) 2.195e-09 O2 1.098e-09 1.123e-09 -8.960 -8.950 0.010 30.40 S(-2) 0.000e+00 @@ -7314,7 +7270,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.771 Charge balance - pe = -3.674 Adjusted to redox equilibrium + pe = 9.265 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13140 Density (g/cm³) = 1.00436 Volume (L) = 1.00528 @@ -7325,7 +7281,7 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.733e-05 Total CO2 (mol/kg) = 3.366e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.691e-10 + Electrical balance (eq) = 6.012e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.111111e+02 @@ -7339,8 +7295,8 @@ X 1.500e+00 mol OH- 8.293e-06 5.945e-06 -5.081 -5.226 -0.145 -3.55 H+ 2.114e-09 1.696e-09 -8.675 -8.771 -0.096 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.07 -C(-4) 2.558e-24 - CH4 2.558e-24 2.665e-24 -23.592 -23.574 0.018 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -127.110 -127.092 0.018 35.46 C(4) 3.366e-05 HCO3- 2.191e-05 1.652e-05 -4.659 -4.782 -0.123 25.09 CaCO3 5.341e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -7362,8 +7318,8 @@ Ca 2.631e-02 Cl 9.991e-02 Cl- 9.991e-02 7.241e-02 -1.000 -1.140 -0.140 18.43 HCl 3.558e-11 4.231e-11 -10.449 -10.374 0.075 (0) -H(0) 8.734e-14 - H2 4.367e-14 4.548e-14 -13.360 -13.342 0.018 28.61 +H(0) 1.153e-39 + H2 5.763e-40 6.002e-40 -39.239 -39.222 0.018 28.61 K 1.988e-03 K+ 1.895e-03 1.367e-03 -2.722 -2.864 -0.142 9.32 KSO4- 9.280e-05 7.557e-05 -4.032 -4.122 -0.089 14.10 @@ -7379,14 +7335,13 @@ Na 5.295e-02 Na+ 5.000e-02 3.770e-02 -1.301 -1.424 -0.123 -0.96 NaSO4- 2.952e-03 2.230e-03 -2.530 -2.652 -0.122 -1.74 NaHCO3 4.999e-07 5.423e-07 -6.301 -6.266 0.035 31.73 - NaOH 2.152e-17 2.241e-17 -16.667 -16.650 0.018 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.717 -65.699 0.018 30.40 -S(-2) 6.707e-19 - HS- 6.638e-19 4.759e-19 -18.178 -18.323 -0.145 20.97 - H2S 6.776e-21 7.057e-21 -20.169 -20.151 0.018 36.27 - S-2 1.090e-22 3.388e-23 -21.963 -22.470 -0.507 (0) - (H2S)2 0.000e+00 0.000e+00 -41.599 -41.581 0.018 30.09 +O(0) 2.206e-14 + O2 1.103e-14 1.149e-14 -13.957 -13.940 0.018 30.40 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -121.696 -121.841 -0.145 20.97 + H2S 0.000e+00 0.000e+00 -123.687 -123.669 0.018 36.27 + S-2 0.000e+00 0.000e+00 -125.481 -125.988 -0.507 (0) + (H2S)2 0.000e+00 0.000e+00 -248.635 -248.617 0.018 30.09 S(6) 2.465e-02 SO4-2 1.188e-02 3.633e-03 -1.925 -2.440 -0.514 27.45 MgSO4 4.886e-03 5.300e-03 -2.311 -2.276 0.035 -7.92 @@ -7405,20 +7360,20 @@ S(6) 2.465e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.77 -23.57 -2.80 CH4 + CH4(g) -124.29 -127.09 -2.80 CH4 CO2(g) -5.73 -7.20 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.70 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -10.24 -13.34 -3.10 H2 + H2(g) -36.12 -39.22 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.16 -27.09 -7.94 H2S + H2S(g) -122.67 -130.61 -7.94 H2S Halite -4.13 -2.56 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.70 -1.16 MgSO4:H2O Mirabilite -4.06 -5.30 -1.24 Na2SO4:10H2O - O2(g) -62.81 -65.70 -2.89 O2 - Sulfur -14.84 -9.96 4.88 S + O2(g) -11.05 -13.94 -2.89 O2 + Sulfur -92.48 -87.60 4.88 S Sylvite -4.90 -4.00 0.90 KCl Thenardite -4.99 -5.29 -0.30 Na2SO4 @@ -7468,7 +7423,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.770 Charge balance - pe = 9.193 Adjusted to redox equilibrium + pe = -3.172 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13137 Density (g/cm³) = 1.00436 Volume (L) = 1.00528 @@ -7479,7 +7434,7 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.732e-05 Total CO2 (mol/kg) = 3.365e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.637e-11 + Electrical balance (eq) = 2.786e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.111110e+02 @@ -7493,8 +7448,8 @@ X 1.500e+00 mol OH- 8.288e-06 5.942e-06 -5.082 -5.226 -0.145 -3.55 H+ 2.115e-09 1.697e-09 -8.675 -8.770 -0.096 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.532 -126.514 0.018 35.46 +C(-4) 2.451e-28 + CH4 2.451e-28 2.552e-28 -27.611 -27.593 0.018 35.46 C(4) 3.365e-05 HCO3- 2.191e-05 1.651e-05 -4.659 -4.782 -0.123 25.09 CaCO3 5.341e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -7516,8 +7471,8 @@ Ca 2.633e-02 Cl 9.991e-02 Cl- 9.991e-02 7.241e-02 -1.000 -1.140 -0.140 18.43 HCl 3.561e-11 4.234e-11 -10.448 -10.373 0.075 (0) -H(0) 1.607e-39 - H2 8.037e-40 8.371e-40 -39.095 -39.077 0.018 28.61 +H(0) 8.639e-15 + H2 4.320e-15 4.499e-15 -14.365 -14.347 0.018 28.61 K 1.988e-03 K+ 1.896e-03 1.367e-03 -2.722 -2.864 -0.142 9.32 KSO4- 9.276e-05 7.553e-05 -4.033 -4.122 -0.089 14.10 @@ -7533,14 +7488,13 @@ Na 5.287e-02 Na+ 4.992e-02 3.764e-02 -1.302 -1.424 -0.123 -0.96 NaSO4- 2.945e-03 2.224e-03 -2.531 -2.653 -0.122 -1.75 NaHCO3 4.990e-07 5.413e-07 -6.302 -6.267 0.035 31.73 - NaOH 2.147e-17 2.236e-17 -16.668 -16.650 0.018 (0) -O(0) 1.134e-14 - O2 5.671e-15 5.906e-15 -14.246 -14.229 0.018 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -121.118 -121.263 -0.145 20.97 - H2S 0.000e+00 0.000e+00 -123.109 -123.091 0.018 36.27 - S-2 0.000e+00 0.000e+00 -124.903 -125.411 -0.507 (0) - (H2S)2 0.000e+00 0.000e+00 -247.479 -247.461 0.018 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.707 -63.689 0.018 30.40 +S(-2) 6.420e-23 + HS- 6.354e-23 4.555e-23 -22.197 -22.341 -0.145 20.97 + H2S 6.490e-25 6.760e-25 -24.188 -24.170 0.018 36.27 + S-2 1.043e-26 3.242e-27 -25.982 -26.489 -0.507 (0) + (H2S)2 0.000e+00 0.000e+00 -49.636 -49.618 0.018 30.09 S(6) 2.463e-02 SO4-2 1.187e-02 3.631e-03 -1.926 -2.440 -0.514 27.45 MgSO4 4.885e-03 5.299e-03 -2.311 -2.276 0.035 -7.92 @@ -7559,20 +7513,20 @@ S(6) 2.463e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -123.71 -126.51 -2.80 CH4 + CH4(g) -24.79 -27.59 -2.80 CH4 CO2(g) -5.73 -7.20 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.70 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -35.98 -39.08 -3.10 H2 + H2(g) -11.25 -14.35 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -122.10 -130.03 -7.94 H2S + H2S(g) -23.18 -31.11 -7.94 H2S Halite -4.13 -2.56 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.70 -1.16 MgSO4:H2O Mirabilite -4.06 -5.30 -1.24 Na2SO4:10H2O - O2(g) -11.34 -14.23 -2.89 O2 - Sulfur -92.05 -87.16 4.88 S + O2(g) -60.80 -63.69 -2.89 O2 + Sulfur -17.86 -12.97 4.88 S Sylvite -4.90 -4.00 0.90 KCl Thenardite -4.99 -5.29 -0.30 Na2SO4 @@ -7622,7 +7576,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.770 Charge balance - pe = -3.648 Adjusted to redox equilibrium + pe = -3.456 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13137 Density (g/cm³) = 1.00436 Volume (L) = 1.00528 @@ -7633,7 +7587,7 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.731e-05 Total CO2 (mol/kg) = 3.365e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.747e-10 + Electrical balance (eq) = 6.790e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.111110e+02 @@ -7647,8 +7601,8 @@ X 1.500e+00 mol OH- 8.288e-06 5.941e-06 -5.082 -5.226 -0.145 -3.55 H+ 2.115e-09 1.697e-09 -8.675 -8.770 -0.096 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.07 -C(-4) 1.580e-24 - CH4 1.580e-24 1.645e-24 -23.801 -23.784 0.018 35.46 +C(-4) 4.572e-26 + CH4 4.572e-26 4.762e-26 -25.340 -25.322 0.018 35.46 C(4) 3.365e-05 HCO3- 2.191e-05 1.651e-05 -4.659 -4.782 -0.123 25.09 CaCO3 5.341e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -7670,8 +7624,8 @@ Ca 2.633e-02 Cl 9.991e-02 Cl- 9.991e-02 7.241e-02 -1.000 -1.140 -0.140 18.43 HCl 3.561e-11 4.234e-11 -10.448 -10.373 0.075 (0) -H(0) 7.741e-14 - H2 3.870e-14 4.031e-14 -13.412 -13.395 0.018 28.61 +H(0) 3.193e-14 + H2 1.596e-14 1.663e-14 -13.797 -13.779 0.018 28.61 K 1.988e-03 K+ 1.896e-03 1.367e-03 -2.722 -2.864 -0.142 9.32 KSO4- 9.276e-05 7.553e-05 -4.033 -4.122 -0.089 14.10 @@ -7687,14 +7641,13 @@ Na 5.285e-02 Na+ 4.991e-02 3.763e-02 -1.302 -1.424 -0.123 -0.96 NaSO4- 2.944e-03 2.224e-03 -2.531 -2.653 -0.122 -1.75 NaHCO3 4.989e-07 5.412e-07 -6.302 -6.267 0.035 31.73 - NaOH 2.147e-17 2.236e-17 -16.668 -16.651 0.018 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.612 -65.594 0.018 30.40 -S(-2) 4.138e-19 - HS- 4.096e-19 2.936e-19 -18.388 -18.532 -0.145 20.97 - H2S 4.184e-21 4.358e-21 -20.378 -20.361 0.018 36.27 - S-2 6.720e-23 2.089e-23 -22.173 -22.680 -0.507 (0) - (H2S)2 0.000e+00 0.000e+00 -42.017 -42.000 0.018 30.09 + O2 0.000e+00 0.000e+00 -64.842 -64.825 0.018 30.40 +S(-2) 1.198e-20 + HS- 1.185e-20 8.498e-21 -19.926 -20.071 -0.145 20.97 + H2S 1.211e-22 1.261e-22 -21.917 -21.899 0.018 36.27 + S-2 1.945e-24 6.047e-25 -23.711 -24.218 -0.507 (0) + (H2S)2 0.000e+00 0.000e+00 -45.094 -45.077 0.018 30.09 S(6) 2.463e-02 SO4-2 1.187e-02 3.630e-03 -1.926 -2.440 -0.514 27.45 MgSO4 4.885e-03 5.299e-03 -2.311 -2.276 0.035 -7.92 @@ -7713,20 +7666,20 @@ S(6) 2.463e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.98 -23.78 -2.80 CH4 + CH4(g) -22.52 -25.32 -2.80 CH4 CO2(g) -5.73 -7.20 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.70 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -10.29 -13.39 -3.10 H2 + H2(g) -10.68 -13.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -19.37 -27.30 -7.94 H2S + H2S(g) -20.90 -28.84 -7.94 H2S Halite -4.13 -2.56 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.70 -1.16 MgSO4:H2O Mirabilite -4.06 -5.30 -1.24 Na2SO4:10H2O - O2(g) -62.70 -65.59 -2.89 O2 - Sulfur -15.00 -10.12 4.88 S + O2(g) -61.93 -64.82 -2.89 O2 + Sulfur -16.15 -11.27 4.88 S Sylvite -4.90 -4.00 0.90 KCl Thenardite -4.99 -5.29 -0.30 Na2SO4 @@ -7745,7 +7698,7 @@ Using pure phase assemblage 14. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 5.273e-12 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 5.272e-12 Dolomite 0.01 -17.07 -17.08 9.746e-01 9.746e-01 0.000e+00 Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 1.837e-08 @@ -7776,7 +7729,7 @@ X 1.500e+00 mol ----------------------------Description of solution---------------------------- pH = 8.770 Charge balance - pe = 9.264 Adjusted to redox equilibrium + pe = 9.325 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 13137 Density (g/cm³) = 1.00436 Volume (L) = 1.00528 @@ -7787,7 +7740,7 @@ X 1.500e+00 mol Total alkalinity (eq/kg) = 6.731e-05 Total CO2 (mol/kg) = 3.365e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.960e-11 + Electrical balance (eq) = -8.749e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.111110e+02 @@ -7802,7 +7755,7 @@ X 1.500e+00 mol H+ 2.115e-09 1.697e-09 -8.675 -8.770 -0.096 0.00 H2O 5.551e+01 9.964e-01 1.744 -0.002 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -127.094 -127.076 0.018 35.46 + CH4 0.000e+00 0.000e+00 -127.583 -127.565 0.018 35.46 C(4) 3.365e-05 HCO3- 2.191e-05 1.651e-05 -4.659 -4.782 -0.123 25.09 CaCO3 5.341e-06 5.563e-06 -5.272 -5.255 0.018 -14.60 @@ -7824,8 +7777,8 @@ Ca 2.633e-02 Cl 9.991e-02 Cl- 9.991e-02 7.241e-02 -1.000 -1.140 -0.140 18.43 HCl 3.561e-11 4.234e-11 -10.448 -10.373 0.075 (0) -H(0) 1.163e-39 - H2 5.817e-40 6.058e-40 -39.235 -39.218 0.018 28.61 +H(0) 8.778e-40 + H2 4.389e-40 4.571e-40 -39.358 -39.340 0.018 28.61 K 1.988e-03 K+ 1.896e-03 1.367e-03 -2.722 -2.864 -0.142 9.32 KSO4- 9.276e-05 7.553e-05 -4.033 -4.122 -0.089 14.10 @@ -7841,14 +7794,13 @@ Na 5.285e-02 Na+ 4.991e-02 3.763e-02 -1.302 -1.424 -0.123 -0.96 NaSO4- 2.944e-03 2.224e-03 -2.531 -2.653 -0.122 -1.75 NaHCO3 4.989e-07 5.412e-07 -6.302 -6.267 0.035 31.73 - NaOH 2.147e-17 2.236e-17 -16.668 -16.651 0.018 (0) -O(0) 2.165e-14 - O2 1.083e-14 1.127e-14 -13.966 -13.948 0.018 30.40 +O(0) 3.803e-14 + O2 1.902e-14 1.981e-14 -13.721 -13.703 0.018 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -121.680 -121.824 -0.145 20.97 - H2S 0.000e+00 0.000e+00 -123.671 -123.653 0.018 36.27 - S-2 0.000e+00 0.000e+00 -125.465 -125.972 -0.507 (0) - (H2S)2 0.000e+00 0.000e+00 -248.602 -248.584 0.018 30.09 + HS- 0.000e+00 0.000e+00 -122.169 -122.314 -0.145 20.97 + H2S 0.000e+00 0.000e+00 -124.160 -124.142 0.018 36.27 + S-2 0.000e+00 0.000e+00 -125.954 -126.462 -0.507 (0) + (H2S)2 0.000e+00 0.000e+00 -249.581 -249.563 0.018 30.09 S(6) 2.463e-02 SO4-2 1.187e-02 3.630e-03 -1.926 -2.440 -0.514 27.45 MgSO4 4.885e-03 5.299e-03 -2.311 -2.276 0.035 -7.92 @@ -7867,20 +7819,20 @@ S(6) 2.463e-02 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.29 -8.17 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -124.27 -127.08 -2.80 CH4 + CH4(g) -124.76 -127.57 -2.80 CH4 CO2(g) -5.73 -7.20 -1.47 CO2 Dolomite 0.01 -17.07 -17.08 CaMg(CO3)2 Epsomite -2.97 -4.70 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -36.12 -39.22 -3.10 H2 + H2(g) -36.24 -39.34 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -122.66 -130.59 -7.94 H2S + H2S(g) -123.15 -131.08 -7.94 H2S Halite -4.13 -2.56 1.57 NaCl Hexahydrite -3.14 -4.70 -1.57 MgSO4:6H2O Kieserite -3.53 -4.70 -1.16 MgSO4:H2O Mirabilite -4.06 -5.30 -1.24 Na2SO4:10H2O - O2(g) -11.06 -13.95 -2.89 O2 - Sulfur -92.47 -87.59 4.88 S + O2(g) -10.81 -13.70 -2.89 O2 + Sulfur -92.83 -87.95 4.88 S Sylvite -4.90 -4.00 0.90 KCl Thenardite -4.99 -5.29 -0.30 Na2SO4 @@ -7899,9 +7851,9 @@ Using pure phase assemblage 15. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 0.000e+00 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 -3.775e-15 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 1.110e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 1.887e-15 -----------------------------Exchange composition------------------------------ @@ -7933,10 +7885,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -8007,7 +7959,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -8068,9 +8019,9 @@ Using pure phase assemblage 16. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -8102,10 +8053,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -8176,7 +8127,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -8237,9 +8187,9 @@ Using pure phase assemblage 17. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -8271,10 +8221,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -8345,7 +8295,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -8406,9 +8355,9 @@ Using pure phase assemblage 18. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -8440,10 +8389,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -8514,7 +8463,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -8575,9 +8523,9 @@ Using pure phase assemblage 19. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -8609,10 +8557,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -8683,7 +8631,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -8744,9 +8691,9 @@ Using pure phase assemblage 20. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -8778,10 +8725,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -8852,7 +8799,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -8913,9 +8859,9 @@ Using pure phase assemblage 21. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -8947,10 +8893,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -9021,7 +8967,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -9082,9 +9027,9 @@ Using pure phase assemblage 22. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -9116,10 +9061,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -9190,7 +9135,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -9251,9 +9195,9 @@ Using pure phase assemblage 23. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -9285,10 +9229,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -9359,7 +9303,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -9420,9 +9363,9 @@ Using pure phase assemblage 24. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -9454,10 +9397,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -9528,7 +9471,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -9589,9 +9531,9 @@ Using pure phase assemblage 25. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -9623,10 +9565,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -9697,7 +9639,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -9758,9 +9699,9 @@ Using pure phase assemblage 26. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -9792,10 +9733,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -9866,7 +9807,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -9927,9 +9867,9 @@ Using pure phase assemblage 27. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -9961,10 +9901,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -10035,7 +9975,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -10096,9 +10035,9 @@ Using pure phase assemblage 28. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -10130,10 +10069,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -10204,7 +10143,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -10265,9 +10203,9 @@ Using pure phase assemblage 29. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -10299,10 +10237,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -10373,7 +10311,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 @@ -10434,9 +10371,9 @@ Using pure phase assemblage 30. Pure-phase assemblage after simulation 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 1.332e-15 +Calcite 0.00 -8.48 -8.48 1.052e+00 1.052e+00 2.220e-16 Dolomite 0.00 -17.08 -17.08 9.746e-01 9.746e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 -6.661e-16 +Gypsum 0.00 -4.58 -4.58 9.669e-01 9.669e-01 0.000e+00 -----------------------------Exchange composition------------------------------ @@ -10468,10 +10405,10 @@ X 1.500e+00 mol pH = 6.721 Charge balance pe = 12.610 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6181 + Specific Conductance (µS/cm, 25°C) = 6180 Density (g/cm³) = 1.00214 Volume (L) = 1.00466 - Viscosity (mPa s) = 0.91400 + Viscosity (mPa s) = 0.91457 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.257e-02 Mass of water (kg) = 1.001e+00 @@ -10542,7 +10479,6 @@ Na 3.370e-02 Na+ 2.950e-02 2.329e-02 -1.530 -1.633 -0.103 -1.11 NaSO4- 4.113e-03 3.266e-03 -2.386 -2.486 -0.100 -5.58 NaHCO3 8.568e-05 8.942e-05 -4.067 -4.049 0.019 31.73 - NaOH 1.212e-19 1.238e-19 -18.917 -18.907 0.009 (0) O(0) 3.408e-09 O2 1.704e-09 1.740e-09 -8.769 -8.759 0.009 30.40 S(-2) 0.000e+00 diff --git a/mytest/donly.sel b/mytest/donly.sel index c60951a4b..eaf0eca41 100644 --- a/mytest/donly.sel +++ b/mytest/donly.sel @@ -31,73 +31,73 @@ 30 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.2184e-02 9.7460e-01 -2.5403e-02 9.6695e-01 -3.3051e-02 6.7209e+00 1 4.2014e-02 1.1760e-02 1.3147e-02 3.7099e-02 3.2291e-02 8.1732e-04 1.0952e+00 3.6039e-02 9.6903e-01 -9.7035e-03 9.2597e-01 -3.7159e-02 6.2456e+00 2 4.6367e-02 1.1615e-02 1.2949e-02 3.8769e-02 3.2419e-02 8.1727e-04 1.0520e+00 5.9466e-03 9.7393e-01 -3.0500e-03 9.7052e-01 -1.9634e-03 6.2544e+00 - 3 6.8067e-02 1.8666e-02 2.3847e-02 2.7486e-02 3.4112e-05 9.9901e-02 1.0460e+00 2.2204e-16 9.7698e-01 0.0000e+00 9.7249e-01 3.8092e-13 8.8160e+00 - 4 6.8067e-02 1.8666e-02 2.3847e-02 2.7486e-02 3.4112e-05 9.9901e-02 1.0460e+00 2.2204e-16 9.7698e-01 0.0000e+00 9.7249e-01 3.8092e-13 8.8160e+00 - 5 6.8067e-02 1.8666e-02 2.3847e-02 2.7486e-02 3.4112e-05 9.9901e-02 1.0460e+00 2.2204e-16 9.7698e-01 0.0000e+00 9.7249e-01 3.8092e-13 8.8160e+00 + 3 6.8067e-02 1.8666e-02 2.3847e-02 2.7486e-02 3.4112e-05 9.9901e-02 1.0460e+00 2.2204e-16 9.7698e-01 0.0000e+00 9.7249e-01 2.4125e-13 8.8160e+00 + 4 6.8067e-02 1.8666e-02 2.3847e-02 2.7486e-02 3.4112e-05 9.9901e-02 1.0460e+00 2.2204e-16 9.7698e-01 0.0000e+00 9.7249e-01 2.4125e-13 8.8160e+00 + 5 6.8067e-02 1.8666e-02 2.3847e-02 2.7486e-02 3.4112e-05 9.9901e-02 1.0460e+00 2.2204e-16 9.7698e-01 0.0000e+00 9.7249e-01 2.4125e-13 8.8160e+00 6 5.6344e-02 2.0422e-02 2.5705e-02 2.5293e-02 3.3814e-05 9.9909e-02 1.0522e+00 3.0046e-07 9.7460e-01 0.0000e+00 9.6915e-01 2.1976e-03 8.7806e+00 - 7 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 -1.1102e-15 9.7460e-01 0.0000e+00 9.6695e-01 1.3101e-14 6.7209e+00 - 8 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.3291e-15 9.7460e-01 0.0000e+00 9.6695e-01 3.1053e-13 6.7209e+00 - 9 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.3291e-15 9.7460e-01 0.0000e+00 9.6695e-01 3.1053e-13 6.7209e+00 - 10 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.3291e-15 9.7460e-01 0.0000e+00 9.6695e-01 3.1053e-13 6.7209e+00 - 11 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.3291e-15 9.7460e-01 0.0000e+00 9.6695e-01 3.1053e-13 6.7209e+00 - 12 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.3291e-15 9.7460e-01 0.0000e+00 9.6695e-01 3.1053e-13 6.7209e+00 - 13 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.3291e-15 9.7460e-01 0.0000e+00 9.6695e-01 3.1053e-13 6.7209e+00 - 14 3.3701e-02 1.0955e-02 1.2265e-02 3.6967e-02 7.7346e-03 4.2314e-04 1.0522e+00 5.3291e-15 9.7460e-01 0.0000e+00 9.6695e-01 3.1053e-13 6.7209e+00 - 15 3.3701e-02 1.0955e-02 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13140.7301093125 + 0.176707835374 13137.9772183469 + 0.176706750537 13137.6219662791 + 0.176706668500 13137.5952195014 + 0.092574205567 6180.2423019282 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 + 0.092574205567 6180.2423019385 diff --git a/mytest/dump.phrq b/mytest/dump.phrq index 4989c7bfe..ace90046b 100644 --- a/mytest/dump.phrq +++ b/mytest/dump.phrq @@ -7,123 +7,123 @@ SOLUTION_RAW 0 Solution after simulation 1. -potential 0 -total_h 44.804973357016 -total_o 22.602486678508 - -cb -6.6613381477509e-16 + -cb 1.6653345369377e-16 -density 1.0394218774346 - -viscosity 1.1057819744848 + -viscosity 1.0974209711277 -totals Na 0.4 - O(0) 6.0692320698945e-16 - -pH 13.772522376037 + O(0) 6.0692320705675e-16 + -pH 13.77252237605 -pe 4 - -mu 0.99999999996639 - -ah2o 0.96600000000057 + -mu 1 + -ah2o 0.966 -mass_water 0.4 - -soln_vol 0.40022163188131 + -soln_vol 0.4002216318813 -total_alkalinity 0.4 -activities E -4 - H(0) -29.900000000003 - Na -0.13593679505687 - O(0) -29.900000000003 + H(0) -29.9 + Na -0.13593679504107 + O(0) -29.9 -gammas SOLUTION_RAW 1 Solution after simulation 1. -temp 25 - -pressure 0.89889137501242 + -pressure 0.89889132899972 -potential 0 -total_h 22.204296617107 - -total_o 11.102148429754 - -cb -7.5858048141642e-14 - -density 0.9899274722346 - -viscosity 64.246198795083 + -total_o 11.102148429772 + -cb -5.9615413734032e-12 + -density 0.98992747223911 + -viscosity 68.124511219293 -totals - Amm 0.20335773623741 - N(0) 0.00023522435639741 - N(3) 1.0792625655692e-17 - N(5) 8.0279811351829e-14 - Na 2.4239989093419e-07 - O(0) 2.5384315989257e-22 - -pH 11.626555455079 - -pe 4.5979896867902 - -mu 0.0045295318193431 - -ah2o 0.98262757146872 - -mass_water 0.19999998530258 - -soln_vol 0.20555343443732 - -total_alkalinity 0.20335797863729 + Amm 0.20335773607868 + N(0) 0.0002352243441432 + N(3) 1.4322929686449e-16 + N(5) 5.9719238491155e-12 + Na 2.4239989258475e-07 + O(0) 7.9757550731661e-21 + -pH 11.626555454906 + -pe 4.9722912728298 + -mu 0.0045295318328111 + -ah2o 0.98262757148225 + -mass_water 0.1999999853026 + -soln_vol 0.20555343443386 + -total_alkalinity 0.20335797847856 -activities - Amm -2.3765908441822 - E -4.5979896867902 - H(0) -35.599090291071 - N(0) -3.2301247333812 - N(3) -16.300093583423 - N(5) -12.428614356819 - Na -5.9476118440976 - O(0) -21.197041526248 + Amm -2.3765908443484 + E -4.9722912728298 + H(0) -36.347693459705 + N(0) -3.2301247560047 + N(3) -15.177188841945 + N(5) -10.55710643895 + Na -5.9476118411822 + O(0) -19.699835188968 -gammas SOLUTION_RAW 2 Solution after simulation 1. -temp 25 - -pressure 0.89889142077859 + -pressure 0.89889142302023 -potential 0 -total_h 22.204282921096 -total_o 11.102141460558 - -cb -3.2850430275316e-12 - -density 0.98992742628244 - -viscosity 64.254839888155 + -cb -3.285047689601e-12 + -density 0.98992742628253 + -viscosity 68.133689045388 -totals - Amm 0.20335785919708 - N(0) 0.00023522424923228 - N(3) 1.0058880523774e-16 - N(5) 3.3139872648853e-12 - Na 3.63602316998e-14 - O(0) 4.9797687095027e-21 + Amm 0.20335785919712 + N(0) 0.0002352242492455 + N(3) 1.0058879992577e-16 + N(5) 3.3139869731435e-12 + Na 3.6360231841993e-14 + O(0) 4.9797683586813e-21 -pH 11.626497407548 - -pe 4.9212087100061 - -mu 0.0045289051672012 + -pe 4.9212087023572 + -mu 0.0045289051672015 -ah2o 0.98262758161694 -mass_water 0.19999986201343 - -soln_vol 0.20555331387582 - -total_alkalinity 0.20335785919709 + -soln_vol 0.2055533138758 + -total_alkalinity 0.20335785919712 -activities Amm -2.376532577761 - E -4.9212087100061 - H(0) -36.24541223661 - N(0) -3.2301247101131 - N(3) -15.330668692014 - N(5) -10.812867508869 - Na -12.771515407946 - O(0) -19.904397626201 + E -4.9212087023572 + H(0) -36.245412220361 + N(0) -3.2301247100886 + N(3) -15.330668716376 + N(5) -10.812867547102 + Na -12.771515406248 + O(0) -19.9043976587 -gammas SOLUTION_RAW 3 Solution after simulation 1. -temp 25 - -pressure 0.89889149490592 + -pressure 0.89889149600296 -potential 0 -total_h 22.204282921094 -total_o 11.102141460551 - -cb -1.2060400421399e-12 - -density 0.98992742628471 - -viscosity 64.254839967839 + -cb -1.2059934214464e-12 + -density 0.98992742628467 + -viscosity 68.133689130011 -totals - Amm 0.20335785921038 - N(0) 0.00023522426112979 - N(3) 5.4830593203697e-17 - N(5) 1.2054234957721e-12 - Na 3.678553862061e-21 - O(0) 2.2173804642305e-21 - -pH 11.62649740756 - -pe 4.8333664712379 - -mu 0.0045289051617923 - -ah2o 0.98262758161549 + Amm 0.20335785921298 + N(0) 0.0002352242613672 + N(3) 5.4869631042144e-17 + N(5) 1.2068542141091e-12 + Na 3.6501510693042e-21 + O(0) 2.2194856623962e-21 + -pH 11.626497407563 + -pe 4.8334695029688 + -mu 0.0045289051618255 + -ah2o 0.98262758161526 -mass_water 0.19999986201341 - -soln_vol 0.2055533138756 - -total_alkalinity 0.20335785921038 + -soln_vol 0.20555331387565 + -total_alkalinity 0.20335785921298 -activities - Amm -2.3765325777453 - E -4.8333664712379 - H(0) -36.069727798403 - N(0) -3.2301246881469 - N(3) -15.594195338331 - N(5) -11.252078691655 - Na -19.766464930516 - O(0) -20.255766502616 + Amm -2.3765325777423 + E -4.8334695029688 + H(0) -36.069933893034 + N(0) -3.2301246877085 + N(3) -15.593886196163 + N(5) -11.251563532767 + Na -19.769831210927 + O(0) -20.255354313355 -gammas SOLUTION_RAW 4 Solution after simulation 1. -temp 25 @@ -133,15 +133,15 @@ SOLUTION_RAW 4 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2063062137732e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919675 - N(0) 0.0002352242562413 - N(3) 5.4850293730571e-17 - N(5) 1.2061454345177e-12 - O(0) 2.2184428260689e-21 + N(0) 0.00023522425624131 + N(3) 5.4850293735736e-17 + N(5) 1.206145434707e-12 + O(0) 2.2184428263473e-21 -pH 11.626497407545 - -pe 4.8334184771445 + -pe 4.8334184771581 -mu 0.00452890516164 -ah2o 0.98262758161686 -mass_water 0.19999986201341 @@ -149,11 +149,11 @@ SOLUTION_RAW 4 Solution after simulation 1. -total_alkalinity 0.20335785919675 -activities Amm -2.3765325777595 - E -4.8334184771445 + E -4.8334184771581 H(0) -29.999547109484 N(0) -29.999547109484 N(3) -30.032188647984 - N(5) -11.251818666723 + N(5) -11.251818666655 O(0) -29.999547109484 -gammas SOLUTION_RAW 5 Solution after simulation 1. @@ -164,7 +164,7 @@ SOLUTION_RAW 5 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.00023522425624049 @@ -195,7 +195,7 @@ SOLUTION_RAW 6 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -226,7 +226,7 @@ SOLUTION_RAW 7 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -257,7 +257,7 @@ SOLUTION_RAW 8 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -288,7 +288,7 @@ SOLUTION_RAW 9 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -319,7 +319,7 @@ SOLUTION_RAW 10 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -350,7 +350,7 @@ SOLUTION_RAW 11 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -381,7 +381,7 @@ SOLUTION_RAW 12 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -412,7 +412,7 @@ SOLUTION_RAW 13 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -443,7 +443,7 @@ SOLUTION_RAW 14 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -474,7 +474,7 @@ SOLUTION_RAW 15 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -505,7 +505,7 @@ SOLUTION_RAW 16 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -536,7 +536,7 @@ SOLUTION_RAW 17 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -567,7 +567,7 @@ SOLUTION_RAW 18 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -598,7 +598,7 @@ SOLUTION_RAW 19 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -629,7 +629,7 @@ SOLUTION_RAW 20 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -660,7 +660,7 @@ SOLUTION_RAW 21 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -691,7 +691,7 @@ SOLUTION_RAW 22 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -722,7 +722,7 @@ SOLUTION_RAW 23 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -753,7 +753,7 @@ SOLUTION_RAW 24 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -784,7 +784,7 @@ SOLUTION_RAW 25 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -815,7 +815,7 @@ SOLUTION_RAW 26 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -846,7 +846,7 @@ SOLUTION_RAW 27 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -877,7 +877,7 @@ SOLUTION_RAW 28 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -908,7 +908,7 @@ SOLUTION_RAW 29 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -939,7 +939,7 @@ SOLUTION_RAW 30 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -970,7 +970,7 @@ SOLUTION_RAW 31 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1001,7 +1001,7 @@ SOLUTION_RAW 32 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1032,7 +1032,7 @@ SOLUTION_RAW 33 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1063,7 +1063,7 @@ SOLUTION_RAW 34 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1094,7 +1094,7 @@ SOLUTION_RAW 35 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1125,7 +1125,7 @@ SOLUTION_RAW 36 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1156,7 +1156,7 @@ SOLUTION_RAW 37 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1187,7 +1187,7 @@ SOLUTION_RAW 38 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1218,7 +1218,7 @@ SOLUTION_RAW 39 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1249,7 +1249,7 @@ SOLUTION_RAW 40 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1280,7 +1280,7 @@ SOLUTION_RAW 41 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1311,7 +1311,7 @@ SOLUTION_RAW 42 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1342,7 +1342,7 @@ SOLUTION_RAW 43 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1373,7 +1373,7 @@ SOLUTION_RAW 44 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1404,7 +1404,7 @@ SOLUTION_RAW 45 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1435,7 +1435,7 @@ SOLUTION_RAW 46 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1466,7 +1466,7 @@ SOLUTION_RAW 47 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1497,7 +1497,7 @@ SOLUTION_RAW 48 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1528,7 +1528,7 @@ SOLUTION_RAW 49 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1559,7 +1559,7 @@ SOLUTION_RAW 50 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1590,7 +1590,7 @@ SOLUTION_RAW 51 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1621,7 +1621,7 @@ SOLUTION_RAW 52 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1652,7 +1652,7 @@ SOLUTION_RAW 53 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1683,7 +1683,7 @@ SOLUTION_RAW 54 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1714,7 +1714,7 @@ SOLUTION_RAW 55 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1745,7 +1745,7 @@ SOLUTION_RAW 56 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1776,7 +1776,7 @@ SOLUTION_RAW 57 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1807,7 +1807,7 @@ SOLUTION_RAW 58 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1838,7 +1838,7 @@ SOLUTION_RAW 59 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1869,7 +1869,7 @@ SOLUTION_RAW 60 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1900,7 +1900,7 @@ SOLUTION_RAW 61 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1931,7 +1931,7 @@ SOLUTION_RAW 62 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1962,7 +1962,7 @@ SOLUTION_RAW 63 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -1993,7 +1993,7 @@ SOLUTION_RAW 64 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2024,7 +2024,7 @@ SOLUTION_RAW 65 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2055,7 +2055,7 @@ SOLUTION_RAW 66 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2086,7 +2086,7 @@ SOLUTION_RAW 67 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2117,7 +2117,7 @@ SOLUTION_RAW 68 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2148,7 +2148,7 @@ SOLUTION_RAW 69 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2179,7 +2179,7 @@ SOLUTION_RAW 70 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2210,7 +2210,7 @@ SOLUTION_RAW 71 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2241,7 +2241,7 @@ SOLUTION_RAW 72 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2272,7 +2272,7 @@ SOLUTION_RAW 73 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2303,7 +2303,7 @@ SOLUTION_RAW 74 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2334,7 +2334,7 @@ SOLUTION_RAW 75 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2365,7 +2365,7 @@ SOLUTION_RAW 76 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2396,7 +2396,7 @@ SOLUTION_RAW 77 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2427,7 +2427,7 @@ SOLUTION_RAW 78 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2458,7 +2458,7 @@ SOLUTION_RAW 79 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2489,7 +2489,7 @@ SOLUTION_RAW 80 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2520,7 +2520,7 @@ SOLUTION_RAW 81 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2551,7 +2551,7 @@ SOLUTION_RAW 82 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2582,7 +2582,7 @@ SOLUTION_RAW 83 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2613,7 +2613,7 @@ SOLUTION_RAW 84 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2644,7 +2644,7 @@ SOLUTION_RAW 85 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2675,7 +2675,7 @@ SOLUTION_RAW 86 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2706,7 +2706,7 @@ SOLUTION_RAW 87 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2737,7 +2737,7 @@ SOLUTION_RAW 88 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2768,7 +2768,7 @@ SOLUTION_RAW 89 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2799,7 +2799,7 @@ SOLUTION_RAW 90 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2830,7 +2830,7 @@ SOLUTION_RAW 91 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2861,7 +2861,7 @@ SOLUTION_RAW 92 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2892,7 +2892,7 @@ SOLUTION_RAW 93 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2923,7 +2923,7 @@ SOLUTION_RAW 94 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2954,7 +2954,7 @@ SOLUTION_RAW 95 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -2985,7 +2985,7 @@ SOLUTION_RAW 96 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -3016,7 +3016,7 @@ SOLUTION_RAW 97 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.0002352242562405 @@ -3047,7 +3047,7 @@ SOLUTION_RAW 98 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2062969980547e-12 -density 0.98992742628443 - -viscosity 64.254839965359 + -viscosity 68.133689127078 -totals Amm 0.20335785919674 N(0) 0.00023522425624024 @@ -3078,7 +3078,7 @@ SOLUTION_RAW 99 Solution after simulation 1. -total_o 11.102141460551 -cb -1.2059923372443e-12 -density 0.98992742628443 - -viscosity 64.254839965346 + -viscosity 68.133689127065 -totals Amm 0.20335785919666 N(0) 0.00023522425624144 @@ -3109,7 +3109,7 @@ SOLUTION_RAW 100 Solution after simulation 1. -total_o 11.102141460007 -cb -1.2065008280632e-12 -density 0.98992743049516 - -viscosity 64.254820751446 + -viscosity 68.13366875597 -totals Amm 0.20335773630513 N(0) 0.00023522424365889 @@ -3140,7 +3140,7 @@ SOLUTION_RAW 101 Solution after simulation 1. -total_o 11.101243359383 -cb -6.0807403404978e-18 -density 0.99704301396421 - -viscosity 0.89002433346057 + -viscosity 0.89002433303495 -totals -pH 6.9973757256035 -pe 4 @@ -3157,106 +3157,106 @@ SOLUTION_RAW 101 Solution after simulation 1. GAS_PHASE_RAW 1 Gas phase after simulation 1. # GAS_PHASE_MODIFY candidate identifiers # -type 1 - -total_p 0.89889137013474 + -total_p 0.89889132412206 -volume 1 -component Amm(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.00066547803129202 + -moles 0.0006654780306087 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.1 # GasComp workspace variables # - -initial_moles 0.00066547803461225 - -p 0.01627384644137 - -phi 0.99547628137247 - -f 0.016200228139081 + -initial_moles 0.00066547803392892 + -p 0.016273846424996 + -phi 0.99547628159787 + -f 0.016200228126449 -component N2(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.036092425515686 + -moles 0.036092423634032 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.9 # GasComp workspace variables # - -initial_moles 0.036092425517165 - -p 0.88261755147422 - -phi 0.99959394130566 - -f 0.88225915694367 + -initial_moles 0.036092423635514 + -p 0.8826175054778 + -phi 0.99959394132647 + -f 0.88225911098429 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -new_def 0 -solution_equilibria 0 -n_solution -99 -temperature 303.15 # GasPhase workspace variables # - -total_moles 0.036757903546978 - -v_m 27.205034411923 + -total_moles 0.036757901664641 + -v_m 27.205035805063 -pr_in 1 -totals GAS_PHASE_RAW 2 Gas phase after simulation 1. # GAS_PHASE_MODIFY candidate identifiers # -type 1 - -total_p 0.89889142077859 + -total_p 0.89889142302023 -volume 1 -component Amm(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.00066547836693402 + -moles 0.00066547836531217 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.1 # GasComp workspace variables # - -initial_moles 0.00066547836693417 - -p 0.016273854648569 - -phi 0.99547628107007 - -f 0.016200236304233 + -initial_moles 0.00066547836531235 + -p 0.016273854648576 + -phi 0.99547628106982 + -f 0.016200236304235 -component N2(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.036092426116006 + -moles 0.036092426030058 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.9 # GasComp workspace variables # - -initial_moles 0.036092426116024 - -p 0.88261756611593 - -phi 0.99959394128377 - -f 0.88225917156011 + -initial_moles 0.036092426030076 + -p 0.88261756616555 + -phi 0.99959394128375 + -f 0.88225917160969 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -new_def 0 -solution_equilibria 0 -n_solution -99 -temperature 303.15 # GasPhase workspace variables # - -total_moles 0.03675790448294 - -v_m 27.205032877552 + -total_moles 0.03675790439537 + -v_m 27.205032809681 -pr_in 1 -totals GAS_PHASE_RAW 3 Gas phase after simulation 1. # GAS_PHASE_MODIFY candidate identifiers # -type 1 - -total_p 0.89889149490592 + -total_p 0.89889149600296 -volume 1 -component Amm(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.00066547834533193 + -moles 0.00066547834519151 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.1 # GasComp workspace variables # - -initial_moles 0.00066547834533193 - -p 0.016273854653196 - -phi 0.9954762808513 - -f 0.016200236305279 + -initial_moles 0.00066547834519151 + -p 0.016273854653476 + -phi 0.99547628084693 + -f 0.016200236305486 -component N2(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.036092426760369 + -moles 0.036092426788576 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.9 # GasComp workspace variables # - -initial_moles 0.036092426760365 - -p 0.88261761077503 - -phi 0.99959394126357 - -f 0.88225921618325 + -initial_moles 0.036092426788573 + -p 0.88261761166621 + -phi 0.99959394126316 + -f 0.88225921707371 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -new_def 0 -solution_equilibria 0 -n_solution -99 -temperature 303.15 # GasPhase workspace variables # - -total_moles 0.036757905105701 - -v_m 27.205030633207 + -total_moles 0.036757905133767 + -v_m 27.205030599991 -pr_in 1 -totals GAS_PHASE_RAW 4 Gas phase after simulation 1. @@ -3266,31 +3266,31 @@ GAS_PHASE_RAW 4 Gas phase after simulation 1. -volume 1 -component Amm(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.00066547834506868 + -moles 0.00066547834506865 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.1 # GasComp workspace variables # - -initial_moles 0.0006654783450687 - -p 0.016273854650597 - -phi 0.99547628094337 + -initial_moles 0.00066547834506867 + -p 0.016273854650595 + -phi 0.99547628094348 -f 0.016200236304189 -component N2(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 0.036092426001475 + -moles 0.03609242600148 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.9 # GasComp workspace variables # - -initial_moles 0.036092426001478 - -p 0.88261759242491 + -initial_moles 0.036092426001483 + -p 0.88261759242497 -phi 0.99959394127182 - -f 0.88225919784787 + -f 0.88225919784792 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -new_def 0 -solution_equilibria 0 -n_solution -99 -temperature 303.15 # GasPhase workspace variables # - -total_moles 0.036757904346544 + -total_moles 0.036757904346548 -v_m 27.205031182634 -pr_in 1 -totals diff --git a/mytest/dump_test.out b/mytest/dump_test.out index cb29c65de..02f81a05a 100644 --- a/mytest/dump_test.out +++ b/mytest/dump_test.out @@ -80,17 +80,17 @@ Initial solution 0. pH = 13.773 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 179536 + Specific Conductance (µS/cm, 25°C) = 179694 Density (g/cm³) = 1.03942 Volume (L) = 0.40022 - Viscosity (mPa s) = 1.10578 + Viscosity (mPa s) = 1.09742 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 4.000e-01 Total alkalinity (eq/kg) = 1.000e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.661e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.665e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 4.480497e+01 Total O = 2.260249e+01 @@ -100,14 +100,13 @@ Initial solution 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.000e+00 5.791e-01 -0.000 -0.237 -0.237 -2.10 + OH- 1.000e+00 5.791e-01 0.000 -0.237 -0.237 -2.10 H+ 2.272e-14 1.688e-14 -13.644 -13.773 -0.129 0.00 H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 H(0) 3.206e-39 H2 1.603e-39 2.018e-39 -38.795 -38.695 0.100 28.61 Na 1.000e+00 - Na+ 1.000e+00 7.312e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 3.364e-11 4.235e-11 -10.473 -10.373 0.100 (0) + Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 O(0) 1.517e-15 O2 7.587e-16 9.551e-16 -15.120 -15.020 0.100 30.40 @@ -134,10 +133,10 @@ Initial solution 1. pH = 11.623 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 1048 + Specific Conductance (µS/cm, 25°C) = 1047 Density (g/cm³) = 0.99005 Volume (L) = 0.20547 - Viscosity (mPa s) = 63.72931 + Viscosity (mPa s) = 67.57597 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.491e-03 Mass of water (kg) = 2.000e-01 @@ -262,20 +261,20 @@ N2(g) -0.06 8.810e-01 1.000 3.621e-02 3.602e-02 -1.867e-04 ----------------------------Description of solution---------------------------- pH = 13.773 Charge balance - pe = -8.655 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 179352 + pe = 1.552 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 179506 Density (g/cm³) = 1.03933 Volume (L) = 0.40033 - Viscosity (mPa s) = 1.11057 + Viscosity (mPa s) = 1.10234 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 4.000e-01 Total alkalinity (eq/kg) = 1.010e+00 Temperature (°C) = 25.00 Pressure (atm) = 0.88 - Electrical balance (eq) = -8.032e-14 + Electrical balance (eq) = -1.003e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 35 + Iterations = 28 Total H = 4.480497e+01 Total O = 2.260249e+01 @@ -290,29 +289,28 @@ N2(g) -0.06 8.810e-01 1.000 3.621e-02 3.602e-02 -1.867e-04 Amm 1.004e-02 Amm 1.004e-02 1.264e-02 -1.998 -1.898 0.100 24.42 AmmH+ 7.133e-07 3.743e-07 -6.147 -6.427 -0.280 18.58 -H(0) 6.553e-14 - H2 3.276e-14 4.125e-14 -13.485 -13.385 0.100 28.61 +H(0) 2.520e-34 + H2 1.260e-34 1.586e-34 -33.900 -33.800 0.100 28.61 N(0) 9.335e-04 N2 4.667e-04 5.876e-04 -3.331 -3.231 0.100 29.29 -N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -47.234 -47.491 -0.257 25.88 -N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -65.585 -65.842 -0.257 30.49 +N(3) 2.445e-17 + NO2- 2.445e-17 1.353e-17 -16.612 -16.869 -0.257 25.88 +N(5) 2.837e-15 + NO3- 2.837e-15 1.570e-15 -14.547 -14.804 -0.257 30.49 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 3.364e-11 4.235e-11 -10.473 -10.373 0.100 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.741 -65.641 0.100 30.40 +O(0) 2.455e-25 + O2 1.228e-25 1.545e-25 -24.911 -24.811 0.100 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Amm(g) -3.69 -1.90 1.80 Amm Pressure 0.0 atm, phi 0.996 - H2(g) -10.28 -13.38 -3.10 H2 + H2(g) -30.70 -33.80 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O N2(g) -0.06 -3.23 -3.18 N2 Pressure 0.9 atm, phi 1.000 - O2(g) -62.75 -65.64 -2.89 O2 + O2(g) -21.92 -24.81 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -337,18 +335,18 @@ Using solution 0. pH = 13.773 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 179536 + Specific Conductance (µS/cm, 25°C) = 179694 Density (g/cm³) = 1.03942 Volume (L) = 0.40022 - Viscosity (mPa s) = 1.10578 + Viscosity (mPa s) = 1.09742 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 4.000e-01 Total alkalinity (eq/kg) = 1.000e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.661e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (35 overall) + Electrical balance (eq) = 1.665e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 0 (28 overall) Total H = 4.480497e+01 Total O = 2.260249e+01 @@ -357,14 +355,13 @@ Using solution 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.000e+00 5.791e-01 -0.000 -0.237 -0.237 -2.10 + OH- 1.000e+00 5.791e-01 0.000 -0.237 -0.237 -2.10 H+ 2.272e-14 1.688e-14 -13.644 -13.773 -0.129 0.00 H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 H(0) 3.206e-39 H2 1.603e-39 2.018e-39 -38.795 -38.695 0.100 28.61 Na 1.000e+00 - Na+ 1.000e+00 7.312e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 3.364e-11 4.235e-11 -10.473 -10.373 0.100 (0) + Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 O(0) 1.517e-15 O2 7.587e-16 9.551e-16 -15.120 -15.020 0.100 30.40 @@ -407,10 +404,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -419,7 +416,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = -1.269e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 (62 overall) + Iterations = 27 (55 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -486,10 +483,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -498,7 +495,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.894e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (79 overall) + Iterations = 17 (72 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -565,10 +562,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -577,7 +574,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (96 overall) + Iterations = 17 (89 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -644,10 +641,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -656,7 +653,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (113 overall) + Iterations = 17 (106 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -723,10 +720,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -735,7 +732,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (130 overall) + Iterations = 17 (123 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -802,10 +799,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -814,7 +811,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (147 overall) + Iterations = 17 (140 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -881,10 +878,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -893,7 +890,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (164 overall) + Iterations = 17 (157 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -960,10 +957,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -972,7 +969,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (181 overall) + Iterations = 17 (174 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1039,10 +1036,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1051,7 +1048,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (198 overall) + Iterations = 17 (191 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1118,10 +1115,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1130,7 +1127,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (215 overall) + Iterations = 17 (208 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1197,10 +1194,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1209,7 +1206,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (232 overall) + Iterations = 17 (225 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1276,10 +1273,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1288,7 +1285,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (249 overall) + Iterations = 17 (242 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1355,10 +1352,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1367,7 +1364,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (266 overall) + Iterations = 17 (259 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1434,10 +1431,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1446,7 +1443,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (283 overall) + Iterations = 17 (276 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1513,10 +1510,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1525,7 +1522,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (300 overall) + Iterations = 17 (293 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1592,10 +1589,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1604,7 +1601,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (317 overall) + Iterations = 17 (310 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1671,10 +1668,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1683,7 +1680,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (334 overall) + Iterations = 17 (327 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1750,10 +1747,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1762,7 +1759,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (351 overall) + Iterations = 17 (344 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1829,10 +1826,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1841,7 +1838,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (368 overall) + Iterations = 17 (361 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1908,10 +1905,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1920,7 +1917,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (385 overall) + Iterations = 17 (378 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -1987,10 +1984,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -1999,7 +1996,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (402 overall) + Iterations = 17 (395 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2066,10 +2063,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2078,7 +2075,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (419 overall) + Iterations = 17 (412 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2145,10 +2142,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2157,7 +2154,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (436 overall) + Iterations = 17 (429 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2224,10 +2221,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2236,7 +2233,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (453 overall) + Iterations = 17 (446 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2303,10 +2300,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2315,7 +2312,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (470 overall) + Iterations = 17 (463 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2382,10 +2379,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2394,7 +2391,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (487 overall) + Iterations = 17 (480 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2461,10 +2458,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2473,7 +2470,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (504 overall) + Iterations = 17 (497 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2540,10 +2537,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2552,7 +2549,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (521 overall) + Iterations = 17 (514 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2619,10 +2616,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2631,7 +2628,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (538 overall) + Iterations = 17 (531 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2698,10 +2695,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2710,7 +2707,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (555 overall) + Iterations = 17 (548 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2777,10 +2774,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2789,7 +2786,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (572 overall) + Iterations = 17 (565 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2856,10 +2853,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2868,7 +2865,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (589 overall) + Iterations = 17 (582 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -2935,10 +2932,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -2947,7 +2944,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (606 overall) + Iterations = 17 (599 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3014,10 +3011,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3026,7 +3023,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (623 overall) + Iterations = 17 (616 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3093,10 +3090,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3105,7 +3102,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (640 overall) + Iterations = 17 (633 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3172,10 +3169,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3184,7 +3181,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (657 overall) + Iterations = 17 (650 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3251,10 +3248,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3263,7 +3260,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (674 overall) + Iterations = 17 (667 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3330,10 +3327,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3342,7 +3339,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (691 overall) + Iterations = 17 (684 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3409,10 +3406,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3421,7 +3418,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (708 overall) + Iterations = 17 (701 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3488,10 +3485,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3500,7 +3497,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (725 overall) + Iterations = 17 (718 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3567,10 +3564,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3579,7 +3576,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (742 overall) + Iterations = 17 (735 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3646,10 +3643,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3658,7 +3655,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (759 overall) + Iterations = 17 (752 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3725,10 +3722,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3737,7 +3734,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (776 overall) + Iterations = 17 (769 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3804,10 +3801,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3816,7 +3813,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (793 overall) + Iterations = 17 (786 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3883,10 +3880,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3895,7 +3892,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (810 overall) + Iterations = 17 (803 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -3962,10 +3959,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -3974,7 +3971,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (827 overall) + Iterations = 17 (820 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4041,10 +4038,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4053,7 +4050,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (844 overall) + Iterations = 17 (837 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4120,10 +4117,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4132,7 +4129,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (861 overall) + Iterations = 17 (854 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4199,10 +4196,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4211,7 +4208,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (878 overall) + Iterations = 17 (871 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4278,10 +4275,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4290,7 +4287,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (895 overall) + Iterations = 17 (888 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4357,10 +4354,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4369,7 +4366,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (912 overall) + Iterations = 17 (905 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4436,10 +4433,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4448,7 +4445,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (929 overall) + Iterations = 17 (922 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4515,10 +4512,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4527,7 +4524,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (946 overall) + Iterations = 17 (939 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4594,10 +4591,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4606,7 +4603,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (963 overall) + Iterations = 17 (956 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4673,10 +4670,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4685,7 +4682,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (980 overall) + Iterations = 17 (973 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4752,10 +4749,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4764,7 +4761,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (997 overall) + Iterations = 17 (990 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4831,10 +4828,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4843,7 +4840,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1014 overall) + Iterations = 17 (1007 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4910,10 +4907,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -4922,7 +4919,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1031 overall) + Iterations = 17 (1024 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -4989,10 +4986,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5001,7 +4998,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1048 overall) + Iterations = 17 (1041 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5068,10 +5065,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5080,7 +5077,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1065 overall) + Iterations = 17 (1058 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5147,10 +5144,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5159,7 +5156,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1082 overall) + Iterations = 17 (1075 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5226,10 +5223,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5238,7 +5235,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1099 overall) + Iterations = 17 (1092 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5305,10 +5302,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5317,7 +5314,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1116 overall) + Iterations = 17 (1109 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5384,10 +5381,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5396,7 +5393,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1133 overall) + Iterations = 17 (1126 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5463,10 +5460,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5475,7 +5472,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1150 overall) + Iterations = 17 (1143 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5542,10 +5539,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5554,7 +5551,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1167 overall) + Iterations = 17 (1160 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5621,10 +5618,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5633,7 +5630,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1184 overall) + Iterations = 17 (1177 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5700,10 +5697,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5712,7 +5709,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1201 overall) + Iterations = 17 (1194 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5779,10 +5776,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5791,7 +5788,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1218 overall) + Iterations = 17 (1211 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5858,10 +5855,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5870,7 +5867,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1235 overall) + Iterations = 17 (1228 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -5937,10 +5934,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -5949,7 +5946,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1252 overall) + Iterations = 17 (1245 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6016,10 +6013,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6028,7 +6025,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1269 overall) + Iterations = 17 (1262 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6095,10 +6092,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6107,7 +6104,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1286 overall) + Iterations = 17 (1279 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6174,10 +6171,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6186,7 +6183,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1303 overall) + Iterations = 17 (1296 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6253,10 +6250,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6265,7 +6262,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1320 overall) + Iterations = 17 (1313 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6332,10 +6329,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6344,7 +6341,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1337 overall) + Iterations = 17 (1330 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6411,10 +6408,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6423,7 +6420,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1354 overall) + Iterations = 17 (1347 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6490,10 +6487,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6502,7 +6499,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1371 overall) + Iterations = 17 (1364 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6569,10 +6566,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6581,7 +6578,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1388 overall) + Iterations = 17 (1381 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6648,10 +6645,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6660,7 +6657,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1405 overall) + Iterations = 17 (1398 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6727,10 +6724,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6739,7 +6736,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1422 overall) + Iterations = 17 (1415 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6806,10 +6803,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6818,7 +6815,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1439 overall) + Iterations = 17 (1432 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6885,10 +6882,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6897,7 +6894,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1456 overall) + Iterations = 17 (1449 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -6964,10 +6961,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -6976,7 +6973,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1473 overall) + Iterations = 17 (1466 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7043,10 +7040,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7055,7 +7052,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1490 overall) + Iterations = 17 (1483 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7122,10 +7119,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7134,7 +7131,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1507 overall) + Iterations = 17 (1500 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7201,10 +7198,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7213,7 +7210,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1524 overall) + Iterations = 17 (1517 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7280,10 +7277,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7292,7 +7289,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1541 overall) + Iterations = 17 (1534 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7359,10 +7356,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7371,7 +7368,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1558 overall) + Iterations = 17 (1551 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7438,10 +7435,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7450,7 +7447,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1575 overall) + Iterations = 17 (1568 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7517,10 +7514,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7529,7 +7526,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1592 overall) + Iterations = 17 (1585 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7596,10 +7593,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7608,7 +7605,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1609 overall) + Iterations = 17 (1602 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7675,10 +7672,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7687,7 +7684,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1626 overall) + Iterations = 17 (1619 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7754,10 +7751,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7766,7 +7763,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1643 overall) + Iterations = 17 (1636 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7833,10 +7830,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7845,7 +7842,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1660 overall) + Iterations = 17 (1653 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7912,10 +7909,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -7924,7 +7921,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1677 overall) + Iterations = 17 (1670 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -7991,10 +7988,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8003,7 +8000,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1694 overall) + Iterations = 17 (1687 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -8070,10 +8067,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8082,7 +8079,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1711 overall) + Iterations = 17 (1704 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -8149,10 +8146,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8161,7 +8158,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1728 overall) + Iterations = 17 (1721 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -8228,10 +8225,10 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 3.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8240,7 +8237,7 @@ N2(g) -0.05 8.826e-01 1.000 3.621e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = 8.929e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 (1745 overall) + Iterations = 17 (1738 overall) Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -8302,7 +8299,7 @@ Using solution 101. Temperature (°C) = 25.00 Electrical balance (eq) = -6.081e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (1745 overall) + Iterations = 0 (1738 overall) Total H = 2.220249e+01 Total O = 1.110124e+01 @@ -8348,17 +8345,17 @@ Using solution 0. Solution after simulation 1. pH = 13.773 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 179536 + Specific Conductance (µS/cm, 25°C) = 179694 Density (g/cm³) = 1.03942 Volume (L) = 0.40022 - Viscosity (mPa s) = 1.10578 + Viscosity (mPa s) = 1.09742 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 4.000e-01 Total alkalinity (eq/kg) = 1.000e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.661e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.665e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 4.480497e+01 Total O = 2.260249e+01 @@ -8368,14 +8365,13 @@ Using solution 0. Solution after simulation 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.000e+00 5.791e-01 -0.000 -0.237 -0.237 -2.10 + OH- 1.000e+00 5.791e-01 0.000 -0.237 -0.237 -2.10 H+ 2.272e-14 1.688e-14 -13.644 -13.773 -0.129 0.00 H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 H(0) 3.206e-39 H2 1.603e-39 2.018e-39 -38.795 -38.695 0.100 28.61 Na 1.000e+00 - Na+ 1.000e+00 7.312e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 3.364e-11 4.235e-11 -10.473 -10.373 0.100 (0) + Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 O(0) 1.517e-15 O2 7.587e-16 9.551e-16 -15.120 -15.020 0.100 30.40 @@ -8425,10 +8421,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = -6.046 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25475 + Viscosity (mPa s) = 68.13360 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8462,7 +8458,6 @@ N(5) 0.000e+00 NO3- 0.000e+00 0.000e+00 -65.615 -65.647 -0.032 29.52 Na 1.200e-08 Na+ 1.200e-08 1.117e-08 -7.921 -7.952 -0.031 -1.43 - NaOH 4.696e-21 4.701e-21 -20.328 -20.328 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.772 -63.772 0.000 30.40 @@ -8513,10 +8508,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.920 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8598,10 +8593,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8683,10 +8678,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8768,10 +8763,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8853,10 +8848,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -8938,10 +8933,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9023,10 +9018,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9108,10 +9103,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9193,10 +9188,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9278,10 +9273,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9363,10 +9358,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9448,10 +9443,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9533,10 +9528,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9618,10 +9613,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9703,10 +9698,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9788,10 +9783,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9873,10 +9868,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -9958,10 +9953,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10043,10 +10038,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10128,10 +10123,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10213,10 +10208,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10298,10 +10293,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10383,10 +10378,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10468,10 +10463,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10553,10 +10548,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10638,10 +10633,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10723,10 +10718,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10808,10 +10803,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10893,10 +10888,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -10978,10 +10973,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11063,10 +11058,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11148,10 +11143,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11233,10 +11228,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11318,10 +11313,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11403,10 +11398,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11488,10 +11483,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11573,10 +11568,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11658,10 +11653,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11743,10 +11738,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11828,10 +11823,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11913,10 +11908,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -11998,10 +11993,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12083,10 +12078,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12168,10 +12163,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12253,10 +12248,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12338,10 +12333,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12423,10 +12418,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12508,10 +12503,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12593,10 +12588,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12678,10 +12673,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12763,10 +12758,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12848,10 +12843,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -12933,10 +12928,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13018,10 +13013,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13103,10 +13098,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13188,10 +13183,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13273,10 +13268,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13358,10 +13353,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13443,10 +13438,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13528,10 +13523,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13613,10 +13608,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13698,10 +13693,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13783,10 +13778,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13868,10 +13863,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -13953,10 +13948,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14038,10 +14033,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14123,10 +14118,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14208,10 +14203,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14293,10 +14288,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14378,10 +14373,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14463,10 +14458,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14548,10 +14543,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14633,10 +14628,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14718,10 +14713,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14803,10 +14798,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14888,10 +14883,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -14973,10 +14968,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15058,10 +15053,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15143,10 +15138,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15228,10 +15223,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15313,10 +15308,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15398,10 +15393,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15483,10 +15478,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15568,10 +15563,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15653,10 +15648,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15738,10 +15733,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15823,10 +15818,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15908,10 +15903,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -15993,10 +15988,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16078,10 +16073,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16163,10 +16158,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16248,10 +16243,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16333,10 +16328,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16418,10 +16413,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16503,10 +16498,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16588,10 +16583,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16673,10 +16668,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16758,10 +16753,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -16843,10 +16838,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17057,17 +17052,17 @@ Using solution 0. Solution after simulation 1. pH = 13.773 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 179536 + Specific Conductance (µS/cm, 25°C) = 179694 Density (g/cm³) = 1.03942 Volume (L) = 0.40022 - Viscosity (mPa s) = 1.10578 + Viscosity (mPa s) = 1.09742 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 4.000e-01 Total alkalinity (eq/kg) = 1.000e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.661e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.665e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 4.480497e+01 Total O = 2.260249e+01 @@ -17077,14 +17072,13 @@ Using solution 0. Solution after simulation 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.000e+00 5.791e-01 -0.000 -0.237 -0.237 -2.10 + OH- 1.000e+00 5.791e-01 0.000 -0.237 -0.237 -2.10 H+ 2.272e-14 1.688e-14 -13.644 -13.773 -0.129 0.00 H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 H(0) 3.206e-39 H2 1.603e-39 2.018e-39 -38.795 -38.695 0.100 28.61 Na 1.000e+00 - Na+ 1.000e+00 7.312e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 3.364e-11 4.235e-11 -10.473 -10.373 0.100 (0) + Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 O(0) 1.517e-15 O2 7.587e-16 9.551e-16 -15.120 -15.020 0.100 30.40 @@ -17133,20 +17127,20 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 ----------------------------Description of solution---------------------------- pH = 11.627 Charge balance - pe = 4.597 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + pe = -6.447 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25048 + Viscosity (mPa s) = 68.12905 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 Total alkalinity (eq/kg) = 1.017e+00 Temperature (°C) = 25.00 Pressure (atm) = 0.90 - Electrical balance (eq) = -7.583e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 4 + Electrical balance (eq) = 7.951e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 6 Total H = 2.220429e+01 Total O = 1.110214e+01 @@ -17161,29 +17155,28 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 Amm 1.017e+00 Amm 1.012e+00 1.013e+00 0.005 0.006 0.000 24.42 AmmH+ 4.529e-03 4.202e-03 -2.344 -2.377 -0.033 17.93 -H(0) 5.042e-36 - H2 2.521e-36 2.524e-36 -35.598 -35.598 0.000 28.61 +H(0) 6.183e-14 + H2 3.091e-14 3.095e-14 -13.510 -13.509 0.000 28.61 N(0) 1.176e-03 N2 5.881e-04 5.887e-04 -3.231 -3.230 0.000 29.29 -N(3) 5.375e-17 - NO2- 5.375e-17 4.991e-17 -16.270 -16.302 -0.032 25.00 -N(5) 3.988e-13 - NO3- 3.988e-13 3.703e-13 -12.399 -12.431 -0.032 29.52 +N(3) 0.000e+00 + NO2- 0.000e+00 0.000e+00 -49.402 -49.435 -0.032 25.00 +N(5) 0.000e+00 + NO3- 0.000e+00 0.000e+00 -67.621 -67.653 -0.032 29.52 Na 6.120e-07 Na+ 6.120e-07 5.697e-07 -6.213 -6.244 -0.031 -1.43 - NaOH 2.395e-19 2.398e-19 -18.621 -18.620 0.000 (0) -O(0) 1.263e-21 - O2 6.313e-22 6.320e-22 -21.200 -21.199 0.000 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -65.377 -65.376 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Amm(g) -1.79 0.01 1.80 Amm Pressure 0.0 atm, phi 0.995 - H2(g) -32.50 -35.60 -3.10 H2 + H2(g) -10.41 -13.51 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O N2(g) -0.05 -3.23 -3.18 N2 Pressure 0.9 atm, phi 1.000 - O2(g) -18.31 -21.20 -2.89 O2 + O2(g) -62.48 -65.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -17222,11 +17215,11 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 ----------------------------Description of solution---------------------------- pH = 11.626 Charge balance - pe = 4.920 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + pe = 4.921 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17250,19 +17243,18 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 Amm 1.017e+00 Amm 1.012e+00 1.013e+00 0.005 0.006 0.000 24.42 AmmH+ 4.529e-03 4.202e-03 -2.344 -2.377 -0.033 17.93 -H(0) 1.139e-36 - H2 5.696e-37 5.702e-37 -36.244 -36.244 0.000 28.61 +H(0) 1.138e-36 + H2 5.691e-37 5.697e-37 -36.245 -36.244 0.000 28.61 N(0) 1.176e-03 N2 5.881e-04 5.887e-04 -3.231 -3.230 0.000 29.29 -N(3) 5.005e-16 - NO2- 5.005e-16 4.647e-16 -15.301 -15.333 -0.032 25.00 -N(5) 1.643e-11 - NO3- 1.643e-11 1.526e-11 -10.784 -10.816 -0.032 29.52 +N(3) 5.011e-16 + NO2- 5.011e-16 4.653e-16 -15.300 -15.332 -0.032 25.00 +N(5) 1.647e-11 + NO3- 1.647e-11 1.529e-11 -10.783 -10.816 -0.032 29.52 Na 4.590e-14 Na+ 4.590e-14 4.273e-14 -13.338 -13.369 -0.031 -1.43 - NaOH 1.796e-26 1.798e-26 -25.746 -25.745 0.000 (0) -O(0) 2.473e-20 - O2 1.237e-20 1.238e-20 -19.908 -19.907 0.000 30.40 +O(0) 2.478e-20 + O2 1.239e-20 1.240e-20 -19.907 -19.907 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -17306,16 +17298,16 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 Amm 1.017e+00 2.034e-01 N 1.176e-03 2.352e-04 - Na 2.338e-21 4.676e-22 + Na 2.252e-21 4.504e-22 ----------------------------Description of solution---------------------------- pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17324,7 +17316,7 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 Pressure (atm) = 0.90 Electrical balance (eq) = -1.206e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 1 + Iterations = 4 Total H = 2.220428e+01 Total O = 1.110214e+01 @@ -17347,11 +17339,10 @@ N(3) 2.742e-16 NO2- 2.742e-16 2.546e-16 -15.562 -15.594 -0.032 25.00 N(5) 6.027e-12 NO3- 6.027e-12 5.597e-12 -11.220 -11.252 -0.032 29.52 -Na 2.338e-21 - Na+ 2.338e-21 2.176e-21 -20.631 -20.662 -0.031 -1.43 - NaOH 9.150e-34 9.160e-34 -33.039 -33.038 0.000 (0) +Na 2.252e-21 + Na+ 2.252e-21 2.097e-21 -20.647 -20.679 -0.031 -1.43 O(0) 1.109e-20 - O2 5.543e-21 5.549e-21 -20.256 -20.256 0.000 30.40 + O2 5.544e-21 5.549e-21 -20.256 -20.256 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -17400,10 +17391,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17485,10 +17476,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17570,10 +17561,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17655,10 +17646,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17740,10 +17731,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17825,10 +17816,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17910,10 +17901,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -17995,10 +17986,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18080,10 +18071,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18165,10 +18156,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18250,10 +18241,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18335,10 +18326,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18420,10 +18411,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18505,10 +18496,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18590,10 +18581,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18675,10 +18666,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18760,10 +18751,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18845,10 +18836,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -18930,10 +18921,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19015,10 +19006,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19100,10 +19091,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19185,10 +19176,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19270,10 +19261,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19355,10 +19346,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19440,10 +19431,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19525,10 +19516,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19610,10 +19601,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19695,10 +19686,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19780,10 +19771,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19865,10 +19856,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -19950,10 +19941,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20035,10 +20026,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20120,10 +20111,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20205,10 +20196,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20290,10 +20281,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20375,10 +20366,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20460,10 +20451,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20545,10 +20536,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20630,10 +20621,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20715,10 +20706,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20800,10 +20791,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20885,10 +20876,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -20970,10 +20961,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21055,10 +21046,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21140,10 +21131,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21225,10 +21216,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21310,10 +21301,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21395,10 +21386,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21480,10 +21471,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21565,10 +21556,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21650,10 +21641,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21735,10 +21726,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21820,10 +21811,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21905,10 +21896,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -21990,10 +21981,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22075,10 +22066,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22160,10 +22151,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22245,10 +22236,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22330,10 +22321,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22415,10 +22406,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22500,10 +22491,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22585,10 +22576,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22670,10 +22661,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22755,10 +22746,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22840,10 +22831,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -22925,10 +22916,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23010,10 +23001,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23095,10 +23086,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23180,10 +23171,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23265,10 +23256,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23350,10 +23341,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23435,10 +23426,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23520,10 +23511,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23605,10 +23596,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23690,10 +23681,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23775,10 +23766,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23860,10 +23851,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -23945,10 +23936,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24030,10 +24021,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24115,10 +24106,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24200,10 +24191,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24285,10 +24276,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24370,10 +24361,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24455,10 +24446,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24540,10 +24531,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24625,10 +24616,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24710,10 +24701,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24795,10 +24786,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24880,10 +24871,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -24965,10 +24956,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25050,10 +25041,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25135,10 +25126,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25220,10 +25211,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25305,10 +25296,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25390,10 +25381,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25475,10 +25466,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25560,10 +25551,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25483 + Viscosity (mPa s) = 68.13368 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25774,17 +25765,17 @@ Using solution 0. Solution after simulation 1. pH = 13.773 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 179536 + Specific Conductance (µS/cm, 25°C) = 179694 Density (g/cm³) = 1.03942 Volume (L) = 0.40022 - Viscosity (mPa s) = 1.10578 + Viscosity (mPa s) = 1.09742 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.000e+00 Mass of water (kg) = 4.000e-01 Total alkalinity (eq/kg) = 1.000e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.661e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.665e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 4.480497e+01 Total O = 2.260249e+01 @@ -25794,14 +25785,13 @@ Using solution 0. Solution after simulation 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.000e+00 5.791e-01 -0.000 -0.237 -0.237 -2.10 + OH- 1.000e+00 5.791e-01 0.000 -0.237 -0.237 -2.10 H+ 2.272e-14 1.688e-14 -13.644 -13.773 -0.129 0.00 H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 H(0) 3.206e-39 H2 1.603e-39 2.018e-39 -38.795 -38.695 0.100 28.61 Na 1.000e+00 - Na+ 1.000e+00 7.312e-01 -0.000 -0.136 -0.136 -0.31 - NaOH 3.364e-11 4.235e-11 -10.473 -10.373 0.100 (0) + Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 O(0) 1.517e-15 O2 7.587e-16 9.551e-16 -15.120 -15.020 0.100 30.40 @@ -25850,18 +25840,18 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 ----------------------------Description of solution---------------------------- pH = 11.627 Charge balance - pe = 4.598 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + pe = 4.972 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.24620 + Viscosity (mPa s) = 68.12451 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.530e-03 Mass of water (kg) = 2.000e-01 Total alkalinity (eq/kg) = 1.017e+00 Temperature (°C) = 25.00 Pressure (atm) = 0.90 - Electrical balance (eq) = -7.586e-14 + Electrical balance (eq) = -5.962e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 2.220430e+01 @@ -25878,29 +25868,28 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 Amm 1.017e+00 Amm 1.012e+00 1.013e+00 0.005 0.006 0.000 24.42 AmmH+ 4.528e-03 4.202e-03 -2.344 -2.377 -0.033 17.93 -H(0) 5.029e-36 - H2 2.515e-36 2.517e-36 -35.600 -35.599 0.000 28.61 +H(0) 8.972e-37 + H2 4.486e-37 4.491e-37 -36.348 -36.348 0.000 28.61 N(0) 1.176e-03 N2 5.881e-04 5.887e-04 -3.231 -3.230 0.000 29.29 -N(3) 5.396e-17 - NO2- 5.396e-17 5.011e-17 -16.268 -16.300 -0.032 25.00 -N(5) 4.014e-13 - NO3- 4.014e-13 3.727e-13 -12.396 -12.429 -0.032 29.52 +N(3) 7.161e-16 + NO2- 7.161e-16 6.650e-16 -15.145 -15.177 -0.032 25.00 +N(5) 2.986e-11 + NO3- 2.986e-11 2.773e-11 -10.525 -10.557 -0.032 29.52 Na 1.212e-06 Na+ 1.212e-06 1.128e-06 -5.916 -5.948 -0.031 -1.43 - NaOH 4.744e-19 4.749e-19 -18.324 -18.323 0.000 (0) -O(0) 1.269e-21 - O2 6.346e-22 6.353e-22 -21.197 -21.197 0.000 30.40 +O(0) 3.988e-20 + O2 1.994e-20 1.996e-20 -19.700 -19.700 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Amm(g) -1.79 0.01 1.80 Amm Pressure 0.0 atm, phi 0.995 - H2(g) -32.50 -35.60 -3.10 H2 + H2(g) -33.25 -36.35 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O N2(g) -0.05 -3.23 -3.18 N2 Pressure 0.9 atm, phi 1.000 - O2(g) -18.30 -21.20 -2.89 O2 + O2(g) -16.81 -19.70 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -25940,10 +25929,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.921 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -25977,7 +25966,6 @@ N(5) 1.657e-11 NO3- 1.657e-11 1.539e-11 -10.781 -10.813 -0.032 29.52 Na 1.818e-13 Na+ 1.818e-13 1.692e-13 -12.740 -12.772 -0.031 -1.43 - NaOH 7.115e-26 7.122e-26 -25.148 -25.147 0.000 (0) O(0) 2.490e-20 O2 1.245e-20 1.246e-20 -19.905 -19.904 0.000 30.40 @@ -26023,16 +26011,16 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 Amm 1.017e+00 2.034e-01 N 1.176e-03 2.352e-04 - Na 1.839e-20 3.679e-21 + Na 1.825e-20 3.650e-21 ----------------------------Description of solution---------------------------- pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26056,19 +26044,18 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 Amm 1.017e+00 Amm 1.012e+00 1.013e+00 0.005 0.006 0.000 24.42 AmmH+ 4.529e-03 4.202e-03 -2.344 -2.377 -0.033 17.93 -H(0) 1.702e-36 - H2 8.508e-37 8.517e-37 -36.070 -36.070 0.000 28.61 +H(0) 1.701e-36 + H2 8.504e-37 8.513e-37 -36.070 -36.070 0.000 28.61 N(0) 1.176e-03 N2 5.881e-04 5.887e-04 -3.231 -3.230 0.000 29.29 -N(3) 2.742e-16 - NO2- 2.742e-16 2.546e-16 -15.562 -15.594 -0.032 25.00 -N(5) 6.027e-12 - NO3- 6.027e-12 5.597e-12 -11.220 -11.252 -0.032 29.52 -Na 1.839e-20 - Na+ 1.839e-20 1.712e-20 -19.735 -19.766 -0.031 -1.43 - NaOH 7.198e-33 7.206e-33 -32.143 -32.142 0.000 (0) -O(0) 1.109e-20 - O2 5.543e-21 5.549e-21 -20.256 -20.256 0.000 30.40 +N(3) 2.743e-16 + NO2- 2.743e-16 2.547e-16 -15.562 -15.594 -0.032 25.00 +N(5) 6.034e-12 + NO3- 6.034e-12 5.603e-12 -11.219 -11.252 -0.032 29.52 +Na 1.825e-20 + Na+ 1.825e-20 1.699e-20 -19.739 -19.770 -0.031 -1.43 +O(0) 1.110e-20 + O2 5.549e-21 5.555e-21 -20.256 -20.255 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -26117,10 +26104,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26202,10 +26189,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26287,10 +26274,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26372,10 +26359,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26457,10 +26444,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26542,10 +26529,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26627,10 +26614,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26712,10 +26699,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26797,10 +26784,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26882,10 +26869,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -26967,10 +26954,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27052,10 +27039,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27137,10 +27124,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27222,10 +27209,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27307,10 +27294,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27392,10 +27379,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27477,10 +27464,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27562,10 +27549,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27647,10 +27634,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27732,10 +27719,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27817,10 +27804,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27902,10 +27889,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -27987,10 +27974,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28072,10 +28059,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28157,10 +28144,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28242,10 +28229,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28327,10 +28314,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28412,10 +28399,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28497,10 +28484,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28582,10 +28569,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28667,10 +28654,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28752,10 +28739,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28837,10 +28824,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -28922,10 +28909,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29007,10 +28994,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29092,10 +29079,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29177,10 +29164,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29262,10 +29249,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29347,10 +29334,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29432,10 +29419,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29517,10 +29504,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29602,10 +29589,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29687,10 +29674,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29772,10 +29759,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29857,10 +29844,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -29942,10 +29929,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30027,10 +30014,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30112,10 +30099,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30197,10 +30184,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30282,10 +30269,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30367,10 +30354,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30452,10 +30439,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30537,10 +30524,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30622,10 +30609,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30707,10 +30694,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30792,10 +30779,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30877,10 +30864,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -30962,10 +30949,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31047,10 +31034,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31132,10 +31119,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31217,10 +31204,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31302,10 +31289,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31387,10 +31374,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31472,10 +31459,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31557,10 +31544,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31642,10 +31629,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31727,10 +31714,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31812,10 +31799,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31897,10 +31884,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -31982,10 +31969,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32067,10 +32054,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32152,10 +32139,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32237,10 +32224,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32322,10 +32309,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32407,10 +32394,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32492,10 +32479,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32577,10 +32564,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32662,10 +32649,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32747,10 +32734,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32832,10 +32819,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -32917,10 +32904,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33002,10 +32989,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33087,10 +33074,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33172,10 +33159,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33257,10 +33244,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33342,10 +33329,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33427,10 +33414,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33512,10 +33499,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33597,10 +33584,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33682,10 +33669,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33767,10 +33754,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33852,10 +33839,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -33937,10 +33924,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -34022,10 +34009,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -34107,10 +34094,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -34192,10 +34179,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25484 + Viscosity (mPa s) = 68.13369 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 @@ -34277,10 +34264,10 @@ N2(g) -0.05 8.826e-01 1.000 3.609e-02 3.609e-02 0.000e+00 pH = 11.626 Charge balance pe = 4.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1056 + Specific Conductance (µS/cm, 25°C) = 1055 Density (g/cm³) = 0.98993 Volume (L) = 0.20555 - Viscosity (mPa s) = 64.25482 + Viscosity (mPa s) = 68.13367 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.529e-03 Mass of water (kg) = 2.000e-01 diff --git a/mytest/dump_test_101.sel b/mytest/dump_test_101.sel index fcd32341c..6dafba6ea 100644 --- a/mytest/dump_test_101.sel +++ b/mytest/dump_test_101.sel @@ -1,10409 +1,10409 @@ Mu SC - 0.999999999966 179536.9355378328 - 0.004490606465 1048.4417803669 + 1.000000000000 179694.9551182455 + 0.004490606465 1047.5373296904 0.000000100644 0.0547821292 - 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NaOH 7.710e-25 7.756e-25 -24.113 -24.110 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.283 -62.281 0.003 30.40 @@ -214,7 +213,6 @@ Ca+2 1.7449e-10 OH- 7.1556e-12 H2 1.7720e-15 CaOH+ 5.6596e-19 -NaOH 1.5421e-26 O2 0 ------------------------------Surface composition------------------------------ @@ -310,7 +308,6 @@ H(0) 1.772e-13 H2 8.860e-14 8.913e-14 -13.053 -13.050 0.003 28.61 Na 1.000e-02 Na+ 1.000e-02 8.605e-03 -2.000 -2.065 -0.065 -1.30 - NaOH 7.710e-25 7.756e-25 -24.113 -24.110 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -66.283 -66.281 0.003 30.40 diff --git a/mytest/eq_EC.out b/mytest/eq_EC.out index 0652af952..f5dd9f001 100644 --- a/mytest/eq_EC.out +++ b/mytest/eq_EC.out @@ -527,7 +527,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 5.000e-04 Na+ 5.000e-04 4.875e-04 -3.301 -3.312 -0.011 -1.49 - NaOH 4.933e-21 4.934e-21 -20.307 -20.307 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -586,7 +585,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -645,7 +643,6 @@ H(0) 1.414e-25 H2 7.071e-26 7.079e-26 -25.151 -25.150 0.001 28.61 Na 5.000e-03 Na+ 5.000e-03 4.639e-03 -2.301 -2.334 -0.033 -1.42 - NaOH 4.689e-20 4.695e-20 -19.329 -19.328 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 @@ -704,7 +701,6 @@ H(0) 1.413e-25 H2 7.063e-26 7.079e-26 -25.151 -25.150 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.033e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.119e-20 9.140e-20 -19.040 -19.039 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 @@ -763,7 +759,6 @@ H(0) 1.409e-25 H2 7.047e-26 7.079e-26 -25.152 -25.150 0.002 28.61 Na 2.000e-02 Na+ 2.000e-02 1.746e-02 -1.699 -1.758 -0.059 -1.32 - NaOH 1.758e-19 1.766e-19 -18.755 -18.753 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.083 -42.081 0.002 30.40 @@ -822,7 +817,6 @@ H(0) 1.400e-25 H2 6.998e-26 7.079e-26 -25.155 -25.150 0.005 28.61 Na 5.000e-02 Na+ 5.000e-02 4.124e-02 -1.301 -1.385 -0.084 -1.21 - NaOH 4.119e-19 4.167e-19 -18.385 -18.380 0.005 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.086 -42.081 0.005 30.40 @@ -881,7 +875,6 @@ H(0) 1.384e-25 H2 6.918e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-19 7.919e-19 -18.111 -18.101 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.083 0.010 30.40 @@ -2225,7 +2218,6 @@ H(0) 1.416e-25 Na 5.000e-04 Na+ 4.982e-04 4.831e-04 -3.303 -3.316 -0.013 -1.48 NaSO4- 1.780e-06 1.726e-06 -5.750 -5.763 -0.013 -21.49 - NaOH 4.889e-21 4.890e-21 -20.311 -20.311 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 2.500e-04 @@ -2287,7 +2279,6 @@ H(0) 1.415e-25 Na 1.000e-03 Na+ 9.933e-04 9.517e-04 -3.003 -3.022 -0.019 -1.47 NaSO4- 6.723e-06 6.444e-06 -5.172 -5.191 -0.018 -20.15 - NaOH 9.629e-21 9.632e-21 -20.016 -20.016 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 5.000e-04 @@ -2349,7 +2340,6 @@ H(0) 1.414e-25 Na 5.000e-03 Na+ 4.868e-03 4.457e-03 -2.313 -2.351 -0.038 -1.40 NaSO4- 1.319e-04 1.209e-04 -3.880 -3.918 -0.038 -16.14 - NaOH 4.503e-20 4.510e-20 -19.347 -19.346 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 S(6) 2.500e-03 @@ -2411,7 +2401,6 @@ H(0) 1.411e-25 Na 1.000e-02 Na+ 9.557e-03 8.496e-03 -2.020 -2.071 -0.051 -1.35 NaSO4- 4.427e-04 3.946e-04 -3.354 -3.404 -0.050 -13.95 - NaOH 8.569e-20 8.597e-20 -19.067 -19.066 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.082 -42.080 0.001 30.40 S(6) 5.000e-03 @@ -2473,7 +2462,6 @@ H(0) 1.407e-25 Na 2.000e-02 Na+ 1.860e-02 1.595e-02 -1.731 -1.797 -0.067 -1.29 NaSO4- 1.405e-03 1.210e-03 -2.852 -2.917 -0.065 -11.44 - NaOH 1.604e-19 1.614e-19 -18.795 -18.792 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.083 -42.080 0.003 30.40 S(6) 1.000e-02 @@ -2535,7 +2523,6 @@ H(0) 1.395e-25 Na 5.000e-02 Na+ 4.412e-02 3.580e-02 -1.355 -1.446 -0.091 -1.17 NaSO4- 5.882e-03 4.801e-03 -2.230 -2.319 -0.088 -7.58 - NaOH 3.567e-19 3.619e-19 -18.448 -18.441 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.087 -42.081 0.006 30.40 S(6) 2.500e-02 @@ -2597,7 +2584,6 @@ H(0) 1.378e-25 Na 1.000e-01 Na+ 8.380e-02 6.502e-02 -1.077 -1.187 -0.110 -1.06 NaSO4- 1.620e-02 1.263e-02 -1.791 -1.899 -0.108 -4.22 - NaOH 6.391e-19 6.567e-19 -18.194 -18.183 0.012 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.094 -42.082 0.012 30.40 S(6) 5.000e-02 diff --git a/mytest/eq_EC_101.sel b/mytest/eq_EC_101.sel index 0b9d5dc1a..8314ed7cf 100644 --- a/mytest/eq_EC_101.sel +++ b/mytest/eq_EC_101.sel @@ -1,18 +1,18 @@ Mu SC - 0.000500102494 73.5758151748 - 0.001000103455 146.2884136539 - 0.005000107110 715.3264442935 - 0.010000109488 1408.9744437467 - 0.020000112425 2762.2433779859 - 0.050000117127 6668.4500582128 - 0.100000121159 12896.6137977758 - 0.000500102494 61.8693211363 - 0.001000103455 122.9170044015 - 0.005000107110 599.2346542786 - 0.010000109488 1177.7198483502 - 0.020000112425 2301.7961947616 - 0.050000117127 5523.3570848350 - 0.100000121159 10609.0349322599 + 0.000500102494 73.5758151991 + 0.001000103455 146.2884136944 + 0.005000107110 715.3264443420 + 0.010000109488 1408.9744436276 + 0.020000112425 2762.2433771556 + 0.050000117127 6668.4500532804 + 0.100000121159 12896.6137815862 + 0.000500102494 61.8693211275 + 0.001000103455 122.9170043733 + 0.005000107110 599.2346539380 + 0.010000109488 1177.7198473915 + 0.020000112425 2301.7961920931 + 0.050000117127 5523.3570746190 + 0.100000121159 10609.0349042546 0.000499918182 210.1653296991 0.000999679240 419.1814502454 0.004992608422 2074.8534679926 @@ -20,39 +20,39 @@ 0.019896665087 8169.5069755146 0.049441420148 20059.1176293058 0.098089727332 39256.7479188842 - 0.000750104906 65.6698000234 - 0.001500106080 129.8466071750 - 0.007500110469 621.6243243990 - 0.015000113241 1207.7555953457 - 0.030000116511 2328.2633195811 - 0.075000121031 5471.8747313585 - 0.150000123377 10337.9813903632 - 0.000750100955 62.4629954282 - 0.001500098454 123.4643320760 - 0.007500077162 590.2486668463 - 0.015000052226 1145.5793247030 - 0.030000006909 2204.9778286151 - 0.074999888970 5165.1011525865 - 0.149999715676 9718.7149583154 - 0.000746541453 62.8244345668 - 0.001486655780 123.9793425096 - 0.007236397950 587.2544753794 - 0.014114777841 1130.1671273986 - 0.027190455757 2148.1562287739 - 0.063236038957 4912.8790773280 - 0.117608186083 9025.0912439844 - 0.000952863011 60.5426097378 - 0.001849680460 115.7924045724 - 0.008096824826 484.5837568234 - 0.014864921625 867.1205998805 - 0.026982496036 1522.3966938659 - 0.059117702472 3118.7331403358 - 0.108088038277 5259.5123626544 + 0.000750104906 65.6697999646 + 0.001500106080 129.8466070422 + 0.007500110469 621.6243234462 + 0.015000113241 1207.7555930487 + 0.030000116511 2328.2633139500 + 0.075000121031 5471.8747125459 + 0.150000123377 10337.9813430631 + 0.000750100955 62.4629953399 + 0.001500098454 123.4643318853 + 0.007500077162 590.2486656281 + 0.015000052226 1145.5793219102 + 0.030000006909 2204.9778220936 + 0.074999888970 5165.1011320911 + 0.149999715676 9718.7149090392 + 0.000746541453 62.8244345203 + 0.001486655780 123.9793424097 + 0.007236397950 587.2544747622 + 0.014114777841 1130.1671260260 + 0.027190455757 2148.1562256992 + 0.063236038957 4912.8790682887 + 0.117608186083 9025.0912233205 + 0.000952863011 60.5426097359 + 0.001849680460 115.7924045680 + 0.008096824826 484.5837567923 + 0.014864921625 867.1205998103 + 0.026982496036 1522.3966937097 + 0.059117702472 3118.7331398985 + 0.108088038277 5259.5123617282 0.000000100661 0.0546997340 - 0.000999586584 80.1929485075 - 0.001998350653 157.5666964897 - 0.009968727908 734.7932368128 - 0.019892497886 1401.0358638000 - 0.039634229343 2633.8741848738 - 0.098162266471 5918.0750794162 - 0.193743558254 10697.8535303070 + 0.000999586584 80.1929485195 + 0.001998350653 157.5666965051 + 0.009968727908 734.7932367285 + 0.019892497886 1401.0358634122 + 0.039634229343 2633.8741835174 + 0.098162266471 5918.0750733701 + 0.193743558254 10697.8535127094 diff --git a/mytest/erm.out b/mytest/erm.out index d96d2f149..779a96721 100644 --- a/mytest/erm.out +++ b/mytest/erm.out @@ -91,7 +91,7 @@ sys Na = 1.0000e-04 sys("K") = 1.0000e-04 sys("Cl") = 2.0000e-04 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.000e-03 Mass of water (kg) = 1.000e-01 - Total alkalinity (eq/kg) = -4.339e-20 + Total alkalinity (eq/kg) = -5.296e-20 Temperature (°C) = 25.00 Electrical balance (eq) = -3.223e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -116,7 +116,6 @@ K 1.000e-03 K+ 1.000e-03 9.513e-04 -3.000 -3.022 -0.022 9.02 Na 1.000e-03 Na+ 1.000e-03 9.520e-04 -3.000 -3.021 -0.021 -1.46 - NaOH 9.559e-21 9.563e-21 -20.020 -20.019 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.093 0.000 30.40 @@ -268,7 +267,6 @@ K 1.000e-03 K+ 1.000e-03 9.513e-04 -3.000 -3.022 -0.022 9.02 Na 1.000e-03 Na+ 1.000e-03 9.520e-04 -3.000 -3.021 -0.021 -1.46 - NaOH 9.559e-21 9.563e-21 -20.020 -20.019 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.750 -63.750 0.000 30.40 @@ -456,9 +454,8 @@ K 7.426e-04 K+ 7.426e-04 7.165e-04 -3.129 -3.145 -0.016 9.01 Na 2.578e-04 Na+ 2.578e-04 2.488e-04 -3.589 -3.604 -0.015 -1.48 - NaOH 2.979e-21 2.980e-21 -20.526 -20.526 0.000 (0) O(0) 1.684e-15 - O2 8.421e-16 8.422e-16 -15.075 -15.075 0.000 30.40 + O2 8.421e-16 8.423e-16 -15.075 -15.075 0.000 30.40 ------------------------------Saturation indices------------------------------- diff --git a/mytest/erm.prn b/mytest/erm.prn index db32dbe13..b229f5c8f 100644 --- a/mytest/erm.prn +++ b/mytest/erm.prn @@ -40,14 +40,13 @@ SURFACE_RAW 1 -diffuse_layer_species 66 4.9977131928255e-05 121 4.2233062170223e-06 - 122 4.8384998084625e-15 + 122 4.8384679971906e-15 124 55.50621669627 134 6.5913693801388e-11 185 0.04001830209644 225 0.060027453207652 - 229 9.5590606192733e-21 - 233 0 - 234 2.6387996647413e-09 + 232 0 + 233 2.6387996647413e-09 # Surface workspace variables # -sigma0 0 -sigma1 0 diff --git a/mytest/erm_101.sel b/mytest/erm_101.sel index 4cfc80fe3..fd94a4a1b 100644 --- a/mytest/erm_101.sel +++ b/mytest/erm_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.002000105534 267.0128674791 - 0.002000105534 267.0128674791 - 0.002000105550 267.0128692476 - 0.001000104163 146.2885179643 - 0.001000510165 140.3224750455 + 0.002000105534 267.0128675232 + 0.002000105534 267.0128675232 + 0.002000105550 267.0128692917 + 0.001000104163 146.2885180049 + 0.001000510165 140.3224750881 diff --git a/mytest/evap_101.sel b/mytest/evap_101.sel index f2a8a6b68..9dfe65feb 100644 --- a/mytest/evap_101.sel +++ b/mytest/evap_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.722276588069 52653.9747624100 - 17.631685935937 82975.0218805729 + 0.722276588069 52653.8993555370 + 17.631685935937 82975.0173860579 diff --git a/mytest/evap_sea.out b/mytest/evap_sea.out index 514e2c86c..1a511c460 100644 --- a/mytest/evap_sea.out +++ b/mytest/evap_sea.out @@ -2028,7 +2028,7 @@ Halite 0.00 1.58 1.58 4.149e-01 4.526e-01 3.774e-02 pH = 7.504 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 125124 + Specific Conductance (µS/cm, 25°C) = 125123 Density (g/cm³) = 1.29015 Volume (L) = 0.02059 Viscosity (mPa s) = 4.93284 diff --git a/mytest/evap_sea_101.sel b/mytest/evap_sea_101.sel index 3586c99c1..abd928435 100644 --- a/mytest/evap_sea_101.sel +++ b/mytest/evap_sea_101.sel @@ -1,15 +1,15 @@ Mu SC - 0.721987248890 52619.1176116866 - 0.719741606778 52569.2492017549 - 2.045560502558 121918.1952865765 - 2.572860418051 143159.3318703572 - 3.406871647264 172159.1513831449 - 5.124977842382 210049.8704943329 - 5.887266605448 219101.5237571521 - 6.930701848309 225481.3081435777 - 7.503201758732 222798.1084859588 - 7.885057627771 215085.0716172303 - 8.585895569384 200818.8562612598 - 9.569019479036 180576.8347181056 - 10.615421645446 159360.4095415894 - 12.501006224306 125124.0027508702 + 0.721987248890 52619.0492460296 + 0.719741606778 52569.2045961448 + 2.045560502558 121918.1142185326 + 2.572860418051 143159.2460576714 + 3.406871647264 172159.0631216972 + 5.124977842382 210049.7925819352 + 5.887266605448 219101.4533715520 + 6.930701848309 225481.2486265271 + 7.503201758732 222798.0529678704 + 7.885057627771 215085.0161271016 + 8.585895569384 200818.8012383638 + 9.569019479036 180576.7814570032 + 10.615421645446 159360.3597423742 + 12.501006224306 125123.9613182086 diff --git a/mytest/ex1.out b/mytest/ex1.out index 88a5d3287..d1c889f74 100644 --- a/mytest/ex1.out +++ b/mytest/ex1.out @@ -136,7 +136,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM ET AL. (1979) Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -260,7 +260,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 4.381e-04 O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40 S(6) 2.926e-02 diff --git a/mytest/ex10_pz.out b/mytest/ex10_pz.out index 330049a39..fc5861352 100644 --- a/mytest/ex10_pz.out +++ b/mytest/ex10_pz.out @@ -81,10 +81,10 @@ Initial solution 1. Brine pH = 5.713 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 243022 + Specific Conductance (µS/cm, 25°C) = 243002 Density (g/cm³) = 1.21636 Volume (L) = 1.13695 - Viscosity (mPa s) = 1.95540 + Viscosity (mPa s) = 1.95561 Activity of water = 0.725 Ionic strength (mol/kgw) = 7.286e+00 Mass of water (kg) = 1.000e+00 @@ -291,10 +291,10 @@ X 1.000e+00 mol pH = 5.254 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 243640 + Specific Conductance (µS/cm, 25°C) = 243626 Density (g/cm³) = 1.21623 Volume (L) = 1.13678 - Viscosity (mPa s) = 1.94892 + Viscosity (mPa s) = 1.94907 Activity of water = 0.726 Ionic strength (mol/kgw) = 7.273e+00 Mass of water (kg) = 9.998e-01 @@ -546,10 +546,10 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.110e-03 pH = 7.047 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 629 + Specific Conductance (µS/cm, 25°C) = 628 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.013e-02 Mass of water (kg) = 9.999e-01 @@ -732,10 +732,10 @@ X 1.000e+00 mol pH = 8.302 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2960 + Specific Conductance (µS/cm, 25°C) = 2959 Density (g/cm³) = 0.99894 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.89821 + Viscosity (mPa s) = 0.89833 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.508e-02 Mass of water (kg) = 9.999e-01 @@ -895,7 +895,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 2239 Density (g/cm³) = 0.99858 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.89861 + Viscosity (mPa s) = 0.89867 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.680e-02 Mass of water (kg) = 9.998e-01 @@ -1055,7 +1055,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1949 Density (g/cm³) = 0.99837 Volume (L) = 1.00325 - Viscosity (mPa s) = 0.89759 + Viscosity (mPa s) = 0.89762 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.320e-02 Mass of water (kg) = 9.998e-01 @@ -1215,7 +1215,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1747 Density (g/cm³) = 0.99821 Volume (L) = 1.00321 - Viscosity (mPa s) = 0.89681 + Viscosity (mPa s) = 0.89684 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.069e-02 Mass of water (kg) = 9.998e-01 @@ -1375,7 +1375,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1597 Density (g/cm³) = 0.99810 Volume (L) = 1.00318 - Viscosity (mPa s) = 0.89624 + Viscosity (mPa s) = 0.89626 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.884e-02 Mass of water (kg) = 9.999e-01 @@ -1535,7 +1535,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1480 Density (g/cm³) = 0.99802 Volume (L) = 1.00316 - Viscosity (mPa s) = 0.89579 + Viscosity (mPa s) = 0.89581 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.742e-02 Mass of water (kg) = 9.999e-01 @@ -1695,7 +1695,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1388 Density (g/cm³) = 0.99795 Volume (L) = 1.00314 - Viscosity (mPa s) = 0.89544 + Viscosity (mPa s) = 0.89545 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.629e-02 Mass of water (kg) = 9.999e-01 @@ -1855,7 +1855,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1313 Density (g/cm³) = 0.99789 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89515 + Viscosity (mPa s) = 0.89516 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.538e-02 Mass of water (kg) = 9.999e-01 @@ -2015,7 +2015,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1251 Density (g/cm³) = 0.99785 Volume (L) = 1.00312 - Viscosity (mPa s) = 0.89492 + Viscosity (mPa s) = 0.89493 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-02 Mass of water (kg) = 9.999e-01 @@ -2175,7 +2175,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1199 Density (g/cm³) = 0.99781 Volume (L) = 1.00311 - Viscosity (mPa s) = 0.89472 + Viscosity (mPa s) = 0.89473 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.401e-02 Mass of water (kg) = 9.999e-01 @@ -2335,7 +2335,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1156 Density (g/cm³) = 0.99778 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89456 + Viscosity (mPa s) = 0.89457 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.349e-02 Mass of water (kg) = 9.999e-01 @@ -2495,7 +2495,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1119 Density (g/cm³) = 0.99775 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89442 + Viscosity (mPa s) = 0.89443 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.305e-02 Mass of water (kg) = 9.999e-01 @@ -2655,7 +2655,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1088 Density (g/cm³) = 0.99773 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89430 + Viscosity (mPa s) = 0.89431 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.267e-02 Mass of water (kg) = 9.999e-01 @@ -2815,7 +2815,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1061 Density (g/cm³) = 0.99771 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89420 + Viscosity (mPa s) = 0.89421 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.234e-02 Mass of water (kg) = 9.999e-01 @@ -3135,7 +3135,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 1016 Density (g/cm³) = 0.99768 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89404 + Viscosity (mPa s) = 0.89405 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.180e-02 Mass of water (kg) = 9.999e-01 @@ -3295,7 +3295,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 998 Density (g/cm³) = 0.99767 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89397 + Viscosity (mPa s) = 0.89398 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.157e-02 Mass of water (kg) = 9.999e-01 @@ -3455,7 +3455,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 982 Density (g/cm³) = 0.99766 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89391 + Viscosity (mPa s) = 0.89392 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.137e-02 Mass of water (kg) = 9.999e-01 @@ -3775,7 +3775,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 954 Density (g/cm³) = 0.99764 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89381 + Viscosity (mPa s) = 0.89382 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.102e-02 Mass of water (kg) = 9.999e-01 @@ -4415,7 +4415,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 910 Density (g/cm³) = 0.99762 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89365 + Viscosity (mPa s) = 0.89366 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.048e-02 Mass of water (kg) = 9.999e-01 @@ -4575,7 +4575,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 901 Density (g/cm³) = 0.99761 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89362 + Viscosity (mPa s) = 0.89363 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.037e-02 Mass of water (kg) = 9.999e-01 @@ -4735,7 +4735,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 893 Density (g/cm³) = 0.99761 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89359 + Viscosity (mPa s) = 0.89360 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.026e-02 Mass of water (kg) = 9.999e-01 @@ -4895,7 +4895,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 885 Density (g/cm³) = 0.99760 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89356 + Viscosity (mPa s) = 0.89357 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.016e-02 Mass of water (kg) = 9.999e-01 @@ -5055,7 +5055,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 877 Density (g/cm³) = 0.99760 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89353 + Viscosity (mPa s) = 0.89354 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.007e-02 Mass of water (kg) = 9.999e-01 @@ -5375,7 +5375,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 863 Density (g/cm³) = 0.99759 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89348 + Viscosity (mPa s) = 0.89349 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.890e-03 Mass of water (kg) = 9.999e-01 @@ -5535,7 +5535,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 856 Density (g/cm³) = 0.99759 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89346 + Viscosity (mPa s) = 0.89347 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.807e-03 Mass of water (kg) = 9.999e-01 @@ -5695,7 +5695,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 849 Density (g/cm³) = 0.99759 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89343 + Viscosity (mPa s) = 0.89344 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.728e-03 Mass of water (kg) = 9.999e-01 @@ -5855,7 +5855,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 843 Density (g/cm³) = 0.99758 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89341 + Viscosity (mPa s) = 0.89342 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.651e-03 Mass of water (kg) = 9.999e-01 @@ -6015,7 +6015,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 837 Density (g/cm³) = 0.99758 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89339 + Viscosity (mPa s) = 0.89340 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.577e-03 Mass of water (kg) = 9.999e-01 @@ -6175,7 +6175,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 831 Density (g/cm³) = 0.99758 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89337 + Viscosity (mPa s) = 0.89338 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.505e-03 Mass of water (kg) = 9.999e-01 @@ -6335,7 +6335,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 826 Density (g/cm³) = 0.99757 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89335 + Viscosity (mPa s) = 0.89336 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.436e-03 Mass of water (kg) = 9.999e-01 @@ -6495,7 +6495,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 820 Density (g/cm³) = 0.99757 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89333 + Viscosity (mPa s) = 0.89334 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.369e-03 Mass of water (kg) = 9.999e-01 @@ -6655,7 +6655,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 815 Density (g/cm³) = 0.99757 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89331 + Viscosity (mPa s) = 0.89332 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.304e-03 Mass of water (kg) = 9.999e-01 @@ -6815,7 +6815,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 810 Density (g/cm³) = 0.99756 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89329 + Viscosity (mPa s) = 0.89330 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.241e-03 Mass of water (kg) = 9.999e-01 @@ -6975,7 +6975,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 804 Density (g/cm³) = 0.99756 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89327 + Viscosity (mPa s) = 0.89329 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.179e-03 Mass of water (kg) = 9.999e-01 @@ -7135,7 +7135,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 799 Density (g/cm³) = 0.99756 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89326 + Viscosity (mPa s) = 0.89327 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.120e-03 Mass of water (kg) = 9.999e-01 @@ -7295,7 +7295,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 795 Density (g/cm³) = 0.99756 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89324 + Viscosity (mPa s) = 0.89325 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.061e-03 Mass of water (kg) = 9.999e-01 @@ -7455,7 +7455,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 790 Density (g/cm³) = 0.99755 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89322 + Viscosity (mPa s) = 0.89324 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.004e-03 Mass of water (kg) = 9.999e-01 @@ -7615,7 +7615,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 785 Density (g/cm³) = 0.99755 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89321 + Viscosity (mPa s) = 0.89322 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.949e-03 Mass of water (kg) = 9.999e-01 @@ -7775,7 +7775,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 780 Density (g/cm³) = 0.99755 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89319 + Viscosity (mPa s) = 0.89320 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.894e-03 Mass of water (kg) = 9.999e-01 @@ -7935,7 +7935,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 776 Density (g/cm³) = 0.99755 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89317 + Viscosity (mPa s) = 0.89319 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.841e-03 Mass of water (kg) = 9.999e-01 @@ -8095,7 +8095,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 771 Density (g/cm³) = 0.99754 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89316 + Viscosity (mPa s) = 0.89317 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.789e-03 Mass of water (kg) = 9.999e-01 @@ -8255,7 +8255,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 767 Density (g/cm³) = 0.99754 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89314 + Viscosity (mPa s) = 0.89316 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.738e-03 Mass of water (kg) = 9.999e-01 @@ -8415,7 +8415,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 763 Density (g/cm³) = 0.99754 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89313 + Viscosity (mPa s) = 0.89314 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.688e-03 Mass of water (kg) = 9.999e-01 @@ -8575,7 +8575,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 758 Density (g/cm³) = 0.99754 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89311 + Viscosity (mPa s) = 0.89313 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.638e-03 Mass of water (kg) = 9.999e-01 @@ -8735,7 +8735,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 754 Density (g/cm³) = 0.99753 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89310 + Viscosity (mPa s) = 0.89311 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.590e-03 Mass of water (kg) = 9.999e-01 @@ -8895,7 +8895,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 750 Density (g/cm³) = 0.99753 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89308 + Viscosity (mPa s) = 0.89310 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.543e-03 Mass of water (kg) = 9.999e-01 @@ -9055,7 +9055,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 746 Density (g/cm³) = 0.99753 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89307 + Viscosity (mPa s) = 0.89309 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.496e-03 Mass of water (kg) = 9.999e-01 @@ -9215,7 +9215,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 742 Density (g/cm³) = 0.99753 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89307 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.450e-03 Mass of water (kg) = 9.999e-01 @@ -9375,7 +9375,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 738 Density (g/cm³) = 0.99752 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89306 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.405e-03 Mass of water (kg) = 9.999e-01 @@ -9535,7 +9535,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 734 Density (g/cm³) = 0.99752 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89305 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.361e-03 Mass of water (kg) = 9.999e-01 @@ -9695,7 +9695,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 730 Density (g/cm³) = 0.99752 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89301 + Viscosity (mPa s) = 0.89303 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.317e-03 Mass of water (kg) = 9.999e-01 @@ -9855,7 +9855,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 726 Density (g/cm³) = 0.99752 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89300 + Viscosity (mPa s) = 0.89302 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.274e-03 Mass of water (kg) = 9.999e-01 @@ -10015,7 +10015,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 722 Density (g/cm³) = 0.99751 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89298 + Viscosity (mPa s) = 0.89301 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.232e-03 Mass of water (kg) = 9.999e-01 @@ -10175,7 +10175,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 718 Density (g/cm³) = 0.99751 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89297 + Viscosity (mPa s) = 0.89300 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.187e-03 Mass of water (kg) = 9.999e-01 @@ -10335,7 +10335,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 714 Density (g/cm³) = 0.99751 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89296 + Viscosity (mPa s) = 0.89298 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.144e-03 Mass of water (kg) = 9.999e-01 @@ -10495,7 +10495,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 710 Density (g/cm³) = 0.99751 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89294 + Viscosity (mPa s) = 0.89297 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.102e-03 Mass of water (kg) = 9.999e-01 @@ -10655,7 +10655,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 706 Density (g/cm³) = 0.99750 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89293 + Viscosity (mPa s) = 0.89296 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.060e-03 Mass of water (kg) = 9.999e-01 @@ -10815,7 +10815,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 702 Density (g/cm³) = 0.99750 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89291 + Viscosity (mPa s) = 0.89295 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.020e-03 Mass of water (kg) = 9.999e-01 @@ -10975,7 +10975,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 698 Density (g/cm³) = 0.99750 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89290 + Viscosity (mPa s) = 0.89294 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.981e-03 Mass of water (kg) = 9.999e-01 @@ -11135,7 +11135,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 694 Density (g/cm³) = 0.99750 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89289 + Viscosity (mPa s) = 0.89292 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.942e-03 Mass of water (kg) = 9.999e-01 @@ -11295,7 +11295,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 690 Density (g/cm³) = 0.99749 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89287 + Viscosity (mPa s) = 0.89291 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.905e-03 Mass of water (kg) = 9.999e-01 @@ -11455,7 +11455,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 686 Density (g/cm³) = 0.99749 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89286 + Viscosity (mPa s) = 0.89290 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.869e-03 Mass of water (kg) = 9.999e-01 @@ -11615,7 +11615,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 683 Density (g/cm³) = 0.99749 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89285 + Viscosity (mPa s) = 0.89289 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.834e-03 Mass of water (kg) = 9.999e-01 @@ -11775,7 +11775,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 679 Density (g/cm³) = 0.99749 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89284 + Viscosity (mPa s) = 0.89288 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.801e-03 Mass of water (kg) = 9.999e-01 @@ -11935,7 +11935,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 675 Density (g/cm³) = 0.99748 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89283 + Viscosity (mPa s) = 0.89287 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.768e-03 Mass of water (kg) = 9.999e-01 @@ -12095,7 +12095,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 671 Density (g/cm³) = 0.99748 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89281 + Viscosity (mPa s) = 0.89286 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.737e-03 Mass of water (kg) = 9.999e-01 @@ -12255,7 +12255,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 668 Density (g/cm³) = 0.99748 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89280 + Viscosity (mPa s) = 0.89286 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.708e-03 Mass of water (kg) = 9.999e-01 @@ -12415,7 +12415,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 664 Density (g/cm³) = 0.99748 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89279 + Viscosity (mPa s) = 0.89285 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.680e-03 Mass of water (kg) = 9.999e-01 @@ -12575,7 +12575,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 661 Density (g/cm³) = 0.99748 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89278 + Viscosity (mPa s) = 0.89284 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.654e-03 Mass of water (kg) = 9.999e-01 @@ -12735,7 +12735,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 657 Density (g/cm³) = 0.99747 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89277 + Viscosity (mPa s) = 0.89284 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.630e-03 Mass of water (kg) = 9.999e-01 @@ -12895,7 +12895,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 654 Density (g/cm³) = 0.99747 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89276 + Viscosity (mPa s) = 0.89283 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.609e-03 Mass of water (kg) = 9.999e-01 @@ -13055,7 +13055,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 650 Density (g/cm³) = 0.99747 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89276 + Viscosity (mPa s) = 0.89283 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.589e-03 Mass of water (kg) = 9.999e-01 @@ -13215,7 +13215,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 647 Density (g/cm³) = 0.99747 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89275 + Viscosity (mPa s) = 0.89282 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.573e-03 Mass of water (kg) = 9.999e-01 @@ -13375,7 +13375,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 644 Density (g/cm³) = 0.99746 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89274 + Viscosity (mPa s) = 0.89282 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.560e-03 Mass of water (kg) = 9.999e-01 @@ -13535,7 +13535,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 641 Density (g/cm³) = 0.99746 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89274 + Viscosity (mPa s) = 0.89282 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.550e-03 Mass of water (kg) = 9.999e-01 @@ -13695,7 +13695,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 638 Density (g/cm³) = 0.99746 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89274 + Viscosity (mPa s) = 0.89283 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.544e-03 Mass of water (kg) = 9.999e-01 @@ -13855,7 +13855,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 635 Density (g/cm³) = 0.99746 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89273 + Viscosity (mPa s) = 0.89283 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.543e-03 Mass of water (kg) = 9.999e-01 @@ -14015,7 +14015,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 632 Density (g/cm³) = 0.99746 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89273 + Viscosity (mPa s) = 0.89283 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.546e-03 Mass of water (kg) = 9.999e-01 @@ -14175,7 +14175,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 630 Density (g/cm³) = 0.99746 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89273 + Viscosity (mPa s) = 0.89284 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.554e-03 Mass of water (kg) = 9.999e-01 @@ -14335,7 +14335,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89273 + Viscosity (mPa s) = 0.89285 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.568e-03 Mass of water (kg) = 9.999e-01 @@ -14495,7 +14495,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 625 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89274 + Viscosity (mPa s) = 0.89286 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.588e-03 Mass of water (kg) = 9.999e-01 @@ -14655,7 +14655,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 623 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89274 + Viscosity (mPa s) = 0.89288 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.615e-03 Mass of water (kg) = 9.999e-01 @@ -14812,10 +14812,10 @@ X 1.000e+00 mol pH = 7.630 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 622 + Specific Conductance (µS/cm, 25°C) = 621 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89275 + Viscosity (mPa s) = 0.89289 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.649e-03 Mass of water (kg) = 9.999e-01 @@ -14975,7 +14975,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 620 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89276 + Viscosity (mPa s) = 0.89291 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.690e-03 Mass of water (kg) = 9.999e-01 @@ -15135,7 +15135,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 619 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89277 + Viscosity (mPa s) = 0.89294 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.739e-03 Mass of water (kg) = 9.999e-01 @@ -15295,7 +15295,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 618 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89279 + Viscosity (mPa s) = 0.89297 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.797e-03 Mass of water (kg) = 9.999e-01 @@ -15455,7 +15455,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 617 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89281 + Viscosity (mPa s) = 0.89300 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.862e-03 Mass of water (kg) = 9.999e-01 @@ -15615,7 +15615,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 617 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89283 + Viscosity (mPa s) = 0.89303 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.935e-03 Mass of water (kg) = 9.999e-01 @@ -15772,10 +15772,10 @@ X 1.000e+00 mol pH = 7.441 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 617 + Specific Conductance (µS/cm, 25°C) = 616 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89285 + Viscosity (mPa s) = 0.89307 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.016e-03 Mass of water (kg) = 9.999e-01 @@ -15932,10 +15932,10 @@ X 1.000e+00 mol pH = 7.411 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 617 + Specific Conductance (µS/cm, 25°C) = 616 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89288 + Viscosity (mPa s) = 0.89311 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.105e-03 Mass of water (kg) = 9.999e-01 @@ -16095,7 +16095,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 617 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89291 + Viscosity (mPa s) = 0.89316 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.199e-03 Mass of water (kg) = 9.999e-01 @@ -16252,10 +16252,10 @@ X 1.000e+00 mol pH = 7.355 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 618 + Specific Conductance (µS/cm, 25°C) = 617 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89294 + Viscosity (mPa s) = 0.89321 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.299e-03 Mass of water (kg) = 9.999e-01 @@ -16415,7 +16415,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 618 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89298 + Viscosity (mPa s) = 0.89326 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.404e-03 Mass of water (kg) = 9.999e-01 @@ -16575,7 +16575,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 619 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89301 + Viscosity (mPa s) = 0.89331 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.511e-03 Mass of water (kg) = 9.999e-01 @@ -16735,7 +16735,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 620 Density (g/cm³) = 0.99745 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89336 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.620e-03 Mass of water (kg) = 9.999e-01 @@ -16895,7 +16895,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 621 Density (g/cm³) = 0.99746 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89309 + Viscosity (mPa s) = 0.89342 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.729e-03 Mass of water (kg) = 9.999e-01 @@ -17055,7 +17055,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 622 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89312 + Viscosity (mPa s) = 0.89347 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.836e-03 Mass of water (kg) = 9.999e-01 @@ -17212,10 +17212,10 @@ X 1.000e+00 mol pH = 7.215 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 623 + Specific Conductance (µS/cm, 25°C) = 622 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89316 + Viscosity (mPa s) = 0.89353 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.941e-03 Mass of water (kg) = 9.999e-01 @@ -17372,10 +17372,10 @@ X 1.000e+00 mol pH = 7.197 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 624 + Specific Conductance (µS/cm, 25°C) = 623 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89320 + Viscosity (mPa s) = 0.89358 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.043e-03 Mass of water (kg) = 9.999e-01 @@ -17535,7 +17535,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 624 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89324 + Viscosity (mPa s) = 0.89364 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.140e-03 Mass of water (kg) = 9.999e-01 @@ -17695,7 +17695,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 625 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89328 + Viscosity (mPa s) = 0.89369 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.231e-03 Mass of water (kg) = 9.999e-01 @@ -17852,10 +17852,10 @@ X 1.000e+00 mol pH = 7.152 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 626 + Specific Conductance (µS/cm, 25°C) = 625 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89331 + Viscosity (mPa s) = 0.89373 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.317e-03 Mass of water (kg) = 9.999e-01 @@ -18015,7 +18015,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89334 + Viscosity (mPa s) = 0.89378 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.397e-03 Mass of water (kg) = 9.999e-01 @@ -18172,10 +18172,10 @@ X 1.000e+00 mol pH = 7.129 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99746 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89338 + Viscosity (mPa s) = 0.89382 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.470e-03 Mass of water (kg) = 9.999e-01 @@ -18335,7 +18335,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89341 + Viscosity (mPa s) = 0.89386 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.537e-03 Mass of water (kg) = 9.999e-01 @@ -18495,7 +18495,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89343 + Viscosity (mPa s) = 0.89390 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.598e-03 Mass of water (kg) = 9.999e-01 @@ -18655,7 +18655,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89346 + Viscosity (mPa s) = 0.89393 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.654e-03 Mass of water (kg) = 9.999e-01 @@ -18812,10 +18812,10 @@ X 1.000e+00 mol pH = 7.095 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89348 + Viscosity (mPa s) = 0.89397 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.704e-03 Mass of water (kg) = 9.999e-01 @@ -18972,10 +18972,10 @@ X 1.000e+00 mol pH = 7.089 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89350 + Viscosity (mPa s) = 0.89399 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.748e-03 Mass of water (kg) = 9.999e-01 @@ -19132,10 +19132,10 @@ X 1.000e+00 mol pH = 7.083 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89352 + Viscosity (mPa s) = 0.89402 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.789e-03 Mass of water (kg) = 9.999e-01 @@ -19292,10 +19292,10 @@ X 1.000e+00 mol pH = 7.079 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89354 + Viscosity (mPa s) = 0.89404 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.825e-03 Mass of water (kg) = 9.999e-01 @@ -19452,10 +19452,10 @@ X 1.000e+00 mol pH = 7.074 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89356 + Viscosity (mPa s) = 0.89407 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.857e-03 Mass of water (kg) = 9.999e-01 @@ -19612,10 +19612,10 @@ X 1.000e+00 mol pH = 7.070 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89357 + Viscosity (mPa s) = 0.89409 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.885e-03 Mass of water (kg) = 9.999e-01 @@ -19772,10 +19772,10 @@ X 1.000e+00 mol pH = 7.067 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89359 + Viscosity (mPa s) = 0.89410 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.911e-03 Mass of water (kg) = 9.999e-01 @@ -19935,7 +19935,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89360 + Viscosity (mPa s) = 0.89412 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.933e-03 Mass of water (kg) = 9.999e-01 @@ -20095,7 +20095,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89361 + Viscosity (mPa s) = 0.89413 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.953e-03 Mass of water (kg) = 9.999e-01 @@ -20255,7 +20255,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89362 + Viscosity (mPa s) = 0.89415 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.971e-03 Mass of water (kg) = 9.999e-01 @@ -20415,7 +20415,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89363 + Viscosity (mPa s) = 0.89416 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.987e-03 Mass of water (kg) = 9.999e-01 @@ -20575,7 +20575,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89364 + Viscosity (mPa s) = 0.89417 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-02 Mass of water (kg) = 9.999e-01 @@ -20735,7 +20735,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89365 + Viscosity (mPa s) = 0.89418 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.001e-02 Mass of water (kg) = 9.999e-01 @@ -20895,7 +20895,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89365 + Viscosity (mPa s) = 0.89418 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.002e-02 Mass of water (kg) = 9.999e-01 @@ -21055,7 +21055,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89366 + Viscosity (mPa s) = 0.89419 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.003e-02 Mass of water (kg) = 9.999e-01 @@ -21212,10 +21212,10 @@ X 1.000e+00 mol pH = 7.050 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89366 + Viscosity (mPa s) = 0.89420 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.004e-02 Mass of water (kg) = 9.999e-01 @@ -21372,10 +21372,10 @@ X 1.000e+00 mol pH = 7.049 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89367 + Viscosity (mPa s) = 0.89420 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.005e-02 Mass of water (kg) = 9.999e-01 @@ -21532,10 +21532,10 @@ X 1.000e+00 mol pH = 7.048 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89367 + Viscosity (mPa s) = 0.89421 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.006e-02 Mass of water (kg) = 9.999e-01 @@ -21692,10 +21692,10 @@ X 1.000e+00 mol pH = 7.048 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89367 + Viscosity (mPa s) = 0.89421 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.006e-02 Mass of water (kg) = 9.999e-01 @@ -21852,10 +21852,10 @@ X 1.000e+00 mol pH = 7.047 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89368 + Viscosity (mPa s) = 0.89422 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.007e-02 Mass of water (kg) = 9.999e-01 @@ -22012,10 +22012,10 @@ X 1.000e+00 mol pH = 7.047 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89368 + Viscosity (mPa s) = 0.89422 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.007e-02 Mass of water (kg) = 9.999e-01 @@ -22172,10 +22172,10 @@ X 1.000e+00 mol pH = 7.046 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89368 + Viscosity (mPa s) = 0.89422 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.008e-02 Mass of water (kg) = 9.999e-01 @@ -22332,10 +22332,10 @@ X 1.000e+00 mol pH = 7.046 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89423 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.008e-02 Mass of water (kg) = 9.999e-01 @@ -22492,10 +22492,10 @@ X 1.000e+00 mol pH = 7.045 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89423 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.008e-02 Mass of water (kg) = 9.999e-01 @@ -22652,10 +22652,10 @@ X 1.000e+00 mol pH = 7.045 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89423 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-02 Mass of water (kg) = 9.999e-01 @@ -22812,10 +22812,10 @@ X 1.000e+00 mol pH = 7.045 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89423 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-02 Mass of water (kg) = 9.999e-01 @@ -22972,10 +22972,10 @@ X 1.000e+00 mol pH = 7.044 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89423 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-02 Mass of water (kg) = 9.999e-01 @@ -23132,10 +23132,10 @@ X 1.000e+00 mol pH = 7.044 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89423 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-02 Mass of water (kg) = 9.999e-01 @@ -23292,10 +23292,10 @@ X 1.000e+00 mol pH = 7.044 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-02 Mass of water (kg) = 9.999e-01 @@ -23452,10 +23452,10 @@ X 1.000e+00 mol pH = 7.044 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89369 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -23612,10 +23612,10 @@ X 1.000e+00 mol pH = 7.044 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -23772,10 +23772,10 @@ X 1.000e+00 mol pH = 7.044 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -23932,10 +23932,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -24092,10 +24092,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -24252,10 +24252,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -24412,10 +24412,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -24572,10 +24572,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -24732,10 +24732,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 9.999e-01 @@ -24892,10 +24892,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -25052,10 +25052,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -25212,10 +25212,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -25372,10 +25372,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -25532,10 +25532,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -25692,10 +25692,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -25852,10 +25852,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -26012,10 +26012,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -26172,10 +26172,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -26332,10 +26332,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -26492,10 +26492,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -26652,10 +26652,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -26812,10 +26812,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -26972,10 +26972,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -27132,10 +27132,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -27292,10 +27292,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -27452,10 +27452,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -27612,10 +27612,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -27772,10 +27772,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -27932,10 +27932,10 @@ X 1.000e+00 mol pH = 7.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 626 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -28095,7 +28095,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -28255,7 +28255,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -28415,7 +28415,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -28575,7 +28575,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -28735,7 +28735,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -28895,7 +28895,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -29055,7 +29055,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -29215,7 +29215,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -29375,7 +29375,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -29535,7 +29535,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -29695,7 +29695,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -29855,7 +29855,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -30015,7 +30015,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -30175,7 +30175,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -30335,7 +30335,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -30495,7 +30495,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -30655,7 +30655,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -30815,7 +30815,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -30975,7 +30975,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -31135,7 +31135,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -31295,7 +31295,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -31455,7 +31455,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -31615,7 +31615,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -31775,7 +31775,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -31935,7 +31935,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -32095,7 +32095,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -32255,7 +32255,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -32415,7 +32415,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.011e-02 Mass of water (kg) = 9.999e-01 @@ -32575,7 +32575,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99747 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89370 + Viscosity (mPa s) = 0.89424 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.012e-02 Mass of water (kg) = 9.999e-01 diff --git a/mytest/ex10_pz_101.sel b/mytest/ex10_pz_101.sel index 8f453409f..337825835 100644 --- a/mytest/ex10_pz_101.sel +++ b/mytest/ex10_pz_101.sel @@ -1,207 +1,207 @@ Mu SC - 7.285855082456 243022.2726962088 - 7.285855082461 243022.2726960460 - 7.285855082460 243022.2726961729 - 7.272611469575 243640.4707558252 - 0.001065639344 82.9376052878 - 0.010129326464 629.2282741557 - 0.035082916307 2960.2787577220 - 0.026804316906 2239.8171038720 - 0.023199042723 1949.7537430640 - 0.020690591254 1747.4038885669 - 0.018841333009 1597.1140341063 - 0.017419023132 1480.7853170102 - 0.016292831384 1388.2089941242 - 0.015382368704 1313.0825188735 - 0.014634641456 1251.2284641804 - 0.014012745350 1199.7184996501 - 0.013489865480 1156.4076360062 - 0.013045884108 1119.6712834405 - 0.012665354594 1088.2490307541 - 0.012336225229 1061.1469935861 - 0.012048991151 1037.5733431846 - 0.011796101290 1016.8932887847 - 0.011571525370 998.5960191658 - 0.011370427530 982.2694690686 - 0.011188915153 967.5805647706 - 0.011023843181 954.2595396038 - 0.010872660657 942.0874002758 - 0.010733289941 930.8858906194 - 0.010604031427 920.5094560711 - 0.010483488270 910.8388157043 - 0.010370506808 901.7758248367 - 0.010264129330 893.2393713486 - 0.010163555799 885.1620377393 - 0.010068117024 877.4877277237 - 0.009977246149 870.1691948426 - 0.009890462708 863.1666197209 - 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626.8008118736 + 0.010076335673 626.7781079919 + 0.010080025497 626.7592622581 + 0.010083302683 626.7439491635 + 0.010086215210 626.7318530219 + 0.010088805475 626.7226724952 + 0.010091110937 626.7161234929 + 0.010093164692 626.7119408336 + 0.010094995978 626.7098789821 + 0.010096630624 626.7097121098 + 0.010098091447 626.7112336700 + 0.010099398604 626.7142556402 + 0.010100569901 626.7186075463 + 0.010101621068 626.7241353542 + 0.010102566001 626.7307002966 + 0.010103416977 626.7381776794 + 0.010104184841 626.7464557055 + 0.010104879177 626.7554343362 + 0.010105508448 626.7650242089 + 0.010106080135 626.7751456193 + 0.010106600847 626.7857275734 + 0.010107076422 626.7967069127 + 0.010107512020 626.8080275104 + 0.010107912199 626.8196395380 + 0.010108280988 626.8314987986 + 0.010108621946 626.8435661234 + 0.010108938220 626.8558068267 + 0.010109232587 626.8681902159 + 0.010109507505 626.8806891507 + 0.010109765145 626.8932796493 + 0.010110007425 626.9059405347 + 0.010110236041 626.9186531201 + 0.010110452491 626.9314009274 + 0.010110658100 626.9441694372 + 0.010110854038 626.9569458655 + 0.010111041340 626.9697189659 + 0.010111220922 626.9824788532 + 0.010111393592 626.9952168473 + 0.010111560064 627.0079253346 + 0.010111720972 627.0205976447 + 0.010111876873 627.0332279419 + 0.010112028263 627.0458111280 + 0.010112175579 627.0583427571 + 0.010112319206 627.0708189600 + 0.010112459488 627.0832363769 + 0.010112596727 627.0955920980 + 0.010112731191 627.1078836115 + 0.010112863117 627.1201087564 + 0.010112992715 627.1322656824 + 0.010113120170 627.1443528128 + 0.010113245648 627.1563688126 + 0.010113369294 627.1683125606 + 0.010113491237 627.1801831235 + 0.010113611593 627.1919797345 + 0.010113730462 627.2037017732 + 0.010113847936 627.2153487485 + 0.010113964094 627.2269202835 + 0.010114079007 627.2384161013 + 0.010114192740 627.2498360139 + 0.010114305348 627.2611799111 + 0.010114416882 627.2724477513 + 0.010114527387 627.2836395534 + 0.010114636902 627.2947553892 + 0.010114745464 627.3057953776 + 0.010114853104 627.3167596780 + 0.010114959851 627.3276484861 + 0.010115065731 627.3384620291 diff --git a/mytest/ex11.out b/mytest/ex11.out index 0a4e07f6b..a3fe0a954 100644 --- a/mytest/ex11.out +++ b/mytest/ex11.out @@ -88,7 +88,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 38 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89038 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.855e-04 Mass of water (kg) = 1.000e+00 @@ -147,7 +147,6 @@ Na 1.340e-04 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 - NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40 S(6) 1.000e-05 @@ -218,7 +217,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 97 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 @@ -277,7 +276,6 @@ Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 - NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40 S(6) 2.500e-05 diff --git a/mytest/ex11_101.sel b/mytest/ex11_101.sel index e75317cff..a6ba2b123 100644 --- a/mytest/ex11_101.sel +++ b/mytest/ex11_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000485529673 38.1121263078 - 0.001316661388 97.4742379483 + 0.000485529673 38.1048693287 + 0.001316661388 97.4529034025 diff --git a/mytest/ex12.out b/mytest/ex12.out index e536aed47..7824f7d20 100644 --- a/mytest/ex12.out +++ b/mytest/ex12.out @@ -131,7 +131,6 @@ Mg 2.806e-02 Na 2.544e-01 Na+ 2.484e-01 1.801e-01 -0.605 -0.745 -0.140 -0.76 NaSO4- 5.998e-03 4.286e-03 -2.222 -2.368 -0.146 3.00 - NaOH 1.664e-17 1.804e-17 -16.779 -16.744 0.035 (0) O(0) 1.504e-38 O2 7.518e-39 8.151e-39 -38.124 -38.089 0.035 30.40 S(6) 1.527e-02 @@ -223,7 +222,6 @@ Mg 2.353e+00 Na 2.720e+00 Na+ 2.312e+00 6.440e+00 0.364 0.809 0.445 1.88 NaSO4- 4.082e-01 2.357e-01 -0.389 -0.628 -0.239 39.31 - NaOH 6.362e-17 5.230e-16 -16.196 -15.282 0.915 (0) O(0) 1.303e-39 O2 6.513e-40 5.354e-39 -39.186 -38.271 0.915 30.40 S(6) 8.986e-01 diff --git a/mytest/ex12_101.sel b/mytest/ex12_101.sel index 6e7e165bd..e321801d2 100644 --- a/mytest/ex12_101.sel +++ b/mytest/ex12_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.350764706388 29831.4268247151 - 9.148627568117 127224.2881470314 + 0.350764706388 29831.4252517249 + 9.148627568117 127224.2844588367 diff --git a/mytest/ex16mp.out b/mytest/ex16mp.out index 8d2d9bf8d..376878463 100644 --- a/mytest/ex16mp.out +++ b/mytest/ex16mp.out @@ -69,7 +69,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 38 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89038 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.855e-04 Mass of water (kg) = 1.000e+00 @@ -128,7 +128,6 @@ Na 1.340e-04 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 - NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40 S(6) 1.000e-05 @@ -199,7 +198,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 97 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 @@ -258,7 +257,6 @@ Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 - NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40 S(6) 2.500e-05 diff --git a/mytest/ex16mp_101.sel b/mytest/ex16mp_101.sel index e75317cff..a6ba2b123 100644 --- a/mytest/ex16mp_101.sel +++ b/mytest/ex16mp_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000485529673 38.1121263078 - 0.001316661388 97.4742379483 + 0.000485529673 38.1048693287 + 0.001316661388 97.4529034025 diff --git a/mytest/ex17mp.out b/mytest/ex17mp.out index b5e906e6b..4643c1f0e 100644 --- a/mytest/ex17mp.out +++ b/mytest/ex17mp.out @@ -151,7 +151,6 @@ Na 2.544e-01 Na+ 2.483e-01 1.800e-01 -0.605 -0.745 -0.140 -0.76 NaSO4- 5.999e-03 4.287e-03 -2.222 -2.368 -0.146 3.00 NaHCO3 6.320e-05 7.429e-05 -4.199 -4.129 0.070 31.73 - NaOH 1.664e-17 1.804e-17 -16.779 -16.744 0.035 (0) O(0) 1.504e-38 O2 7.518e-39 8.151e-39 -38.124 -38.089 0.035 30.40 S(6) 1.527e-02 @@ -265,7 +264,6 @@ Na 2.720e+00 Na+ 2.312e+00 6.453e+00 0.364 0.810 0.446 1.88 NaSO4- 4.079e-01 2.355e-01 -0.389 -0.628 -0.239 39.33 NaHCO3 3.179e-08 2.158e-06 -7.498 -5.666 1.832 31.73 - NaOH 6.360e-20 5.240e-19 -19.197 -18.281 0.916 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.187 -50.271 0.916 30.40 S(6) 8.986e-01 diff --git a/mytest/ex17mp_101.sel b/mytest/ex17mp_101.sel index 1c054fe98..df8fd9a2a 100644 --- a/mytest/ex17mp_101.sel +++ b/mytest/ex17mp_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.350963716420 29837.5956606849 - 9.159034343803 127047.5300800159 + 0.350963716420 29837.5679085253 + 9.159034343803 127047.5122900363 diff --git a/mytest/ex18mp.out b/mytest/ex18mp.out index 40de53bf0..9a3b902d0 100644 --- a/mytest/ex18mp.out +++ b/mytest/ex18mp.out @@ -98,7 +98,7 @@ Initial solution 1. Recharge number 3 Specific Conductance (µS/cm, 10°C) = 278 Density (g/cm³) = 0.99999 Volume (L) = 1.00035 - Viscosity (mPa s) = 1.31358 + Viscosity (mPa s) = 1.31409 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.588e-03 Mass of water (kg) = 1.000e+00 @@ -170,7 +170,6 @@ Na 2.000e-05 Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42 NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86 NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96 - NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94 S(6) 1.600e-04 @@ -232,10 +231,10 @@ Initial solution 2. Mysse pH = 6.610 pe = 0.000 - Specific Conductance (µS/cm, 63°C) = 10507 + Specific Conductance (µS/cm, 63°C) = 10505 Density (g/cm³) = 0.98520 Volume (L) = 1.01942 - Viscosity (mPa s) = 0.45606 + Viscosity (mPa s) = 0.45631 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.101e-02 Mass of water (kg) = 1.000e+00 @@ -315,7 +314,6 @@ Na 3.189e-02 Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09 NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67 NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20 - NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51 S(-2) 2.600e-04 diff --git a/mytest/ex18mp_101.sel b/mytest/ex18mp_101.sel index 692b5c19a..6d872a33f 100644 --- a/mytest/ex18mp_101.sel +++ b/mytest/ex18mp_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.006588098451 278.9687558794 - 0.071009749837 10507.7392295651 + 0.006588098451 278.9069785580 + 0.071009749837 10505.0063496441 diff --git a/mytest/ex1_101.sel b/mytest/ex1_101.sel index 8d3405bb2..0b67e8c57 100644 --- a/mytest/ex1_101.sel +++ b/mytest/ex1_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.670406807480 52856.3736746012 + 0.670406807480 52856.3091042353 diff --git a/mytest/ex2_101.sel b/mytest/ex2_101.sel index bee148cd4..1764ee9ce 100644 --- a/mytest/ex2_101.sel +++ b/mytest/ex2_101.sel @@ -1,53 +1,53 @@ Mu SC 0.000000100661 0.0546997340 - 0.041737056157 2485.3654363478 - 0.041796709086 2545.8356925477 - 0.041848730424 2606.4419797044 - 0.041893197469 2667.1537322844 - 0.041930190645 2727.9404751202 - 0.041959793357 2788.7718502582 - 0.041982091833 2849.6176432908 - 0.041997174980 2910.4478091473 - 0.042005134646 2971.2325039126 - 0.042006063431 3031.9420765540 - 0.042000058909 3092.5471633992 - 0.041987218253 3153.0186266735 - 0.041967641757 3213.3276368499 - 0.041941431894 3273.4456824701 - 0.041908691984 3333.3445703680 - 0.041869527165 3392.9964653304 - 0.041824044444 3452.3739142925 - 0.041772351512 3511.4498455876 - 0.041714557708 3570.1976081740 - 0.041650773306 3628.5909782991 - 0.041581109533 3686.6041791640 - 0.041505678507 3744.2118984757 - 0.041424593012 3801.3893016160 - 0.041337966485 3858.1120485570 - 0.041245912905 3914.3563078295 - 0.041148546655 3970.0987689561 - 0.041045982447 4025.3166554886 - 0.040938335230 4079.9877378082 - 0.040825720078 4134.0903414692 - 0.040708252120 4187.6033601413 - 0.040203265385 4201.9216097143 - 0.039463768023 4190.8491065566 - 0.038735664322 4178.8158861772 - 0.038018881275 4165.8484343896 - 0.037313341426 4151.9732144128 - 0.036618963162 4137.2166401340 - 0.035935660947 4121.6050493573 - 0.035263345577 4105.1646791272 - 0.034601924422 4087.9216420531 - 0.033951301663 4069.9019037636 - 0.033311378477 4051.1312605819 - 0.032682053305 4031.6353204208 - 0.032063222037 4011.4394831323 - 0.031454778217 3990.5689223928 - 0.030856613240 3969.0485686426 - 0.030268616534 3946.9030930569 - 0.029690675741 3924.1568925190 - 0.029122676749 3900.8340712286 - 0.028564504428 3876.9584447575 - 0.028016041946 3852.5535026832 - 0.027477171474 3827.6424137588 + 0.041737056157 2485.3654276774 + 0.041796709086 2545.8356833207 + 0.041848730424 2606.4419698882 + 0.041893197469 2667.1537218445 + 0.041930190645 2727.9404640202 + 0.041959793357 2788.7718384596 + 0.041982091833 2849.6176307527 + 0.041997174980 2910.4477958267 + 0.042005134646 2971.2324897640 + 0.042006063431 3031.9420615293 + 0.042000058909 3092.5471474477 + 0.041987218253 3153.0186097416 + 0.041967641757 3213.3276188812 + 0.041941431894 3273.4456634050 + 0.041908691984 3333.3445501437 + 0.041869527165 3392.9964438810 + 0.041824044444 3452.3738915485 + 0.041772351512 3511.4498214757 + 0.041714557708 3570.1975826175 + 0.041650773306 3628.5909512169 + 0.041581109533 3686.6041504714 + 0.041505678507 3744.2118680834 + 0.041424593012 3801.3892694305 + 0.041337966485 3858.1120144801 + 0.041245912905 3914.3562717582 + 0.041148546655 3970.0987307826 + 0.041045982447 4025.3166150999 + 0.040938335230 4079.9876950859 + 0.040825720078 4134.0902962896 + 0.040708252120 4187.6033123749 + 0.040203265385 4201.9215598321 + 0.039463768023 4190.8490548648 + 0.038735664322 4178.8158326200 + 0.038018881275 4165.8483789098 + 0.037313341426 4151.9731569522 + 0.036618963162 4137.2165806334 + 0.035935660947 4121.6049877561 + 0.035263345577 4105.1646153639 + 0.034601924422 4087.9215760649 + 0.033951301663 4069.9018354869 + 0.033311378477 4051.1311899517 + 0.032682053305 4031.6352473712 + 0.032063222037 4011.4394075963 + 0.031454778217 3990.5688443024 + 0.030856613240 3969.0484879287 + 0.030268616534 3946.9030096493 + 0.029690675741 3924.1568063468 + 0.029122676749 3900.8339822196 + 0.028564504428 3876.9583528385 + 0.028016041946 3852.5534077802 + 0.027477171474 3827.6423157968 diff --git a/mytest/ex3.out b/mytest/ex3.out index aa2c984a2..68ca56c07 100644 --- a/mytest/ex3.out +++ b/mytest/ex3.out @@ -133,7 +133,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.623e-03 Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 0.99726 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89219 + Viscosity (mPa s) = 0.89272 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.826e-03 Mass of water (kg) = 1.000e+00 @@ -244,7 +244,7 @@ Initial solution 2. Seawater Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -303,7 +303,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.622e-20 O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40 S(6) 2.926e-02 @@ -401,11 +400,11 @@ Mixture 1. ----------------------------Description of solution---------------------------- pH = 7.327 Charge balance - pe = 10.559 Adjusted to redox equilibrium + pe = 10.560 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18310 Density (g/cm³) = 1.00526 Volume (L) = 1.00578 - Viscosity (mPa s) = 0.91373 + Viscosity (mPa s) = 0.91375 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.068e-01 Mass of water (kg) = 1.000e+00 @@ -427,7 +426,7 @@ Mixture 1. H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.395 -122.374 0.021 35.46 + CH4 0.000e+00 0.000e+00 -122.397 -122.377 0.021 35.46 C(4) 3.175e-03 HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15 CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43 @@ -449,8 +448,8 @@ Ca 4.334e-03 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46 HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0) -H(0) 2.284e-39 - H2 1.142e-39 1.198e-39 -38.942 -38.922 0.021 28.61 +H(0) 2.281e-39 + H2 1.140e-39 1.196e-39 -38.943 -38.922 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03 @@ -466,14 +465,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73 - NaOH 2.166e-18 2.272e-18 -17.664 -17.644 0.021 (0) -O(0) 5.475e-15 - O2 2.738e-15 2.871e-15 -14.563 -14.542 0.021 30.40 +O(0) 5.492e-15 + O2 2.746e-15 2.880e-15 -14.561 -14.541 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.519 -119.672 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -120.077 -120.056 0.021 36.27 - S-2 0.000e+00 0.000e+00 -124.732 -125.263 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -241.412 -241.391 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.522 -119.674 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.080 -120.059 0.021 36.27 + S-2 0.000e+00 0.000e+00 -124.735 -125.266 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.417 -241.396 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 @@ -496,7 +494,7 @@ Si 2.215e-05 Aragonite -0.27 -8.60 -8.34 CaCO3 Arcanite -6.35 -8.23 -1.88 K2SO4 Calcite -0.12 -8.60 -8.48 CaCO3 - CH4(g) -119.57 -122.37 -2.80 CH4 + CH4(g) -119.57 -122.38 -2.80 CH4 Chalcedony -1.08 -4.63 -3.55 SiO2 Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4 CO2(g) -2.21 -3.68 -1.47 CO2 @@ -515,7 +513,7 @@ Si 2.215e-05 Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -1.92 -4.63 -2.71 SiO2 - Sulfur -89.17 -84.28 4.88 S + Sulfur -89.17 -84.29 4.88 S Sylvite -4.47 -3.57 0.90 KCl Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2 Thenardite -4.56 -4.86 -0.30 Na2SO4 @@ -577,10 +575,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03 pH = 7.047 Charge balance pe = 10.927 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18479 + Specific Conductance (µS/cm, 25°C) = 18478 Density (g/cm³) = 1.00533 Volume (L) = 1.00583 - Viscosity (mPa s) = 0.91249 + Viscosity (mPa s) = 0.91253 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.071e-01 Mass of water (kg) = 1.000e+00 @@ -602,7 +600,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03 H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.863 -122.842 0.021 35.46 + CH4 0.000e+00 0.000e+00 -122.863 -122.843 0.021 35.46 C(4) 3.016e-03 HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15 CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43 @@ -624,8 +622,8 @@ Ca 1.196e-02 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0) -H(0) 1.519e-39 - H2 7.594e-40 7.965e-40 -39.120 -39.099 0.021 28.61 +H(0) 1.518e-39 + H2 7.590e-40 7.961e-40 -39.120 -39.099 0.021 28.61 K 3.173e-03 K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35 KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03 @@ -641,14 +639,13 @@ Na 1.456e-01 Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73 - NaOH 1.138e-18 1.193e-18 -17.944 -17.923 0.021 (0) -O(0) 1.238e-14 - O2 6.191e-15 6.493e-15 -14.208 -14.188 0.021 30.40 +O(0) 1.239e-14 + O2 6.197e-15 6.500e-15 -14.208 -14.187 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.936 -120.089 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -120.215 -120.194 0.021 36.27 - S-2 0.000e+00 0.000e+00 -125.428 -125.960 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -241.688 -241.667 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.937 -120.090 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.216 -120.195 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.429 -125.961 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.689 -241.669 0.021 30.09 S(6) 8.777e-03 SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 @@ -685,7 +682,7 @@ Si 2.215e-05 Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O Kieserite -4.32 -5.48 -1.16 MgSO4:H2O Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O - O2(g) -11.30 -14.19 -2.89 O2 + O2(g) -11.29 -14.19 -2.89 O2 Quartz -0.65 -4.63 -3.98 SiO2 Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O @@ -750,10 +747,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05 pH = 7.433 Charge balance pe = 10.542 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18315 + Specific Conductance (µS/cm, 25°C) = 18314 Density (g/cm³) = 1.00527 Volume (L) = 1.00578 - Viscosity (mPa s) = 0.91380 + Viscosity (mPa s) = 0.91382 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.069e-01 Mass of water (kg) = 1.000e+00 @@ -775,7 +772,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05 H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -123.201 -123.180 0.021 35.46 + CH4 0.000e+00 0.000e+00 -123.203 -123.182 0.021 35.46 C(4) 3.221e-03 HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 @@ -797,8 +794,8 @@ Ca 4.380e-03 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0) -H(0) 1.517e-39 - H2 7.584e-40 7.954e-40 -39.120 -39.099 0.021 28.61 +H(0) 1.515e-39 + H2 7.577e-40 7.946e-40 -39.121 -39.100 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03 @@ -814,14 +811,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 - NaOH 2.769e-18 2.904e-18 -17.558 -17.537 0.021 (0) -O(0) 1.242e-14 - O2 6.209e-15 6.512e-15 -14.207 -14.186 0.021 30.40 +O(0) 1.244e-14 + O2 6.221e-15 6.524e-15 -14.206 -14.185 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -120.337 -120.489 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -121.002 -120.981 0.021 36.27 - S-2 0.000e+00 0.000e+00 -125.443 -125.974 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -243.261 -243.240 0.021 30.09 + HS- 0.000e+00 0.000e+00 -120.339 -120.491 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -121.003 -120.983 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.445 -125.976 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -243.264 -243.243 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 diff --git a/mytest/ex3_101.sel b/mytest/ex3_101.sel index 3f03e7795..8ae8b2661 100644 --- a/mytest/ex3_101.sel +++ b/mytest/ex3_101.sel @@ -1,7 +1,7 @@ Mu SC 0.000000100661 0.0546997340 - 0.004825593442 307.7198457080 - 0.670402506809 52856.7076292453 - 0.206832094395 18310.9172281462 - 0.207111579544 18479.3896329717 - 0.206941923487 18315.0843455608 + 0.004825593442 307.6125352977 + 0.670402506809 52856.6430529688 + 0.206832094395 18310.5770230106 + 0.207111579544 18478.8131756853 + 0.206941923487 18314.8102994689 diff --git a/mytest/ex4.out b/mytest/ex4.out index 8650adfdd..3aef8338f 100644 --- a/mytest/ex4.out +++ b/mytest/ex4.out @@ -159,7 +159,6 @@ Na 6.133e-06 Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51 NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48 NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73 - NaOH 1.941e-25 1.941e-25 -24.712 -24.712 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40 S(6) 1.353e-05 @@ -216,7 +215,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 0.05017 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89048 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 5.002e-02 @@ -287,7 +286,6 @@ Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 - NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 @@ -357,7 +355,7 @@ Mixture 1. Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 1.00332 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89048 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 1.000e+00 @@ -428,7 +426,6 @@ Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 - NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 diff --git a/mytest/ex4_101.sel b/mytest/ex4_101.sel index 72bd481d0..03d26a74b 100644 --- a/mytest/ex4_101.sel +++ b/mytest/ex4_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.000088389032 15.5647289534 - 0.001529421508 292.8643907632 - 0.001529421508 292.8643907632 + 0.000088389032 15.5646966431 + 0.001529421508 292.8465845700 + 0.001529421508 292.8465845700 diff --git a/mytest/ex5.out b/mytest/ex5.out index 908c15a22..ac740531f 100644 --- a/mytest/ex5.out +++ b/mytest/ex5.out @@ -314,7 +314,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04 Specific Conductance (µS/cm, 25°C) = 236 Density (g/cm³) = 0.99718 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89181 + Viscosity (mPa s) = 0.89184 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.478e-03 Mass of water (kg) = 1.000e+00 @@ -466,10 +466,10 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 pH = 6.945 Charge balance pe = -2.661 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 899 + Specific Conductance (µS/cm, 25°C) = 898 Density (g/cm³) = 0.99764 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89538 + Viscosity (mPa s) = 0.89607 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.382e-02 Mass of water (kg) = 1.000e+00 @@ -621,10 +621,10 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03 pH = 6.608 Charge balance pe = -2.205 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1504 + Specific Conductance (µS/cm, 25°C) = 1503 Density (g/cm³) = 0.99812 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89829 + Viscosity (mPa s) = 0.90007 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.366e-02 Mass of water (kg) = 9.999e-01 @@ -776,10 +776,10 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.334e-02 pH = 6.030 Charge balance pe = -1.439 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3197 + Specific Conductance (µS/cm, 25°C) = 3182 Density (g/cm³) = 0.99972 Volume (L) = 1.00325 - Viscosity (mPa s) = 0.90613 + Viscosity (mPa s) = 0.91591 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.199e-02 Mass of water (kg) = 9.993e-01 diff --git a/mytest/ex5_101.sel b/mytest/ex5_101.sel index e9bc50eff..3860e9141 100644 --- a/mytest/ex5_101.sel +++ b/mytest/ex5_101.sel @@ -1,7 +1,7 @@ Mu SC 0.000000100661 0.0546997340 - 0.000386037400 36.1765186692 - 0.003478455093 236.4039121973 - 0.013822097830 899.2224798109 - 0.023658453718 1504.3895186522 - 0.051985278226 3197.3551139137 + 0.000386037400 36.1764316546 + 0.003478455093 236.4009547385 + 0.013822097830 898.8913678100 + 0.023658453718 1503.0043087512 + 0.051985278226 3182.0887612556 diff --git a/mytest/ex6.cvode_101.sel b/mytest/ex6.cvode_101.sel index 77a3b5ca1..63658c5ec 100644 --- a/mytest/ex6.cvode_101.sel +++ b/mytest/ex6.cvode_101.sel @@ -1,30 +1,30 @@ Mu SC 0.000000100644 0.0547821292 0.000000126671 0.0574612478 - 0.000002184622 0.4991345752 - 0.000020102076 4.0468376226 - 0.000127310996 14.1617567910 - 0.000003029023 0.6908453944 - 0.000021985904 3.9560065334 + 0.000002184622 0.4991345759 + 0.000020102076 4.0468376656 + 0.000127310996 14.1617574786 + 0.000003029023 0.6908453956 + 0.000021985904 3.9560065776 0.000000134389 0.0577504286 0.000000159593 0.0597292850 0.000000218344 0.0679017254 - 0.000000355992 0.0943335004 - 0.000000659647 0.1608330987 - 0.000001012956 0.2402986444 - 0.000002006764 0.4605370733 - 0.000004003348 0.9185164607 - 0.000008001751 1.7977942531 - 0.000016001293 3.3385788399 - 0.000021865928 3.9604366495 - 0.000042730594 6.4664393655 - 0.000066713304 8.8862780369 - 0.000127310996 14.1617567910 + 0.000000355992 0.0943335005 + 0.000000659647 0.1608330988 + 0.000001012956 0.2402986446 + 0.000002006764 0.4605370739 + 0.000004003348 0.9185164628 + 0.000008001751 1.7977942610 + 0.000016001293 3.3385788685 + 0.000021865928 3.9604366936 + 0.000042730594 6.4664394948 + 0.000066713304 8.8862782943 + 0.000127310996 14.1617574786 0.000000100645 0.0546914117 - 0.000000101885 0.0548187859 - 0.000000114280 0.0560955751 - 0.000000203465 0.0655275748 - 0.000001416021 0.3305483692 - 0.000014053885 2.9852233648 - 0.000084439096 10.5133222224 - 0.000127313764 14.1619933839 + 0.000000101885 0.0548187860 + 0.000000114280 0.0560955752 + 0.000000203465 0.0655275749 + 0.000001416021 0.3305483696 + 0.000014053885 2.9852233873 + 0.000084439096 10.5133225908 + 0.000127313764 14.1619940715 diff --git a/mytest/ex6_101.sel b/mytest/ex6_101.sel index 347d6071e..e5bbc24c3 100644 --- a/mytest/ex6_101.sel +++ b/mytest/ex6_101.sel @@ -1,23 +1,23 @@ Mu SC 0.000000100644 0.0547821292 0.000000126671 0.0574612478 - 0.000002184622 0.4991345752 - 0.000020102076 4.0468376226 - 0.000127310996 14.1617567910 - 0.000003029023 0.6908453944 - 0.000021985904 3.9560065351 + 0.000002184622 0.4991345759 + 0.000020102076 4.0468376656 + 0.000127310996 14.1617574786 + 0.000003029023 0.6908453956 + 0.000021985904 3.9560065792 0.000000134389 0.0577504286 0.000000159593 0.0597292850 0.000000218344 0.0679017254 - 0.000000355992 0.0943335004 - 0.000000659647 0.1608330987 - 0.000001012956 0.2402986444 - 0.000002006764 0.4605370733 - 0.000004003348 0.9185164607 - 0.000008001751 1.7977942531 - 0.000016001293 3.3385788399 - 0.000021865928 3.9604366485 - 0.000026760089 4.5909945631 - 0.000033411252 5.4102854035 - 0.000018668007 4.2450373781 - 0.000052168630 4.7915115459 + 0.000000355992 0.0943335005 + 0.000000659647 0.1608330988 + 0.000001012956 0.2402986446 + 0.000002006764 0.4605370739 + 0.000004003348 0.9185164628 + 0.000008001751 1.7977942610 + 0.000016001293 3.3385788685 + 0.000021865928 3.9604366926 + 0.000026760089 4.5909946242 + 0.000033411252 5.4102854911 + 0.000018668007 4.2450374203 + 0.000052168630 4.7915116312 diff --git a/mytest/ex7.out b/mytest/ex7.out index 30095fc47..aadcacd02 100644 --- a/mytest/ex7.out +++ b/mytest/ex7.out @@ -135,7 +135,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.453e-03 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99737 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89454 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.281e-03 Mass of water (kg) = 1.000e+00 @@ -252,7 +252,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 464 Density (g/cm³) = 0.99737 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89303 + Viscosity (mPa s) = 0.89505 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.354e-03 Mass of water (kg) = 1.000e+00 @@ -355,10 +355,10 @@ Reaction 1. pH = 6.715 Charge balance pe = -3.626 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 472 + Specific Conductance (µS/cm, 25°C) = 471 Density (g/cm³) = 0.99737 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89551 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.425e-03 Mass of water (kg) = 1.000e+00 @@ -461,10 +461,10 @@ Reaction 1. pH = 6.631 Charge balance pe = -3.553 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 479 + Specific Conductance (µS/cm, 25°C) = 478 Density (g/cm³) = 0.99737 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89592 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.495e-03 Mass of water (kg) = 9.999e-01 @@ -581,10 +581,10 @@ NH3(g) -8.07 8.576e-09 0.992 0.000e+00 2.543e-12 2.543e-12 pH = 6.566 Charge balance pe = -3.486 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 486 + Specific Conductance (µS/cm, 25°C) = 485 Density (g/cm³) = 0.99737 Volume (L) = 1.00316 - Viscosity (mPa s) = 0.89307 + Viscosity (mPa s) = 0.89627 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.565e-03 Mass of water (kg) = 9.999e-01 @@ -701,10 +701,10 @@ NH3(g) -7.93 1.163e-08 0.992 0.000e+00 2.728e-11 2.728e-11 pH = 6.401 Charge balance pe = -3.295 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 514 + Specific Conductance (µS/cm, 25°C) = 512 Density (g/cm³) = 0.99740 Volume (L) = 1.00321 - Viscosity (mPa s) = 0.89312 + Viscosity (mPa s) = 0.89738 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.839e-03 Mass of water (kg) = 9.999e-01 @@ -821,10 +821,10 @@ NH3(g) -7.80 1.574e-08 0.992 0.000e+00 1.093e-10 1.093e-10 pH = 6.243 Charge balance pe = -3.107 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 567 + Specific Conductance (µS/cm, 25°C) = 565 Density (g/cm³) = 0.99744 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.89324 + Viscosity (mPa s) = 0.89889 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.362e-03 Mass of water (kg) = 9.999e-01 @@ -941,10 +941,10 @@ NH3(g) -7.66 2.204e-08 0.992 0.000e+00 3.930e-10 3.930e-10 pH = 6.129 Charge balance pe = -2.965 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 659 + Specific Conductance (µS/cm, 25°C) = 656 Density (g/cm³) = 0.99751 Volume (L) = 1.00342 - Viscosity (mPa s) = 0.89349 + Viscosity (mPa s) = 0.90075 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.250e-03 Mass of water (kg) = 9.999e-01 @@ -1061,10 +1061,10 @@ NH3(g) -7.54 2.900e-08 0.992 0.000e+00 1.269e-09 1.269e-09 pH = 6.070 Charge balance pe = -2.883 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 763 + Specific Conductance (µS/cm, 25°C) = 760 Density (g/cm³) = 0.99758 Volume (L) = 1.00354 - Viscosity (mPa s) = 0.89379 + Viscosity (mPa s) = 0.90255 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.026e-02 Mass of water (kg) = 9.999e-01 @@ -1181,10 +1181,10 @@ NH3(g) -7.48 3.286e-08 0.992 0.000e+00 3.237e-09 3.237e-09 pH = 6.041 Charge balance pe = -2.841 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 829 + Specific Conductance (µS/cm, 25°C) = 825 Density (g/cm³) = 0.99763 Volume (L) = 1.00361 - Viscosity (mPa s) = 0.89399 + Viscosity (mPa s) = 0.90366 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.090e-02 Mass of water (kg) = 9.998e-01 @@ -1301,10 +1301,10 @@ NH3(g) -7.46 3.447e-08 0.992 0.000e+00 7.401e-09 7.401e-09 pH = 6.026 Charge balance pe = -2.818 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 862 + Specific Conductance (µS/cm, 25°C) = 858 Density (g/cm³) = 0.99765 Volume (L) = 1.00365 - Viscosity (mPa s) = 0.89409 + Viscosity (mPa s) = 0.90425 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.122e-02 Mass of water (kg) = 9.998e-01 @@ -1421,10 +1421,10 @@ NH3(g) -7.45 3.511e-08 0.992 0.000e+00 1.577e-08 1.577e-08 pH = 6.018 Charge balance pe = -2.807 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 877 + Specific Conductance (µS/cm, 25°C) = 873 Density (g/cm³) = 0.99766 Volume (L) = 1.00368 - Viscosity (mPa s) = 0.89414 + Viscosity (mPa s) = 0.90453 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.136e-02 Mass of water (kg) = 9.998e-01 @@ -1541,10 +1541,10 @@ NH3(g) -7.45 3.538e-08 0.992 0.000e+00 3.252e-08 3.252e-08 pH = 6.014 Charge balance pe = -2.801 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 884 + Specific Conductance (µS/cm, 25°C) = 880 Density (g/cm³) = 0.99767 Volume (L) = 1.00369 - Viscosity (mPa s) = 0.89416 + Viscosity (mPa s) = 0.90467 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.143e-02 Mass of water (kg) = 9.998e-01 diff --git a/mytest/ex7_101.sel b/mytest/ex7_101.sel index 188f1e7db..92d1dc881 100644 --- a/mytest/ex7_101.sel +++ b/mytest/ex7_101.sel @@ -1,15 +1,15 @@ Mu SC 0.000000100661 0.0546997340 - 0.007281181403 457.6528671039 - 0.007353854810 464.8755100403 - 0.007424920099 472.0158556850 - 0.007495298386 479.1257570624 - 0.007565005910 486.2026730108 - 0.007838828194 514.1430990221 - 0.008362448891 567.8145417440 - 0.009249822088 659.1875165345 - 0.010261986476 763.8290674560 - 0.010896844038 829.6067882826 - 0.011215116197 862.6070032838 - 0.011361496732 877.7873306480 - 0.011430657827 884.9599119482 + 0.007281181403 457.1968451314 + 0.007353854810 464.2644797558 + 0.007424920099 471.2650337406 + 0.007495298386 478.2472543915 + 0.007565005910 485.2119263338 + 0.007838828194 512.7943848950 + 0.008362448891 565.9486922464 + 0.009249822088 656.6342424142 + 0.010261986476 760.5706965157 + 0.010896844038 825.8971109724 + 0.011215116197 858.6581482234 + 0.011361496732 873.7236883285 + 0.011430657827 880.8406836686 diff --git a/mytest/ex7_T_P.out b/mytest/ex7_T_P.out index 4d092d767..add1ce3ed 100644 --- a/mytest/ex7_T_P.out +++ b/mytest/ex7_T_P.out @@ -153,7 +153,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.453e-03 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99737 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89454 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.281e-03 Mass of water (kg) = 1.000e+00 @@ -274,10 +274,10 @@ Reaction 1. pH = 6.733 Charge balance pe = -4.033 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 741 + Specific Conductance (µS/cm, 50°C) = 740 Density (g/cm³) = 0.99047 Volume (L) = 1.01006 - Viscosity (mPa s) = 0.54959 + Viscosity (mPa s) = 0.55146 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.255e-03 Mass of water (kg) = 1.000e+00 @@ -382,10 +382,10 @@ Reaction 1. pH = 6.631 Charge balance pe = -3.955 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 746 + Specific Conductance (µS/cm, 50°C) = 744 Density (g/cm³) = 0.99046 Volume (L) = 1.01010 - Viscosity (mPa s) = 0.54961 + Viscosity (mPa s) = 0.55187 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.327e-03 Mass of water (kg) = 1.000e+00 @@ -490,10 +490,10 @@ Reaction 1. pH = 6.550 Charge balance pe = -3.885 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 751 + Specific Conductance (µS/cm, 50°C) = 749 Density (g/cm³) = 0.99046 Volume (L) = 1.01013 - Viscosity (mPa s) = 0.54963 + Viscosity (mPa s) = 0.55224 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.397e-03 Mass of water (kg) = 1.000e+00 @@ -598,10 +598,10 @@ Reaction 1. pH = 6.483 Charge balance pe = -3.825 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 755 + Specific Conductance (µS/cm, 50°C) = 753 Density (g/cm³) = 0.99046 Volume (L) = 1.01017 - Viscosity (mPa s) = 0.54965 + Viscosity (mPa s) = 0.55257 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.467e-03 Mass of water (kg) = 1.000e+00 @@ -706,10 +706,10 @@ Reaction 1. pH = 6.298 Charge balance pe = -3.651 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 773 + Specific Conductance (µS/cm, 50°C) = 770 Density (g/cm³) = 0.99044 Volume (L) = 1.01030 - Viscosity (mPa s) = 0.54973 + Viscosity (mPa s) = 0.55370 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.743e-03 Mass of water (kg) = 9.999e-01 @@ -814,10 +814,10 @@ Reaction 1. pH = 6.093 Charge balance pe = -3.454 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 808 + Specific Conductance (µS/cm, 50°C) = 804 Density (g/cm³) = 0.99042 Volume (L) = 1.01058 - Viscosity (mPa s) = 0.54989 + Viscosity (mPa s) = 0.55538 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.290e-03 Mass of water (kg) = 9.999e-01 @@ -922,10 +922,10 @@ Reaction 1. pH = 5.895 Charge balance pe = -3.259 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 879 + Specific Conductance (µS/cm, 50°C) = 873 Density (g/cm³) = 0.99037 Volume (L) = 1.01114 - Viscosity (mPa s) = 0.55020 + Viscosity (mPa s) = 0.55791 Activity of water = 0.999 Ionic strength (mol/kgw) = 9.382e-03 Mass of water (kg) = 9.999e-01 @@ -1030,10 +1030,10 @@ Reaction 1. pH = 5.725 Charge balance pe = -3.091 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 1018 + Specific Conductance (µS/cm, 50°C) = 1010 Density (g/cm³) = 0.99027 Volume (L) = 1.01224 - Viscosity (mPa s) = 0.55081 + Viscosity (mPa s) = 0.56210 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.157e-02 Mass of water (kg) = 9.999e-01 @@ -1152,10 +1152,10 @@ N2(g) -1.40 4.005e-02 1.016 0.000e+00 1.644e-05 1.644e-05 pH = 5.610 Charge balance pe = -2.959 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 1282 + Specific Conductance (µS/cm, 50°C) = 1270 Density (g/cm³) = 0.99047 Volume (L) = 1.01360 - Viscosity (mPa s) = 0.55196 + Viscosity (mPa s) = 0.56925 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.569e-02 Mass of water (kg) = 9.998e-01 @@ -1274,10 +1274,10 @@ N2(g) -0.77 1.703e-01 1.019 0.000e+00 3.336e-04 3.336e-04 pH = 5.546 Charge balance pe = -2.860 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 1781 + Specific Conductance (µS/cm, 50°C) = 1763 Density (g/cm³) = 0.99131 Volume (L) = 1.01510 - Viscosity (mPa s) = 0.55410 + Viscosity (mPa s) = 0.58215 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.354e-02 Mass of water (kg) = 9.997e-01 @@ -1396,10 +1396,10 @@ N2(g) -0.24 5.783e-01 1.024 0.000e+00 3.248e-03 3.248e-03 pH = 5.501 Charge balance pe = -2.780 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 2480 + Specific Conductance (µS/cm, 50°C) = 2455 Density (g/cm³) = 0.99253 Volume (L) = 1.01738 - Viscosity (mPa s) = 0.55710 + Viscosity (mPa s) = 0.60039 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.465e-02 Mass of water (kg) = 9.995e-01 @@ -1518,10 +1518,10 @@ N2(g) 0.04 1.104e+00 1.030 0.000e+00 1.592e-02 1.592e-02 pH = 5.447 Charge balance pe = -2.699 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 3037 + Specific Conductance (µS/cm, 50°C) = 3006 Density (g/cm³) = 0.99369 Volume (L) = 1.02009 - Viscosity (mPa s) = 0.55951 + Viscosity (mPa s) = 0.61611 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.366e-02 Mass of water (kg) = 9.997e-01 diff --git a/mytest/ex7_T_P_101.sel b/mytest/ex7_T_P_101.sel index 690aa4119..ef42d0de7 100644 --- a/mytest/ex7_T_P_101.sel +++ b/mytest/ex7_T_P_101.sel @@ -1,15 +1,15 @@ Mu SC 0.000000100661 0.0546997340 - 0.007281181403 457.6528671039 - 0.007255379547 741.8211065722 - 0.007327049223 746.5767982007 - 0.007397392651 751.1992484798 - 0.007467033253 755.7499825700 - 0.007742636967 773.6426647774 - 0.008289778216 808.9631413156 - 0.009381508358 879.1495245492 - 0.011565141593 1018.8152221739 - 0.015690751695 1282.2854341907 - 0.023538013135 1781.6204237263 - 0.034645383308 2480.0111450222 - 0.043662903932 3037.0627582569 + 0.007281181403 457.1968451314 + 0.007255379547 740.4016078132 + 0.007327049223 744.8630824472 + 0.007397392651 749.2217065451 + 0.007467033253 753.5334202888 + 0.007742636967 770.6439638973 + 0.008289778216 804.8479974677 + 0.009381508358 873.4613632534 + 0.011565141593 1010.7295378207 + 0.015690751695 1270.4812474331 + 0.023538013135 1763.9075780514 + 0.034645383308 2455.1526751710 + 0.043662903932 3006.8080084256 diff --git a/mytest/ex8.out b/mytest/ex8.out index 79c9ec6ca..7b661bf56 100644 --- a/mytest/ex8.out +++ b/mytest/ex8.out @@ -122,7 +122,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-07 @@ -188,7 +187,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.533e-02 -1.000 -1.123 -0.123 29.77 Na 9.981e-02 Na+ 9.981e-02 7.836e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.724e-18 7.904e-18 -17.112 -17.102 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-04 @@ -327,7 +325,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.987e-02 Na+ 9.987e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.730e-21 7.910e-21 -20.112 -20.102 0.010 (0) O(0) 3.858e-06 O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40 Zn 9.967e-08 @@ -440,7 +437,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -9.667e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 - Iterations = 14 + Iterations = 15 Total H = 1.110122e+02 Total O = 5.580611e+01 @@ -465,7 +462,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.990e-02 Na+ 9.990e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09 - NaOH 1.375e-20 1.407e-20 -19.862 -19.852 0.010 (0) O(0) 2.776e-06 O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40 Zn 9.910e-08 @@ -578,7 +574,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -8.214e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 - Iterations = 15 + Iterations = 16 Total H = 1.110123e+02 Total O = 5.580613e+01 @@ -603,7 +599,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.991e-02 Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.445e-20 2.502e-20 -19.612 -19.602 0.010 (0) O(0) 1.998e-06 O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40 Zn 9.759e-08 @@ -716,7 +711,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -6.888e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580615e+01 @@ -741,7 +736,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.993e-02 Na+ 9.993e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.349e-20 4.450e-20 -19.362 -19.352 0.010 (0) O(0) 1.438e-06 O2 7.190e-07 7.357e-07 -6.143 -6.133 0.010 30.40 Zn 9.369e-08 @@ -854,7 +848,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -5.700e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 15 + Iterations = 14 Total H = 1.110123e+02 Total O = 5.580616e+01 @@ -879,7 +873,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.994e-02 Na+ 9.994e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.735e-20 7.915e-20 -19.112 -19.102 0.010 (0) O(0) 1.035e-06 O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40 Zn 8.454e-08 @@ -992,7 +985,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -4.647e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580617e+01 @@ -1017,7 +1010,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.995e-02 Na+ 9.995e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-19 1.408e-19 -18.862 -18.852 0.010 (0) O(0) 7.448e-07 O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010 30.40 Zn 6.679e-08 @@ -1130,7 +1122,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -3.722e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580618e+01 @@ -1155,7 +1147,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.446e-19 2.503e-19 -18.611 -18.601 0.010 (0) O(0) 5.360e-07 O2 2.680e-07 2.742e-07 -6.572 -6.562 0.010 30.40 Zn 4.243e-08 @@ -1268,7 +1259,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.911e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.580619e+01 @@ -1293,7 +1284,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.997e-02 Na+ 9.997e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.351e-19 4.452e-19 -18.361 -18.351 0.010 (0) O(0) 3.858e-07 O2 1.929e-07 1.974e-07 -6.715 -6.705 0.010 30.40 Zn 2.114e-08 @@ -1431,7 +1421,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.738e-19 7.918e-19 -18.111 -18.101 0.010 (0) O(0) 2.776e-07 O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40 Zn 8.811e-09 @@ -1569,7 +1558,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-18 1.408e-18 -17.861 -17.851 0.010 (0) O(0) 1.998e-07 O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40 Zn 3.340e-09 @@ -1707,7 +1695,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.447e-18 2.504e-18 -17.611 -17.601 0.010 (0) O(0) 1.438e-07 O2 7.190e-08 7.357e-08 -7.143 -7.133 0.010 30.40 Zn 1.217e-09 @@ -1845,7 +1832,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.352e-18 4.453e-18 -17.361 -17.351 0.010 (0) O(0) 1.035e-07 O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40 Zn 4.403e-10 @@ -1958,7 +1944,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.787e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580622e+01 @@ -1983,7 +1969,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 7.448e-08 O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40 Zn 1.628e-10 @@ -2096,7 +2081,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.124e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06 - Iterations = 21 + Iterations = 23 Total H = 1.110122e+02 Total O = 5.580609e+01 @@ -2121,7 +2106,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.967e-02 Na+ 9.967e-02 7.825e-02 -1.001 -1.107 -0.105 -1.09 - NaOH 7.714e-21 7.893e-21 -20.113 -20.103 0.010 (0) O(0) 3.857e-06 O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40 Zn 9.969e-05 @@ -2234,7 +2218,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -9.689e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 - Iterations = 23 + Iterations = 21 Total H = 1.110122e+02 Total O = 5.580611e+01 @@ -2250,16 +2234,15 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.278 -43.268 0.010 28.61 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -52.884 -53.012 -0.128 18.15 - NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.42 -N(0) 1.110e-06 - N2 5.552e-07 5.682e-07 -6.256 -6.246 0.010 29.29 + NH3 0.000e+00 0.000e+00 -57.016 -57.006 0.010 24.42 +N(0) 1.111e-06 + N2 5.553e-07 5.683e-07 -6.255 -6.245 0.010 29.29 N(3) 2.843e-13 NO2- 2.843e-13 2.142e-13 -12.546 -12.669 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.970e-02 Na+ 9.970e-02 7.827e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.372e-20 1.404e-20 -19.863 -19.853 0.010 (0) O(0) 2.776e-06 O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40 Zn 9.923e-05 @@ -2372,7 +2355,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -8.259e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 - Iterations = 21 + Iterations = 22 Total H = 1.110123e+02 Total O = 5.580613e+01 @@ -2387,19 +2370,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.206 -43.196 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -53.098 -53.226 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -53.099 -53.227 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.42 -N(0) 7.997e-07 - N2 3.998e-07 4.092e-07 -6.398 -6.388 0.010 29.29 -N(3) 3.352e-13 - NO2- 3.352e-13 2.525e-13 -12.475 -12.598 -0.123 25.24 +N(0) 7.992e-07 + N2 3.996e-07 4.089e-07 -6.398 -6.388 0.010 29.29 +N(3) 3.351e-13 + NO2- 3.351e-13 2.525e-13 -12.475 -12.598 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.972e-02 Na+ 9.972e-02 7.828e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.440e-20 2.497e-20 -19.613 -19.603 0.010 (0) -O(0) 1.997e-06 - O2 9.987e-07 1.022e-06 -6.001 -5.991 0.010 30.40 +O(0) 1.998e-06 + O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40 Zn 9.832e-05 Zn+2 9.830e-05 3.697e-05 -4.007 -4.432 -0.425 -24.68 ZnOH+ 1.636e-08 1.278e-08 -7.786 -7.894 -0.107 (0) @@ -2510,7 +2492,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -6.970e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 22 + Iterations = 23 Total H = 1.110123e+02 Total O = 5.580615e+01 @@ -2535,7 +2517,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.973e-02 Na+ 9.973e-02 7.830e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 4.340e-20 4.441e-20 -19.362 -19.352 0.010 (0) O(0) 1.438e-06 O2 7.189e-07 7.357e-07 -6.143 -6.133 0.010 30.40 Zn 9.698e-05 @@ -2673,7 +2654,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.975e-02 Na+ 9.975e-02 7.831e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.719e-20 7.899e-20 -19.112 -19.102 0.010 (0) O(0) 1.035e-06 O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40 Zn 9.549e-05 @@ -2803,15 +2783,14 @@ H(0) 0.000e+00 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.42 -N(0) 2.979e-07 - N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29 +N(0) 2.980e-07 + N2 1.490e-07 1.525e-07 -6.827 -6.817 0.010 29.29 N(3) 5.489e-13 - NO2- 5.489e-13 4.135e-13 -12.260 -12.383 -0.123 25.24 + NO2- 5.489e-13 4.136e-13 -12.260 -12.383 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.976e-02 Na+ 9.976e-02 7.832e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.373e-19 1.405e-19 -18.862 -18.852 0.010 (0) O(0) 7.447e-07 O2 3.723e-07 3.810e-07 -6.429 -6.419 0.010 30.40 Zn 9.374e-05 @@ -2949,7 +2928,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.978e-02 Na+ 9.978e-02 7.833e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.442e-19 2.499e-19 -18.612 -18.602 0.010 (0) O(0) 5.358e-07 O2 2.679e-07 2.741e-07 -6.572 -6.562 0.010 30.40 Zn 9.075e-05 @@ -3079,15 +3057,14 @@ H(0) 0.000e+00 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -54.169 -54.297 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.801 -56.791 0.010 24.42 -N(0) 1.546e-07 - N2 7.731e-08 7.911e-08 -7.112 -7.102 0.010 29.29 -N(3) 7.630e-13 - NO2- 7.630e-13 5.749e-13 -12.117 -12.240 -0.123 25.24 +N(0) 1.547e-07 + N2 7.733e-08 7.913e-08 -7.112 -7.102 0.010 29.29 +N(3) 7.631e-13 + NO2- 7.631e-13 5.749e-13 -12.117 -12.240 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.980e-02 Na+ 9.980e-02 7.835e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 4.343e-19 4.444e-19 -18.362 -18.352 0.010 (0) O(0) 3.854e-07 O2 1.927e-07 1.972e-07 -6.715 -6.705 0.010 30.40 Zn 8.484e-05 @@ -3225,7 +3202,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.982e-02 Na+ 9.982e-02 7.837e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.725e-19 7.905e-19 -18.112 -18.102 0.010 (0) O(0) 2.776e-07 O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40 Zn 7.503e-05 @@ -3338,7 +3314,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.512e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 25 + Iterations = 23 Total H = 1.110125e+02 Total O = 5.580627e+01 @@ -3353,19 +3329,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -54.598 -54.727 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.42 -N(0) 7.992e-08 - N2 3.996e-08 4.089e-08 -7.398 -7.388 0.010 29.29 +N(0) 7.993e-08 + N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010 29.29 N(3) 1.060e-12 - NO2- 1.060e-12 7.984e-13 -11.975 -12.098 -0.123 25.24 + NO2- 1.060e-12 7.985e-13 -11.975 -12.098 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.985e-02 Na+ 9.985e-02 7.839e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.374e-18 1.406e-18 -17.862 -17.852 0.010 (0) O(0) 1.998e-07 - O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40 + O2 9.989e-08 1.022e-07 -7.000 -6.990 0.010 30.40 Zn 6.248e-05 Zn+2 6.181e-05 2.325e-05 -4.209 -4.634 -0.425 -24.68 ZnOH+ 5.783e-07 4.517e-07 -6.238 -6.345 -0.107 (0) @@ -3476,7 +3451,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.288e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 23 + Iterations = 26 Total H = 1.110126e+02 Total O = 5.580630e+01 @@ -3491,19 +3466,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.635 -42.625 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -54.812 -54.940 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -54.813 -54.941 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.42 -N(0) 5.759e-08 - N2 2.879e-08 2.947e-08 -7.541 -7.531 0.010 29.29 -N(3) 1.250e-12 - NO2- 1.250e-12 9.414e-13 -11.903 -12.026 -0.123 25.24 +N(0) 5.752e-08 + N2 2.876e-08 2.943e-08 -7.541 -7.531 0.010 29.29 +N(3) 1.249e-12 + NO2- 1.249e-12 9.412e-13 -11.903 -12.026 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.988e-02 Na+ 9.988e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.444e-18 2.501e-18 -17.612 -17.602 0.010 (0) -O(0) 1.437e-07 - O2 7.186e-08 7.353e-08 -7.144 -7.134 0.010 30.40 +O(0) 1.438e-07 + O2 7.189e-08 7.357e-08 -7.143 -7.133 0.010 30.40 Zn 4.944e-05 Zn+2 4.841e-05 1.821e-05 -4.315 -4.740 -0.425 -24.68 ZnOH+ 8.055e-07 6.292e-07 -6.094 -6.201 -0.107 (0) @@ -3518,8 +3492,8 @@ Zn 4.944e-05 Fix_H+ -7.50 -7.50 0.00 H+ H2(g) -39.52 -42.62 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - N2(g) -4.35 -7.53 -3.18 N2 - NH3(g) -58.48 -56.68 1.80 NH3 + N2(g) -4.36 -7.53 -3.18 N2 + NH3(g) -58.48 -56.69 1.80 NH3 O2(g) -4.24 -7.13 -2.89 O2 Zn(OH)2(e) -1.24 10.26 11.50 Zn(OH)2 @@ -3602,7 +3576,7 @@ Hfo_w ----------------------------Description of solution---------------------------- pH = 7.750 Charge balance - pe = 11.952 Adjusted to redox equilibrium + pe = 11.951 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9914 Density (g/cm³) = 1.00265 Volume (L) = 1.00583 @@ -3614,7 +3588,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.080e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 25 + Iterations = 23 Total H = 1.110126e+02 Total O = 5.580632e+01 @@ -3629,19 +3603,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.563 -42.553 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -55.027 -55.155 -0.128 18.15 - NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010 24.42 -N(0) 4.139e-08 - N2 2.070e-08 2.118e-08 -7.684 -7.674 0.010 29.29 -N(3) 1.473e-12 - NO2- 1.473e-12 1.109e-12 -11.832 -11.955 -0.123 25.24 + NH4+ 0.000e+00 0.000e+00 -55.025 -55.153 -0.128 18.15 + NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.42 +N(0) 4.165e-08 + N2 2.082e-08 2.131e-08 -7.681 -7.671 0.010 29.29 +N(3) 1.474e-12 + NO2- 1.474e-12 1.111e-12 -11.831 -11.954 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.991e-02 Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.348e-18 4.449e-18 -17.362 -17.352 0.010 (0) -O(0) 1.035e-07 - O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40 +O(0) 1.032e-07 + O2 5.162e-08 5.282e-08 -7.287 -7.277 0.010 30.40 Zn 3.752e-05 Zn+2 3.594e-05 1.352e-05 -4.444 -4.869 -0.425 -24.68 ZnOH+ 1.063e-06 8.307e-07 -5.973 -6.081 -0.107 (0) @@ -3657,7 +3630,7 @@ Zn 3.752e-05 H2(g) -39.45 -42.55 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O N2(g) -4.50 -7.67 -3.18 N2 - NH3(g) -58.45 -56.65 1.80 NH3 + NH3(g) -58.44 -56.65 1.80 NH3 O2(g) -4.38 -7.28 -2.89 O2 Zn(OH)2(e) -0.87 10.63 11.50 Zn(OH)2 @@ -3752,7 +3725,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.854e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 24 + Iterations = 25 Total H = 1.110127e+02 Total O = 5.580635e+01 @@ -3777,9 +3750,8 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.993e-02 Na+ 9.993e-02 7.845e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.734e-18 7.914e-18 -17.112 -17.102 0.010 (0) -O(0) 7.447e-08 - O2 3.724e-08 3.810e-08 -7.429 -7.419 0.010 30.40 +O(0) 7.448e-08 + O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40 Zn 2.762e-05 Zn+2 2.514e-05 9.458e-06 -4.600 -5.024 -0.425 -24.68 ZnOH+ 1.323e-06 1.033e-06 -5.878 -5.986 -0.107 (0) diff --git a/mytest/ex8.pun b/mytest/ex8.pun index 46b80ca66..30a89a248 100644 --- a/mytest/ex8.pun +++ b/mytest/ex8.pun @@ -23,5 +23,5 @@ 23 react 2 -99 0 1 7 12.8088 7.4599e-05 2.0021e-05 4.9534e-06 24 react 2 -99 0 1 7.25 12.5231 6.1808e-05 3.2551e-05 4.9732e-06 25 react 2 -99 0 1 7.5 12.2374 4.8410e-05 4.5580e-05 4.9823e-06 - 26 react 2 -99 0 1 7.75 11.9517 3.5937e-05 5.7490e-05 4.9870e-06 + 26 react 2 -99 0 1 7.75 11.9514 3.5937e-05 5.7490e-05 4.9870e-06 27 react 2 -99 0 1 8 11.666 2.5143e-05 6.7388e-05 4.9897e-06 diff --git a/mytest/ex8_101.sel b/mytest/ex8_101.sel index 60bedbf61..ddeee60c3 100644 --- a/mytest/ex8_101.sel +++ b/mytest/ex8_101.sel @@ -1,29 +1,29 @@ Mu SC - 0.100001415522 9916.2268084875 - 0.100092353027 9913.8288254333 - 0.099942655540 9915.2699852898 - 0.099950841274 9914.3200604790 - 0.099958390144 9914.0032376653 - 0.099965213085 9914.0154465591 - 0.099971288602 9914.1881948597 - 0.099976640683 9914.4297952407 - 0.099981328013 9914.6919981776 - 0.099985436516 9914.9513261900 - 0.099989063022 9915.1991400391 - 0.099992312919 9915.4366816366 - 0.099995314096 9915.6731580744 - 0.099998231407 9915.9263297163 - 0.100001285616 9916.2257915526 - 0.100042191691 9912.8457297090 - 0.100049852583 9911.9054580173 - 0.100056360680 9911.6031976475 - 0.100061650587 9911.6349407951 - 0.100066025965 9911.8289809774 - 0.100069391481 9912.0959265338 - 0.100070673554 9912.4024290220 - 0.100068066509 9912.7494701520 - 0.100060487709 9913.1417098544 - 0.100049314375 9913.5608289586 - 0.100037191206 9913.9853157571 - 0.100026051937 9914.4134371830 - 0.100016939867 9914.8628741578 + 0.100001415522 9916.2267315774 + 0.100092353027 9913.8287488182 + 0.099942655540 9915.2699834428 + 0.099950841274 9914.3200603409 + 0.099958390144 9914.0032374196 + 0.099965213085 9914.0154461222 + 0.099971288602 9914.1881940828 + 0.099976640683 9914.4297938598 + 0.099981328013 9914.6919957240 + 0.099985436516 9914.9513218298 + 0.099989063022 9915.1991322918 + 0.099992312919 9915.4366678769 + 0.099995314096 9915.6731336432 + 0.099998231407 9915.9262863572 + 0.100001285616 9916.2257146423 + 0.100042191628 9912.8457239028 + 0.100049852720 9911.9054703132 + 0.100056360344 9911.6031668609 + 0.100061650586 9911.6349402773 + 0.100066025968 9911.8289805268 + 0.100069391499 9912.0959267862 + 0.100070673564 9912.4024274498 + 0.100068066531 9912.7494678286 + 0.100060487709 9913.1417021124 + 0.100049314385 9913.5608164756 + 0.100037191158 9913.9852870347 + 0.100026052096 9914.4134083206 + 0.100016939865 9914.8627971297 diff --git a/mytest/ex8_tail_biter.out b/mytest/ex8_tail_biter.out index c8521deaf..1bd08baa1 100644 --- a/mytest/ex8_tail_biter.out +++ b/mytest/ex8_tail_biter.out @@ -131,7 +131,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-07 @@ -225,7 +224,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.533e-02 -1.000 -1.123 -0.123 29.77 Na 9.981e-02 Na+ 9.981e-02 7.836e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.724e-18 7.904e-18 -17.112 -17.102 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-04 @@ -392,7 +390,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.987e-02 Na+ 9.987e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.730e-21 7.910e-21 -20.112 -20.102 0.010 (0) O(0) 3.858e-06 O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40 Zn 9.967e-08 @@ -505,7 +502,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -9.667e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 - Iterations = 14 + Iterations = 15 Total H = 1.110122e+02 Total O = 5.580611e+01 @@ -530,7 +527,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.990e-02 Na+ 9.990e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09 - NaOH 1.375e-20 1.407e-20 -19.862 -19.852 0.010 (0) O(0) 2.776e-06 O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40 Zn 9.910e-08 @@ -643,7 +639,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -8.214e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 - Iterations = 15 + Iterations = 16 Total H = 1.110123e+02 Total O = 5.580613e+01 @@ -668,7 +664,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.991e-02 Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.445e-20 2.502e-20 -19.612 -19.602 0.010 (0) O(0) 1.998e-06 O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40 Zn 9.759e-08 @@ -781,7 +776,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -6.888e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580615e+01 @@ -806,7 +801,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.993e-02 Na+ 9.993e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.349e-20 4.450e-20 -19.362 -19.352 0.010 (0) O(0) 1.438e-06 O2 7.190e-07 7.357e-07 -6.143 -6.133 0.010 30.40 Zn 9.369e-08 @@ -919,7 +913,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -5.700e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 15 + Iterations = 14 Total H = 1.110123e+02 Total O = 5.580616e+01 @@ -944,7 +938,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.994e-02 Na+ 9.994e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.735e-20 7.915e-20 -19.112 -19.102 0.010 (0) O(0) 1.035e-06 O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40 Zn 8.454e-08 @@ -1057,7 +1050,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -4.647e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580617e+01 @@ -1082,7 +1075,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.995e-02 Na+ 9.995e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-19 1.408e-19 -18.862 -18.852 0.010 (0) O(0) 7.448e-07 O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010 30.40 Zn 6.679e-08 @@ -1195,7 +1187,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -3.722e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580618e+01 @@ -1220,7 +1212,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.446e-19 2.503e-19 -18.611 -18.601 0.010 (0) O(0) 5.360e-07 O2 2.680e-07 2.742e-07 -6.572 -6.562 0.010 30.40 Zn 4.243e-08 @@ -1333,7 +1324,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.911e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.580619e+01 @@ -1358,7 +1349,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.997e-02 Na+ 9.997e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.351e-19 4.452e-19 -18.361 -18.351 0.010 (0) O(0) 3.858e-07 O2 1.929e-07 1.974e-07 -6.715 -6.705 0.010 30.40 Zn 2.114e-08 @@ -1496,7 +1486,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.738e-19 7.918e-19 -18.111 -18.101 0.010 (0) O(0) 2.776e-07 O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40 Zn 8.811e-09 @@ -1634,7 +1623,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-18 1.408e-18 -17.861 -17.851 0.010 (0) O(0) 1.998e-07 O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40 Zn 3.340e-09 @@ -1772,7 +1760,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.447e-18 2.504e-18 -17.611 -17.601 0.010 (0) O(0) 1.438e-07 O2 7.190e-08 7.357e-08 -7.143 -7.133 0.010 30.40 Zn 1.217e-09 @@ -1910,7 +1897,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.352e-18 4.453e-18 -17.361 -17.351 0.010 (0) O(0) 1.035e-07 O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40 Zn 4.403e-10 @@ -2023,7 +2009,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.787e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580622e+01 @@ -2048,7 +2034,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 7.448e-08 O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40 Zn 1.628e-10 diff --git a/mytest/ex8_tail_biter_101.sel b/mytest/ex8_tail_biter_101.sel index 5e91540b2..8755a06ca 100644 --- a/mytest/ex8_tail_biter_101.sel +++ b/mytest/ex8_tail_biter_101.sel @@ -1,16 +1,16 @@ Mu SC - 0.100001415522 9916.2268084875 - 0.100092353027 9913.8288254333 - 0.099942655540 9915.2699852898 - 0.099950841274 9914.3200604790 - 0.099958390144 9914.0032376653 - 0.099965213085 9914.0154465591 - 0.099971288602 9914.1881948597 - 0.099976640683 9914.4297952407 - 0.099981328013 9914.6919981776 - 0.099985436516 9914.9513261900 - 0.099989063022 9915.1991400391 - 0.099992312919 9915.4366816366 - 0.099995314096 9915.6731580744 - 0.099998231407 9915.9263297163 - 0.100001285616 9916.2257915526 + 0.100001415522 9916.2267315774 + 0.100092353027 9913.8287488182 + 0.099942655540 9915.2699834428 + 0.099950841274 9914.3200603409 + 0.099958390144 9914.0032374196 + 0.099965213085 9914.0154461222 + 0.099971288602 9914.1881940828 + 0.099976640683 9914.4297938598 + 0.099981328013 9914.6919957240 + 0.099985436516 9914.9513218298 + 0.099989063022 9915.1991322918 + 0.099992312919 9915.4366678769 + 0.099995314096 9915.6731336432 + 0.099998231407 9915.9262863572 + 0.100001285616 9916.2257146423 diff --git a/mytest/ex9.cvode.out b/mytest/ex9.cvode.out index e6d89e5c9..3f9cb7467 100644 --- a/mytest/ex9.cvode.out +++ b/mytest/ex9.cvode.out @@ -214,7 +214,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 9.106e-20 9.128e-20 -19.041 -19.040 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -278,7 +277,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.639e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.286e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.231e-15 + Electrical balance (eq) = -3.221e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 337 (716 overall) Total H = 1.110124e+02 @@ -318,7 +317,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.021e-20 1.024e-20 -19.991 -19.990 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -379,7 +377,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.872e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.035e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.237e-15 + Electrical balance (eq) = -3.218e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 53 (121 overall) Total H = 1.110124e+02 @@ -419,7 +417,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.859e-21 5.873e-21 -20.232 -20.231 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -480,7 +477,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.063e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.660e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.249e-15 + Electrical balance (eq) = -3.221e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 69 (151 overall) Total H = 1.110124e+02 @@ -520,7 +517,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 3.038e-21 3.045e-21 -20.517 -20.516 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -581,7 +577,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.942e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.636e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.246e-15 + Electrical balance (eq) = 3.257e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 53 (123 overall) Total H = 1.110124e+02 @@ -621,7 +617,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.923e-21 1.927e-21 -20.716 -20.715 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -682,7 +677,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.745e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.534e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.256e-15 + Electrical balance (eq) = 3.267e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 42 (100 overall) Total H = 1.110124e+02 @@ -722,7 +717,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.426e-21 1.430e-21 -20.846 -20.845 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -783,7 +777,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.072e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.962e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.254e-15 + Electrical balance (eq) = 3.281e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 40 (98 overall) Total H = 1.110124e+02 @@ -823,7 +817,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.076e-21 1.078e-21 -20.968 -20.967 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -884,7 +877,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.219e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.245e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.256e-15 + Electrical balance (eq) = 3.274e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 38 (86 overall) Total H = 1.110124e+02 @@ -924,7 +917,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 8.623e-22 8.643e-22 -21.064 -21.063 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -985,7 +977,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.799e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.557e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.259e-15 + Electrical balance (eq) = 3.282e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 38 (86 overall) Total H = 1.110124e+02 @@ -1025,7 +1017,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 6.929e-22 6.946e-22 -21.159 -21.158 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1086,7 +1077,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.431e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.774e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.876e-14 + Electrical balance (eq) = 4.878e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 26 (58 overall) Total H = 1.110124e+02 @@ -1126,7 +1117,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 6.107e-22 6.122e-22 -21.214 -21.213 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1187,7 +1177,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.299e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.946e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.175e-14 + Electrical balance (eq) = 5.178e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 (46 overall) Total H = 1.110124e+02 @@ -1227,7 +1217,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.589e-22 5.602e-22 -21.253 -21.252 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1288,7 +1277,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.617e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.091e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.217e-14 + Electrical balance (eq) = 5.219e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 (46 overall) Total H = 1.110124e+02 @@ -1328,7 +1317,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.220e-22 5.232e-22 -21.282 -21.281 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 diff --git a/mytest/ex9.cvode_101.sel b/mytest/ex9.cvode_101.sel index a52feb7f0..103cad2ad 100644 --- a/mytest/ex9.cvode_101.sel +++ b/mytest/ex9.cvode_101.sel @@ -1,13 +1,13 @@ Mu SC - 0.010297823284 1190.9751141129 - 0.010296887863 1191.2554937566 - 0.010296163761 1191.5047973616 - 0.010294597824 1192.0493157106 - 0.010292715191 1192.7061327419 - 0.010290932027 1193.3289644024 - 0.010288684311 1194.1146127156 - 0.010286420336 1194.9064278315 - 0.010283633275 1195.8817939013 - 0.010281725318 1196.5498848989 - 0.010280233600 1197.0724424047 - 0.010278990847 1197.5079348403 + 0.010297823284 1190.9751131418 + 0.010296887864 1191.2554934263 + 0.010296163762 1191.5047972177 + 0.010294597824 1192.0493156538 + 0.010292715191 1192.7061327120 + 0.010290932028 1193.3289643816 + 0.010288684311 1194.1146127009 + 0.010286420336 1194.9064278199 + 0.010283633275 1195.8817939004 + 0.010281725318 1196.5498848988 + 0.010280233600 1197.0724424074 + 0.010278990847 1197.5079348437 diff --git a/mytest/ex9.pun b/mytest/ex9.pun index ec6f1fab1..8b6fc83f1 100644 --- a/mytest/ex9.pun +++ b/mytest/ex9.pun @@ -2,7 +2,7 @@ 1 i_soln 0 -99 -99 -99 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 i_soln 1 -99 -99 -99 6.9969 8 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 i_exch 1 -99 -99 -99 6.9969 8 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 1 1 6.99662 9.64182 5.2815e-04 1.2000e-03 4.5842e-04 1.0672e-04 + 1 advect 1 1 1 1 6.99662 9.65302 5.2815e-04 1.2000e-03 4.5842e-04 1.0672e-04 1 advect 2 2 1 1 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 3 3 1 1 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 4 4 1 1 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -42,8 +42,8 @@ 1 advect 38 38 1 1 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 1 1 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 1 1 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 2 2 6.99516 9.71561 2.0815e-05 1.2000e-03 8.4352e-05 5.4742e-04 - 1 advect 2 2 2 2 6.99698 10.0999 8.1423e-04 1.2000e-03 3.8507e-04 3.5474e-07 + 1 advect 1 1 2 2 6.99516 10.1783 2.0815e-05 1.2000e-03 8.4352e-05 5.4742e-04 + 1 advect 2 2 2 2 6.99698 10.1079 8.1423e-04 1.2000e-03 3.8507e-04 3.5474e-07 1 advect 3 3 2 2 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 4 4 2 2 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 5 5 2 2 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -82,9 +82,9 @@ 1 advect 38 38 2 2 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 2 2 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 2 2 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 3 3 6.99501 10.2909 3.8128e-07 1.2000e-03 7.2331e-06 5.9619e-04 - 1 advect 2 2 3 3 6.99645 10.9112 2.7501e-04 1.2000e-03 6.0783e-04 1.5858e-04 - 1 advect 3 3 3 3 6.99699 -1.49824 9.2370e-04 1.2000e-03 2.7629e-04 5.4461e-10 + 1 advect 1 1 3 3 6.99501 10.0618 3.8128e-07 1.2000e-03 7.2331e-06 5.9619e-04 + 1 advect 2 2 3 3 6.99645 10.9244 2.7501e-04 1.2000e-03 6.0783e-04 1.5858e-04 + 1 advect 3 3 3 3 6.99699 -1.49817 9.2370e-04 1.2000e-03 2.7629e-04 5.4461e-10 1 advect 4 4 3 3 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 5 5 3 3 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 6 6 3 3 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -122,8 +122,8 @@ 1 advect 38 38 3 3 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 3 3 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 3 3 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 4 4 6.995 9.9161 6.7161e-09 1.2000e-03 5.9651e-07 5.9970e-04 - 1 advect 2 2 4 4 6.99517 9.80238 9.2826e-06 1.2000e-03 9.8540e-05 5.4609e-04 + 1 advect 1 1 4 4 6.995 10.4144 6.7161e-09 1.2000e-03 5.9651e-07 5.9970e-04 + 1 advect 2 2 4 4 6.99517 9.80791 9.2826e-06 1.2000e-03 9.8540e-05 5.4609e-04 1 advect 3 3 4 4 6.99698 10.9107 5.8820e-04 1.2000e-03 6.0943e-04 1.1858e-06 1 advect 4 4 4 4 6.99699 -1.49784 9.7016e-04 1.2000e-03 2.2984e-04 7.0581e-13 1 advect 5 5 4 4 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -162,11 +162,11 @@ 1 advect 38 38 4 4 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 4 4 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 4 4 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 5 5 6.995 9.78583 1.1799e-10 1.2000e-03 4.9064e-08 5.9998e-04 - 1 advect 2 2 5 5 6.99501 -1.4959 1.7675e-07 1.2000e-03 9.0025e-06 5.9541e-04 - 1 advect 3 3 5 5 6.99629 -1.49715 1.3210e-04 1.2000e-03 6.5974e-04 2.0408e-04 + 1 advect 1 1 5 5 6.995 10.134 1.1799e-10 1.2000e-03 4.9064e-08 5.9998e-04 + 1 advect 2 2 5 5 6.99501 -1.49589 1.7675e-07 1.2000e-03 9.0025e-06 5.9541e-04 + 1 advect 3 3 5 5 6.99629 -1.49714 1.3210e-04 1.2000e-03 6.5974e-04 2.0408e-04 1 advect 4 4 5 5 6.99699 10.9107 7.8795e-04 1.2000e-03 4.1205e-04 2.7882e-09 - 1 advect 5 5 5 5 6.99699 -1.49784 9.8858e-04 1.2000e-03 2.1142e-04 8.5220e-16 + 1 advect 5 5 5 5 6.99699 -1.49785 9.8858e-04 1.2000e-03 2.1142e-04 8.5220e-16 1 advect 6 6 5 5 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 7 7 5 5 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 8 8 5 5 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -202,12 +202,12 @@ 1 advect 38 38 5 5 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 5 5 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 5 5 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 6 6 6.99499 0.889106 2.0724e-12 1.2000e-03 4.0348e-09 6.0000e-04 - 1 advect 2 2 6 6 6.995 9.78813 3.2312e-09 1.2000e-03 7.8789e-07 5.9960e-04 - 1 advect 3 3 6 6 6.99516 -1.64656 3.9632e-06 1.2000e-03 9.6616e-05 5.4971e-04 - 1 advect 4 4 6 6 6.99698 -1.49783 3.7669e-04 1.2000e-03 8.1746e-04 2.9206e-06 + 1 advect 1 1 6 6 6.99499 10.2873 2.0724e-12 1.2000e-03 4.0348e-09 6.0000e-04 + 1 advect 2 2 6 6 6.995 9.69382 3.2312e-09 1.2000e-03 7.8789e-07 5.9960e-04 + 1 advect 3 3 6 6 6.99516 -1.64655 3.9632e-06 1.2000e-03 9.6616e-05 5.4971e-04 + 1 advect 4 4 6 6 6.99698 -1.49781 3.7669e-04 1.2000e-03 8.1746e-04 2.9206e-06 1 advect 5 5 6 6 6.99699 10.9107 9.0325e-04 1.2000e-03 2.9675e-04 4.5851e-12 - 1 advect 6 6 6 6 6.99699 -1.49784 9.9567e-04 1.2000e-03 2.0433e-04 1.0006e-18 + 1 advect 6 6 6 6 6.99699 -1.49785 9.9567e-04 1.2000e-03 2.0433e-04 1.0006e-18 1 advect 7 7 6 6 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 8 8 6 6 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 9 9 6 6 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -242,13 +242,13 @@ 1 advect 38 38 6 6 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 6 6 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 6 6 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 7 7 6.99499 10.289 3.6399e-14 1.2000e-03 3.3180e-10 6.0000e-04 - 1 advect 2 2 7 7 6.995 -1.49588 5.8805e-11 1.2000e-03 6.8513e-08 5.9997e-04 + 1 advect 1 1 7 7 6.99499 10.2821 3.6399e-14 1.2000e-03 3.3180e-10 6.0000e-04 + 1 advect 2 2 7 7 6.995 -1.49587 5.8805e-11 1.2000e-03 6.8513e-08 5.9997e-04 1 advect 3 3 7 7 6.99501 -1.49589 7.5593e-08 1.2000e-03 8.9868e-06 5.9547e-04 - 1 advect 4 4 7 7 6.99615 -1.64754 6.0881e-05 1.2000e-03 6.4665e-04 2.4623e-04 - 1 advect 5 5 7 7 6.99699 -1.49784 6.0683e-04 1.2000e-03 5.9315e-04 1.0869e-08 + 1 advect 4 4 7 7 6.99615 -1.64753 6.0881e-05 1.2000e-03 6.4665e-04 2.4623e-04 + 1 advect 5 5 7 7 6.99699 -1.49783 6.0683e-04 1.2000e-03 5.9315e-04 1.0869e-08 1 advect 6 6 7 7 6.99699 10.9107 9.5887e-04 1.2000e-03 2.4113e-04 6.1996e-15 - 1 advect 7 7 7 7 6.99699 -1.49784 9.9836e-04 1.2000e-03 2.0164e-04 1.1623e-21 + 1 advect 7 7 7 7 6.99699 -1.49785 9.9836e-04 1.2000e-03 2.0164e-04 1.1623e-21 1 advect 8 8 7 7 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 9 9 7 7 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 10 10 7 7 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -282,14 +282,14 @@ 1 advect 38 38 7 7 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 7 7 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 7 7 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 8 8 6.99499 10.2203 6.3931e-16 1.2000e-03 2.7285e-11 6.0000e-04 - 1 advect 2 2 8 8 6.995 9.79608 1.0686e-12 1.2000e-03 5.9387e-09 6.0000e-04 - 1 advect 3 3 8 8 6.995 -1.49588 1.3900e-09 1.2000e-03 8.0441e-07 5.9960e-04 + 1 advect 1 1 8 8 6.99499 10.2835 6.3931e-16 1.2000e-03 2.7285e-11 6.0000e-04 + 1 advect 2 2 8 8 6.995 9.83835 1.0686e-12 1.2000e-03 5.9387e-09 6.0000e-04 + 1 advect 3 3 8 8 6.995 -1.49587 1.3900e-09 1.2000e-03 8.0441e-07 5.9960e-04 1 advect 4 4 8 8 6.99514 -1.64654 1.6740e-06 1.2000e-03 8.7596e-05 5.5536e-04 1 advect 5 5 8 8 6.99697 -1.64834 2.1980e-04 1.2000e-03 9.6858e-04 5.8075e-06 - 1 advect 6 6 8 8 6.99699 -1.64836 7.8891e-04 1.2000e-03 4.1109e-04 2.5379e-11 + 1 advect 6 6 8 8 6.99699 -1.64835 7.8891e-04 1.2000e-03 4.1109e-04 2.5379e-11 1 advect 7 7 8 8 6.99699 10.9107 9.8312e-04 1.2000e-03 2.1688e-04 7.6475e-18 - 1 advect 8 8 8 8 6.99699 -1.49784 9.9938e-04 1.2000e-03 2.0062e-04 1.3447e-24 + 1 advect 8 8 8 8 6.99699 -1.49785 9.9938e-04 1.2000e-03 2.0062e-04 1.3447e-24 1 advect 9 9 8 8 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 10 10 8 8 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 11 11 8 8 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -322,15 +322,15 @@ 1 advect 38 38 8 8 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 8 8 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 8 8 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 9 9 6.99499 10.2799 1.1229e-17 1.2000e-03 2.2437e-12 6.0000e-04 - 1 advect 2 2 9 9 6.99499 9.67812 1.9398e-14 1.2000e-03 5.1341e-10 6.0000e-04 - 1 advect 3 3 9 9 6.995 -1.49588 2.5472e-11 1.2000e-03 7.1620e-08 5.9996e-04 - 1 advect 4 4 9 9 6.99501 -1.64641 3.1810e-08 1.2000e-03 8.1956e-06 5.9589e-04 - 1 advect 5 5 9 9 6.99602 -1.64741 2.7554e-05 1.2000e-03 5.9936e-04 2.8654e-04 + 1 advect 1 1 9 9 6.99499 10.3845 1.1229e-17 1.2000e-03 2.2437e-12 6.0000e-04 + 1 advect 2 2 9 9 6.99499 9.73273 1.9398e-14 1.2000e-03 5.1341e-10 6.0000e-04 + 1 advect 3 3 9 9 6.995 -1.49586 2.5472e-11 1.2000e-03 7.1620e-08 5.9996e-04 + 1 advect 4 4 9 9 6.99501 -1.6464 3.1810e-08 1.2000e-03 8.1956e-06 5.9589e-04 + 1 advect 5 5 9 9 6.99602 -1.6474 2.7554e-05 1.2000e-03 5.9936e-04 2.8654e-04 1 advect 6 6 9 9 6.99699 -1.7364 4.1909e-04 1.2000e-03 7.8085e-04 3.1969e-08 - 1 advect 7 7 9 9 6.99699 -1.64836 8.9973e-04 1.2000e-03 3.0027e-04 4.2227e-14 + 1 advect 7 7 9 9 6.99699 -1.64835 8.9973e-04 1.2000e-03 3.0027e-04 4.2227e-14 1 advect 8 8 9 9 6.99699 10.9107 9.9319e-04 1.2000e-03 2.0681e-04 9.0693e-21 - 1 advect 9 9 9 9 6.99699 -1.49784 9.9977e-04 1.2000e-03 2.0023e-04 1.5534e-27 + 1 advect 9 9 9 9 6.99699 -1.49785 9.9977e-04 1.2000e-03 2.0023e-04 1.5534e-27 1 advect 10 10 9 9 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 11 11 9 9 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 12 12 9 9 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -362,16 +362,16 @@ 1 advect 38 38 9 9 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 9 9 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 9 9 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 10 10 6.99499 9.76838 1.9722e-19 1.2000e-03 1.8451e-13 6.0000e-04 - 1 advect 2 2 10 10 6.99499 9.83329 3.5173e-16 1.2000e-03 4.4278e-11 6.0000e-04 - 1 advect 3 3 10 10 6.995 0.598099 4.6645e-13 1.2000e-03 6.3609e-09 6.0000e-04 - 1 advect 4 4 10 10 6.995 -1.49588 5.8547e-10 1.2000e-03 7.4176e-07 5.9963e-04 - 1 advect 5 5 10 10 6.99512 -1.64652 7.0666e-07 1.2000e-03 7.6156e-05 5.6157e-04 - 1 advect 6 6 10 10 6.99695 -1.64833 1.2091e-04 1.2000e-03 1.0589e-03 1.0108e-05 + 1 advect 1 1 10 10 6.99499 9.29229 1.9722e-19 1.2000e-03 1.8451e-13 6.0000e-04 + 1 advect 2 2 10 10 6.99499 9.92869 3.5173e-16 1.2000e-03 4.4278e-11 6.0000e-04 + 1 advect 3 3 10 10 6.995 9.78555 4.6645e-13 1.2000e-03 6.3609e-09 6.0000e-04 + 1 advect 4 4 10 10 6.995 -1.49586 5.8547e-10 1.2000e-03 7.4176e-07 5.9963e-04 + 1 advect 5 5 10 10 6.99512 -1.6465 7.0666e-07 1.2000e-03 7.6156e-05 5.6157e-04 + 1 advect 6 6 10 10 6.99695 -1.64832 1.2091e-04 1.2000e-03 1.0589e-03 1.0108e-05 1 advect 7 7 10 10 6.99699 -1.79887 6.3125e-04 1.2000e-03 5.6875e-04 1.1139e-10 - 1 advect 8 8 10 10 6.99699 -1.64836 9.5573e-04 1.2000e-03 2.4427e-04 5.7758e-17 + 1 advect 8 8 10 10 6.99699 -1.64835 9.5573e-04 1.2000e-03 2.4427e-04 5.7758e-17 1 advect 9 9 10 10 6.99699 10.9107 9.9727e-04 1.2000e-03 2.0273e-04 1.0583e-23 - 1 advect 10 10 10 10 6.99699 -1.49784 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 + 1 advect 10 10 10 10 6.99699 -1.49785 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 1 advect 11 11 10 10 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 12 12 10 10 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 13 13 10 10 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -402,17 +402,17 @@ 1 advect 38 38 10 10 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 10 10 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 10 10 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 11 11 6.99499 10.2335 3.4640e-21 1.2000e-03 1.5173e-14 6.0000e-04 - 1 advect 2 2 11 11 6.99499 9.73785 6.3716e-18 1.2000e-03 3.8105e-12 6.0000e-04 - 1 advect 3 3 11 11 6.99499 9.70096 8.5383e-15 1.2000e-03 5.6372e-10 6.0000e-04 + 1 advect 1 1 11 11 6.99499 0.738533 3.4640e-21 1.2000e-03 1.5173e-14 6.0000e-04 + 1 advect 2 2 11 11 6.99499 9.76391 6.3716e-18 1.2000e-03 3.8105e-12 6.0000e-04 + 1 advect 3 3 11 11 6.99499 9.6978 8.5383e-15 1.2000e-03 5.6372e-10 6.0000e-04 1 advect 4 4 11 11 6.995 -1.49588 1.0744e-11 1.2000e-03 6.6852e-08 5.9997e-04 - 1 advect 5 5 11 11 6.99501 -1.64641 1.3363e-08 1.2000e-03 7.1317e-06 5.9643e-04 - 1 advect 6 6 11 11 6.99589 -1.49676 1.2345e-05 1.2000e-03 5.3645e-04 3.2560e-04 - 1 advect 7 7 11 11 6.99699 -1.64836 2.6304e-04 1.2000e-03 9.3681e-04 7.3991e-08 + 1 advect 5 5 11 11 6.99501 -1.6464 1.3363e-08 1.2000e-03 7.1317e-06 5.9643e-04 + 1 advect 6 6 11 11 6.99589 -1.49674 1.2345e-05 1.2000e-03 5.3645e-04 3.2560e-04 + 1 advect 7 7 11 11 6.99699 -1.64835 2.6304e-04 1.2000e-03 9.3681e-04 7.3991e-08 1 advect 8 8 11 11 6.99699 -1.79887 7.9986e-04 1.2000e-03 4.0014e-04 2.5213e-13 - 1 advect 9 9 11 11 6.99699 -1.64836 9.8118e-04 1.2000e-03 2.1882e-04 7.1782e-20 + 1 advect 9 9 11 11 6.99699 -1.64835 9.8118e-04 1.2000e-03 2.1882e-04 7.1782e-20 1 advect 10 10 11 11 6.99699 10.9107 9.9892e-04 1.2000e-03 2.0108e-04 1.2266e-26 - 1 advect 11 11 11 11 6.99699 -1.49784 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 + 1 advect 11 11 11 11 6.99699 -1.49785 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 1 advect 12 12 11 11 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 13 13 11 11 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 14 14 11 11 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -442,18 +442,18 @@ 1 advect 38 38 11 11 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 11 11 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 11 11 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 12 12 6.99499 10.2728 6.0841e-23 1.2000e-03 1.2477e-15 6.0000e-04 - 1 advect 2 2 12 12 6.99499 9.77065 1.1531e-19 1.2000e-03 3.2728e-13 6.0000e-04 - 1 advect 3 3 12 12 6.99499 9.77417 1.5623e-16 1.2000e-03 4.9854e-11 6.0000e-04 - 1 advect 4 4 12 12 6.995 9.80818 1.9711e-13 1.2000e-03 6.0150e-09 6.0000e-04 - 1 advect 5 5 12 12 6.995 -1.6464 2.4589e-10 1.2000e-03 6.4939e-07 5.9968e-04 - 1 advect 6 6 12 12 6.9951 -1.6465 2.9870e-07 1.2000e-03 6.4537e-05 5.6758e-04 - 1 advect 7 7 12 12 6.99693 -1.49779 6.4326e-05 1.2000e-03 1.1030e-03 1.6357e-05 + 1 advect 1 1 12 12 6.99499 10.2779 6.0841e-23 1.2000e-03 1.2477e-15 6.0000e-04 + 1 advect 2 2 12 12 6.99499 1.206 1.1531e-19 1.2000e-03 3.2728e-13 6.0000e-04 + 1 advect 3 3 12 12 6.99499 9.68572 1.5623e-16 1.2000e-03 4.9854e-11 6.0000e-04 + 1 advect 4 4 12 12 6.995 9.76464 1.9711e-13 1.2000e-03 6.0150e-09 6.0000e-04 + 1 advect 5 5 12 12 6.995 -1.64639 2.4589e-10 1.2000e-03 6.4939e-07 5.9968e-04 + 1 advect 6 6 12 12 6.9951 -1.64649 2.9870e-07 1.2000e-03 6.4537e-05 5.6758e-04 + 1 advect 7 7 12 12 6.99693 -1.64829 6.4326e-05 1.2000e-03 1.1030e-03 1.6357e-05 1 advect 8 8 12 12 6.99699 -1.7364 4.5660e-04 1.2000e-03 7.4339e-04 3.7175e-10 - 1 advect 9 9 12 12 6.99699 -1.79888 9.0344e-04 1.2000e-03 2.9656e-04 4.1434e-16 - 1 advect 10 10 12 12 6.99699 -1.64836 9.9215e-04 1.2000e-03 2.0785e-04 8.5477e-23 + 1 advect 9 9 12 12 6.99699 -1.79887 9.0344e-04 1.2000e-03 2.9656e-04 4.1434e-16 + 1 advect 10 10 12 12 6.99699 -1.64835 9.9215e-04 1.2000e-03 2.0785e-04 8.5477e-23 1 advect 11 11 12 12 6.99699 10.9107 9.9957e-04 1.2000e-03 2.0043e-04 0.0000e+00 - 1 advect 12 12 12 12 6.99699 -1.49784 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 12 12 12 12 6.99699 -1.49785 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 1 advect 13 13 12 12 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 14 14 12 12 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 15 15 12 12 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -482,19 +482,19 @@ 1 advect 38 38 12 12 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 12 12 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 12 12 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 13 13 6.99499 10.3892 1.0686e-24 1.2000e-03 1.0260e-16 6.0000e-04 - 1 advect 2 2 13 13 6.99499 9.92282 2.0908e-21 1.2000e-03 2.8058e-14 6.0000e-04 - 1 advect 3 3 13 13 6.99499 10.444 2.8575e-18 1.2000e-03 4.4000e-12 6.0000e-04 - 1 advect 4 4 13 13 6.99499 9.76206 3.6154e-15 1.2000e-03 5.4039e-10 6.0000e-04 - 1 advect 5 5 13 13 6.995 -1.49587 4.5135e-12 1.2000e-03 5.8935e-08 5.9997e-04 + 1 advect 1 1 13 13 6.99499 0.895327 1.0686e-24 1.2000e-03 1.0260e-16 6.0000e-04 + 1 advect 2 2 13 13 6.99499 9.95141 2.0908e-21 1.2000e-03 2.8058e-14 6.0000e-04 + 1 advect 3 3 13 13 6.99499 9.92624 2.8574e-18 1.2000e-03 4.4000e-12 6.0000e-04 + 1 advect 4 4 13 13 6.99499 9.62488 3.6154e-15 1.2000e-03 5.4039e-10 6.0000e-04 + 1 advect 5 5 13 13 6.995 -1.49586 4.5135e-12 1.2000e-03 5.8935e-08 5.9997e-04 1 advect 6 6 13 13 6.995 -1.73445 5.6209e-09 1.2000e-03 6.0367e-06 5.9698e-04 1 advect 7 7 13 13 6.99576 -1.64715 5.4829e-06 1.2000e-03 4.6802e-04 3.6325e-04 - 1 advect 8 8 13 13 6.99698 -1.49784 1.5394e-04 1.2000e-03 1.0458e-03 1.4506e-07 + 1 advect 8 8 13 13 6.99698 -1.64834 1.5394e-04 1.2000e-03 1.0458e-03 1.4506e-07 1 advect 9 9 13 13 6.99699 -1.7364 6.5797e-04 1.2000e-03 5.4203e-04 1.2167e-12 1 advect 10 10 13 13 6.99699 -1.79887 9.5659e-04 1.2000e-03 2.4341e-04 5.6495e-19 - 1 advect 11 11 13 13 6.99699 -1.64836 9.9676e-04 1.2000e-03 2.0324e-04 9.9930e-26 + 1 advect 11 11 13 13 6.99699 -1.64835 9.9676e-04 1.2000e-03 2.0324e-04 9.9930e-26 1 advect 12 12 13 13 6.99699 10.9107 9.9983e-04 1.2000e-03 2.0017e-04 0.0000e+00 - 1 advect 13 13 13 13 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 13 13 13 13 6.99699 -1.49785 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 14 14 13 13 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 15 15 13 13 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 16 16 13 13 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -522,20 +522,20 @@ 1 advect 38 38 13 13 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 13 13 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 13 13 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 14 14 6.99499 0.794734 0.0000e+00 1.2000e-03 8.4376e-18 6.0000e-04 - 1 advect 2 2 14 14 6.99499 10.0538 3.7859e-23 1.2000e-03 2.4015e-15 6.0000e-04 - 1 advect 3 3 14 14 6.99499 0.512363 5.2244e-20 1.2000e-03 3.8758e-13 6.0000e-04 - 1 advect 4 4 14 14 6.99499 9.87646 6.6309e-17 1.2000e-03 4.8477e-11 6.0000e-04 - 1 advect 5 5 14 14 6.99499 9.76517 8.2828e-14 1.2000e-03 5.3425e-09 6.0000e-04 + 1 advect 1 1 14 14 6.99499 10.189 0.0000e+00 1.2000e-03 8.4376e-18 6.0000e-04 + 1 advect 2 2 14 14 6.99499 10.3835 3.7793e-23 1.2000e-03 2.4015e-15 6.0000e-04 + 1 advect 3 3 14 14 6.99499 9.78811 5.2246e-20 1.2000e-03 3.8758e-13 6.0000e-04 + 1 advect 4 4 14 14 6.99499 9.82595 6.6308e-17 1.2000e-03 4.8477e-11 6.0000e-04 + 1 advect 5 5 14 14 6.99499 9.76114 8.2828e-14 1.2000e-03 5.3425e-09 6.0000e-04 1 advect 6 6 14 14 6.995 -1.64639 1.0338e-10 1.2000e-03 5.5163e-07 5.9972e-04 - 1 advect 7 7 14 14 6.99508 -1.797 1.2624e-07 1.2000e-03 5.3712e-05 5.7308e-04 - 1 advect 8 8 14 14 6.9969 -1.64827 3.3600e-05 1.2000e-03 1.1155e-03 2.5441e-05 - 1 advect 9 9 14 14 6.99699 -1.49785 2.9988e-04 1.2000e-03 9.0012e-04 9.6415e-10 + 1 advect 7 7 14 14 6.99508 -1.79699 1.2624e-07 1.2000e-03 5.3712e-05 5.7308e-04 + 1 advect 8 8 14 14 6.9969 -1.64826 3.3600e-05 1.2000e-03 1.1155e-03 2.5441e-05 + 1 advect 9 9 14 14 6.99699 -1.64834 2.9988e-04 1.2000e-03 9.0012e-04 9.6415e-10 1 advect 10 10 14 14 6.99699 -1.7364 8.1488e-04 1.2000e-03 3.8512e-04 2.6371e-15 1 advect 11 11 14 14 6.99699 -1.79887 9.8119e-04 1.2000e-03 2.1881e-04 7.0211e-22 - 1 advect 12 12 14 14 6.99699 -1.64836 9.9867e-04 1.2000e-03 2.0133e-04 0.0000e+00 + 1 advect 12 12 14 14 6.99699 -1.64835 9.9867e-04 1.2000e-03 2.0133e-04 0.0000e+00 1 advect 13 13 14 14 6.99699 10.9107 9.9993e-04 1.2000e-03 2.0007e-04 0.0000e+00 - 1 advect 14 14 14 14 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 14 14 14 14 6.99699 -1.49786 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 15 15 14 14 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 16 16 14 14 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 17 17 14 14 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -562,21 +562,21 @@ 1 advect 38 38 14 14 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 14 14 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 14 14 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 15 15 6.99499 9.83183 0.0000e+00 1.2000e-03 6.9385e-19 6.0000e-04 - 1 advect 2 2 15 15 6.99499 0.725045 6.6496e-25 1.2000e-03 2.0523e-16 6.0000e-04 - 1 advect 3 3 15 15 6.99499 9.77839 9.5487e-22 1.2000e-03 3.4076e-14 6.0000e-04 - 1 advect 4 4 15 15 6.99499 0.592082 1.2161e-18 1.2000e-03 4.3421e-12 6.0000e-04 - 1 advect 5 5 15 15 6.99499 0.796741 1.5199e-15 1.2000e-03 4.8383e-10 6.0000e-04 - 1 advect 6 6 15 15 6.995 -1.49588 1.8976e-12 1.2000e-03 5.0275e-08 5.9997e-04 - 1 advect 7 7 15 15 6.995 -1.73445 2.3652e-09 1.2000e-03 5.0148e-06 5.9749e-04 - 1 advect 8 8 15 15 6.99565 -1.79756 2.4150e-06 1.2000e-03 4.0008e-04 3.9875e-04 - 1 advect 9 9 15 15 6.99698 -1.64836 8.6183e-05 1.2000e-03 1.1133e-03 2.5748e-07 - 1 advect 10 10 15 15 6.99699 -1.49785 4.9234e-04 1.2000e-03 7.0766e-04 4.5170e-12 - 1 advect 11 11 15 15 6.99699 -1.73641 9.1036e-04 1.2000e-03 2.8964e-04 4.2338e-18 + 1 advect 1 1 15 15 6.99499 0.998168 0.0000e+00 1.2000e-03 6.9385e-19 6.0000e-04 + 1 advect 2 2 15 15 6.99499 9.70637 6.6379e-25 1.2000e-03 2.0523e-16 6.0000e-04 + 1 advect 3 3 15 15 6.99499 9.94766 9.5484e-22 1.2000e-03 3.4076e-14 6.0000e-04 + 1 advect 4 4 15 15 6.99499 9.57715 1.2161e-18 1.2000e-03 4.3421e-12 6.0000e-04 + 1 advect 5 5 15 15 6.99499 9.85815 1.5199e-15 1.2000e-03 4.8383e-10 6.0000e-04 + 1 advect 6 6 15 15 6.995 -1.49587 1.8976e-12 1.2000e-03 5.0275e-08 5.9997e-04 + 1 advect 7 7 15 15 6.995 -1.73444 2.3652e-09 1.2000e-03 5.0148e-06 5.9749e-04 + 1 advect 8 8 15 15 6.99565 -1.79755 2.4150e-06 1.2000e-03 4.0008e-04 3.9875e-04 + 1 advect 9 9 15 15 6.99698 -1.64835 8.6183e-05 1.2000e-03 1.1133e-03 2.5748e-07 + 1 advect 10 10 15 15 6.99699 -1.64834 4.9234e-04 1.2000e-03 7.0766e-04 4.5170e-12 + 1 advect 11 11 15 15 6.99699 -1.7364 9.1036e-04 1.2000e-03 2.8964e-04 4.2338e-18 1 advect 12 12 15 15 6.99699 -1.79887 9.9199e-04 1.2000e-03 2.0801e-04 8.3644e-25 - 1 advect 13 13 15 15 6.99699 -1.64836 9.9946e-04 1.2000e-03 2.0054e-04 0.0000e+00 + 1 advect 13 13 15 15 6.99699 -1.64835 9.9946e-04 1.2000e-03 2.0054e-04 0.0000e+00 1 advect 14 14 15 15 6.99699 10.9107 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 - 1 advect 15 15 15 15 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 15 15 15 15 6.99699 -1.49785 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 16 16 15 15 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 17 17 15 15 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 18 18 15 15 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -602,22 +602,22 @@ 1 advect 38 38 15 15 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 15 15 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 15 15 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 16 16 6.99499 9.74448 0.0000e+00 1.2000e-03 5.7058e-20 6.0000e-04 - 1 advect 2 2 16 16 6.99499 10.4817 0.0000e+00 1.2000e-03 1.7515e-17 6.0000e-04 - 1 advect 3 3 16 16 6.99499 1.22168 1.7611e-23 1.2000e-03 2.9906e-15 6.0000e-04 - 1 advect 4 4 16 16 6.99499 9.86697 2.2302e-20 1.2000e-03 3.8834e-13 6.0000e-04 - 1 advect 5 5 16 16 6.99499 0.590857 2.7891e-17 1.2000e-03 4.3772e-11 6.0000e-04 - 1 advect 6 6 16 16 6.99499 0.676667 3.4823e-14 1.2000e-03 4.5784e-09 6.0000e-04 + 1 advect 1 1 16 16 6.99499 0.808753 0.0000e+00 1.2000e-03 5.7058e-20 6.0000e-04 + 1 advect 2 2 16 16 6.99499 10.5552 0.0000e+00 1.2000e-03 1.7514e-17 6.0000e-04 + 1 advect 3 3 16 16 6.99499 10.1126 1.7608e-23 1.2000e-03 2.9906e-15 6.0000e-04 + 1 advect 4 4 16 16 6.99499 9.83645 2.2302e-20 1.2000e-03 3.8834e-13 6.0000e-04 + 1 advect 5 5 16 16 6.99499 0.884714 2.7891e-17 1.2000e-03 4.3772e-11 6.0000e-04 + 1 advect 6 6 16 16 6.99499 9.88923 3.4823e-14 1.2000e-03 4.5784e-09 6.0000e-04 1 advect 7 7 16 16 6.995 -1.64639 4.3485e-11 1.2000e-03 4.5930e-07 5.9977e-04 - 1 advect 8 8 16 16 6.99507 -1.73451 5.3307e-08 1.2000e-03 4.4098e-05 5.7792e-04 + 1 advect 8 8 16 16 6.99507 -1.7345 5.3307e-08 1.2000e-03 4.4098e-05 5.7792e-04 1 advect 9 9 16 16 6.99685 -1.73627 1.7350e-05 1.2000e-03 1.1057e-03 3.8451e-05 - 1 advect 10 10 16 16 6.99699 -1.7364 1.8232e-04 1.2000e-03 1.0177e-03 2.0637e-09 - 1 advect 11 11 16 16 6.99699 -1.49785 6.8536e-04 1.2000e-03 5.1464e-04 1.3838e-14 + 1 advect 10 10 16 16 6.99699 -1.73639 1.8232e-04 1.2000e-03 1.0177e-03 2.0637e-09 + 1 advect 11 11 16 16 6.99699 -1.64834 6.8536e-04 1.2000e-03 5.1464e-04 1.3838e-14 1 advect 12 12 16 16 6.99699 -1.7364 9.5936e-04 1.2000e-03 2.4064e-04 5.7140e-21 - 1 advect 13 13 16 16 6.99699 -1.79888 9.9663e-04 1.2000e-03 2.0337e-04 9.7838e-28 - 1 advect 14 14 16 16 6.99699 -1.64836 9.9978e-04 1.2000e-03 2.0022e-04 0.0000e+00 + 1 advect 13 13 16 16 6.99699 -1.79887 9.9663e-04 1.2000e-03 2.0337e-04 9.7838e-28 + 1 advect 14 14 16 16 6.99699 -1.64835 9.9978e-04 1.2000e-03 2.0022e-04 0.0000e+00 1 advect 15 15 16 16 6.99699 10.9107 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 16 16 16 16 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 16 16 16 16 6.99699 -1.49785 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 17 17 16 16 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 18 18 16 16 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 19 19 16 16 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -642,23 +642,23 @@ 1 advect 38 38 16 16 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 16 16 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 16 16 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 17 17 6.99499 1.06441 0.0000e+00 1.2000e-03 4.6921e-21 6.0000e-04 - 1 advect 2 2 17 17 6.99499 9.77567 0.0000e+00 1.2000e-03 1.4927e-18 6.0000e-04 - 1 advect 3 3 17 17 6.99499 9.67181 3.0931e-25 1.2000e-03 2.6200e-16 6.0000e-04 - 1 advect 4 4 17 17 6.99499 9.67581 4.1427e-22 1.2000e-03 3.4679e-14 6.0000e-04 - 1 advect 5 5 17 17 6.99499 9.80162 5.1187e-19 1.2000e-03 3.9559e-12 6.0000e-04 - 1 advect 6 6 17 17 6.99499 0.64374 6.3903e-16 1.2000e-03 4.1667e-10 6.0000e-04 - 1 advect 7 7 17 17 6.995 -1.49589 7.9811e-13 1.2000e-03 4.1978e-08 5.9998e-04 + 1 advect 1 1 17 17 6.99499 0.401511 0.0000e+00 1.2000e-03 4.6921e-21 6.0000e-04 + 1 advect 2 2 17 17 6.99499 0.776843 0.0000e+00 1.2000e-03 1.4927e-18 6.0000e-04 + 1 advect 3 3 17 17 6.99499 9.80607 3.0926e-25 1.2000e-03 2.6200e-16 6.0000e-04 + 1 advect 4 4 17 17 6.99499 9.76156 4.0906e-22 1.2000e-03 3.4679e-14 6.0000e-04 + 1 advect 5 5 17 17 6.99499 9.698 5.1187e-19 1.2000e-03 3.9559e-12 6.0000e-04 + 1 advect 6 6 17 17 6.99499 0.850758 6.3903e-16 1.2000e-03 4.1667e-10 6.0000e-04 + 1 advect 7 7 17 17 6.995 -1.49587 7.9811e-13 1.2000e-03 4.1978e-08 5.9998e-04 1 advect 8 8 17 17 6.995 -1.6464 9.9495e-10 1.2000e-03 4.1092e-06 5.9794e-04 - 1 advect 9 9 17 17 6.99554 -1.73498 1.0574e-06 1.2000e-03 3.3678e-04 4.3108e-04 + 1 advect 9 9 17 17 6.99554 -1.73497 1.0574e-06 1.2000e-03 3.3678e-04 4.3108e-04 1 advect 10 10 17 17 6.99698 -1.7364 4.7028e-05 1.2000e-03 1.1521e-03 4.3176e-07 1 advect 11 11 17 17 6.99699 -1.79887 3.3450e-04 1.2000e-03 8.6550e-04 1.2929e-11 - 1 advect 12 12 17 17 6.99699 -1.49784 8.3135e-04 1.2000e-03 3.6865e-04 2.8569e-17 - 1 advect 13 13 17 17 6.99699 -1.73641 9.8220e-04 1.2000e-03 2.1780e-04 7.0735e-24 - 1 advect 14 14 17 17 6.99699 -1.79888 9.9859e-04 1.2000e-03 2.0141e-04 0.0000e+00 - 1 advect 15 15 17 17 6.99699 -1.64836 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 + 1 advect 12 12 17 17 6.99699 -1.64834 8.3135e-04 1.2000e-03 3.6865e-04 2.8569e-17 + 1 advect 13 13 17 17 6.99699 -1.7364 9.8220e-04 1.2000e-03 2.1780e-04 7.0735e-24 + 1 advect 14 14 17 17 6.99699 -1.79887 9.9859e-04 1.2000e-03 2.0141e-04 0.0000e+00 + 1 advect 15 15 17 17 6.99699 -1.64835 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 1 advect 16 16 17 17 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 17 17 17 17 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 17 17 17 17 6.99699 -1.49785 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 18 18 17 17 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 19 19 17 17 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 20 20 17 17 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -682,24 +682,24 @@ 1 advect 38 38 17 17 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 17 17 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 17 17 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 18 18 6.99499 0.849248 0.0000e+00 1.2000e-03 3.8585e-22 6.0000e-04 - 1 advect 2 2 18 18 6.99499 10.4869 0.0000e+00 1.2000e-03 1.2706e-19 6.0000e-04 - 1 advect 3 3 18 18 6.99499 9.84453 0.0000e+00 1.2000e-03 2.2915e-17 6.0000e-04 - 1 advect 4 4 18 18 6.99499 9.74682 7.6876e-24 1.2000e-03 3.0923e-15 6.0000e-04 - 1 advect 5 5 18 18 6.99499 9.72312 9.3991e-21 1.2000e-03 3.5714e-13 6.0000e-04 - 1 advect 6 6 18 18 6.99499 9.8213 1.1727e-17 1.2000e-03 3.7895e-11 6.0000e-04 - 1 advect 7 7 18 18 6.99499 0.730285 1.4646e-14 1.2000e-03 3.8345e-09 6.0000e-04 - 1 advect 8 8 18 18 6.995 -1.49589 1.8286e-11 1.2000e-03 3.7696e-07 5.9981e-04 + 1 advect 1 1 18 18 6.99499 1.10451 0.0000e+00 1.2000e-03 3.8585e-22 6.0000e-04 + 1 advect 2 2 18 18 6.99499 0.882473 0.0000e+00 1.2000e-03 1.2706e-19 6.0000e-04 + 1 advect 3 3 18 18 6.99499 1.1381 0.0000e+00 1.2000e-03 2.2915e-17 6.0000e-04 + 1 advect 4 4 18 18 6.99499 9.72028 7.6001e-24 1.2000e-03 3.0923e-15 6.0000e-04 + 1 advect 5 5 18 18 6.99499 9.76736 9.3938e-21 1.2000e-03 3.5714e-13 6.0000e-04 + 1 advect 6 6 18 18 6.99499 9.60285 1.1727e-17 1.2000e-03 3.7895e-11 6.0000e-04 + 1 advect 7 7 18 18 6.99499 1.74737 1.4646e-14 1.2000e-03 3.8345e-09 6.0000e-04 + 1 advect 8 8 18 18 6.995 -1.49586 1.8286e-11 1.2000e-03 3.7696e-07 5.9981e-04 1 advect 9 9 18 18 6.99505 -1.7345 2.2530e-08 1.2000e-03 3.5880e-05 5.8205e-04 - 1 advect 10 10 18 18 6.99679 -1.64816 8.8765e-06 1.2000e-03 1.0785e-03 5.6291e-05 + 1 advect 10 10 18 18 6.99679 -1.64815 8.8765e-06 1.2000e-03 1.0785e-03 5.6291e-05 1 advect 11 11 18 18 6.99699 -1.79887 1.0512e-04 1.2000e-03 1.0949e-03 3.8809e-09 1 advect 12 12 18 18 6.99699 -1.79887 5.2715e-04 1.2000e-03 6.7285e-04 5.6462e-14 - 1 advect 13 13 18 18 6.99699 -1.49784 9.1854e-04 1.2000e-03 2.8146e-04 4.4602e-20 + 1 advect 13 13 18 18 6.99699 -1.64834 9.1854e-04 1.2000e-03 2.8146e-04 4.4602e-20 1 advect 14 14 18 18 6.99699 -1.7364 9.9233e-04 1.2000e-03 2.0767e-04 8.4157e-27 1 advect 15 15 18 18 6.99699 -1.79887 9.9941e-04 1.2000e-03 2.0059e-04 0.0000e+00 - 1 advect 16 16 18 18 6.99699 -1.64836 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 + 1 advect 16 16 18 18 6.99699 -1.64835 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 1 advect 17 17 18 18 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 18 18 18 18 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 18 18 18 18 6.99699 -1.49786 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 19 19 18 18 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 20 20 18 18 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 21 21 18 18 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -722,25 +722,25 @@ 1 advect 38 38 18 18 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 18 18 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 18 18 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 19 19 6.99499 1.00701 0.0000e+00 1.2000e-03 3.1730e-23 6.0000e-04 - 1 advect 2 2 19 19 6.99499 1.05366 0.0000e+00 1.2000e-03 1.0803e-20 6.0000e-04 - 1 advect 3 3 19 19 6.99499 9.89794 0.0000e+00 1.2000e-03 2.0010e-18 6.0000e-04 - 1 advect 4 4 19 19 6.99499 9.85854 1.3502e-25 1.2000e-03 2.7532e-16 6.0000e-04 - 1 advect 5 5 19 19 6.99499 9.88048 1.7609e-22 1.2000e-03 3.2207e-14 6.0000e-04 - 1 advect 6 6 19 19 6.99499 9.66014 2.1524e-19 1.2000e-03 3.4440e-12 6.0000e-04 - 1 advect 7 7 19 19 6.99499 9.85341 2.6876e-16 1.2000e-03 3.5010e-10 6.0000e-04 + 1 advect 1 1 19 19 6.99499 1.05387 0.0000e+00 1.2000e-03 3.1730e-23 6.0000e-04 + 1 advect 2 2 19 19 6.99499 9.68779 0.0000e+00 1.2000e-03 1.0803e-20 6.0000e-04 + 1 advect 3 3 19 19 6.99499 1.59805 0.0000e+00 1.2000e-03 2.0010e-18 6.0000e-04 + 1 advect 4 4 19 19 6.99499 8.57174 1.3349e-25 1.2000e-03 2.7532e-16 6.0000e-04 + 1 advect 5 5 19 19 6.99499 9.7797 1.7249e-22 1.2000e-03 3.2207e-14 6.0000e-04 + 1 advect 6 6 19 19 6.99499 9.78478 2.1523e-19 1.2000e-03 3.4440e-12 6.0000e-04 + 1 advect 7 7 19 19 6.99499 1.73936 2.6876e-16 1.2000e-03 3.5010e-10 6.0000e-04 1 advect 8 8 19 19 6.995 -1.49588 3.3561e-13 1.2000e-03 3.4523e-08 5.9998e-04 - 1 advect 9 9 19 19 6.995 -1.4959 4.1914e-10 1.2000e-03 3.3368e-06 5.9833e-04 + 1 advect 9 9 19 19 6.995 -1.49588 4.1914e-10 1.2000e-03 3.3368e-06 5.9833e-04 1 advect 10 10 19 19 6.99545 -1.73489 4.6220e-07 1.2000e-03 2.8091e-04 4.5931e-04 - 1 advect 11 11 19 19 6.99698 -1.64835 2.5303e-05 1.2000e-03 1.1733e-03 6.9801e-07 + 1 advect 11 11 19 19 6.99698 -1.64834 2.5303e-05 1.2000e-03 1.1733e-03 6.9801e-07 1 advect 12 12 19 19 6.99699 -1.79887 2.0933e-04 1.2000e-03 9.9067e-04 2.9813e-11 - 1 advect 13 13 19 19 6.99699 -1.79887 7.1255e-04 1.2000e-03 4.8745e-04 1.6163e-16 - 1 advect 14 14 19 19 6.99699 -1.49784 9.6296e-04 1.2000e-03 2.3704e-04 5.9394e-23 - 1 advect 15 15 19 19 6.99699 -1.73641 9.9673e-04 1.2000e-03 2.0327e-04 0.0000e+00 + 1 advect 13 13 19 19 6.99699 -1.79886 7.1255e-04 1.2000e-03 4.8745e-04 1.6163e-16 + 1 advect 14 14 19 19 6.99699 -1.64834 9.6296e-04 1.2000e-03 2.3704e-04 5.9394e-23 + 1 advect 15 15 19 19 6.99699 -1.7364 9.9673e-04 1.2000e-03 2.0327e-04 0.0000e+00 1 advect 16 16 19 19 6.99699 -1.79887 9.9975e-04 1.2000e-03 2.0025e-04 0.0000e+00 - 1 advect 17 17 19 19 6.99699 -1.64836 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 17 17 19 19 6.99699 -1.64835 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 1 advect 18 18 19 19 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 19 19 19 19 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 19 19 19 19 6.99699 -1.49786 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 20 20 19 19 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 21 21 19 19 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 22 22 19 19 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -762,26 +762,26 @@ 1 advect 38 38 19 19 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 19 19 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 19 19 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 20 20 6.99499 1.12224 0.0000e+00 1.2000e-03 2.6092e-24 6.0000e-04 - 1 advect 2 2 20 20 6.99499 9.74347 0.0000e+00 1.2000e-03 9.2260e-22 6.0000e-04 - 1 advect 3 3 20 20 6.99499 9.43288 0.0000e+00 1.2000e-03 1.7456e-19 6.0000e-04 - 1 advect 4 4 20 20 6.99499 0.637515 0.0000e+00 1.2000e-03 2.4477e-17 6.0000e-04 - 1 advect 5 5 20 20 6.99499 9.85463 3.2259e-24 1.2000e-03 2.9012e-15 6.0000e-04 - 1 advect 6 6 20 20 6.99499 9.6264 3.9542e-21 1.2000e-03 3.1277e-13 6.0000e-04 - 1 advect 7 7 20 20 6.99499 9.79777 4.9319e-18 1.2000e-03 3.1951e-11 6.0000e-04 - 1 advect 8 8 20 20 6.99499 9.80242 6.1588e-15 1.2000e-03 3.1603e-09 6.0000e-04 + 1 advect 1 1 20 20 6.99499 1.05087 0.0000e+00 1.2000e-03 2.6092e-24 6.0000e-04 + 1 advect 2 2 20 20 6.99499 1.399 0.0000e+00 1.2000e-03 9.2370e-22 6.0000e-04 + 1 advect 3 3 20 20 6.99499 9.78896 0.0000e+00 1.2000e-03 1.7446e-19 6.0000e-04 + 1 advect 4 4 20 20 6.99499 9.67022 0.0000e+00 1.2000e-03 2.4477e-17 6.0000e-04 + 1 advect 5 5 20 20 6.99499 9.61646 3.1612e-24 1.2000e-03 2.9012e-15 6.0000e-04 + 1 advect 6 6 20 20 6.99499 9.83219 3.9505e-21 1.2000e-03 3.1277e-13 6.0000e-04 + 1 advect 7 7 20 20 6.99499 9.83263 4.9319e-18 1.2000e-03 3.1951e-11 6.0000e-04 + 1 advect 8 8 20 20 6.99499 1.3468 6.1588e-15 1.2000e-03 3.1603e-09 6.0000e-04 1 advect 9 9 20 20 6.995 -1.6464 7.7006e-12 1.2000e-03 3.0643e-07 5.9985e-04 - 1 advect 10 10 20 20 6.99504 -1.64645 9.5678e-09 1.2000e-03 2.9095e-05 5.8545e-04 + 1 advect 10 10 20 20 6.99504 -1.64644 9.5678e-09 1.2000e-03 2.9095e-05 5.8545e-04 1 advect 11 11 20 20 6.99671 -1.64809 4.4981e-06 1.2000e-03 1.0370e-03 7.9256e-05 - 1 advect 12 12 20 20 6.99699 -1.64836 5.8652e-05 1.2000e-03 1.1413e-03 6.7068e-09 + 1 advect 12 12 20 20 6.99699 -1.64834 5.8652e-05 1.2000e-03 1.1413e-03 6.7068e-09 1 advect 13 13 20 20 6.99699 -1.79887 3.6839e-04 1.2000e-03 8.3161e-04 1.7608e-13 1 advect 14 14 20 20 6.99699 -1.79887 8.4796e-04 1.2000e-03 3.5204e-04 3.1732e-19 - 1 advect 15 15 20 20 6.99699 -1.49784 9.8368e-04 1.2000e-03 2.1632e-04 7.3095e-26 - 1 advect 16 16 20 20 6.99699 -1.73641 9.9861e-04 1.2000e-03 2.0139e-04 0.0000e+00 + 1 advect 15 15 20 20 6.99699 -1.64834 9.8368e-04 1.2000e-03 2.1632e-04 7.3095e-26 + 1 advect 16 16 20 20 6.99699 -1.7364 9.9861e-04 1.2000e-03 2.0139e-04 0.0000e+00 1 advect 17 17 20 20 6.99699 -1.79887 9.9990e-04 1.2000e-03 2.0010e-04 0.0000e+00 - 1 advect 18 18 20 20 6.99699 -1.64836 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 18 18 20 20 6.99699 -1.64835 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 1 advect 19 19 20 20 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 20 20 20 20 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 20 20 20 20 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 21 21 20 20 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 22 22 20 20 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 23 23 20 20 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -802,27 +802,27 @@ 1 advect 38 38 20 20 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 20 20 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 20 20 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 - 1 advect 1 1 21 21 6.99499 10.1717 0.0000e+00 1.2000e-03 2.1457e-25 6.0000e-04 - 1 advect 2 2 21 21 6.99499 9.67244 0.0000e+00 1.2000e-03 7.8592e-23 6.0000e-04 - 1 advect 3 3 21 21 6.99499 9.7553 0.0000e+00 1.2000e-03 1.5223e-20 6.0000e-04 - 1 advect 4 4 21 21 6.99499 10.1913 0.0000e+00 1.2000e-03 2.1731e-18 6.0000e-04 - 1 advect 5 5 21 21 6.99499 0.897834 0.0000e+00 1.2000e-03 2.6104e-16 6.0000e-04 - 1 advect 6 6 21 21 6.99499 9.89043 7.2634e-23 1.2000e-03 2.8383e-14 6.0000e-04 - 1 advect 7 7 21 21 6.99499 10.0311 9.0524e-20 1.2000e-03 2.9145e-12 6.0000e-04 - 1 advect 8 8 21 21 6.99499 9.83075 1.1302e-16 1.2000e-03 2.8920e-10 6.0000e-04 - 1 advect 9 9 21 21 6.995 10.0249 1.4132e-13 1.2000e-03 2.8102e-08 5.9999e-04 + 1 advect 1 1 21 21 6.99499 1.21638 0.0000e+00 1.2000e-03 2.1457e-25 6.0000e-04 + 1 advect 2 2 21 21 6.99499 1.31788 0.0000e+00 1.2000e-03 7.8795e-23 6.0000e-04 + 1 advect 3 3 21 21 6.99499 9.74692 0.0000e+00 1.2000e-03 1.5215e-20 6.0000e-04 + 1 advect 4 4 21 21 6.99499 9.8707 0.0000e+00 1.2000e-03 2.1730e-18 6.0000e-04 + 1 advect 5 5 21 21 6.99499 9.76143 0.0000e+00 1.2000e-03 2.6104e-16 6.0000e-04 + 1 advect 6 6 21 21 6.99499 9.81697 7.2503e-23 1.2000e-03 2.8383e-14 6.0000e-04 + 1 advect 7 7 21 21 6.99499 9.88409 9.0521e-20 1.2000e-03 2.9145e-12 6.0000e-04 + 1 advect 8 8 21 21 6.99499 9.85351 1.1302e-16 1.2000e-03 2.8920e-10 6.0000e-04 + 1 advect 9 9 21 21 6.995 0.520984 1.4132e-13 1.2000e-03 2.8102e-08 5.9999e-04 1 advect 10 10 21 21 6.995 -1.6464 1.7748e-10 1.2000e-03 2.7002e-06 5.9865e-04 - 1 advect 11 11 21 21 6.99537 -1.64677 2.0259e-07 1.2000e-03 2.3365e-04 4.8307e-04 + 1 advect 11 11 21 21 6.99537 -1.64676 2.0259e-07 1.2000e-03 2.3365e-04 4.8307e-04 1 advect 12 12 21 21 6.99698 -1.64835 1.3509e-05 1.2000e-03 1.1843e-03 1.0959e-06 - 1 advect 13 13 21 21 6.99699 -1.64836 1.2339e-04 1.2000e-03 1.0766e-03 5.8620e-11 + 1 advect 13 13 21 21 6.99699 -1.64834 1.2339e-04 1.2000e-03 1.0766e-03 5.8620e-11 1 advect 14 14 21 21 6.99699 -1.79887 5.6133e-04 1.2000e-03 6.3867e-04 7.1594e-16 - 1 advect 15 15 21 21 6.99699 -1.79887 9.2698e-04 1.2000e-03 2.7302e-04 4.8110e-22 - 1 advect 16 16 21 21 6.99699 -1.49784 9.9292e-04 1.2000e-03 2.0708e-04 0.0000e+00 + 1 advect 15 15 21 21 6.99699 -1.79886 9.2698e-04 1.2000e-03 2.7302e-04 4.8110e-22 + 1 advect 16 16 21 21 6.99699 -1.64833 9.9292e-04 1.2000e-03 2.0708e-04 0.0000e+00 1 advect 17 17 21 21 6.99699 -1.7364 9.9941e-04 1.2000e-03 2.0059e-04 0.0000e+00 1 advect 18 18 21 21 6.99699 -1.79887 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 - 1 advect 19 19 21 21 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 19 19 21 21 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 20 20 21 21 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 21 21 21 21 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 21 21 21 21 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 22 22 21 21 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 23 23 21 21 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 24 24 21 21 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -843,27 +843,27 @@ 1 advect 39 39 21 21 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 21 21 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 1 1 22 22 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 2 2 22 22 6.99499 9.94739 0.0000e+00 1.2000e-03 7.3523e-24 6.0000e-04 - 1 advect 3 3 22 22 6.99499 9.7553 0.0000e+00 1.2000e-03 1.3257e-21 6.0000e-04 - 1 advect 4 4 22 22 6.99499 9.75003 0.0000e+00 1.2000e-03 1.9267e-19 6.0000e-04 - 1 advect 5 5 22 22 6.99499 9.79769 0.0000e+00 1.2000e-03 2.3462e-17 6.0000e-04 - 1 advect 6 6 22 22 6.99499 9.396 1.2757e-24 1.2000e-03 2.5736e-15 6.0000e-04 - 1 advect 7 7 22 22 6.99499 9.85774 1.6616e-21 1.2000e-03 2.6572e-13 6.0000e-04 - 1 advect 8 8 22 22 6.99499 9.8088 2.0743e-18 1.2000e-03 2.6457e-11 6.0000e-04 - 1 advect 9 9 22 22 6.99499 9.82684 2.5932e-15 1.2000e-03 2.5764e-09 6.0000e-04 - 1 advect 10 10 22 22 6.995 -1.49587 3.2593e-12 1.2000e-03 2.4806e-07 5.9988e-04 + 1 advect 2 2 22 22 6.99499 1.30044 0.0000e+00 1.2000e-03 7.3658e-24 6.0000e-04 + 1 advect 3 3 22 22 6.99499 1.38417 0.0000e+00 1.2000e-03 1.3252e-21 6.0000e-04 + 1 advect 4 4 22 22 6.99499 9.77009 0.0000e+00 1.2000e-03 1.9266e-19 6.0000e-04 + 1 advect 5 5 22 22 6.99499 9.87284 0.0000e+00 1.2000e-03 2.3462e-17 6.0000e-04 + 1 advect 6 6 22 22 6.99499 9.73242 1.2734e-24 1.2000e-03 2.5736e-15 6.0000e-04 + 1 advect 7 7 22 22 6.99499 9.79856 1.6614e-21 1.2000e-03 2.6572e-13 6.0000e-04 + 1 advect 8 8 22 22 6.99499 9.83174 2.0743e-18 1.2000e-03 2.6457e-11 6.0000e-04 + 1 advect 9 9 22 22 6.99499 9.90319 2.5932e-15 1.2000e-03 2.5764e-09 6.0000e-04 + 1 advect 10 10 22 22 6.995 -1.49588 3.2593e-12 1.2000e-03 2.4806e-07 5.9988e-04 1 advect 11 11 22 22 6.99503 -1.64643 4.0975e-09 1.2000e-03 2.3648e-05 5.8817e-04 - 1 advect 12 12 22 22 6.99662 -1.73605 2.2554e-06 1.2000e-03 9.8387e-04 1.0694e-04 + 1 advect 12 12 22 22 6.99662 -1.73604 2.2554e-06 1.2000e-03 9.8387e-04 1.0694e-04 1 advect 13 13 22 22 6.99699 -1.7364 3.2111e-05 1.2000e-03 1.1679e-03 1.0939e-08 - 1 advect 14 14 22 22 6.99699 -1.64836 2.3622e-04 1.2000e-03 9.6378e-04 4.3172e-13 - 1 advect 15 15 22 22 6.99699 -1.79887 7.3900e-04 1.2000e-03 4.6100e-04 1.9142e-18 + 1 advect 14 14 22 22 6.99699 -1.64834 2.3622e-04 1.2000e-03 9.6378e-04 4.3172e-13 + 1 advect 15 15 22 22 6.99699 -1.79888 7.3900e-04 1.2000e-03 4.6100e-04 1.9142e-18 1 advect 16 16 22 22 6.99699 -1.79887 9.6681e-04 1.2000e-03 2.3319e-04 6.3142e-25 - 1 advect 17 17 22 22 6.99699 -1.49784 9.9695e-04 1.2000e-03 2.0305e-04 0.0000e+00 + 1 advect 17 17 22 22 6.99699 -1.64833 9.9695e-04 1.2000e-03 2.0305e-04 0.0000e+00 1 advect 18 18 22 22 6.99699 -1.7364 9.9975e-04 1.2000e-03 2.0025e-04 0.0000e+00 1 advect 19 19 22 22 6.99699 -1.79887 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 - 1 advect 20 20 22 22 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 20 20 22 22 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 21 21 22 22 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 22 22 22 22 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 22 22 22 22 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 23 23 22 22 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 24 24 22 22 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 25 25 22 22 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -883,28 +883,28 @@ 1 advect 39 39 22 22 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 22 22 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 1 1 23 23 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 2 2 23 23 6.99499 9.83544 0.0000e+00 1.2000e-03 6.0460e-25 6.0000e-04 - 1 advect 3 3 23 23 6.99499 9.71277 0.0000e+00 1.2000e-03 1.1598e-22 6.0000e-04 - 1 advect 4 4 23 23 6.99499 9.79395 0.0000e+00 1.2000e-03 1.7061e-20 6.0000e-04 - 1 advect 5 5 23 23 6.99499 9.75695 0.0000e+00 1.2000e-03 2.1063e-18 6.0000e-04 - 1 advect 6 6 23 23 6.99499 9.85295 0.0000e+00 1.2000e-03 2.3317e-16 6.0000e-04 - 1 advect 7 7 23 23 6.99499 0.759568 3.0440e-23 1.2000e-03 2.4213e-14 6.0000e-04 - 1 advect 8 8 23 23 6.99499 9.8523 3.8072e-20 1.2000e-03 2.4195e-12 6.0000e-04 - 1 advect 9 9 23 23 6.99499 9.85526 4.7584e-17 1.2000e-03 2.3615e-10 6.0000e-04 - 1 advect 10 10 23 23 6.995 9.864 5.9799e-14 1.2000e-03 2.2766e-08 5.9999e-04 - 1 advect 11 11 23 23 6.995 -0.363859 7.5819e-11 1.2000e-03 2.1897e-06 5.9891e-04 + 1 advect 2 2 23 23 6.99499 1.19731 0.0000e+00 1.2000e-03 6.0572e-25 6.0000e-04 + 1 advect 3 3 23 23 6.99499 1.26586 0.0000e+00 1.2000e-03 1.1595e-22 6.0000e-04 + 1 advect 4 4 23 23 6.99499 9.65603 0.0000e+00 1.2000e-03 1.7059e-20 6.0000e-04 + 1 advect 5 5 23 23 6.99499 9.78149 0.0000e+00 1.2000e-03 2.1062e-18 6.0000e-04 + 1 advect 6 6 23 23 6.99499 9.93364 0.0000e+00 1.2000e-03 2.3317e-16 6.0000e-04 + 1 advect 7 7 23 23 6.99499 9.73162 3.0436e-23 1.2000e-03 2.4213e-14 6.0000e-04 + 1 advect 8 8 23 23 6.99499 9.80983 3.8072e-20 1.2000e-03 2.4195e-12 6.0000e-04 + 1 advect 9 9 23 23 6.99499 9.83285 4.7584e-17 1.2000e-03 2.3615e-10 6.0000e-04 + 1 advect 10 10 23 23 6.995 9.90864 5.9799e-14 1.2000e-03 2.2766e-08 5.9999e-04 + 1 advect 11 11 23 23 6.995 -0.365772 7.5819e-11 1.2000e-03 2.1897e-06 5.9891e-04 1 advect 12 12 23 23 6.99531 -1.49619 8.9240e-08 1.2000e-03 1.9468e-04 5.0261e-04 - 1 advect 13 13 23 23 6.99698 -1.79887 7.1781e-06 1.2000e-03 1.1895e-03 1.6779e-06 + 1 advect 13 13 23 23 6.99698 -1.79886 7.1781e-06 1.2000e-03 1.1895e-03 1.6779e-06 1 advect 14 14 23 23 6.99699 -1.79887 6.9972e-05 1.2000e-03 1.1300e-03 1.0321e-10 - 1 advect 15 15 23 23 6.99699 -1.64836 4.0224e-04 1.2000e-03 7.9776e-04 2.3996e-15 + 1 advect 15 15 23 23 6.99699 -1.64834 4.0224e-04 1.2000e-03 7.9776e-04 2.3996e-15 1 advect 16 16 23 23 6.99699 -1.79888 8.6400e-04 1.2000e-03 3.3600e-04 3.5754e-21 1 advect 17 17 23 23 6.99699 -1.79887 9.8533e-04 1.2000e-03 2.1467e-04 7.7212e-28 - 1 advect 18 18 23 23 6.99699 -1.49784 9.9869e-04 1.2000e-03 2.0131e-04 0.0000e+00 + 1 advect 18 18 23 23 6.99699 -1.64833 9.9869e-04 1.2000e-03 2.0131e-04 0.0000e+00 1 advect 19 19 23 23 6.99699 -1.7364 9.9990e-04 1.2000e-03 2.0010e-04 0.0000e+00 1 advect 20 20 23 23 6.99699 -1.79887 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 21 21 23 23 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 21 21 23 23 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 22 22 23 23 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 23 23 23 23 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 23 23 23 23 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 24 24 23 23 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 25 25 23 23 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 26 26 23 23 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -924,28 +924,28 @@ 1 advect 40 40 23 23 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 1 1 24 24 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 24 24 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 3 3 24 24 6.99499 9.684 0.0000e+00 1.2000e-03 1.0632e-23 6.0000e-04 - 1 advect 4 4 24 24 6.99499 9.7522 0.0000e+00 1.2000e-03 1.5166e-21 6.0000e-04 - 1 advect 5 5 24 24 6.99499 9.80767 0.0000e+00 1.2000e-03 1.8887e-19 6.0000e-04 - 1 advect 6 6 24 24 6.99499 9.83321 0.0000e+00 1.2000e-03 2.1107e-17 6.0000e-04 - 1 advect 7 7 24 24 6.99499 10.1806 5.3465e-25 1.2000e-03 2.2051e-15 6.0000e-04 - 1 advect 8 8 24 24 6.99499 0.966133 6.9872e-22 1.2000e-03 2.2119e-13 6.0000e-04 - 1 advect 9 9 24 24 6.99499 9.87364 8.7332e-19 1.2000e-03 2.1640e-11 6.0000e-04 - 1 advect 10 10 24 24 6.99499 9.82255 1.0971e-15 1.2000e-03 2.0888e-09 6.0000e-04 - 1 advect 11 11 24 24 6.995 9.85117 1.3915e-12 1.2000e-03 2.0111e-07 5.9990e-04 - 1 advect 12 12 24 24 6.99503 -1.4959 1.7720e-09 1.2000e-03 1.9339e-05 5.9033e-04 - 1 advect 13 13 24 24 6.99651 -1.49737 1.1179e-06 1.2000e-03 9.2190e-04 1.3849e-04 + 1 advect 3 3 24 24 6.99499 10.2437 0.0000e+00 1.2000e-03 1.0162e-23 6.0000e-04 + 1 advect 4 4 24 24 6.99499 1.22471 0.0000e+00 1.2000e-03 1.5164e-21 6.0000e-04 + 1 advect 5 5 24 24 6.99499 9.65096 0.0000e+00 1.2000e-03 1.8887e-19 6.0000e-04 + 1 advect 6 6 24 24 6.99499 9.81584 0.0000e+00 1.2000e-03 2.1107e-17 6.0000e-04 + 1 advect 7 7 24 24 6.99499 9.92195 5.3457e-25 1.2000e-03 2.2051e-15 6.0000e-04 + 1 advect 8 8 24 24 6.99499 9.78986 6.9871e-22 1.2000e-03 2.2119e-13 6.0000e-04 + 1 advect 9 9 24 24 6.99499 9.76992 8.7332e-19 1.2000e-03 2.1640e-11 6.0000e-04 + 1 advect 10 10 24 24 6.99499 9.77642 1.0971e-15 1.2000e-03 2.0888e-09 6.0000e-04 + 1 advect 11 11 24 24 6.995 9.89872 1.3915e-12 1.2000e-03 2.0111e-07 5.9990e-04 + 1 advect 12 12 24 24 6.99503 -1.49592 1.7720e-09 1.2000e-03 1.9339e-05 5.9033e-04 + 1 advect 13 13 24 24 6.99651 -1.49738 1.1179e-06 1.2000e-03 9.2190e-04 1.3849e-04 1 advect 14 14 24 24 6.99699 -1.79887 1.7393e-05 1.2000e-03 1.1826e-03 1.7125e-08 1 advect 15 15 24 24 6.99699 -1.79887 1.4186e-04 1.2000e-03 1.0581e-03 8.7796e-13 - 1 advect 16 16 24 24 6.99699 -1.64836 5.9486e-04 1.2000e-03 6.0514e-04 9.0731e-18 + 1 advect 16 16 24 24 6.99699 -1.64834 5.9486e-04 1.2000e-03 6.0514e-04 9.0731e-18 1 advect 17 17 24 24 6.99699 -1.79888 9.3516e-04 1.2000e-03 2.6484e-04 5.2672e-24 - 1 advect 18 18 24 24 6.99699 -1.79887 9.9360e-04 1.2000e-03 2.0640e-04 0.0000e+00 - 1 advect 19 19 24 24 6.99699 -1.49784 9.9944e-04 1.2000e-03 2.0056e-04 0.0000e+00 + 1 advect 18 18 24 24 6.99699 -1.79886 9.9360e-04 1.2000e-03 2.0640e-04 0.0000e+00 + 1 advect 19 19 24 24 6.99699 -1.64833 9.9944e-04 1.2000e-03 2.0056e-04 0.0000e+00 1 advect 20 20 24 24 6.99699 -1.7364 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 1 advect 21 21 24 24 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 22 22 24 24 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 22 22 24 24 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 23 23 24 24 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 24 24 24 24 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 24 24 24 24 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 25 25 24 24 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 26 26 24 24 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 27 27 24 24 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -964,29 +964,29 @@ 1 advect 40 40 24 24 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 1 1 25 25 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 25 25 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 3 3 25 25 6.99499 10.1719 0.0000e+00 1.2000e-03 8.7429e-25 6.0000e-04 - 1 advect 4 4 25 25 6.99499 9.75622 0.0000e+00 1.2000e-03 1.3519e-22 6.0000e-04 - 1 advect 5 5 25 25 6.99499 9.80928 0.0000e+00 1.2000e-03 1.6924e-20 6.0000e-04 - 1 advect 6 6 25 25 6.99499 9.81563 0.0000e+00 1.2000e-03 1.9093e-18 6.0000e-04 - 1 advect 7 7 25 25 6.99499 9.87349 0.0000e+00 1.2000e-03 2.0071e-16 6.0000e-04 - 1 advect 8 8 25 25 6.99499 9.8348 1.2799e-23 1.2000e-03 2.0213e-14 6.0000e-04 - 1 advect 9 9 25 25 6.99499 1.75799 1.6025e-20 1.2000e-03 1.9825e-12 6.0000e-04 - 1 advect 10 10 25 25 6.99499 9.9024 2.0127e-17 1.2000e-03 1.9163e-10 6.0000e-04 - 1 advect 11 11 25 25 6.995 9.82677 2.5520e-14 1.2000e-03 1.8456e-08 5.9999e-04 - 1 advect 12 12 25 25 6.995 9.80933 3.2719e-11 1.2000e-03 1.7865e-06 5.9911e-04 - 1 advect 13 13 25 25 6.99526 -1.64665 3.9491e-08 1.2000e-03 1.6278e-04 5.1859e-04 + 1 advect 3 3 25 25 6.99499 0.9336 0.0000e+00 1.2000e-03 8.3562e-25 6.0000e-04 + 1 advect 4 4 25 25 6.99499 9.81153 0.0000e+00 1.2000e-03 1.3462e-22 6.0000e-04 + 1 advect 5 5 25 25 6.99499 1.21666 0.0000e+00 1.2000e-03 1.6924e-20 6.0000e-04 + 1 advect 6 6 25 25 6.99499 10.1834 0.0000e+00 1.2000e-03 1.9092e-18 6.0000e-04 + 1 advect 7 7 25 25 6.99499 9.83838 0.0000e+00 1.2000e-03 2.0071e-16 6.0000e-04 + 1 advect 8 8 25 25 6.99499 9.91802 1.2799e-23 1.2000e-03 2.0213e-14 6.0000e-04 + 1 advect 9 9 25 25 6.99499 9.85155 1.6028e-20 1.2000e-03 1.9825e-12 6.0000e-04 + 1 advect 10 10 25 25 6.99499 9.8751 2.0127e-17 1.2000e-03 1.9163e-10 6.0000e-04 + 1 advect 11 11 25 25 6.995 9.83964 2.5520e-14 1.2000e-03 1.8456e-08 5.9999e-04 + 1 advect 12 12 25 25 6.995 9.9299 3.2719e-11 1.2000e-03 1.7865e-06 5.9911e-04 + 1 advect 13 13 25 25 6.99526 -1.64666 3.9491e-08 1.2000e-03 1.6278e-04 5.1859e-04 1 advect 14 14 25 25 6.99698 -1.64835 3.8019e-06 1.2000e-03 1.1912e-03 2.5182e-06 1 advect 15 15 25 25 6.99699 -1.79887 3.8772e-05 1.2000e-03 1.1612e-03 1.6874e-10 1 advect 16 16 25 25 6.99699 -1.79887 2.6371e-04 1.2000e-03 9.3629e-04 6.1879e-15 - 1 advect 17 17 25 25 6.99699 -1.64836 7.6432e-04 1.2000e-03 4.3568e-04 2.2674e-20 + 1 advect 17 17 25 25 6.99699 -1.64834 7.6432e-04 1.2000e-03 4.3568e-04 2.2674e-20 1 advect 18 18 25 25 6.99699 -1.79888 9.7058e-04 1.2000e-03 2.2942e-04 6.8155e-27 - 1 advect 19 19 25 25 6.99699 -1.79887 9.9723e-04 1.2000e-03 2.0277e-04 0.0000e+00 - 1 advect 20 20 25 25 6.99699 -1.49784 9.9976e-04 1.2000e-03 2.0024e-04 0.0000e+00 + 1 advect 19 19 25 25 6.99699 -1.79886 9.9723e-04 1.2000e-03 2.0277e-04 0.0000e+00 + 1 advect 20 20 25 25 6.99699 -1.64833 9.9976e-04 1.2000e-03 2.0024e-04 0.0000e+00 1 advect 21 21 25 25 6.99699 -1.7364 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 1 advect 22 22 25 25 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 23 23 25 25 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 23 23 25 25 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 24 24 25 25 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 25 25 25 25 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 25 25 25 25 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 26 26 25 25 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 27 27 25 25 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 28 28 25 25 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1005,29 +1005,29 @@ 1 advect 1 1 26 26 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 26 26 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 26 26 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 4 4 26 26 6.99499 9.80846 0.0000e+00 1.2000e-03 1.1965e-23 6.0000e-04 - 1 advect 5 5 26 26 6.99499 9.75695 0.0000e+00 1.2000e-03 1.5159e-21 6.0000e-04 - 1 advect 6 6 26 26 6.99499 9.80062 0.0000e+00 1.2000e-03 1.7255e-19 6.0000e-04 - 1 advect 7 7 26 26 6.99499 9.68834 0.0000e+00 1.2000e-03 1.8257e-17 6.0000e-04 - 1 advect 8 8 26 26 6.99499 9.93645 2.2480e-25 1.2000e-03 1.8464e-15 6.0000e-04 - 1 advect 9 9 26 26 6.99499 9.86223 2.9409e-22 1.2000e-03 1.8158e-13 6.0000e-04 - 1 advect 10 10 26 26 6.99499 0.760878 3.6931e-19 1.2000e-03 1.7578e-11 6.0000e-04 - 1 advect 11 11 26 26 6.99499 9.93043 4.6801e-16 1.2000e-03 1.6936e-09 6.0000e-04 - 1 advect 12 12 26 26 6.995 9.83316 6.0014e-13 1.2000e-03 1.6394e-07 5.9992e-04 - 1 advect 13 13 26 26 6.99502 9.71035 7.7283e-10 1.2000e-03 1.5928e-05 5.9204e-04 - 1 advect 14 14 26 26 6.9964 -1.64777 5.4728e-07 1.2000e-03 8.5347e-04 1.7299e-04 - 1 advect 15 15 26 26 6.99699 -1.64835 9.3655e-06 1.2000e-03 1.1906e-03 2.6063e-08 + 1 advect 4 4 26 26 6.99499 1.51612 0.0000e+00 1.2000e-03 1.2831e-23 6.0000e-04 + 1 advect 5 5 26 26 6.99499 9.73476 0.0000e+00 1.2000e-03 1.5153e-21 6.0000e-04 + 1 advect 6 6 26 26 6.99499 9.61516 0.0000e+00 1.2000e-03 1.7255e-19 6.0000e-04 + 1 advect 7 7 26 26 6.99499 9.57206 0.0000e+00 1.2000e-03 1.8257e-17 6.0000e-04 + 1 advect 8 8 26 26 6.99499 10.1956 2.2480e-25 1.2000e-03 1.8464e-15 6.0000e-04 + 1 advect 9 9 26 26 6.99499 9.90916 2.9414e-22 1.2000e-03 1.8158e-13 6.0000e-04 + 1 advect 10 10 26 26 6.99499 9.86722 3.6931e-19 1.2000e-03 1.7578e-11 6.0000e-04 + 1 advect 11 11 26 26 6.99499 9.82461 4.6801e-16 1.2000e-03 1.6936e-09 6.0000e-04 + 1 advect 12 12 26 26 6.995 9.80573 6.0014e-13 1.2000e-03 1.6394e-07 5.9992e-04 + 1 advect 13 13 26 26 6.99502 9.93038 7.7283e-10 1.2000e-03 1.5928e-05 5.9204e-04 + 1 advect 14 14 26 26 6.9964 -1.64778 5.4728e-07 1.2000e-03 8.5347e-04 1.7299e-04 + 1 advect 15 15 26 26 6.99699 -1.64836 9.3655e-06 1.2000e-03 1.1906e-03 2.6063e-08 1 advect 16 16 26 26 6.99699 -1.79887 8.1531e-05 1.2000e-03 1.1185e-03 1.5663e-12 1 advect 17 17 26 26 6.99699 -1.79887 4.3634e-04 1.2000e-03 7.6366e-04 3.2294e-17 - 1 advect 18 18 26 26 6.99699 -1.64836 8.7908e-04 1.2000e-03 3.2092e-04 4.0366e-23 + 1 advect 18 18 26 26 6.99699 -1.64833 8.7908e-04 1.2000e-03 3.2092e-04 4.0366e-23 1 advect 19 19 26 26 6.99699 -1.79888 9.8697e-04 1.2000e-03 2.1303e-04 0.0000e+00 - 1 advect 20 20 26 26 6.99699 -1.79887 9.9880e-04 1.2000e-03 2.0120e-04 0.0000e+00 - 1 advect 21 21 26 26 6.99699 -1.49784 9.9990e-04 1.2000e-03 2.0010e-04 0.0000e+00 - 1 advect 22 22 26 26 6.99699 -1.73641 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 20 20 26 26 6.99699 -1.79886 9.9880e-04 1.2000e-03 2.0120e-04 0.0000e+00 + 1 advect 21 21 26 26 6.99699 -1.64833 9.9990e-04 1.2000e-03 2.0010e-04 0.0000e+00 + 1 advect 22 22 26 26 6.99699 -1.73639 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 1 advect 23 23 26 26 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 24 24 26 26 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 24 24 26 26 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 25 25 26 26 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 26 26 26 26 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 26 26 26 26 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 27 27 26 26 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 28 28 26 26 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 29 29 26 26 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1045,30 +1045,30 @@ 1 advect 1 1 27 27 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 27 27 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 27 27 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 4 4 27 27 6.99499 1.32566 0.0000e+00 1.2000e-03 9.8394e-25 6.0000e-04 - 1 advect 5 5 27 27 6.99499 9.8209 0.0000e+00 1.2000e-03 1.3680e-22 6.0000e-04 - 1 advect 6 6 27 27 6.99499 9.74334 0.0000e+00 1.2000e-03 1.5582e-20 6.0000e-04 - 1 advect 7 7 27 27 6.99499 9.77865 0.0000e+00 1.2000e-03 1.6599e-18 6.0000e-04 - 1 advect 8 8 27 27 6.99499 9.73354 0.0000e+00 1.2000e-03 1.6859e-16 6.0000e-04 - 1 advect 9 9 27 27 6.99499 9.86289 5.3869e-24 1.2000e-03 1.6627e-14 6.0000e-04 - 1 advect 10 10 27 27 6.99499 9.88575 6.7765e-21 1.2000e-03 1.6122e-12 6.0000e-04 - 1 advect 11 11 27 27 6.99499 0.79937 8.5830e-18 1.2000e-03 1.5540e-10 6.0000e-04 - 1 advect 12 12 27 27 6.995 9.93412 1.1001e-14 1.2000e-03 1.5037e-08 5.9999e-04 - 1 advect 13 13 27 27 6.995 9.63564 1.4245e-11 1.2000e-03 1.4681e-06 5.9927e-04 - 1 advect 14 14 27 27 6.99522 -1.4961 1.7522e-08 1.2000e-03 1.3651e-04 5.3174e-04 - 1 advect 15 15 27 27 6.99697 -1.64833 2.0086e-06 1.2000e-03 1.1905e-03 3.7290e-06 + 1 advect 4 4 27 27 6.99499 10.0266 0.0000e+00 1.2000e-03 1.0551e-24 6.0000e-04 + 1 advect 5 5 27 27 6.99499 10.2907 0.0000e+00 1.2000e-03 1.3820e-22 6.0000e-04 + 1 advect 6 6 27 27 6.99499 9.77005 0.0000e+00 1.2000e-03 1.5581e-20 6.0000e-04 + 1 advect 7 7 27 27 6.99499 9.76043 0.0000e+00 1.2000e-03 1.6599e-18 6.0000e-04 + 1 advect 8 8 27 27 6.99499 9.79308 0.0000e+00 1.2000e-03 1.6859e-16 6.0000e-04 + 1 advect 9 9 27 27 6.99499 9.88222 5.3877e-24 1.2000e-03 1.6627e-14 6.0000e-04 + 1 advect 10 10 27 27 6.99499 9.91809 6.7766e-21 1.2000e-03 1.6122e-12 6.0000e-04 + 1 advect 11 11 27 27 6.99499 9.83462 8.5830e-18 1.2000e-03 1.5540e-10 6.0000e-04 + 1 advect 12 12 27 27 6.995 9.84281 1.1001e-14 1.2000e-03 1.5037e-08 5.9999e-04 + 1 advect 13 13 27 27 6.995 9.75734 1.4245e-11 1.2000e-03 1.4681e-06 5.9927e-04 + 1 advect 14 14 27 27 6.99522 -1.49607 1.7522e-08 1.2000e-03 1.3651e-04 5.3174e-04 + 1 advect 15 15 27 27 6.99697 -1.64835 2.0086e-06 1.2000e-03 1.1905e-03 3.7290e-06 1 advect 16 16 27 27 6.99699 -1.64836 2.1202e-05 1.2000e-03 1.1788e-03 2.6309e-10 1 advect 17 17 27 27 6.99699 -1.79887 1.6109e-04 1.2000e-03 1.0389e-03 1.2949e-14 1 advect 18 18 27 27 6.99699 -1.79887 6.2762e-04 1.2000e-03 5.7238e-04 1.1344e-19 - 1 advect 19 19 27 27 6.99699 -1.64836 9.4281e-04 1.2000e-03 2.5719e-04 5.7856e-26 - 1 advect 20 20 27 27 6.99699 -1.79887 9.9430e-04 1.2000e-03 2.0570e-04 0.0000e+00 - 1 advect 21 21 27 27 6.99699 -1.79887 9.9949e-04 1.2000e-03 2.0051e-04 0.0000e+00 - 1 advect 22 22 27 27 6.99699 -1.49784 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 - 1 advect 23 23 27 27 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 19 19 27 27 6.99699 -1.64833 9.4281e-04 1.2000e-03 2.5719e-04 5.7856e-26 + 1 advect 20 20 27 27 6.99699 -1.79888 9.9430e-04 1.2000e-03 2.0570e-04 0.0000e+00 + 1 advect 21 21 27 27 6.99699 -1.79886 9.9949e-04 1.2000e-03 2.0051e-04 0.0000e+00 + 1 advect 22 22 27 27 6.99699 -1.64834 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 + 1 advect 23 23 27 27 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 24 24 27 27 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 25 25 27 27 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 25 25 27 27 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 26 26 27 27 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 27 27 27 27 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 27 27 27 27 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 28 28 27 27 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 29 29 27 27 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 30 30 27 27 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1086,30 +1086,30 @@ 1 advect 2 2 28 28 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 28 28 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 4 4 28 28 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 5 5 28 28 6.99499 1.55231 0.0000e+00 1.2000e-03 1.2225e-23 6.0000e-04 - 1 advect 6 6 28 28 6.99499 9.84493 0.0000e+00 1.2000e-03 1.4070e-21 6.0000e-04 - 1 advect 7 7 28 28 6.99499 9.80979 0.0000e+00 1.2000e-03 1.5082e-19 6.0000e-04 - 1 advect 8 8 28 28 6.99499 9.81527 0.0000e+00 1.2000e-03 1.5387e-17 6.0000e-04 - 1 advect 9 9 28 28 6.99499 9.72616 0.0000e+00 1.2000e-03 1.5220e-15 6.0000e-04 - 1 advect 10 10 28 28 6.99499 9.85892 1.2433e-22 1.2000e-03 1.4783e-13 6.0000e-04 - 1 advect 11 11 28 28 6.99499 9.89223 1.5743e-19 1.2000e-03 1.4259e-11 6.0000e-04 - 1 advect 12 12 28 28 6.99499 0.947904 2.0166e-16 1.2000e-03 1.3792e-09 6.0000e-04 + 1 advect 5 5 28 28 6.99499 9.73483 0.0000e+00 1.2000e-03 1.2426e-23 6.0000e-04 + 1 advect 6 6 28 28 6.99499 9.7636 0.0000e+00 1.2000e-03 1.4083e-21 6.0000e-04 + 1 advect 7 7 28 28 6.99499 9.80112 0.0000e+00 1.2000e-03 1.5082e-19 6.0000e-04 + 1 advect 8 8 28 28 6.99499 9.83271 0.0000e+00 1.2000e-03 1.5387e-17 6.0000e-04 + 1 advect 9 9 28 28 6.99499 9.84259 0.0000e+00 1.2000e-03 1.5220e-15 6.0000e-04 + 1 advect 10 10 28 28 6.99499 9.85493 1.2434e-22 1.2000e-03 1.4783e-13 6.0000e-04 + 1 advect 11 11 28 28 6.99499 9.87384 1.5743e-19 1.2000e-03 1.4259e-11 6.0000e-04 + 1 advect 12 12 28 28 6.99499 9.82837 2.0166e-16 1.2000e-03 1.3792e-09 6.0000e-04 1 advect 13 13 28 28 6.995 -1.49586 2.6115e-13 1.2000e-03 1.3459e-07 5.9993e-04 - 1 advect 14 14 28 28 6.99502 9.56348 3.3895e-10 1.2000e-03 1.3196e-05 5.9340e-04 - 1 advect 15 15 28 28 6.99627 -1.49714 2.6450e-07 1.2000e-03 7.8056e-04 2.0959e-04 - 1 advect 16 16 28 28 6.99699 -1.7364 5.0257e-06 1.2000e-03 1.1949e-03 3.8993e-08 + 1 advect 14 14 28 28 6.99502 9.73322 3.3895e-10 1.2000e-03 1.3196e-05 5.9340e-04 + 1 advect 15 15 28 28 6.99627 -1.49711 2.6450e-07 1.2000e-03 7.8056e-04 2.0959e-04 + 1 advect 16 16 28 28 6.99699 -1.73641 5.0257e-06 1.2000e-03 1.1949e-03 3.8993e-08 1 advect 17 17 28 28 6.99699 -1.64836 4.5609e-05 1.2000e-03 1.1544e-03 2.5680e-12 1 advect 18 18 28 28 6.99699 -1.79887 2.9218e-04 1.2000e-03 9.0782e-04 8.7116e-17 1 advect 19 19 28 28 6.99699 -1.79887 7.8826e-04 1.2000e-03 4.1174e-04 2.6533e-22 - 1 advect 20 20 28 28 6.99699 -1.64836 9.7411e-04 1.2000e-03 2.2589e-04 0.0000e+00 - 1 advect 21 21 28 28 6.99699 -1.79887 9.9752e-04 1.2000e-03 2.0248e-04 0.0000e+00 - 1 advect 22 22 28 28 6.99699 -1.79887 9.9978e-04 1.2000e-03 2.0022e-04 0.0000e+00 - 1 advect 23 23 28 28 6.99699 -1.49784 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 - 1 advect 24 24 28 28 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 20 20 28 28 6.99699 -1.64833 9.7411e-04 1.2000e-03 2.2589e-04 0.0000e+00 + 1 advect 21 21 28 28 6.99699 -1.79888 9.9752e-04 1.2000e-03 2.0248e-04 0.0000e+00 + 1 advect 22 22 28 28 6.99699 -1.79886 9.9978e-04 1.2000e-03 2.0022e-04 0.0000e+00 + 1 advect 23 23 28 28 6.99699 -1.64834 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 + 1 advect 24 24 28 28 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 25 25 28 28 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 26 26 28 28 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 26 26 28 28 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 27 27 28 28 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 28 28 28 28 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 28 28 28 28 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 29 29 28 28 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 30 30 28 28 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 31 31 28 28 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1126,31 +1126,31 @@ 1 advect 2 2 29 29 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 29 29 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 4 4 29 29 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 5 5 29 29 6.99499 1.0524 0.0000e+00 1.2000e-03 1.0053e-24 6.0000e-04 - 1 advect 6 6 29 29 6.99499 10.2213 0.0000e+00 1.2000e-03 1.2897e-22 6.0000e-04 - 1 advect 7 7 29 29 6.99499 9.86933 0.0000e+00 1.2000e-03 1.3695e-20 6.0000e-04 - 1 advect 8 8 29 29 6.99499 9.83168 0.0000e+00 1.2000e-03 1.4040e-18 6.0000e-04 - 1 advect 9 9 29 29 6.99499 9.73749 0.0000e+00 1.2000e-03 1.3928e-16 6.0000e-04 - 1 advect 10 10 29 29 6.99499 10.2647 2.1838e-24 1.2000e-03 1.3554e-14 6.0000e-04 - 1 advect 11 11 29 29 6.99499 9.85222 2.8877e-21 1.2000e-03 1.3083e-12 6.0000e-04 - 1 advect 12 12 29 29 6.99499 9.91083 3.6971e-18 1.2000e-03 1.2650e-10 6.0000e-04 - 1 advect 13 13 29 29 6.995 0.821348 4.7852e-15 1.2000e-03 1.2335e-08 5.9999e-04 + 1 advect 5 5 29 29 6.99499 0.94221 0.0000e+00 1.2000e-03 1.0218e-24 6.0000e-04 + 1 advect 6 6 29 29 6.99499 9.78858 0.0000e+00 1.2000e-03 1.2884e-22 6.0000e-04 + 1 advect 7 7 29 29 6.99499 9.75992 0.0000e+00 1.2000e-03 1.3696e-20 6.0000e-04 + 1 advect 8 8 29 29 6.99499 9.70808 0.0000e+00 1.2000e-03 1.4040e-18 6.0000e-04 + 1 advect 9 9 29 29 6.99499 9.7944 0.0000e+00 1.2000e-03 1.3928e-16 6.0000e-04 + 1 advect 10 10 29 29 6.99499 9.86135 2.1838e-24 1.2000e-03 1.3554e-14 6.0000e-04 + 1 advect 11 11 29 29 6.99499 9.81936 2.8877e-21 1.2000e-03 1.3083e-12 6.0000e-04 + 1 advect 12 12 29 29 6.99499 9.90547 3.6971e-18 1.2000e-03 1.2650e-10 6.0000e-04 + 1 advect 13 13 29 29 6.995 9.76647 4.7852e-15 1.2000e-03 1.2335e-08 5.9999e-04 1 advect 14 14 29 29 6.995 -1.64639 6.2397e-12 1.2000e-03 1.2141e-06 5.9939e-04 - 1 advect 15 15 29 29 6.99518 0.738142 7.7756e-09 1.2000e-03 1.1459e-04 5.4270e-04 - 1 advect 16 16 29 29 6.99697 0.253467 1.0589e-06 1.2000e-03 1.1880e-03 5.4864e-06 - 1 advect 17 17 29 29 6.99699 -1.73639 1.1508e-05 1.2000e-03 1.1885e-03 3.9887e-10 + 1 advect 15 15 29 29 6.99518 9.76941 7.7756e-09 1.2000e-03 1.1459e-04 5.4270e-04 + 1 advect 16 16 29 29 6.99697 0.313666 1.0589e-06 1.2000e-03 1.1880e-03 5.4864e-06 + 1 advect 17 17 29 29 6.99699 -1.7364 1.1508e-05 1.2000e-03 1.1885e-03 3.9887e-10 1 advect 18 18 29 29 6.99699 -1.64836 9.3704e-05 1.2000e-03 1.1063e-03 2.3429e-14 1 advect 19 19 29 29 6.99699 -1.79887 4.7072e-04 1.2000e-03 7.2928e-04 4.2578e-19 1 advect 20 20 29 29 6.99699 -1.79887 8.9302e-04 1.2000e-03 3.0698e-04 4.5130e-25 - 1 advect 21 21 29 29 6.99699 -1.64836 9.8854e-04 1.2000e-03 2.1146e-04 0.0000e+00 - 1 advect 22 22 29 29 6.99699 -1.79887 9.9893e-04 1.2000e-03 2.0107e-04 0.0000e+00 - 1 advect 23 23 29 29 6.99699 -1.79887 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 - 1 advect 24 24 29 29 6.99699 -1.49784 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 25 25 29 29 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 21 21 29 29 6.99699 -1.64833 9.8854e-04 1.2000e-03 2.1146e-04 0.0000e+00 + 1 advect 22 22 29 29 6.99699 -1.79888 9.9893e-04 1.2000e-03 2.0107e-04 0.0000e+00 + 1 advect 23 23 29 29 6.99699 -1.79886 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 + 1 advect 24 24 29 29 6.99699 -1.64834 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 25 25 29 29 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 26 26 29 29 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 27 27 29 29 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 27 27 29 29 6.99699 -1.64835 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 28 28 29 29 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 29 29 29 29 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 29 29 29 29 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 30 30 29 29 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 31 31 29 29 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 32 32 29 29 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1167,31 +1167,31 @@ 1 advect 3 3 30 30 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 4 4 30 30 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 5 5 30 30 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 6 6 30 30 6.99499 1.0076 0.0000e+00 1.2000e-03 1.1623e-23 6.0000e-04 - 1 advect 7 7 30 30 6.99499 9.64818 0.0000e+00 1.2000e-03 1.2447e-21 6.0000e-04 - 1 advect 8 8 30 30 6.99499 9.88807 0.0000e+00 1.2000e-03 1.2804e-19 6.0000e-04 - 1 advect 9 9 30 30 6.99499 9.91501 0.0000e+00 1.2000e-03 1.2742e-17 6.0000e-04 - 1 advect 10 10 30 30 6.99499 9.76408 0.0000e+00 1.2000e-03 1.2424e-15 6.0000e-04 - 1 advect 11 11 30 30 6.99499 9.84669 5.2871e-23 1.2000e-03 1.2002e-13 6.0000e-04 - 1 advect 12 12 30 30 6.99499 9.80344 6.7782e-20 1.2000e-03 1.1603e-11 6.0000e-04 - 1 advect 13 13 30 30 6.99499 9.9322 8.7680e-17 1.2000e-03 1.1304e-09 6.0000e-04 - 1 advect 14 14 30 30 6.995 0.790964 1.1434e-13 1.2000e-03 1.1120e-07 5.9994e-04 + 1 advect 6 6 30 30 6.99499 1.26913 0.0000e+00 1.2000e-03 1.1633e-23 6.0000e-04 + 1 advect 7 7 30 30 6.99499 9.78886 0.0000e+00 1.2000e-03 1.2447e-21 6.0000e-04 + 1 advect 8 8 30 30 6.99499 9.82102 0.0000e+00 1.2000e-03 1.2805e-19 6.0000e-04 + 1 advect 9 9 30 30 6.99499 9.73774 0.0000e+00 1.2000e-03 1.2742e-17 6.0000e-04 + 1 advect 10 10 30 30 6.99499 9.82474 0.0000e+00 1.2000e-03 1.2424e-15 6.0000e-04 + 1 advect 11 11 30 30 6.99499 9.91837 5.2871e-23 1.2000e-03 1.2002e-13 6.0000e-04 + 1 advect 12 12 30 30 6.99499 9.67331 6.7782e-20 1.2000e-03 1.1603e-11 6.0000e-04 + 1 advect 13 13 30 30 6.99499 9.90826 8.7680e-17 1.2000e-03 1.1304e-09 6.0000e-04 + 1 advect 14 14 30 30 6.995 9.76284 1.1434e-13 1.2000e-03 1.1120e-07 5.9994e-04 1 advect 15 15 30 30 6.99501 -1.6464 1.4902e-10 1.2000e-03 1.0971e-05 5.9451e-04 - 1 advect 16 16 30 30 6.99615 -1.49702 1.2611e-07 1.2000e-03 7.0482e-04 2.4753e-04 - 1 advect 17 17 30 30 6.99699 9.89946 2.6916e-06 1.2000e-03 1.1972e-03 5.7917e-08 - 1 advect 18 18 30 30 6.99699 -1.73639 2.5117e-05 1.2000e-03 1.1749e-03 4.0047e-12 - 1 advect 19 19 30 30 6.99699 -1.64837 1.8145e-04 1.2000e-03 1.0186e-03 1.8785e-16 + 1 advect 16 16 30 30 6.99615 -1.49701 1.2611e-07 1.2000e-03 7.0482e-04 2.4753e-04 + 1 advect 17 17 30 30 6.99699 10.1885 2.6916e-06 1.2000e-03 1.1972e-03 5.7917e-08 + 1 advect 18 18 30 30 6.99699 -1.7364 2.5117e-05 1.2000e-03 1.1749e-03 4.0047e-12 + 1 advect 19 19 30 30 6.99699 -1.64836 1.8145e-04 1.2000e-03 1.0186e-03 1.8785e-16 1 advect 20 20 30 30 6.99699 -1.79887 6.5940e-04 1.2000e-03 5.4060e-04 1.3894e-21 1 advect 21 21 30 30 6.99699 -1.79887 9.4979e-04 1.2000e-03 2.5021e-04 6.3072e-28 - 1 advect 22 22 30 30 6.99699 -1.64836 9.9498e-04 1.2000e-03 2.0502e-04 0.0000e+00 - 1 advect 23 23 30 30 6.99699 -1.79887 9.9954e-04 1.2000e-03 2.0046e-04 0.0000e+00 - 1 advect 24 24 30 30 6.99699 -1.79887 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 - 1 advect 25 25 30 30 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 26 26 30 30 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 22 22 30 30 6.99699 -1.64833 9.9498e-04 1.2000e-03 2.0502e-04 0.0000e+00 + 1 advect 23 23 30 30 6.99699 -1.79888 9.9954e-04 1.2000e-03 2.0046e-04 0.0000e+00 + 1 advect 24 24 30 30 6.99699 -1.79886 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 + 1 advect 25 25 30 30 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 26 26 30 30 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 27 27 30 30 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 28 28 30 30 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 29 29 30 30 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 30 30 30 30 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 30 30 30 30 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 31 31 30 30 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 32 32 30 30 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 33 33 30 30 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1207,32 +1207,32 @@ 1 advect 3 3 31 31 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 4 4 31 31 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 5 5 31 31 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 6 6 31 31 6.99499 1.1194 0.0000e+00 1.2000e-03 9.5579e-25 6.0000e-04 - 1 advect 7 7 31 31 6.99499 1.00743 0.0000e+00 1.2000e-03 1.1478e-22 6.0000e-04 - 1 advect 8 8 31 31 6.99499 9.68442 0.0000e+00 1.2000e-03 1.1674e-20 6.0000e-04 - 1 advect 9 9 31 31 6.99499 9.92571 0.0000e+00 1.2000e-03 1.1656e-18 6.0000e-04 - 1 advect 10 10 31 31 6.99499 9.88991 0.0000e+00 1.2000e-03 1.1386e-16 6.0000e-04 - 1 advect 11 11 31 31 6.99499 9.8285 9.2862e-25 1.2000e-03 1.1010e-14 6.0000e-04 - 1 advect 12 12 31 31 6.99499 9.91052 1.2426e-21 1.2000e-03 1.0643e-12 6.0000e-04 - 1 advect 13 13 31 31 6.99499 9.78114 1.6068e-18 1.2000e-03 1.0361e-10 6.0000e-04 - 1 advect 14 14 31 31 6.995 9.96033 2.0946e-15 1.2000e-03 1.0182e-08 5.9999e-04 - 1 advect 15 15 31 31 6.995 1.12082 2.7405e-12 1.2000e-03 1.0079e-06 5.9950e-04 + 1 advect 6 6 31 31 6.99499 10.1714 0.0000e+00 1.2000e-03 9.5666e-25 6.0000e-04 + 1 advect 7 7 31 31 6.99499 1.2167 0.0000e+00 1.2000e-03 1.1479e-22 6.0000e-04 + 1 advect 8 8 31 31 6.99499 9.80441 0.0000e+00 1.2000e-03 1.1674e-20 6.0000e-04 + 1 advect 9 9 31 31 6.99499 9.80742 0.0000e+00 1.2000e-03 1.1656e-18 6.0000e-04 + 1 advect 10 10 31 31 6.99499 9.62365 0.0000e+00 1.2000e-03 1.1386e-16 6.0000e-04 + 1 advect 11 11 31 31 6.99499 10.2297 9.2862e-25 1.2000e-03 1.1010e-14 6.0000e-04 + 1 advect 12 12 31 31 6.99499 9.90442 1.2426e-21 1.2000e-03 1.0643e-12 6.0000e-04 + 1 advect 13 13 31 31 6.99499 9.75485 1.6068e-18 1.2000e-03 1.0361e-10 6.0000e-04 + 1 advect 14 14 31 31 6.995 9.91463 2.0946e-15 1.2000e-03 1.0182e-08 5.9999e-04 + 1 advect 15 15 31 31 6.995 10.2163 2.7405e-12 1.2000e-03 1.0079e-06 5.9950e-04 1 advect 16 16 31 31 6.99515 -1.73459 3.4420e-09 1.2000e-03 9.6060e-05 5.5197e-04 - 1 advect 17 17 31 31 6.99696 -1.49782 5.5713e-07 1.2000e-03 1.1833e-03 8.0698e-06 - 1 advect 18 18 31 31 6.99699 9.82906 6.2213e-06 1.2000e-03 1.1938e-03 5.9674e-10 - 1 advect 19 19 31 31 6.99699 -1.73639 5.2854e-05 1.2000e-03 1.1471e-03 3.8701e-14 - 1 advect 20 20 31 31 6.99699 -1.64837 3.2181e-04 1.2000e-03 8.7819e-04 1.2026e-18 + 1 advect 17 17 31 31 6.99696 -1.49781 5.5713e-07 1.2000e-03 1.1833e-03 8.0698e-06 + 1 advect 18 18 31 31 6.99699 9.97295 6.2213e-06 1.2000e-03 1.1938e-03 5.9674e-10 + 1 advect 19 19 31 31 6.99699 -1.7364 5.2854e-05 1.2000e-03 1.1471e-03 3.8701e-14 + 1 advect 20 20 31 31 6.99699 -1.64836 3.2181e-04 1.2000e-03 8.7819e-04 1.2026e-18 1 advect 21 21 31 31 6.99699 -1.79887 8.1064e-04 1.2000e-03 3.8936e-04 3.0487e-24 1 advect 22 22 31 31 6.99699 -1.79887 9.7734e-04 1.2000e-03 2.2266e-04 0.0000e+00 - 1 advect 23 23 31 31 6.99699 -1.64836 9.9781e-04 1.2000e-03 2.0219e-04 0.0000e+00 - 1 advect 24 24 31 31 6.99699 -1.79887 9.9980e-04 1.2000e-03 2.0020e-04 0.0000e+00 - 1 advect 25 25 31 31 6.99699 -1.79887 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 - 1 advect 26 26 31 31 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 27 27 31 31 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 23 23 31 31 6.99699 -1.64833 9.9781e-04 1.2000e-03 2.0219e-04 0.0000e+00 + 1 advect 24 24 31 31 6.99699 -1.79888 9.9980e-04 1.2000e-03 2.0020e-04 0.0000e+00 + 1 advect 25 25 31 31 6.99699 -1.79886 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 + 1 advect 26 26 31 31 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 27 27 31 31 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 28 28 31 31 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 29 29 31 31 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 30 30 31 31 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 31 31 31 31 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 31 31 31 31 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 32 32 31 31 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 33 33 31 31 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 34 34 31 31 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1248,32 +1248,32 @@ 1 advect 4 4 32 32 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 5 5 32 32 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 6 6 32 32 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 7 7 32 32 6.99499 10.1502 0.0000e+00 1.2000e-03 1.0405e-23 6.0000e-04 - 1 advect 8 8 32 32 6.99499 0.950691 0.0000e+00 1.2000e-03 1.0655e-21 6.0000e-04 - 1 advect 9 9 32 32 6.99499 9.77428 0.0000e+00 1.2000e-03 1.0658e-19 6.0000e-04 - 1 advect 10 10 32 32 6.99499 9.94291 0.0000e+00 1.2000e-03 1.0433e-17 6.0000e-04 - 1 advect 11 11 32 32 6.99499 9.93818 0.0000e+00 1.2000e-03 1.0099e-15 6.0000e-04 - 1 advect 12 12 32 32 6.99499 9.88362 2.2740e-23 1.2000e-03 9.7629e-14 6.0000e-04 - 1 advect 13 13 32 32 6.99499 9.7661 2.9446e-20 1.2000e-03 9.4968e-12 6.0000e-04 - 1 advect 14 14 32 32 6.99499 9.86519 3.8367e-17 1.2000e-03 9.3243e-10 6.0000e-04 - 1 advect 15 15 32 32 6.995 9.96925 5.0210e-14 1.2000e-03 9.2261e-08 5.9995e-04 - 1 advect 16 16 32 32 6.99501 0.655888 6.5463e-11 1.2000e-03 9.1248e-06 5.9544e-04 + 1 advect 7 7 32 32 6.99499 9.75471 0.0000e+00 1.2000e-03 1.0426e-23 6.0000e-04 + 1 advect 8 8 32 32 6.99499 1.14423 0.0000e+00 1.2000e-03 1.0655e-21 6.0000e-04 + 1 advect 9 9 32 32 6.99499 9.8192 0.0000e+00 1.2000e-03 1.0658e-19 6.0000e-04 + 1 advect 10 10 32 32 6.99499 9.7559 0.0000e+00 1.2000e-03 1.0433e-17 6.0000e-04 + 1 advect 11 11 32 32 6.99499 10.0385 0.0000e+00 1.2000e-03 1.0099e-15 6.0000e-04 + 1 advect 12 12 32 32 6.99499 9.85957 2.2740e-23 1.2000e-03 9.7629e-14 6.0000e-04 + 1 advect 13 13 32 32 6.99499 9.91628 2.9446e-20 1.2000e-03 9.4968e-12 6.0000e-04 + 1 advect 14 14 32 32 6.99499 9.84156 3.8367e-17 1.2000e-03 9.3243e-10 6.0000e-04 + 1 advect 15 15 32 32 6.995 9.9026 5.0210e-14 1.2000e-03 9.2261e-08 5.9995e-04 + 1 advect 16 16 32 32 6.99501 9.78245 6.5463e-11 1.2000e-03 9.1248e-06 5.9544e-04 1 advect 17 17 32 32 6.99602 -1.73544 5.9276e-08 1.2000e-03 6.2767e-04 2.8614e-04 1 advect 18 18 32 32 6.99699 -1.64835 1.4398e-06 1.2000e-03 1.1984e-03 8.6133e-08 - 1 advect 19 19 32 32 6.99699 9.88865 1.3711e-05 1.2000e-03 1.1863e-03 6.0853e-12 - 1 advect 20 20 32 32 6.99699 -1.73639 1.0677e-04 1.2000e-03 1.0932e-03 3.4654e-16 - 1 advect 21 21 32 32 6.99699 -1.64837 5.0526e-04 1.2000e-03 6.9474e-04 5.4905e-21 + 1 advect 19 19 32 32 6.99699 9.97346 1.3711e-05 1.2000e-03 1.1863e-03 6.0853e-12 + 1 advect 20 20 32 32 6.99699 -1.7364 1.0677e-04 1.2000e-03 1.0932e-03 3.4654e-16 + 1 advect 21 21 32 32 6.99699 -1.64836 5.0526e-04 1.2000e-03 6.9474e-04 5.4905e-21 1 advect 22 22 32 32 6.99699 -1.79887 9.0572e-04 1.2000e-03 2.9428e-04 4.9707e-27 1 advect 23 23 32 32 6.99699 -1.79887 9.8997e-04 1.2000e-03 2.1003e-04 0.0000e+00 - 1 advect 24 24 32 32 6.99699 -1.64836 9.9905e-04 1.2000e-03 2.0095e-04 0.0000e+00 - 1 advect 25 25 32 32 6.99699 -1.79887 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 - 1 advect 26 26 32 32 6.99699 -1.79887 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 27 27 32 32 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 28 28 32 32 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 24 24 32 32 6.99699 -1.64833 9.9905e-04 1.2000e-03 2.0095e-04 0.0000e+00 + 1 advect 25 25 32 32 6.99699 -1.79888 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 + 1 advect 26 26 32 32 6.99699 -1.79886 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 27 27 32 32 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 28 28 32 32 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 29 29 32 32 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 30 30 32 32 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 31 31 32 32 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 32 32 32 32 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 32 32 32 32 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 33 33 32 32 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 34 34 32 32 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 35 35 32 32 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1288,33 +1288,33 @@ 1 advect 4 4 33 33 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 5 5 33 33 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 6 6 33 33 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 7 7 33 33 6.99499 10.0841 0.0000e+00 1.2000e-03 8.5566e-25 6.0000e-04 - 1 advect 8 8 33 33 6.99499 9.74581 0.0000e+00 1.2000e-03 9.8906e-23 6.0000e-04 - 1 advect 9 9 33 33 6.99499 1.3416 0.0000e+00 1.2000e-03 9.7442e-21 6.0000e-04 - 1 advect 10 10 33 33 6.99499 9.73889 0.0000e+00 1.2000e-03 9.5595e-19 6.0000e-04 - 1 advect 11 11 33 33 6.99499 9.95556 0.0000e+00 1.2000e-03 9.2622e-17 6.0000e-04 - 1 advect 12 12 33 33 6.99499 9.94773 3.9940e-25 1.2000e-03 8.9552e-15 6.0000e-04 - 1 advect 13 13 33 33 6.99499 9.83574 5.3960e-22 1.2000e-03 8.7056e-13 6.0000e-04 - 1 advect 14 14 33 33 6.99499 9.83955 7.0290e-19 1.2000e-03 8.5393e-11 6.0000e-04 - 1 advect 15 15 33 33 6.995 9.83412 9.1960e-16 1.2000e-03 8.4430e-09 6.0000e-04 - 1 advect 16 16 33 33 6.995 9.97509 1.2031e-12 1.2000e-03 8.3761e-07 5.9958e-04 - 1 advect 17 17 33 33 6.99512 -1.49602 1.5163e-09 1.2000e-03 8.0192e-05 5.5990e-04 - 1 advect 18 18 33 33 6.99694 -1.73635 2.9248e-07 1.2000e-03 1.1759e-03 1.1921e-05 + 1 advect 7 7 33 33 6.99499 1.21407 0.0000e+00 1.2000e-03 8.5733e-25 6.0000e-04 + 1 advect 8 8 33 33 6.99499 9.76311 0.0000e+00 1.2000e-03 9.8937e-23 6.0000e-04 + 1 advect 9 9 33 33 6.99499 1.18541 0.0000e+00 1.2000e-03 9.7442e-21 6.0000e-04 + 1 advect 10 10 33 33 6.99499 9.81865 0.0000e+00 1.2000e-03 9.5595e-19 6.0000e-04 + 1 advect 11 11 33 33 6.99499 9.75582 0.0000e+00 1.2000e-03 9.2622e-17 6.0000e-04 + 1 advect 12 12 33 33 6.99499 9.7978 3.9940e-25 1.2000e-03 8.9552e-15 6.0000e-04 + 1 advect 13 13 33 33 6.99499 9.80721 5.3960e-22 1.2000e-03 8.7056e-13 6.0000e-04 + 1 advect 14 14 33 33 6.99499 9.91864 7.0290e-19 1.2000e-03 8.5393e-11 6.0000e-04 + 1 advect 15 15 33 33 6.995 9.84286 9.1960e-16 1.2000e-03 8.4430e-09 6.0000e-04 + 1 advect 16 16 33 33 6.995 9.9364 1.2031e-12 1.2000e-03 8.3761e-07 5.9958e-04 + 1 advect 17 17 33 33 6.99512 -1.496 1.5163e-09 1.2000e-03 8.0192e-05 5.5990e-04 + 1 advect 18 18 33 33 6.99694 -1.73636 2.9248e-07 1.2000e-03 1.1759e-03 1.1921e-05 1 advect 19 19 33 33 6.99699 -1.64835 3.3556e-06 1.2000e-03 1.1966e-03 8.9096e-10 - 1 advect 20 20 33 33 6.99699 9.88452 2.9276e-05 1.2000e-03 1.1707e-03 6.0752e-14 - 1 advect 21 21 33 33 6.99699 -1.73639 2.0318e-04 1.2000e-03 9.9682e-04 2.6877e-18 - 1 advect 22 22 33 33 6.99699 -1.64837 6.8996e-04 1.2000e-03 5.1004e-04 1.6636e-23 + 1 advect 20 20 33 33 6.99699 9.96444 2.9276e-05 1.2000e-03 1.1707e-03 6.0752e-14 + 1 advect 21 21 33 33 6.99699 -1.7364 2.0318e-04 1.2000e-03 9.9682e-04 2.6877e-18 + 1 advect 22 22 33 33 6.99699 -1.64836 6.8996e-04 1.2000e-03 5.1004e-04 1.6636e-23 1 advect 23 23 33 33 6.99699 -1.79887 9.5609e-04 1.2000e-03 2.4391e-04 0.0000e+00 1 advect 24 24 33 33 6.99699 -1.79887 9.9560e-04 1.2000e-03 2.0440e-04 0.0000e+00 - 1 advect 25 25 33 33 6.99699 -1.64836 9.9959e-04 1.2000e-03 2.0041e-04 0.0000e+00 - 1 advect 26 26 33 33 6.99699 -1.79887 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 - 1 advect 27 27 33 33 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 28 28 33 33 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 29 29 33 33 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 25 25 33 33 6.99699 -1.64833 9.9959e-04 1.2000e-03 2.0041e-04 0.0000e+00 + 1 advect 26 26 33 33 6.99699 -1.79888 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 + 1 advect 27 27 33 33 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 28 28 33 33 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 29 29 33 33 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 30 30 33 33 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 31 31 33 33 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 32 32 33 33 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 33 33 33 33 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 33 33 33 33 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 34 34 33 33 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 35 35 33 33 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 36 36 33 33 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1329,33 +1329,33 @@ 1 advect 5 5 34 34 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 6 6 34 34 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 7 7 34 34 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 8 8 34 34 6.99499 9.75676 0.0000e+00 1.2000e-03 9.0253e-24 6.0000e-04 - 1 advect 9 9 34 34 6.99499 9.73981 0.0000e+00 1.2000e-03 8.9225e-22 6.0000e-04 - 1 advect 10 10 34 34 6.99499 8.52427 0.0000e+00 1.2000e-03 8.7559e-20 6.0000e-04 - 1 advect 11 11 34 34 6.99499 9.79919 0.0000e+00 1.2000e-03 8.4940e-18 6.0000e-04 - 1 advect 12 12 34 34 6.99499 9.94414 0.0000e+00 1.2000e-03 8.2142e-16 6.0000e-04 - 1 advect 13 13 34 34 6.99499 9.94413 9.8708e-24 1.2000e-03 7.9808e-14 6.0000e-04 - 1 advect 14 14 34 34 6.99499 9.83589 1.2877e-20 1.2000e-03 7.8211e-12 6.0000e-04 - 1 advect 15 15 34 34 6.99499 9.84941 1.6842e-17 1.2000e-03 7.7267e-10 6.0000e-04 - 1 advect 16 16 34 34 6.995 9.84766 2.2041e-14 1.2000e-03 7.6650e-08 5.9996e-04 - 1 advect 17 17 34 34 6.99501 9.95469 2.8657e-11 1.2000e-03 7.5705e-06 5.9621e-04 - 1 advect 18 18 34 34 6.99589 0.143555 2.7444e-08 1.2000e-03 5.5060e-04 3.2469e-04 - 1 advect 19 19 34 34 6.99698 -1.64834 7.6967e-07 1.2000e-03 1.1990e-03 1.2914e-07 + 1 advect 8 8 34 34 6.99499 1.22925 0.0000e+00 1.2000e-03 9.0301e-24 6.0000e-04 + 1 advect 9 9 34 34 6.99499 9.76722 0.0000e+00 1.2000e-03 8.9228e-22 6.0000e-04 + 1 advect 10 10 34 34 6.99499 10.0707 0.0000e+00 1.2000e-03 8.7583e-20 6.0000e-04 + 1 advect 11 11 34 34 6.99499 9.84613 0.0000e+00 1.2000e-03 8.4940e-18 6.0000e-04 + 1 advect 12 12 34 34 6.99499 9.8098 0.0000e+00 1.2000e-03 8.2142e-16 6.0000e-04 + 1 advect 13 13 34 34 6.99499 9.82677 9.8708e-24 1.2000e-03 7.9808e-14 6.0000e-04 + 1 advect 14 14 34 34 6.99499 9.84123 1.2877e-20 1.2000e-03 7.8211e-12 6.0000e-04 + 1 advect 15 15 34 34 6.99499 9.94094 1.6842e-17 1.2000e-03 7.7267e-10 6.0000e-04 + 1 advect 16 16 34 34 6.995 9.7552 2.2041e-14 1.2000e-03 7.6650e-08 5.9996e-04 + 1 advect 17 17 34 34 6.99501 9.89907 2.8657e-11 1.2000e-03 7.5705e-06 5.9621e-04 + 1 advect 18 18 34 34 6.99589 0.158162 2.7444e-08 1.2000e-03 5.5060e-04 3.2469e-04 + 1 advect 19 19 34 34 6.99698 -1.64835 7.6967e-07 1.2000e-03 1.1990e-03 1.2914e-07 1 advect 20 20 34 34 6.99699 -1.64835 7.4479e-06 1.2000e-03 1.1926e-03 9.1627e-12 - 1 advect 21 21 34 34 6.99699 9.852 6.0694e-05 1.2000e-03 1.1393e-03 5.8073e-16 - 1 advect 22 22 34 34 6.99699 -1.73639 3.5264e-04 1.2000e-03 8.4736e-04 1.6319e-20 - 1 advect 23 23 34 34 6.99699 -1.64837 8.3136e-04 1.2000e-03 3.6864e-04 3.4334e-26 + 1 advect 21 21 34 34 6.99699 9.9862 6.0694e-05 1.2000e-03 1.1393e-03 5.8073e-16 + 1 advect 22 22 34 34 6.99699 -1.7364 3.5264e-04 1.2000e-03 8.4736e-04 1.6319e-20 + 1 advect 23 23 34 34 6.99699 -1.64836 8.3136e-04 1.2000e-03 3.6864e-04 3.4334e-26 1 advect 24 24 34 34 6.99699 -1.79887 9.8025e-04 1.2000e-03 2.1975e-04 0.0000e+00 1 advect 25 25 34 34 6.99699 -1.79887 9.9808e-04 1.2000e-03 2.0192e-04 0.0000e+00 - 1 advect 26 26 34 34 6.99699 -1.64836 9.9982e-04 1.2000e-03 2.0018e-04 0.0000e+00 - 1 advect 27 27 34 34 6.99699 -1.79887 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 - 1 advect 28 28 34 34 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 29 29 34 34 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 30 30 34 34 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 26 26 34 34 6.99699 -1.64833 9.9982e-04 1.2000e-03 2.0018e-04 0.0000e+00 + 1 advect 27 27 34 34 6.99699 -1.79888 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 + 1 advect 28 28 34 34 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 29 29 34 34 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 30 30 34 34 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 31 31 34 34 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 32 32 34 34 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 33 33 34 34 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 34 34 34 34 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 34 34 34 34 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 35 35 34 34 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 36 36 34 34 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 37 37 34 34 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1369,34 +1369,34 @@ 1 advect 5 5 35 35 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 6 6 35 35 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 7 7 35 35 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 8 8 35 35 6.99499 1.25057 0.0000e+00 1.2000e-03 7.4219e-25 6.0000e-04 - 1 advect 9 9 35 35 6.99499 9.74095 0.0000e+00 1.2000e-03 8.3286e-23 6.0000e-04 - 1 advect 10 10 35 35 6.99499 9.78279 0.0000e+00 1.2000e-03 8.0208e-21 6.0000e-04 - 1 advect 11 11 35 35 6.99499 9.76342 0.0000e+00 1.2000e-03 7.7903e-19 6.0000e-04 - 1 advect 12 12 35 35 6.99499 9.84262 0.0000e+00 1.2000e-03 7.5344e-17 6.0000e-04 - 1 advect 13 13 35 35 6.99499 9.96661 1.7337e-25 1.2000e-03 7.3168e-15 6.0000e-04 - 1 advect 14 14 35 35 6.99499 9.94083 2.3590e-22 1.2000e-03 7.1640e-13 6.0000e-04 - 1 advect 15 15 35 35 6.99499 9.81059 3.0851e-19 1.2000e-03 7.0717e-11 6.0000e-04 - 1 advect 16 16 35 35 6.995 9.86317 4.0368e-16 1.2000e-03 7.0125e-09 6.0000e-04 + 1 advect 8 8 35 35 6.99499 10.1715 0.0000e+00 1.2000e-03 7.4258e-25 6.0000e-04 + 1 advect 9 9 35 35 6.99499 1.15833 0.0000e+00 1.2000e-03 8.3296e-23 6.0000e-04 + 1 advect 10 10 35 35 6.99499 9.7334 0.0000e+00 1.2000e-03 8.0228e-21 6.0000e-04 + 1 advect 11 11 35 35 6.99499 9.75634 0.0000e+00 1.2000e-03 7.7904e-19 6.0000e-04 + 1 advect 12 12 35 35 6.99499 9.86505 0.0000e+00 1.2000e-03 7.5344e-17 6.0000e-04 + 1 advect 13 13 35 35 6.99499 9.8823 1.7337e-25 1.2000e-03 7.3168e-15 6.0000e-04 + 1 advect 14 14 35 35 6.99499 9.81343 2.3590e-22 1.2000e-03 7.1640e-13 6.0000e-04 + 1 advect 15 15 35 35 6.99499 9.85677 3.0851e-19 1.2000e-03 7.0717e-11 6.0000e-04 + 1 advect 16 16 35 35 6.995 9.92723 4.0368e-16 1.2000e-03 7.0125e-09 6.0000e-04 1 advect 17 17 35 35 6.995 -1.49588 5.2642e-13 1.2000e-03 6.9466e-07 5.9965e-04 - 1 advect 18 18 35 35 6.9951 -1.49596 6.6344e-10 1.2000e-03 6.6508e-05 5.6675e-04 - 1 advect 19 19 35 35 6.99692 -1.49779 1.5315e-07 1.2000e-03 1.1644e-03 1.7717e-05 - 1 advect 20 20 35 35 6.99699 -1.49782 1.8077e-06 1.2000e-03 1.1982e-03 1.3388e-09 + 1 advect 18 18 35 35 6.9951 -1.49597 6.6344e-10 1.2000e-03 6.6508e-05 5.6675e-04 + 1 advect 19 19 35 35 6.99692 -1.49778 1.5315e-07 1.2000e-03 1.1644e-03 1.7717e-05 + 1 advect 20 20 35 35 6.99699 -1.49784 1.8077e-06 1.2000e-03 1.1982e-03 1.3388e-09 1 advect 21 21 35 35 6.99699 -1.64835 1.6050e-05 1.2000e-03 1.1840e-03 9.3137e-14 - 1 advect 22 22 35 35 6.99699 9.75328 1.2096e-04 1.2000e-03 1.0790e-03 5.0944e-18 - 1 advect 23 23 35 35 6.99699 -1.73639 5.3974e-04 1.2000e-03 6.6026e-04 6.9477e-23 - 1 advect 24 24 35 35 6.99699 -1.64837 9.1719e-04 1.2000e-03 2.8281e-04 0.0000e+00 + 1 advect 22 22 35 35 6.99699 9.98608 1.2096e-04 1.2000e-03 1.0790e-03 5.0944e-18 + 1 advect 23 23 35 35 6.99699 -1.7364 5.3974e-04 1.2000e-03 6.6026e-04 6.9477e-23 + 1 advect 24 24 35 35 6.99699 -1.64836 9.1719e-04 1.2000e-03 2.8281e-04 0.0000e+00 1 advect 25 25 35 35 6.99699 -1.79887 9.9126e-04 1.2000e-03 2.0874e-04 0.0000e+00 1 advect 26 26 35 35 6.99699 -1.79887 9.9916e-04 1.2000e-03 2.0084e-04 0.0000e+00 - 1 advect 27 27 35 35 6.99699 -1.64836 9.9992e-04 1.2000e-03 2.0008e-04 0.0000e+00 - 1 advect 28 28 35 35 6.99699 -1.79887 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 29 29 35 35 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 30 30 35 35 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 31 31 35 35 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 27 27 35 35 6.99699 -1.64833 9.9992e-04 1.2000e-03 2.0008e-04 0.0000e+00 + 1 advect 28 28 35 35 6.99699 -1.79888 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 29 29 35 35 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 30 30 35 35 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 31 31 35 35 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 32 32 35 35 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 33 33 35 35 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 34 34 35 35 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 35 35 35 35 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 35 35 35 35 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 36 36 35 35 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 37 37 35 35 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 38 38 35 35 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1410,34 +1410,34 @@ 1 advect 6 6 36 36 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 7 7 36 36 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 8 8 36 36 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 9 9 36 36 6.99499 1.20456 0.0000e+00 1.2000e-03 7.6298e-24 6.0000e-04 - 1 advect 10 10 36 36 6.99499 9.7541 0.0000e+00 1.2000e-03 7.3618e-22 6.0000e-04 - 1 advect 11 11 36 36 6.99499 9.7921 0.0000e+00 1.2000e-03 7.1439e-20 6.0000e-04 - 1 advect 12 12 36 36 6.99499 9.72345 0.0000e+00 1.2000e-03 6.9108e-18 6.0000e-04 - 1 advect 13 13 36 36 6.99499 9.87888 0.0000e+00 1.2000e-03 6.7083e-16 6.0000e-04 - 1 advect 14 14 36 36 6.99499 9.98624 4.3141e-24 1.2000e-03 6.5628e-14 6.0000e-04 - 1 advect 15 15 36 36 6.99499 9.95892 5.6510e-21 1.2000e-03 6.4728e-12 6.0000e-04 - 1 advect 16 16 36 36 6.99499 9.68373 7.3933e-18 1.2000e-03 6.4157e-10 6.0000e-04 - 1 advect 17 17 36 36 6.995 -1.49587 9.6449e-15 1.2000e-03 6.3575e-08 5.9997e-04 - 1 advect 18 18 36 36 6.99501 -1.49588 1.2473e-11 1.2000e-03 6.2480e-06 5.9688e-04 - 1 advect 19 19 36 36 6.99577 0.604868 1.2514e-08 1.2000e-03 4.7534e-04 3.6232e-04 - 1 advect 20 20 36 36 6.99698 0.485666 4.1125e-07 1.2000e-03 1.1992e-03 1.9613e-07 - 1 advect 21 21 36 36 6.99699 -1.49782 4.0350e-06 1.2000e-03 1.1960e-03 1.3831e-11 + 1 advect 9 9 36 36 6.99499 9.76965 0.0000e+00 1.2000e-03 7.6311e-24 6.0000e-04 + 1 advect 10 10 36 36 6.99499 1.08485 0.0000e+00 1.2000e-03 7.3636e-22 6.0000e-04 + 1 advect 11 11 36 36 6.99499 9.7043 0.0000e+00 1.2000e-03 7.1442e-20 6.0000e-04 + 1 advect 12 12 36 36 6.99499 9.6748 0.0000e+00 1.2000e-03 6.9108e-18 6.0000e-04 + 1 advect 13 13 36 36 6.99499 9.87442 0.0000e+00 1.2000e-03 6.7083e-16 6.0000e-04 + 1 advect 14 14 36 36 6.99499 9.77971 4.3141e-24 1.2000e-03 6.5628e-14 6.0000e-04 + 1 advect 15 15 36 36 6.99499 9.79363 5.6510e-21 1.2000e-03 6.4728e-12 6.0000e-04 + 1 advect 16 16 36 36 6.99499 9.83858 7.3933e-18 1.2000e-03 6.4157e-10 6.0000e-04 + 1 advect 17 17 36 36 6.995 -1.49586 9.6449e-15 1.2000e-03 6.3575e-08 5.9997e-04 + 1 advect 18 18 36 36 6.99501 -1.49589 1.2473e-11 1.2000e-03 6.2480e-06 5.9688e-04 + 1 advect 19 19 36 36 6.99577 0.493475 1.2514e-08 1.2000e-03 4.7534e-04 3.6232e-04 + 1 advect 20 20 36 36 6.99698 0.567254 4.1125e-07 1.2000e-03 1.1992e-03 1.9613e-07 + 1 advect 21 21 36 36 6.99699 -1.49784 4.0350e-06 1.2000e-03 1.1960e-03 1.3831e-11 1 advect 22 22 36 36 6.99699 -1.64835 3.3793e-05 1.2000e-03 1.1662e-03 9.2407e-16 - 1 advect 23 23 36 36 6.99699 9.80973 2.2644e-04 1.2000e-03 9.7356e-04 3.8106e-20 - 1 advect 24 24 36 36 6.99699 -1.73639 7.1912e-04 1.2000e-03 4.8088e-04 1.9553e-25 + 1 advect 23 23 36 36 6.99699 9.99795 2.2644e-04 1.2000e-03 9.7356e-04 3.8106e-20 + 1 advect 24 24 36 36 6.99699 -1.7364 7.1912e-04 1.2000e-03 4.8088e-04 1.9553e-25 1 advect 25 25 36 36 6.99699 -1.64836 9.6170e-04 1.2000e-03 2.3830e-04 0.0000e+00 1 advect 26 26 36 36 6.99699 -1.79887 9.9616e-04 1.2000e-03 2.0384e-04 0.0000e+00 1 advect 27 27 36 36 6.99699 -1.79887 9.9964e-04 1.2000e-03 2.0036e-04 0.0000e+00 - 1 advect 28 28 36 36 6.99699 -1.64836 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 - 1 advect 29 29 36 36 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 30 30 36 36 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 31 31 36 36 6.99699 -1.49783 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 32 32 36 36 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 28 28 36 36 6.99699 -1.64833 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 + 1 advect 29 29 36 36 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 30 30 36 36 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 31 31 36 36 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 32 32 36 36 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 33 33 36 36 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 34 34 36 36 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 35 35 36 36 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 36 36 36 36 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 36 36 36 36 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 37 37 36 36 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 38 38 36 36 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 36 36 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1450,35 +1450,35 @@ 1 advect 6 6 37 37 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 7 7 37 37 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 8 8 37 37 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 9 9 37 37 6.99499 9.81293 0.0000e+00 1.2000e-03 6.2743e-25 6.0000e-04 - 1 advect 10 10 37 37 6.99499 1.12466 0.0000e+00 1.2000e-03 6.8993e-23 6.0000e-04 - 1 advect 11 11 37 37 6.99499 9.76495 0.0000e+00 1.2000e-03 6.5518e-21 6.0000e-04 - 1 advect 12 12 37 37 6.99499 9.86881 0.0000e+00 1.2000e-03 6.3401e-19 6.0000e-04 - 1 advect 13 13 37 37 6.99499 9.69081 0.0000e+00 1.2000e-03 6.1508e-17 6.0000e-04 - 1 advect 14 14 37 37 6.99499 9.89879 0.0000e+00 1.2000e-03 6.0125e-15 6.0000e-04 - 1 advect 15 15 37 37 6.99499 9.99061 1.0350e-22 1.2000e-03 5.9252e-13 6.0000e-04 - 1 advect 16 16 37 37 6.99499 9.97626 1.3542e-19 1.2000e-03 5.8699e-11 6.0000e-04 - 1 advect 17 17 37 37 6.995 0.695933 1.7667e-16 1.2000e-03 5.8169e-09 6.0000e-04 + 1 advect 9 9 37 37 6.99499 9.75738 0.0000e+00 1.2000e-03 6.2753e-25 6.0000e-04 + 1 advect 10 10 37 37 6.99499 9.73912 0.0000e+00 1.2000e-03 6.9009e-23 6.0000e-04 + 1 advect 11 11 37 37 6.99499 1.22259 0.0000e+00 1.2000e-03 6.5522e-21 6.0000e-04 + 1 advect 12 12 37 37 6.99499 9.83068 0.0000e+00 1.2000e-03 6.3401e-19 6.0000e-04 + 1 advect 13 13 37 37 6.99499 10.5619 0.0000e+00 1.2000e-03 6.1508e-17 6.0000e-04 + 1 advect 14 14 37 37 6.99499 9.87834 0.0000e+00 1.2000e-03 6.0125e-15 6.0000e-04 + 1 advect 15 15 37 37 6.99499 9.73169 1.0350e-22 1.2000e-03 5.9252e-13 6.0000e-04 + 1 advect 16 16 37 37 6.99499 9.8359 1.3542e-19 1.2000e-03 5.8699e-11 6.0000e-04 + 1 advect 17 17 37 37 6.995 9.73972 1.7667e-16 1.2000e-03 5.8169e-09 6.0000e-04 1 advect 18 18 37 37 6.995 -1.49587 2.2906e-13 1.2000e-03 5.7335e-07 5.9971e-04 1 advect 19 19 37 37 6.99508 -1.49597 2.8803e-10 1.2000e-03 5.4703e-05 5.7265e-04 - 1 advect 20 20 37 37 6.99689 9.97205 7.9902e-08 1.2000e-03 1.1471e-03 2.6403e-05 - 1 advect 21 21 37 37 6.99699 0.627076 9.7319e-07 1.2000e-03 1.1990e-03 2.0357e-09 - 1 advect 22 22 37 37 6.99699 -1.49782 8.7487e-06 1.2000e-03 1.1913e-03 1.4198e-13 + 1 advect 20 20 37 37 6.99689 10.5168 7.9902e-08 1.2000e-03 1.1471e-03 2.6403e-05 + 1 advect 21 21 37 37 6.99699 0.366703 9.7319e-07 1.2000e-03 1.1990e-03 2.0357e-09 + 1 advect 22 22 37 37 6.99699 -1.49784 8.7487e-06 1.2000e-03 1.1913e-03 1.4198e-13 1 advect 23 23 37 37 6.99699 -1.64835 6.9290e-05 1.2000e-03 1.1307e-03 8.7273e-18 - 1 advect 24 24 37 37 6.99699 9.81982 3.8461e-04 1.2000e-03 8.1539e-04 2.1869e-22 - 1 advect 25 25 37 37 6.99699 -1.73639 8.5037e-04 1.2000e-03 3.4963e-04 3.8092e-28 - 1 advect 26 26 37 37 6.99699 -1.64837 9.8282e-04 1.2000e-03 2.1718e-04 0.0000e+00 + 1 advect 24 24 37 37 6.99699 10.0041 3.8461e-04 1.2000e-03 8.1539e-04 2.1869e-22 + 1 advect 25 25 37 37 6.99699 -1.7364 8.5037e-04 1.2000e-03 3.4963e-04 3.8092e-28 + 1 advect 26 26 37 37 6.99699 -1.64836 9.8282e-04 1.2000e-03 2.1718e-04 0.0000e+00 1 advect 27 27 37 37 6.99699 -1.79887 9.9832e-04 1.2000e-03 2.0168e-04 0.0000e+00 1 advect 28 28 37 37 6.99699 -1.79887 9.9984e-04 1.2000e-03 2.0016e-04 0.0000e+00 - 1 advect 29 29 37 37 6.99699 -1.64836 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 30 30 37 37 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 31 31 37 37 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 32 32 37 37 6.99699 -1.49783 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 33 33 37 37 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 29 29 37 37 6.99699 -1.64833 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 30 30 37 37 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 31 31 37 37 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 32 32 37 37 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 33 33 37 37 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 34 34 37 37 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 35 35 37 37 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 36 36 37 37 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 37 37 37 37 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 37 37 37 37 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 38 38 37 37 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 39 39 37 37 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 37 37 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 @@ -1491,35 +1491,35 @@ 1 advect 7 7 38 38 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 8 8 38 38 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 9 9 38 38 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 10 10 38 38 6.99499 9.81249 0.0000e+00 1.2000e-03 6.3380e-24 6.0000e-04 - 1 advect 11 11 38 38 6.99499 0.86144 0.0000e+00 1.2000e-03 6.0224e-22 6.0000e-04 - 1 advect 12 12 38 38 6.99499 9.81806 0.0000e+00 1.2000e-03 5.8162e-20 6.0000e-04 - 1 advect 13 13 38 38 6.99499 9.8872 0.0000e+00 1.2000e-03 5.6399e-18 6.0000e-04 - 1 advect 14 14 38 38 6.99499 9.75721 0.0000e+00 1.2000e-03 5.5088e-16 6.0000e-04 - 1 advect 15 15 38 38 6.99499 9.90175 1.8180e-24 1.2000e-03 5.4243e-14 6.0000e-04 - 1 advect 16 16 38 38 6.99499 10.004 2.4806e-21 1.2000e-03 5.3708e-12 6.0000e-04 - 1 advect 17 17 38 38 6.99499 9.97174 3.2361e-18 1.2000e-03 5.3222e-10 6.0000e-04 + 1 advect 10 10 38 38 6.99499 9.81503 0.0000e+00 1.2000e-03 6.3394e-24 6.0000e-04 + 1 advect 11 11 38 38 6.99499 9.75084 0.0000e+00 1.2000e-03 6.0229e-22 6.0000e-04 + 1 advect 12 12 38 38 6.99499 1.08256 0.0000e+00 1.2000e-03 5.8151e-20 6.0000e-04 + 1 advect 13 13 38 38 6.99499 9.87419 0.0000e+00 1.2000e-03 5.6399e-18 6.0000e-04 + 1 advect 14 14 38 38 6.99499 9.84309 0.0000e+00 1.2000e-03 5.5088e-16 6.0000e-04 + 1 advect 15 15 38 38 6.99499 10.1345 1.8180e-24 1.2000e-03 5.4243e-14 6.0000e-04 + 1 advect 16 16 38 38 6.99499 9.79612 2.4806e-21 1.2000e-03 5.3708e-12 6.0000e-04 + 1 advect 17 17 38 38 6.99499 9.87083 3.2361e-18 1.2000e-03 5.3222e-10 6.0000e-04 1 advect 18 18 38 38 6.995 -1.49588 4.1977e-15 1.2000e-03 5.2497e-08 5.9997e-04 1 advect 19 19 38 38 6.995 -1.49588 5.3915e-12 1.2000e-03 5.1195e-06 5.9744e-04 1 advect 20 20 38 38 6.99565 -1.64704 5.6269e-09 1.2000e-03 4.0400e-04 3.9800e-04 - 1 advect 21 21 38 38 6.99698 10.9107 2.1967e-07 1.2000e-03 1.1992e-03 3.0191e-07 - 1 advect 22 22 38 38 6.99699 -1.49786 2.1829e-06 1.2000e-03 1.1978e-03 2.1081e-11 - 1 advect 23 23 38 38 6.99699 -1.49783 1.8593e-05 1.2000e-03 1.1814e-03 1.4381e-15 + 1 advect 21 21 38 38 6.99698 10.9244 2.1967e-07 1.2000e-03 1.1992e-03 3.0191e-07 + 1 advect 22 22 38 38 6.99699 -1.49783 2.1829e-06 1.2000e-03 1.1978e-03 2.1081e-11 + 1 advect 23 23 38 38 6.99699 -1.49785 1.8593e-05 1.2000e-03 1.1814e-03 1.4381e-15 1 advect 24 24 38 38 6.99699 -1.64835 1.3645e-04 1.2000e-03 1.0635e-03 7.4842e-20 - 1 advect 25 25 38 38 6.99699 9.78098 5.7392e-04 1.2000e-03 6.2608e-04 8.6609e-25 - 1 advect 26 26 38 38 6.99699 -1.73639 9.2747e-04 1.2000e-03 2.7253e-04 0.0000e+00 - 1 advect 27 27 38 38 6.99699 -1.64837 9.9240e-04 1.2000e-03 2.0760e-04 0.0000e+00 + 1 advect 25 25 38 38 6.99699 9.99882 5.7392e-04 1.2000e-03 6.2608e-04 8.6609e-25 + 1 advect 26 26 38 38 6.99699 -1.7364 9.2747e-04 1.2000e-03 2.7253e-04 0.0000e+00 + 1 advect 27 27 38 38 6.99699 -1.64836 9.9240e-04 1.2000e-03 2.0760e-04 0.0000e+00 1 advect 28 28 38 38 6.99699 -1.79887 9.9927e-04 1.2000e-03 2.0073e-04 0.0000e+00 1 advect 29 29 38 38 6.99699 -1.79887 9.9993e-04 1.2000e-03 2.0007e-04 0.0000e+00 - 1 advect 30 30 38 38 6.99699 -1.64836 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 31 31 38 38 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 32 32 38 38 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 33 33 38 38 6.99699 -1.49783 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 34 34 38 38 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 30 30 38 38 6.99699 -1.64833 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 31 31 38 38 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 32 32 38 38 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 33 33 38 38 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 34 34 38 38 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 35 35 38 38 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 36 36 38 38 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 37 37 38 38 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 38 38 38 38 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 38 38 38 38 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 39 39 38 38 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 40 40 38 38 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 1 1 39 39 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1531,36 +1531,36 @@ 1 advect 7 7 39 39 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 8 8 39 39 6.99499 8 0.0000e+00 1.2000e-03 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2.1756e-13 - 1 advect 24 24 39 39 6.99699 -1.49783 3.8770e-05 1.2000e-03 1.1612e-03 1.4170e-17 + 1 advect 21 21 39 39 6.99685 -1.64822 4.1477e-08 1.2000e-03 1.1218e-03 3.9085e-05 + 1 advect 22 22 39 39 6.99699 10.3818 5.2373e-07 1.2000e-03 1.1995e-03 3.1366e-09 + 1 advect 23 23 39 39 6.99699 -1.49783 4.7539e-06 1.2000e-03 1.1952e-03 2.1756e-13 + 1 advect 24 24 39 39 6.99699 -1.49785 3.8770e-05 1.2000e-03 1.1612e-03 1.4170e-17 1 advect 25 25 39 39 6.99699 -1.64835 2.5132e-04 1.2000e-03 9.4868e-04 5.3815e-22 - 1 advect 26 26 39 39 6.99699 9.72274 7.4668e-04 1.2000e-03 4.5332e-04 2.2684e-27 - 1 advect 27 27 39 39 6.99699 -1.73639 9.6667e-04 1.2000e-03 2.3333e-04 0.0000e+00 + 1 advect 26 26 39 39 6.99699 9.98948 7.4668e-04 1.2000e-03 4.5332e-04 2.2684e-27 + 1 advect 27 27 39 39 6.99699 -1.7364 9.6667e-04 1.2000e-03 2.3333e-04 0.0000e+00 1 advect 28 28 39 39 6.99699 -1.64836 9.9666e-04 1.2000e-03 2.0334e-04 0.0000e+00 1 advect 29 29 39 39 6.99699 -1.79887 9.9968e-04 1.2000e-03 2.0032e-04 0.0000e+00 - 1 advect 30 30 39 39 6.99699 -1.79886 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 - 1 advect 31 31 39 39 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 32 32 39 39 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 33 33 39 39 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 34 34 39 39 6.99699 -1.49782 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 35 35 39 39 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 30 30 39 39 6.99699 -1.79887 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 + 1 advect 31 31 39 39 6.99699 -1.64833 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 32 32 39 39 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 33 33 39 39 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 34 34 39 39 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 35 35 39 39 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 36 36 39 39 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 37 37 39 39 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 38 38 39 39 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 39 39 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 39 39 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 40 40 39 39 7.01804 12.5281 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1 advect 1 1 40 40 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 40 40 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1572,36 +1572,36 @@ 1 advect 8 8 40 40 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 9 9 40 40 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 10 10 40 40 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 11 11 40 40 6.99499 9.99106 0.0000e+00 1.2000e-03 5.2077e-24 6.0000e-04 - 1 advect 12 12 40 40 6.99499 9.84427 0.0000e+00 1.2000e-03 4.9093e-22 6.0000e-04 - 1 advect 13 13 40 40 6.99499 9.74603 0.0000e+00 1.2000e-03 4.7445e-20 6.0000e-04 - 1 advect 14 14 40 40 6.99499 9.81117 0.0000e+00 1.2000e-03 4.6256e-18 6.0000e-04 - 1 advect 15 15 40 40 6.99499 9.89345 0.0000e+00 1.2000e-03 4.5471e-16 6.0000e-04 - 1 advect 16 16 40 40 6.99499 10.1325 7.9667e-25 1.2000e-03 4.4971e-14 6.0000e-04 - 1 advect 17 17 40 40 6.99499 9.94526 1.0859e-21 1.2000e-03 4.4554e-12 6.0000e-04 - 1 advect 18 18 40 40 6.99499 9.99946 1.4091e-18 1.2000e-03 4.3987e-10 6.0000e-04 - 1 advect 19 19 40 40 6.995 -1.49584 1.8147e-15 1.2000e-03 4.3065e-08 5.9998e-04 - 1 advect 20 20 40 40 6.995 -1.49589 2.3158e-12 1.2000e-03 4.1625e-06 5.9792e-04 + 1 advect 11 11 40 40 6.99499 9.95091 0.0000e+00 1.2000e-03 5.4450e-24 6.0000e-04 + 1 advect 12 12 40 40 6.99499 9.82218 0.0000e+00 1.2000e-03 4.9086e-22 6.0000e-04 + 1 advect 13 13 40 40 6.99499 9.79345 0.0000e+00 1.2000e-03 4.7440e-20 6.0000e-04 + 1 advect 14 14 40 40 6.99499 9.21441 0.0000e+00 1.2000e-03 4.6256e-18 6.0000e-04 + 1 advect 15 15 40 40 6.99499 9.9087 0.0000e+00 1.2000e-03 4.5471e-16 6.0000e-04 + 1 advect 16 16 40 40 6.99499 10.1814 7.9667e-25 1.2000e-03 4.4971e-14 6.0000e-04 + 1 advect 17 17 40 40 6.99499 9.90655 1.0859e-21 1.2000e-03 4.4554e-12 6.0000e-04 + 1 advect 18 18 40 40 6.99499 9.81772 1.4091e-18 1.2000e-03 4.3987e-10 6.0000e-04 + 1 advect 19 19 40 40 6.995 -1.49587 1.8147e-15 1.2000e-03 4.3065e-08 5.9998e-04 + 1 advect 20 20 40 40 6.995 -1.49588 2.3158e-12 1.2000e-03 4.1625e-06 5.9792e-04 1 advect 21 21 40 40 6.99554 -1.64693 2.5036e-09 1.2000e-03 3.3892e-04 4.3054e-04 - 1 advect 22 22 40 40 6.99698 -1.64835 1.1730e-07 1.2000e-03 1.1989e-03 4.6896e-07 - 1 advect 23 23 40 40 6.99699 9.94282 1.1800e-06 1.2000e-03 1.1988e-03 3.2522e-11 - 1 advect 24 24 40 40 6.99699 -1.49785 1.0162e-05 1.2000e-03 1.1898e-03 2.2288e-15 - 1 advect 25 25 40 40 6.99699 -1.49783 7.8784e-05 1.2000e-03 1.1212e-03 1.3204e-19 + 1 advect 22 22 40 40 6.99698 -1.64836 1.1730e-07 1.2000e-03 1.1989e-03 4.6896e-07 + 1 advect 23 23 40 40 6.99699 9.85881 1.1800e-06 1.2000e-03 1.1988e-03 3.2522e-11 + 1 advect 24 24 40 40 6.99699 -1.49783 1.0162e-05 1.2000e-03 1.1898e-03 2.2288e-15 + 1 advect 25 25 40 40 6.99699 -1.49784 7.8784e-05 1.2000e-03 1.1212e-03 1.3204e-19 1 advect 26 26 40 40 6.99699 -1.64835 4.1756e-04 1.2000e-03 7.8244e-04 2.9092e-24 - 1 advect 27 27 40 40 6.99699 9.75033 8.6770e-04 1.2000e-03 3.3230e-04 0.0000e+00 - 1 advect 28 28 40 40 6.99699 -1.73639 9.8509e-04 1.2000e-03 2.1491e-04 0.0000e+00 + 1 advect 27 27 40 40 6.99699 9.99185 8.6770e-04 1.2000e-03 3.3230e-04 0.0000e+00 + 1 advect 28 28 40 40 6.99699 -1.7364 9.8509e-04 1.2000e-03 2.1491e-04 0.0000e+00 1 advect 29 29 40 40 6.99699 -1.64836 9.9854e-04 1.2000e-03 2.0146e-04 0.0000e+00 1 advect 30 30 40 40 6.99699 -1.79887 9.9986e-04 1.2000e-03 2.0014e-04 0.0000e+00 - 1 advect 31 31 40 40 6.99699 -1.79886 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 32 32 40 40 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 33 33 40 40 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 34 34 40 40 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 35 35 40 40 6.99699 -1.49782 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 36 36 40 40 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 31 31 40 40 6.99699 -1.79887 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 32 32 40 40 6.99699 -1.64833 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 33 33 40 40 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 34 34 40 40 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 35 35 40 40 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 36 36 40 40 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 37 37 40 40 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 38 38 40 40 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 39 39 40 40 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 40 40 6.99699 -1.49784 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 40 40 6.99699 -1.49787 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 41 41 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 41 41 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 41 41 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1612,33 +1612,33 @@ 1 advect 8 8 41 41 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 9 9 41 41 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 10 10 41 41 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 11 11 41 41 6.99499 9.78358 0.0000e+00 1.2000e-03 4.2824e-25 6.0000e-04 - 1 advect 12 12 41 41 6.99499 9.67664 0.0000e+00 1.2000e-03 4.6191e-23 6.0000e-04 - 1 advect 13 13 41 41 6.99499 9.83932 0.0000e+00 1.2000e-03 4.3531e-21 6.0000e-04 - 1 advect 14 14 41 41 6.99499 9.76402 0.0000e+00 1.2000e-03 4.2401e-19 6.0000e-04 - 1 advect 15 15 41 41 6.99499 9.81939 0.0000e+00 1.2000e-03 4.1638e-17 6.0000e-04 - 1 advect 16 16 41 41 6.99499 9.91425 0.0000e+00 1.2000e-03 4.1154e-15 6.0000e-04 - 1 advect 17 17 41 41 6.99499 9.86315 1.9857e-23 1.2000e-03 4.0766e-13 6.0000e-04 - 1 advect 18 18 41 41 6.99499 9.9366 2.5819e-20 1.2000e-03 4.0261e-11 6.0000e-04 - 1 advect 19 19 41 41 6.99499 10.0052 3.3259e-17 1.2000e-03 3.9452e-09 6.0000e-04 - 1 advect 20 20 41 41 6.995 -0.361447 4.2522e-14 1.2000e-03 3.8236e-07 5.9981e-04 - 1 advect 21 21 41 41 6.99505 -1.64646 5.3334e-11 1.2000e-03 3.6149e-05 5.8193e-04 + 1 advect 11 11 41 41 6.99499 10.1463 0.0000e+00 1.2000e-03 4.4776e-25 6.0000e-04 + 1 advect 12 12 41 41 6.99499 9.75071 0.0000e+00 1.2000e-03 4.6554e-23 6.0000e-04 + 1 advect 13 13 41 41 6.99499 9.84628 0.0000e+00 1.2000e-03 4.3526e-21 6.0000e-04 + 1 advect 14 14 41 41 6.99499 9.83757 0.0000e+00 1.2000e-03 4.2400e-19 6.0000e-04 + 1 advect 15 15 41 41 6.99499 0.916962 0.0000e+00 1.2000e-03 4.1638e-17 6.0000e-04 + 1 advect 16 16 41 41 6.99499 9.89516 0.0000e+00 1.2000e-03 4.1154e-15 6.0000e-04 + 1 advect 17 17 41 41 6.99499 9.77318 1.9857e-23 1.2000e-03 4.0766e-13 6.0000e-04 + 1 advect 18 18 41 41 6.99499 9.88301 2.5819e-20 1.2000e-03 4.0261e-11 6.0000e-04 + 1 advect 19 19 41 41 6.99499 9.86631 3.3259e-17 1.2000e-03 3.9452e-09 6.0000e-04 + 1 advect 20 20 41 41 6.995 -0.36468 4.2522e-14 1.2000e-03 3.8236e-07 5.9981e-04 + 1 advect 21 21 41 41 6.99505 -1.64645 5.3334e-11 1.2000e-03 3.6149e-05 5.8193e-04 1 advect 22 22 41 41 6.99679 -1.64816 2.1379e-08 1.2000e-03 1.0866e-03 5.6676e-05 1 advect 23 23 41 41 6.99699 -1.7364 2.8178e-07 1.2000e-03 1.1997e-03 4.8762e-09 - 1 advect 24 24 41 41 6.99699 9.94352 2.5788e-06 1.2000e-03 1.1974e-03 3.3657e-13 - 1 advect 25 25 41 41 6.99699 -1.49785 2.1400e-05 1.2000e-03 1.1786e-03 2.2488e-17 - 1 advect 26 26 41 41 6.99699 -1.49783 1.5339e-04 1.2000e-03 1.0466e-03 1.1043e-21 + 1 advect 24 24 41 41 6.99699 8.93289 2.5788e-06 1.2000e-03 1.1974e-03 3.3657e-13 + 1 advect 25 25 41 41 6.99699 -1.49782 2.1400e-05 1.2000e-03 1.1786e-03 2.2488e-17 + 1 advect 26 26 41 41 6.99699 -1.49784 1.5339e-04 1.2000e-03 1.0466e-03 1.1043e-21 1 advect 27 27 41 41 6.99699 -1.64835 6.0752e-04 1.2000e-03 5.9248e-04 1.0693e-26 - 1 advect 28 28 41 41 6.99699 9.94271 9.3661e-04 1.2000e-03 2.6339e-04 0.0000e+00 - 1 advect 29 29 41 41 6.99699 -1.73639 9.9341e-04 1.2000e-03 2.0659e-04 0.0000e+00 + 1 advect 28 28 41 41 6.99699 10.0003 9.3661e-04 1.2000e-03 2.6339e-04 0.0000e+00 + 1 advect 29 29 41 41 6.99699 -1.7364 9.9341e-04 1.2000e-03 2.0659e-04 0.0000e+00 1 advect 30 30 41 41 6.99699 -1.64836 9.9936e-04 1.2000e-03 2.0064e-04 0.0000e+00 1 advect 31 31 41 41 6.99699 -1.79887 9.9994e-04 1.2000e-03 2.0006e-04 0.0000e+00 - 1 advect 32 32 41 41 6.99699 -1.79886 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 33 33 41 41 6.99699 -1.64836 1.0000e-03 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1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 40 40 41 41 6.99699 10.9107 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 @@ -1653,33 +1653,33 @@ 1 advect 9 9 42 42 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 10 10 42 42 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 11 11 42 42 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 12 12 42 42 6.99499 9.77127 0.0000e+00 1.2000e-03 4.2548e-24 6.0000e-04 - 1 advect 13 13 42 42 6.99499 9.75677 0.0000e+00 1.2000e-03 4.0046e-22 6.0000e-04 - 1 advect 14 14 42 42 6.99499 9.86201 0.0000e+00 1.2000e-03 3.8872e-20 6.0000e-04 - 1 advect 15 15 42 42 6.99499 9.72254 0.0000e+00 1.2000e-03 3.8132e-18 6.0000e-04 - 1 advect 16 16 42 42 6.99499 9.87006 0.0000e+00 1.2000e-03 3.7664e-16 6.0000e-04 - 1 advect 17 17 42 42 6.99499 9.95482 3.4878e-25 1.2000e-03 3.7300e-14 6.0000e-04 - 1 advect 18 18 42 42 6.99499 9.92953 4.7305e-22 1.2000e-03 3.6850e-12 6.0000e-04 - 1 advect 19 19 42 42 6.99499 9.93072 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-1.49782 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 38 38 42 42 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 33 33 42 42 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 34 34 42 42 6.99699 -1.64833 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 35 35 42 42 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 36 36 42 42 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 37 37 42 42 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 38 38 42 42 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 39 39 42 42 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 40 40 42 42 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 43 43 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1693,34 +1693,34 @@ 1 advect 9 9 43 43 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 10 10 43 43 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9.8708e-04 1.2000e-03 2.1292e-04 0.0000e+00 - 1 advect 31 31 43 43 6.99699 -1.73639 9.9873e-04 1.2000e-03 2.0127e-04 0.0000e+00 + 1 advect 30 30 43 43 6.99699 10.0047 9.8708e-04 1.2000e-03 2.1292e-04 0.0000e+00 + 1 advect 31 31 43 43 6.99699 -1.7364 9.9873e-04 1.2000e-03 2.0127e-04 0.0000e+00 1 advect 32 32 43 43 6.99699 -1.64837 9.9988e-04 1.2000e-03 2.0012e-04 0.0000e+00 1 advect 33 33 43 43 6.99699 -1.79887 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 34 34 43 43 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 35 35 43 43 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 36 36 43 43 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 37 37 43 43 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 38 38 43 43 6.99699 -1.49782 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 43 43 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 34 34 43 43 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 35 35 43 43 6.99699 -1.64833 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 36 36 43 43 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 37 37 43 43 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 38 38 43 43 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 43 43 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 40 40 43 43 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 44 44 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 44 44 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1734,34 +1734,34 @@ 1 advect 10 10 44 44 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 11 11 44 44 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 12 12 44 44 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 13 13 44 44 6.99499 9.82466 0.0000e+00 1.2000e-03 3.4724e-24 6.0000e-04 - 1 advect 14 14 44 44 6.99499 9.75674 0.0000e+00 1.2000e-03 3.2782e-22 6.0000e-04 - 1 advect 15 15 44 44 6.99499 9.77328 0.0000e+00 1.2000e-03 3.2004e-20 6.0000e-04 - 1 advect 16 16 44 44 6.99499 9.81565 0.0000e+00 1.2000e-03 3.1554e-18 6.0000e-04 - 1 advect 17 17 44 44 6.99499 9.83555 0.0000e+00 1.2000e-03 3.1230e-16 6.0000e-04 - 1 advect 18 18 44 44 6.99499 9.89547 1.5196e-25 1.2000e-03 3.0867e-14 6.0000e-04 - 1 advect 19 19 44 44 6.99499 9.98758 2.0477e-22 1.2000e-03 3.0314e-12 6.0000e-04 - 1 advect 20 20 44 44 6.99499 9.91045 2.6205e-19 1.2000e-03 2.9480e-10 6.0000e-04 - 1 advect 21 21 44 44 6.995 9.9142 3.3379e-16 1.2000e-03 2.8381e-08 5.9999e-04 - 1 advect 22 22 44 44 6.995 -1.49582 4.2523e-13 1.2000e-03 2.7146e-06 5.9864e-04 - 1 advect 23 23 44 44 6.99537 -1.64675 4.9074e-10 1.2000e-03 2.3427e-04 4.8287e-04 - 1 advect 24 24 44 44 6.99698 -0.179612 3.3371e-08 1.2000e-03 1.1977e-03 1.1200e-06 - 1 advect 25 25 44 44 6.99699 -0.411369 3.4442e-07 1.2000e-03 1.1997e-03 7.8690e-11 - 1 advect 26 26 44 44 6.99699 -1.7364 3.0073e-06 1.2000e-03 1.1970e-03 5.4236e-15 - 1 advect 27 27 44 44 6.99699 9.92822 2.4530e-05 1.2000e-03 1.1755e-03 3.5627e-19 - 1 advect 28 28 44 44 6.99699 -1.49785 1.7189e-04 1.2000e-03 1.0281e-03 1.6418e-23 - 1 advect 29 29 44 44 6.99699 -1.49783 6.4024e-04 1.2000e-03 5.5976e-04 0.0000e+00 + 1 advect 13 13 44 44 6.99499 9.57635 0.0000e+00 1.2000e-03 3.9840e-24 6.0000e-04 + 1 advect 14 14 44 44 6.99499 9.7802 0.0000e+00 1.2000e-03 3.2794e-22 6.0000e-04 + 1 advect 15 15 44 44 6.99499 9.82742 0.0000e+00 1.2000e-03 3.2004e-20 6.0000e-04 + 1 advect 16 16 44 44 6.99499 9.7626 0.0000e+00 1.2000e-03 3.1554e-18 6.0000e-04 + 1 advect 17 17 44 44 6.99499 9.85406 0.0000e+00 1.2000e-03 3.1230e-16 6.0000e-04 + 1 advect 18 18 44 44 6.99499 0.90822 1.5196e-25 1.2000e-03 3.0867e-14 6.0000e-04 + 1 advect 19 19 44 44 6.99499 9.93534 2.0475e-22 1.2000e-03 3.0314e-12 6.0000e-04 + 1 advect 20 20 44 44 6.99499 0.757113 2.6205e-19 1.2000e-03 2.9480e-10 6.0000e-04 + 1 advect 21 21 44 44 6.995 0.880991 3.3379e-16 1.2000e-03 2.8381e-08 5.9999e-04 + 1 advect 22 22 44 44 6.995 -1.49586 4.2523e-13 1.2000e-03 2.7146e-06 5.9864e-04 + 1 advect 23 23 44 44 6.99537 -1.64676 4.9074e-10 1.2000e-03 2.3427e-04 4.8287e-04 + 1 advect 24 24 44 44 6.99698 -0.17543 3.3371e-08 1.2000e-03 1.1977e-03 1.1200e-06 + 1 advect 25 25 44 44 6.99699 -0.41125 3.4442e-07 1.2000e-03 1.1997e-03 7.8690e-11 + 1 advect 26 26 44 44 6.99699 -1.73641 3.0073e-06 1.2000e-03 1.1970e-03 5.4236e-15 + 1 advect 27 27 44 44 6.99699 9.83125 2.4530e-05 1.2000e-03 1.1755e-03 3.5627e-19 + 1 advect 28 28 44 44 6.99699 -1.49781 1.7189e-04 1.2000e-03 1.0281e-03 1.6418e-23 + 1 advect 29 29 44 44 6.99699 -1.49784 6.4024e-04 1.2000e-03 5.5976e-04 0.0000e+00 1 advect 30 30 44 44 6.99699 -1.64835 9.4471e-04 1.2000e-03 2.5529e-04 0.0000e+00 - 1 advect 31 31 44 44 6.99699 0.825463 9.9430e-04 1.2000e-03 2.0570e-04 0.0000e+00 - 1 advect 32 32 44 44 6.99699 -1.73639 9.9945e-04 1.2000e-03 2.0055e-04 0.0000e+00 + 1 advect 31 31 44 44 6.99699 9.98992 9.9430e-04 1.2000e-03 2.0570e-04 0.0000e+00 + 1 advect 32 32 44 44 6.99699 -1.7364 9.9945e-04 1.2000e-03 2.0055e-04 0.0000e+00 1 advect 33 33 44 44 6.99699 -1.64837 9.9995e-04 1.2000e-03 2.0005e-04 0.0000e+00 1 advect 34 34 44 44 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 35 35 44 44 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 36 36 44 44 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 37 37 44 44 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 38 38 44 44 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 44 44 6.99699 -1.49782 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 44 44 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 35 35 44 44 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 36 36 44 44 6.99699 -1.64833 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 37 37 44 44 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 38 38 44 44 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 44 44 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 44 44 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 45 45 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 45 45 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 45 45 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1774,34 +1774,34 @@ 1 advect 10 10 45 45 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 11 11 45 45 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 12 12 45 45 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 13 13 45 45 6.99499 9.81121 0.0000e+00 1.2000e-03 2.8555e-25 6.0000e-04 - 1 advect 14 14 45 45 6.99499 9.84986 0.0000e+00 1.2000e-03 3.0837e-23 6.0000e-04 - 1 advect 15 15 45 45 6.99499 9.77967 0.0000e+00 1.2000e-03 2.9333e-21 6.0000e-04 - 1 advect 16 16 45 45 6.99499 9.78523 0.0000e+00 1.2000e-03 2.8891e-19 6.0000e-04 - 1 advect 17 17 45 45 6.99499 9.8221 0.0000e+00 1.2000e-03 2.8578e-17 6.0000e-04 - 1 advect 18 18 45 45 6.99499 9.85082 0.0000e+00 1.2000e-03 2.8249e-15 6.0000e-04 - 1 advect 19 19 45 45 6.99499 9.90507 3.7462e-24 1.2000e-03 2.7761e-13 6.0000e-04 - 1 advect 20 20 45 45 6.99499 9.99803 4.8044e-21 1.2000e-03 2.7024e-11 6.0000e-04 - 1 advect 21 21 45 45 6.99499 9.96059 6.1202e-18 1.2000e-03 2.6045e-09 6.0000e-04 - 1 advect 22 22 45 45 6.995 -1.49586 7.8043e-15 1.2000e-03 2.4951e-07 5.9988e-04 - 1 advect 23 23 45 45 6.99503 -1.49585 9.9225e-12 1.2000e-03 2.3721e-05 5.8814e-04 - 1 advect 24 24 45 45 6.99662 -1.73603 5.5143e-09 1.2000e-03 9.8590e-04 1.0704e-04 - 1 advect 25 25 45 45 6.99699 0.830371 8.1501e-08 1.2000e-03 1.1999e-03 1.1677e-08 - 1 advect 26 26 45 45 6.99699 0.760176 7.5703e-07 1.2000e-03 1.1992e-03 8.1631e-13 - 1 advect 27 27 45 45 6.99699 -1.7364 6.3941e-06 1.2000e-03 1.1936e-03 5.5838e-17 - 1 advect 28 28 45 45 6.99699 9.92263 5.0484e-05 1.2000e-03 1.1495e-03 3.4535e-21 - 1 advect 29 29 45 45 6.99699 -1.49785 3.0597e-04 1.2000e-03 8.9403e-04 1.0769e-25 - 1 advect 30 30 45 45 6.99699 -1.49783 7.9658e-04 1.2000e-03 4.0342e-04 0.0000e+00 - 1 advect 31 31 45 45 6.99699 -1.64834 9.7488e-04 1.2000e-03 2.2512e-04 0.0000e+00 - 1 advect 32 32 45 45 6.99699 0.896107 9.9750e-04 1.2000e-03 2.0250e-04 0.0000e+00 - 1 advect 33 33 45 45 6.99699 -1.73639 9.9976e-04 1.2000e-03 2.0024e-04 0.0000e+00 + 1 advect 13 13 45 45 6.99499 10.1711 0.0000e+00 1.2000e-03 3.2762e-25 6.0000e-04 + 1 advect 14 14 45 45 6.99499 9.63106 0.0000e+00 1.2000e-03 3.0949e-23 6.0000e-04 + 1 advect 15 15 45 45 6.99499 9.77453 0.0000e+00 1.2000e-03 2.9334e-21 6.0000e-04 + 1 advect 16 16 45 45 6.99499 9.82021 0.0000e+00 1.2000e-03 2.8891e-19 6.0000e-04 + 1 advect 17 17 45 45 6.99499 9.67623 0.0000e+00 1.2000e-03 2.8578e-17 6.0000e-04 + 1 advect 18 18 45 45 6.99499 9.83522 0.0000e+00 1.2000e-03 2.8249e-15 6.0000e-04 + 1 advect 19 19 45 45 6.99499 10.4042 3.7454e-24 1.2000e-03 2.7761e-13 6.0000e-04 + 1 advect 20 20 45 45 6.99499 9.96788 4.8044e-21 1.2000e-03 2.7024e-11 6.0000e-04 + 1 advect 21 21 45 45 6.99499 0.779274 6.1202e-18 1.2000e-03 2.6045e-09 6.0000e-04 + 1 advect 22 22 45 45 6.995 -1.49588 7.8043e-15 1.2000e-03 2.4951e-07 5.9988e-04 + 1 advect 23 23 45 45 6.99503 -1.49588 9.9225e-12 1.2000e-03 2.3721e-05 5.8814e-04 + 1 advect 24 24 45 45 6.99662 -1.73604 5.5143e-09 1.2000e-03 9.8590e-04 1.0704e-04 + 1 advect 25 25 45 45 6.99699 1.22994 8.1501e-08 1.2000e-03 1.1999e-03 1.1677e-08 + 1 advect 26 26 45 45 6.99699 1.03528 7.5703e-07 1.2000e-03 1.1992e-03 8.1631e-13 + 1 advect 27 27 45 45 6.99699 -1.73641 6.3941e-06 1.2000e-03 1.1936e-03 5.5838e-17 + 1 advect 28 28 45 45 6.99699 9.3617 5.0484e-05 1.2000e-03 1.1495e-03 3.4535e-21 + 1 advect 29 29 45 45 6.99699 -1.49781 3.0597e-04 1.2000e-03 8.9403e-04 1.0769e-25 + 1 advect 30 30 45 45 6.99699 -1.49784 7.9658e-04 1.2000e-03 4.0342e-04 0.0000e+00 + 1 advect 31 31 45 45 6.99699 -1.64835 9.7488e-04 1.2000e-03 2.2512e-04 0.0000e+00 + 1 advect 32 32 45 45 6.99699 9.9808 9.9750e-04 1.2000e-03 2.0250e-04 0.0000e+00 + 1 advect 33 33 45 45 6.99699 -1.7364 9.9976e-04 1.2000e-03 2.0024e-04 0.0000e+00 1 advect 34 34 45 45 6.99699 -1.64837 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 1 advect 35 35 45 45 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 36 36 45 45 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 37 37 45 45 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 38 38 45 45 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 45 45 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 45 45 6.99699 -1.49782 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 36 36 45 45 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 37 37 45 45 6.99699 -1.64833 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 38 38 45 45 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 45 45 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 45 45 6.99699 -1.64834 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 46 46 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 46 46 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 46 46 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1815,33 +1815,33 @@ 1 advect 11 11 46 46 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 12 12 46 46 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 13 13 46 46 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 14 14 46 46 6.99499 0.603412 0.0000e+00 1.2000e-03 3.0574e-24 6.0000e-04 - 1 advect 15 15 46 46 6.99499 9.8471 0.0000e+00 1.2000e-03 2.6958e-22 6.0000e-04 - 1 advect 16 16 46 46 6.99499 9.77436 0.0000e+00 1.2000e-03 2.6455e-20 6.0000e-04 - 1 advect 17 17 46 46 6.99499 9.82778 0.0000e+00 1.2000e-03 2.6152e-18 6.0000e-04 - 1 advect 18 18 46 46 6.99499 9.85796 0.0000e+00 1.2000e-03 2.5853e-16 6.0000e-04 - 1 advect 19 19 46 46 6.99499 9.85902 0.0000e+00 1.2000e-03 2.5422e-14 6.0000e-04 - 1 advect 20 20 46 46 6.99499 9.89458 8.8077e-23 1.2000e-03 2.4771e-12 6.0000e-04 - 1 advect 21 21 46 46 6.99499 10.0091 1.1223e-19 1.2000e-03 2.3898e-10 6.0000e-04 - 1 advect 22 22 46 46 6.995 9.98291 1.4310e-16 1.2000e-03 2.2910e-08 5.9999e-04 - 1 advect 23 23 46 46 6.995 -1.49586 1.8352e-13 1.2000e-03 2.1972e-06 5.9890e-04 - 1 advect 24 24 46 46 6.99531 -1.49613 2.1797e-10 1.2000e-03 1.9500e-04 5.0250e-04 - 1 advect 25 25 46 46 6.99698 -1.64833 1.7764e-08 1.2000e-03 1.1966e-03 1.6967e-06 - 1 advect 26 26 46 46 6.99699 -1.49879 1.8601e-07 1.2000e-03 1.1998e-03 1.2124e-10 - 1 advect 27 27 46 46 6.99699 9.91587 1.6326e-06 1.2000e-03 1.1984e-03 8.4582e-15 - 1 advect 28 28 46 46 6.99699 -1.7364 1.3464e-05 1.2000e-03 1.1865e-03 5.6940e-19 - 1 advect 29 29 46 46 6.99699 9.9066 1.0099e-04 1.2000e-03 1.0990e-03 3.1175e-23 - 1 advect 30 30 46 46 6.99699 -1.49785 4.8552e-04 1.2000e-03 7.1448e-04 5.1094e-28 - 1 advect 31 31 46 46 6.99699 -1.49783 8.9746e-04 1.2000e-03 3.0254e-04 0.0000e+00 - 1 advect 32 32 46 46 6.99699 -1.64834 9.8882e-04 1.2000e-03 2.1118e-04 0.0000e+00 - 1 advect 33 33 46 46 6.99699 0.703323 9.9890e-04 1.2000e-03 2.0110e-04 0.0000e+00 - 1 advect 34 34 46 46 6.99699 -1.73639 9.9989e-04 1.2000e-03 2.0011e-04 0.0000e+00 + 1 advect 14 14 46 46 6.99499 9.674 0.0000e+00 1.2000e-03 2.9109e-24 6.0000e-04 + 1 advect 15 15 46 46 6.99499 9.82266 0.0000e+00 1.2000e-03 2.6969e-22 6.0000e-04 + 1 advect 16 16 46 46 6.99499 9.78227 0.0000e+00 1.2000e-03 2.6455e-20 6.0000e-04 + 1 advect 17 17 46 46 6.99499 9.82689 0.0000e+00 1.2000e-03 2.6152e-18 6.0000e-04 + 1 advect 18 18 46 46 6.99499 1.07466 0.0000e+00 1.2000e-03 2.5853e-16 6.0000e-04 + 1 advect 19 19 46 46 6.99499 9.79012 0.0000e+00 1.2000e-03 2.5422e-14 6.0000e-04 + 1 advect 20 20 46 46 6.99499 9.94611 8.8075e-23 1.2000e-03 2.4771e-12 6.0000e-04 + 1 advect 21 21 46 46 6.99499 9.96555 1.1223e-19 1.2000e-03 2.3898e-10 6.0000e-04 + 1 advect 22 22 46 46 6.995 0.993294 1.4310e-16 1.2000e-03 2.2910e-08 5.9999e-04 + 1 advect 23 23 46 46 6.995 -1.49588 1.8352e-13 1.2000e-03 2.1972e-06 5.9890e-04 + 1 advect 24 24 46 46 6.99531 -1.49616 2.1797e-10 1.2000e-03 1.9500e-04 5.0250e-04 + 1 advect 25 25 46 46 6.99698 -1.64835 1.7764e-08 1.2000e-03 1.1966e-03 1.6967e-06 + 1 advect 26 26 46 46 6.99699 -1.49783 1.8601e-07 1.2000e-03 1.1998e-03 1.2124e-10 + 1 advect 27 27 46 46 6.99699 9.87868 1.6326e-06 1.2000e-03 1.1984e-03 8.4582e-15 + 1 advect 28 28 46 46 6.99699 -1.73641 1.3464e-05 1.2000e-03 1.1865e-03 5.6940e-19 + 1 advect 29 29 46 46 6.99699 1.41032 1.0099e-04 1.2000e-03 1.0990e-03 3.1175e-23 + 1 advect 30 30 46 46 6.99699 -1.49782 4.8552e-04 1.2000e-03 7.1448e-04 5.1094e-28 + 1 advect 31 31 46 46 6.99699 -1.49784 8.9746e-04 1.2000e-03 3.0254e-04 0.0000e+00 + 1 advect 32 32 46 46 6.99699 -1.64835 9.8882e-04 1.2000e-03 2.1118e-04 0.0000e+00 + 1 advect 33 33 46 46 6.99699 9.98094 9.9890e-04 1.2000e-03 2.0110e-04 0.0000e+00 + 1 advect 34 34 46 46 6.99699 -1.7364 9.9989e-04 1.2000e-03 2.0011e-04 0.0000e+00 1 advect 35 35 46 46 6.99699 -1.64837 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 1 advect 36 36 46 46 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 37 37 46 46 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 38 38 46 46 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 46 46 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 46 46 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 37 37 46 46 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 38 38 46 46 6.99699 -1.64833 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 46 46 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 46 46 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 47 47 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 47 47 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 47 47 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1855,33 +1855,33 @@ 1 advect 11 11 47 47 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 12 12 47 47 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 13 13 47 47 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 14 14 47 47 6.99499 9.6703 0.0000e+00 1.2000e-03 2.5142e-25 6.0000e-04 - 1 advect 15 15 47 47 6.99499 1.05077 0.0000e+00 1.2000e-03 2.5673e-23 6.0000e-04 - 1 advect 16 16 47 47 6.99499 9.84723 0.0000e+00 1.2000e-03 2.4234e-21 6.0000e-04 - 1 advect 17 17 47 47 6.99499 9.84659 0.0000e+00 1.2000e-03 2.3938e-19 6.0000e-04 - 1 advect 18 18 47 47 6.99499 9.85277 0.0000e+00 1.2000e-03 2.3660e-17 6.0000e-04 - 1 advect 19 19 47 47 6.99499 9.89889 0.0000e+00 1.2000e-03 2.3278e-15 6.0000e-04 - 1 advect 20 20 47 47 6.99499 9.9044 1.5470e-24 1.2000e-03 2.2703e-13 6.0000e-04 - 1 advect 21 21 47 47 6.99499 9.9038 2.0581e-21 1.2000e-03 2.1925e-11 6.0000e-04 - 1 advect 22 22 47 47 6.99499 10.0111 2.6237e-18 1.2000e-03 2.1033e-09 6.0000e-04 - 1 advect 23 23 47 47 6.995 9.98227 3.3666e-15 1.2000e-03 2.0185e-07 5.9990e-04 - 1 advect 24 24 47 47 6.99503 -1.49589 4.3269e-12 1.2000e-03 1.9375e-05 5.9031e-04 - 1 advect 25 25 47 47 6.99651 -1.64786 2.7509e-09 1.2000e-03 9.2291e-04 1.3854e-04 - 1 advect 26 26 47 47 6.99699 -1.64834 4.3801e-08 1.2000e-03 1.1999e-03 1.7728e-08 - 1 advect 27 27 47 47 6.99699 -1.49784 4.0993e-07 1.2000e-03 1.1996e-03 1.2584e-12 - 1 advect 28 28 47 47 6.99699 9.91371 3.4796e-06 1.2000e-03 1.1965e-03 8.7423e-17 - 1 advect 29 29 47 47 6.99699 -1.7364 2.8043e-05 1.2000e-03 1.1720e-03 5.6924e-21 - 1 advect 30 30 47 47 6.99699 9.90431 1.9204e-04 1.2000e-03 1.0080e-03 2.4593e-25 - 1 advect 31 31 47 47 6.99699 -1.49785 6.7184e-04 1.2000e-03 5.2816e-04 0.0000e+00 + 1 advect 14 14 47 47 6.99499 9.62205 0.0000e+00 1.2000e-03 2.3937e-25 6.0000e-04 + 1 advect 15 15 47 47 6.99499 9.58956 0.0000e+00 1.2000e-03 2.5452e-23 6.0000e-04 + 1 advect 16 16 47 47 6.99499 9.79895 0.0000e+00 1.2000e-03 2.4235e-21 6.0000e-04 + 1 advect 17 17 47 47 6.99499 9.80359 0.0000e+00 1.2000e-03 2.3938e-19 6.0000e-04 + 1 advect 18 18 47 47 6.99499 9.82199 0.0000e+00 1.2000e-03 2.3660e-17 6.0000e-04 + 1 advect 19 19 47 47 6.99499 9.87556 0.0000e+00 1.2000e-03 2.3278e-15 6.0000e-04 + 1 advect 20 20 47 47 6.99499 10.206 1.5469e-24 1.2000e-03 2.2703e-13 6.0000e-04 + 1 advect 21 21 47 47 6.99499 9.83251 2.0581e-21 1.2000e-03 2.1925e-11 6.0000e-04 + 1 advect 22 22 47 47 6.99499 9.96113 2.6237e-18 1.2000e-03 2.1033e-09 6.0000e-04 + 1 advect 23 23 47 47 6.995 0.382633 3.3666e-15 1.2000e-03 2.0185e-07 5.9990e-04 + 1 advect 24 24 47 47 6.99503 -1.49591 4.3269e-12 1.2000e-03 1.9375e-05 5.9031e-04 + 1 advect 25 25 47 47 6.99651 -1.64788 2.7509e-09 1.2000e-03 9.2291e-04 1.3854e-04 + 1 advect 26 26 47 47 6.99699 -1.64835 4.3801e-08 1.2000e-03 1.1999e-03 1.7728e-08 + 1 advect 27 27 47 47 6.99699 -1.49783 4.0993e-07 1.2000e-03 1.1996e-03 1.2584e-12 + 1 advect 28 28 47 47 6.99699 9.90901 3.4796e-06 1.2000e-03 1.1965e-03 8.7423e-17 + 1 advect 29 29 47 47 6.99699 -1.73641 2.8043e-05 1.2000e-03 1.1720e-03 5.6924e-21 + 1 advect 30 30 47 47 6.99699 10.1853 1.9204e-04 1.2000e-03 1.0080e-03 2.4593e-25 + 1 advect 31 31 47 47 6.99699 -1.49782 6.7184e-04 1.2000e-03 5.2816e-04 0.0000e+00 1 advect 32 32 47 47 6.99699 -1.49783 9.5186e-04 1.2000e-03 2.4814e-04 0.0000e+00 - 1 advect 33 33 47 47 6.99699 -1.64834 9.9507e-04 1.2000e-03 2.0493e-04 0.0000e+00 - 1 advect 34 34 47 47 6.99699 0.844045 9.9952e-04 1.2000e-03 2.0048e-04 0.0000e+00 - 1 advect 35 35 47 47 6.99699 -1.73639 9.9995e-04 1.2000e-03 2.0005e-04 0.0000e+00 + 1 advect 33 33 47 47 6.99699 -1.64835 9.9507e-04 1.2000e-03 2.0493e-04 0.0000e+00 + 1 advect 34 34 47 47 6.99699 9.98148 9.9952e-04 1.2000e-03 2.0048e-04 0.0000e+00 + 1 advect 35 35 47 47 6.99699 -1.7364 9.9995e-04 1.2000e-03 2.0005e-04 0.0000e+00 1 advect 36 36 47 47 6.99699 -1.64837 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 37 37 47 47 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 38 38 47 47 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 47 47 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 47 47 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 38 38 47 47 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 47 47 6.99699 -1.64832 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 47 47 6.99699 -1.79888 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 48 48 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 48 48 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 48 48 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1896,32 +1896,32 @@ 1 advect 12 12 48 48 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 13 13 48 48 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 14 14 48 48 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 15 15 48 48 6.99499 9.77853 0.0000e+00 1.2000e-03 2.3842e-24 6.0000e-04 - 1 advect 16 16 48 48 6.99499 1.00964 0.0000e+00 1.2000e-03 2.2290e-22 6.0000e-04 - 1 advect 17 17 48 48 6.99499 9.84023 0.0000e+00 1.2000e-03 2.1914e-20 6.0000e-04 - 1 advect 18 18 48 48 6.99499 9.85655 0.0000e+00 1.2000e-03 2.1658e-18 6.0000e-04 - 1 advect 19 19 48 48 6.99499 9.91361 0.0000e+00 1.2000e-03 2.1314e-16 6.0000e-04 - 1 advect 20 20 48 48 6.99499 9.92189 0.0000e+00 1.2000e-03 2.0806e-14 6.0000e-04 - 1 advect 21 21 48 48 6.99499 9.93121 3.7671e-23 1.2000e-03 2.0114e-12 6.0000e-04 - 1 advect 22 22 48 48 6.99499 9.88951 4.8111e-20 1.2000e-03 1.9309e-10 6.0000e-04 - 1 advect 23 23 48 48 6.995 10.0295 6.1712e-17 1.2000e-03 1.8531e-08 5.9999e-04 - 1 advect 24 24 48 48 6.995 9.97756 7.9863e-14 1.2000e-03 1.7902e-06 5.9910e-04 - 1 advect 25 25 48 48 6.99526 -1.49612 9.7125e-11 1.2000e-03 1.6294e-04 5.1853e-04 - 1 advect 26 26 48 48 6.99698 -1.64832 9.4383e-09 1.2000e-03 1.1949e-03 2.5326e-06 - 1 advect 27 27 48 48 6.99699 -1.64834 1.0043e-07 1.2000e-03 1.1999e-03 1.8411e-10 + 1 advect 15 15 48 48 6.99499 10.4629 0.0000e+00 1.2000e-03 2.5203e-24 6.0000e-04 + 1 advect 16 16 48 48 6.99499 10.2918 0.0000e+00 1.2000e-03 2.2290e-22 6.0000e-04 + 1 advect 17 17 48 48 6.99499 9.8179 0.0000e+00 1.2000e-03 2.1914e-20 6.0000e-04 + 1 advect 18 18 48 48 6.99499 9.83131 0.0000e+00 1.2000e-03 2.1658e-18 6.0000e-04 + 1 advect 19 19 48 48 6.99499 9.86403 0.0000e+00 1.2000e-03 2.1314e-16 6.0000e-04 + 1 advect 20 20 48 48 6.99499 9.69619 0.0000e+00 1.2000e-03 2.0806e-14 6.0000e-04 + 1 advect 21 21 48 48 6.99499 9.81916 3.7671e-23 1.2000e-03 2.0114e-12 6.0000e-04 + 1 advect 22 22 48 48 6.99499 9.81244 4.8111e-20 1.2000e-03 1.9309e-10 6.0000e-04 + 1 advect 23 23 48 48 6.995 9.97009 6.1712e-17 1.2000e-03 1.8531e-08 5.9999e-04 + 1 advect 24 24 48 48 6.995 1.90541 7.9863e-14 1.2000e-03 1.7902e-06 5.9910e-04 + 1 advect 25 25 48 48 6.99526 -1.49614 9.7125e-11 1.2000e-03 1.6294e-04 5.1853e-04 + 1 advect 26 26 48 48 6.99698 -1.64833 9.4383e-09 1.2000e-03 1.1949e-03 2.5326e-06 + 1 advect 27 27 48 48 6.99699 -1.64835 1.0043e-07 1.2000e-03 1.1999e-03 1.8411e-10 1 advect 28 28 48 48 6.99699 -1.49784 8.8574e-07 1.2000e-03 1.1991e-03 1.3052e-14 - 1 advect 29 29 48 48 6.99699 9.91043 7.3547e-06 1.2000e-03 1.1926e-03 8.9888e-19 - 1 advect 30 30 48 48 6.99699 -1.7364 5.7410e-05 1.2000e-03 1.1426e-03 5.4648e-23 - 1 advect 31 31 48 48 6.99699 9.91596 3.3562e-04 1.2000e-03 8.6438e-04 1.5344e-27 - 1 advect 32 32 48 48 6.99699 -1.49784 8.1877e-04 1.2000e-03 3.8123e-04 0.0000e+00 - 1 advect 33 33 48 48 6.99699 -1.49782 9.7823e-04 1.2000e-03 2.2177e-04 0.0000e+00 - 1 advect 34 34 48 48 6.99699 -1.64834 9.9783e-04 1.2000e-03 2.0217e-04 0.0000e+00 - 1 advect 35 35 48 48 6.99699 0.432736 9.9979e-04 1.2000e-03 2.0021e-04 0.0000e+00 - 1 advect 36 36 48 48 6.99699 -1.73639 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 + 1 advect 29 29 48 48 6.99699 9.92838 7.3547e-06 1.2000e-03 1.1926e-03 8.9888e-19 + 1 advect 30 30 48 48 6.99699 -1.73641 5.7410e-05 1.2000e-03 1.1426e-03 5.4648e-23 + 1 advect 31 31 48 48 6.99699 9.76718 3.3562e-04 1.2000e-03 8.6438e-04 1.5344e-27 + 1 advect 32 32 48 48 6.99699 -1.49782 8.1877e-04 1.2000e-03 3.8123e-04 0.0000e+00 + 1 advect 33 33 48 48 6.99699 -1.49783 9.7823e-04 1.2000e-03 2.2177e-04 0.0000e+00 + 1 advect 34 34 48 48 6.99699 -1.64835 9.9783e-04 1.2000e-03 2.0217e-04 0.0000e+00 + 1 advect 35 35 48 48 6.99699 9.97013 9.9979e-04 1.2000e-03 2.0021e-04 0.0000e+00 + 1 advect 36 36 48 48 6.99699 -1.7364 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 1 advect 37 37 48 48 6.99699 -1.64837 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 38 38 48 48 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 48 48 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 48 48 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 48 48 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 48 48 6.99699 -1.64832 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 49 49 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 49 49 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 49 49 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1936,32 +1936,32 @@ 1 advect 12 12 49 49 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 13 13 49 49 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 14 14 49 49 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 15 15 49 49 6.99499 10.172 0.0000e+00 1.2000e-03 1.9606e-25 6.0000e-04 - 1 advect 16 16 49 49 6.99499 9.79189 0.0000e+00 1.2000e-03 2.1003e-23 6.0000e-04 - 1 advect 17 17 49 49 6.99499 0.971075 0.0000e+00 1.2000e-03 2.0070e-21 6.0000e-04 - 1 advect 18 18 49 49 6.99499 9.87068 0.0000e+00 1.2000e-03 1.9825e-19 6.0000e-04 - 1 advect 19 19 49 49 6.99499 9.89635 0.0000e+00 1.2000e-03 1.9515e-17 6.0000e-04 - 1 advect 20 20 49 49 6.99499 9.8855 0.0000e+00 1.2000e-03 1.9066e-15 6.0000e-04 - 1 advect 21 21 49 49 6.99499 9.89605 6.6166e-25 1.2000e-03 1.8450e-13 6.0000e-04 - 1 advect 22 22 49 49 6.99499 9.91977 8.8215e-22 1.2000e-03 1.7724e-11 6.0000e-04 - 1 advect 23 23 49 49 6.99499 9.89091 1.1312e-18 1.2000e-03 1.7011e-09 6.0000e-04 - 1 advect 24 24 49 49 6.995 10.0273 1.4643e-15 1.2000e-03 1.6432e-07 5.9992e-04 - 1 advect 25 25 49 49 6.99502 9.97535 1.9002e-12 1.2000e-03 1.5946e-05 5.9203e-04 - 1 advect 26 26 49 49 6.9964 -1.64777 1.3544e-09 1.2000e-03 8.5397e-04 1.7301e-04 - 1 advect 27 27 49 49 6.99699 -1.64833 2.3524e-08 1.2000e-03 1.1999e-03 2.6545e-08 + 1 advect 15 15 49 49 6.99499 10.5032 0.0000e+00 1.2000e-03 2.0726e-25 6.0000e-04 + 1 advect 16 16 49 49 6.99499 9.96688 0.0000e+00 1.2000e-03 2.1215e-23 6.0000e-04 + 1 advect 17 17 49 49 6.99499 9.77453 0.0000e+00 1.2000e-03 2.0070e-21 6.0000e-04 + 1 advect 18 18 49 49 6.99499 9.85151 0.0000e+00 1.2000e-03 1.9825e-19 6.0000e-04 + 1 advect 19 19 49 49 6.99499 9.81364 0.0000e+00 1.2000e-03 1.9515e-17 6.0000e-04 + 1 advect 20 20 49 49 6.99499 9.86454 0.0000e+00 1.2000e-03 1.9066e-15 6.0000e-04 + 1 advect 21 21 49 49 6.99499 9.89015 6.6165e-25 1.2000e-03 1.8450e-13 6.0000e-04 + 1 advect 22 22 49 49 6.99499 9.84771 8.8215e-22 1.2000e-03 1.7724e-11 6.0000e-04 + 1 advect 23 23 49 49 6.99499 9.76446 1.1312e-18 1.2000e-03 1.7011e-09 6.0000e-04 + 1 advect 24 24 49 49 6.995 9.95926 1.4643e-15 1.2000e-03 1.6432e-07 5.9992e-04 + 1 advect 25 25 49 49 6.99502 1.00138 1.9002e-12 1.2000e-03 1.5946e-05 5.9203e-04 + 1 advect 26 26 49 49 6.9964 -1.64778 1.3544e-09 1.2000e-03 8.5397e-04 1.7301e-04 + 1 advect 27 27 49 49 6.99699 -1.64834 2.3524e-08 1.2000e-03 1.1999e-03 2.6545e-08 1 advect 28 28 49 49 6.99699 -1.64835 2.2193e-07 1.2000e-03 1.1998e-03 1.9116e-12 1 advect 29 29 49 49 6.99699 -1.49784 1.8912e-06 1.2000e-03 1.1981e-03 1.3520e-16 - 1 advect 30 30 49 49 6.99699 9.91349 1.5423e-05 1.2000e-03 1.1846e-03 9.1420e-21 - 1 advect 31 31 49 49 6.99699 -1.7364 1.1395e-04 1.2000e-03 1.0861e-03 4.8417e-25 - 1 advect 32 32 49 49 6.99699 9.90832 5.1998e-04 1.2000e-03 6.8002e-04 0.0000e+00 - 1 advect 33 33 49 49 6.99699 -1.49784 9.1007e-04 1.2000e-03 2.8993e-04 0.0000e+00 - 1 advect 34 34 49 49 6.99699 -1.49782 9.9033e-04 1.2000e-03 2.0967e-04 0.0000e+00 - 1 advect 35 35 49 49 6.99699 -1.64834 9.9905e-04 1.2000e-03 2.0095e-04 0.0000e+00 - 1 advect 36 36 49 49 6.99699 0.696322 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 - 1 advect 37 37 49 49 6.99699 -1.73639 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 30 30 49 49 6.99699 9.90212 1.5423e-05 1.2000e-03 1.1846e-03 9.1420e-21 + 1 advect 31 31 49 49 6.99699 -1.73641 1.1395e-04 1.2000e-03 1.0861e-03 4.8417e-25 + 1 advect 32 32 49 49 6.99699 9.71773 5.1998e-04 1.2000e-03 6.8002e-04 0.0000e+00 + 1 advect 33 33 49 49 6.99699 -1.49782 9.1007e-04 1.2000e-03 2.8993e-04 0.0000e+00 + 1 advect 34 34 49 49 6.99699 -1.49783 9.9033e-04 1.2000e-03 2.0967e-04 0.0000e+00 + 1 advect 35 35 49 49 6.99699 -1.64835 9.9905e-04 1.2000e-03 2.0095e-04 0.0000e+00 + 1 advect 36 36 49 49 6.99699 9.98572 9.9991e-04 1.2000e-03 2.0009e-04 0.0000e+00 + 1 advect 37 37 49 49 6.99699 -1.7364 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 1 advect 38 38 49 49 6.99699 -1.64837 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 39 39 49 49 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 49 49 6.99699 -1.79886 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 49 49 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 50 50 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 50 50 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 50 50 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -1977,30 +1977,30 @@ 1 advect 13 13 50 50 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 14 14 50 50 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 15 15 50 50 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 16 16 50 50 6.99499 9.84449 0.0000e+00 1.2000e-03 2.2843e-24 6.0000e-04 - 1 advect 17 17 50 50 6.99499 9.7939 0.0000e+00 1.2000e-03 1.8840e-22 6.0000e-04 - 1 advect 18 18 50 50 6.99499 0.92188 0.0000e+00 1.2000e-03 1.8148e-20 6.0000e-04 - 1 advect 19 19 50 50 6.99499 9.85397 0.0000e+00 1.2000e-03 1.7871e-18 6.0000e-04 - 1 advect 20 20 50 50 6.99499 9.90759 0.0000e+00 1.2000e-03 1.7469e-16 6.0000e-04 - 1 advect 21 21 50 50 6.99499 9.90233 0.0000e+00 1.2000e-03 1.6922e-14 6.0000e-04 - 1 advect 22 22 50 50 6.99499 9.88951 1.6146e-23 1.2000e-03 1.6269e-12 6.0000e-04 - 1 advect 23 23 50 50 6.99499 9.87675 2.0738e-20 1.2000e-03 1.5615e-10 6.0000e-04 - 1 advect 24 24 50 50 6.995 9.88517 2.6832e-17 1.2000e-03 1.5075e-08 5.9999e-04 - 1 advect 25 25 50 50 6.995 10.0279 3.5016e-14 1.2000e-03 1.4700e-06 5.9927e-04 - 1 advect 26 26 50 50 6.99522 10.9134 4.3348e-11 1.2000e-03 1.3659e-04 5.3171e-04 - 1 advect 27 27 50 50 6.99697 -1.64833 5.0042e-09 1.2000e-03 1.1925e-03 3.7399e-06 - 1 advect 28 28 50 50 6.99699 -1.64833 5.4207e-08 1.2000e-03 1.1999e-03 2.7572e-10 + 1 advect 16 16 50 50 6.99499 10.117 0.0000e+00 1.2000e-03 2.3502e-24 6.0000e-04 + 1 advect 17 17 50 50 6.99499 9.76069 0.0000e+00 1.2000e-03 1.8456e-22 6.0000e-04 + 1 advect 18 18 50 50 6.99499 9.76136 0.0000e+00 1.2000e-03 1.8148e-20 6.0000e-04 + 1 advect 19 19 50 50 6.99499 9.87942 0.0000e+00 1.2000e-03 1.7871e-18 6.0000e-04 + 1 advect 20 20 50 50 6.99499 9.82913 0.0000e+00 1.2000e-03 1.7469e-16 6.0000e-04 + 1 advect 21 21 50 50 6.99499 9.85088 0.0000e+00 1.2000e-03 1.6922e-14 6.0000e-04 + 1 advect 22 22 50 50 6.99499 0.597549 1.6146e-23 1.2000e-03 1.6269e-12 6.0000e-04 + 1 advect 23 23 50 50 6.99499 9.85422 2.0738e-20 1.2000e-03 1.5615e-10 6.0000e-04 + 1 advect 24 24 50 50 6.995 9.89213 2.6832e-17 1.2000e-03 1.5075e-08 5.9999e-04 + 1 advect 25 25 50 50 6.995 9.93155 3.5016e-14 1.2000e-03 1.4700e-06 5.9927e-04 + 1 advect 26 26 50 50 6.99522 10.914 4.3348e-11 1.2000e-03 1.3659e-04 5.3171e-04 + 1 advect 27 27 50 50 6.99697 -1.64834 5.0042e-09 1.2000e-03 1.1925e-03 3.7399e-06 + 1 advect 28 28 50 50 6.99699 -1.64834 5.4207e-08 1.2000e-03 1.1999e-03 2.7572e-10 1 advect 29 29 50 50 6.99699 -1.64835 4.8038e-07 1.2000e-03 1.1995e-03 1.9841e-14 1 advect 30 30 50 50 6.99699 -1.49784 4.0066e-06 1.2000e-03 1.1960e-03 1.3965e-18 - 1 advect 31 31 50 50 6.99699 9.93778 3.1998e-05 1.2000e-03 1.1680e-03 9.0900e-23 - 1 advect 32 32 50 50 6.99699 -1.7364 2.1392e-04 1.2000e-03 9.8608e-04 3.6809e-27 - 1 advect 33 33 50 50 6.99699 9.94102 7.0208e-04 1.2000e-03 4.9792e-04 0.0000e+00 - 1 advect 34 34 50 50 6.99699 -1.49784 9.5814e-04 1.2000e-03 2.4186e-04 0.0000e+00 - 1 advect 35 35 50 50 6.99699 -1.49782 9.9574e-04 1.2000e-03 2.0426e-04 0.0000e+00 - 1 advect 36 36 50 50 6.99699 -1.64834 9.9958e-04 1.2000e-03 2.0042e-04 0.0000e+00 - 1 advect 37 37 50 50 6.99699 0.785977 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 - 1 advect 38 38 50 50 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 39 39 50 50 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 31 31 50 50 6.99699 9.88186 3.1998e-05 1.2000e-03 1.1680e-03 9.0900e-23 + 1 advect 32 32 50 50 6.99699 -1.73641 2.1392e-04 1.2000e-03 9.8608e-04 3.6809e-27 + 1 advect 33 33 50 50 6.99699 9.73588 7.0208e-04 1.2000e-03 4.9792e-04 0.0000e+00 + 1 advect 34 34 50 50 6.99699 -1.49782 9.5814e-04 1.2000e-03 2.4186e-04 0.0000e+00 + 1 advect 35 35 50 50 6.99699 -1.49783 9.9574e-04 1.2000e-03 2.0426e-04 0.0000e+00 + 1 advect 36 36 50 50 6.99699 -1.64835 9.9958e-04 1.2000e-03 2.0042e-04 0.0000e+00 + 1 advect 37 37 50 50 6.99699 9.98879 9.9996e-04 1.2000e-03 2.0004e-04 0.0000e+00 + 1 advect 38 38 50 50 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 50 50 6.99699 -1.64837 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 40 40 50 50 6.99699 -1.79887 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 51 51 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 51 51 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2017,31 +2017,31 @@ 1 advect 13 13 51 51 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 14 14 51 51 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 15 15 51 51 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 16 16 51 51 6.99499 1.32143 0.0000e+00 1.2000e-03 1.8784e-25 6.0000e-04 - 1 advect 17 17 51 51 6.99499 9.78695 0.0000e+00 1.2000e-03 1.8181e-23 6.0000e-04 - 1 advect 18 18 51 51 6.99499 9.80957 0.0000e+00 1.2000e-03 1.6657e-21 6.0000e-04 - 1 advect 19 19 51 51 6.99499 0.675019 0.0000e+00 1.2000e-03 1.6364e-19 6.0000e-04 - 1 advect 20 20 51 51 6.99499 9.79523 0.0000e+00 1.2000e-03 1.6006e-17 6.0000e-04 - 1 advect 21 21 51 51 6.99499 9.91947 0.0000e+00 1.2000e-03 1.5519e-15 6.0000e-04 - 1 advect 22 22 51 51 6.99499 9.91718 2.8358e-25 1.2000e-03 1.4931e-13 6.0000e-04 - 1 advect 23 23 51 51 6.99499 9.89103 3.8015e-22 1.2000e-03 1.4334e-11 6.0000e-04 - 1 advect 24 24 51 51 6.99499 9.9128 4.9164e-19 1.2000e-03 1.3830e-09 6.0000e-04 - 1 advect 25 25 51 51 6.995 -1.49586 6.4172e-16 1.2000e-03 1.3478e-07 5.9993e-04 - 1 advect 26 26 51 51 6.99502 10.0351 8.3835e-13 1.2000e-03 1.3205e-05 5.9340e-04 + 1 advect 16 16 51 51 6.99499 10.28 0.0000e+00 1.2000e-03 1.9327e-25 6.0000e-04 + 1 advect 17 17 51 51 6.99499 9.52351 0.0000e+00 1.2000e-03 1.7998e-23 6.0000e-04 + 1 advect 18 18 51 51 6.99499 9.7504 0.0000e+00 1.2000e-03 1.6621e-21 6.0000e-04 + 1 advect 19 19 51 51 6.99499 9.81553 0.0000e+00 1.2000e-03 1.6364e-19 6.0000e-04 + 1 advect 20 20 51 51 6.99499 9.85134 0.0000e+00 1.2000e-03 1.6006e-17 6.0000e-04 + 1 advect 21 21 51 51 6.99499 9.85499 0.0000e+00 1.2000e-03 1.5519e-15 6.0000e-04 + 1 advect 22 22 51 51 6.99499 9.89422 2.8358e-25 1.2000e-03 1.4931e-13 6.0000e-04 + 1 advect 23 23 51 51 6.99499 0.691027 3.8015e-22 1.2000e-03 1.4334e-11 6.0000e-04 + 1 advect 24 24 51 51 6.99499 9.89416 4.9164e-19 1.2000e-03 1.3830e-09 6.0000e-04 + 1 advect 25 25 51 51 6.995 -1.49587 6.4172e-16 1.2000e-03 1.3478e-07 5.9993e-04 + 1 advect 26 26 51 51 6.99502 9.93759 8.3835e-13 1.2000e-03 1.3205e-05 5.9340e-04 1 advect 27 27 51 51 6.99627 10.9867 6.5781e-10 1.2000e-03 7.8082e-04 2.0959e-04 - 1 advect 28 28 51 51 6.99699 -1.73639 1.2625e-08 1.2000e-03 1.1999e-03 3.9373e-08 - 1 advect 29 29 51 51 6.99699 -1.64832 1.2012e-07 1.2000e-03 1.1999e-03 2.8635e-12 + 1 advect 28 28 51 51 6.99699 -1.7364 1.2625e-08 1.2000e-03 1.1999e-03 3.9373e-08 + 1 advect 29 29 51 51 6.99699 -1.64834 1.2012e-07 1.2000e-03 1.1999e-03 2.8635e-12 1 advect 30 30 51 51 6.99699 -1.64835 1.0271e-06 1.2000e-03 1.1990e-03 2.0578e-16 - 1 advect 31 31 51 51 6.99699 -1.49784 8.4351e-06 1.2000e-03 1.1916e-03 1.4339e-20 - 1 advect 32 32 51 51 6.99699 9.94365 6.5174e-05 1.2000e-03 1.1348e-03 8.6322e-25 - 1 advect 33 33 51 51 6.99699 -1.7364 3.6667e-04 1.2000e-03 8.3333e-04 0.0000e+00 - 1 advect 34 34 51 51 6.99699 9.95047 8.3911e-04 1.2000e-03 3.6089e-04 0.0000e+00 - 1 advect 35 35 51 51 6.99699 -1.49784 9.8114e-04 1.2000e-03 2.1886e-04 0.0000e+00 - 1 advect 36 36 51 51 6.99699 -1.49782 9.9813e-04 1.2000e-03 2.0187e-04 0.0000e+00 - 1 advect 37 37 51 51 6.99699 -1.64834 9.9982e-04 1.2000e-03 2.0018e-04 0.0000e+00 - 1 advect 38 38 51 51 6.99699 0.754541 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 - 1 advect 39 39 51 51 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 - 1 advect 40 40 51 51 6.99699 -1.64836 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 31 31 51 51 6.99699 -1.49783 8.4351e-06 1.2000e-03 1.1916e-03 1.4339e-20 + 1 advect 32 32 51 51 6.99699 9.91103 6.5174e-05 1.2000e-03 1.1348e-03 8.6322e-25 + 1 advect 33 33 51 51 6.99699 -1.73641 3.6667e-04 1.2000e-03 8.3333e-04 0.0000e+00 + 1 advect 34 34 51 51 6.99699 10.538 8.3911e-04 1.2000e-03 3.6089e-04 0.0000e+00 + 1 advect 35 35 51 51 6.99699 -1.49782 9.8114e-04 1.2000e-03 2.1886e-04 0.0000e+00 + 1 advect 36 36 51 51 6.99699 -1.49783 9.9813e-04 1.2000e-03 2.0187e-04 0.0000e+00 + 1 advect 37 37 51 51 6.99699 -1.64835 9.9982e-04 1.2000e-03 2.0018e-04 0.0000e+00 + 1 advect 38 38 51 51 6.99699 9.99585 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 + 1 advect 39 39 51 51 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 40 40 51 51 6.99699 -1.64837 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 52 52 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 52 52 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 52 52 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2058,30 +2058,30 @@ 1 advect 14 14 52 52 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 15 15 52 52 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 16 16 52 52 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 17 17 52 52 6.99499 10.0081 0.0000e+00 1.2000e-03 2.0497e-24 6.0000e-04 - 1 advect 18 18 52 52 6.99499 9.79443 0.0000e+00 1.2000e-03 1.5371e-22 6.0000e-04 - 1 advect 19 19 52 52 6.99499 9.81435 0.0000e+00 1.2000e-03 1.4989e-20 6.0000e-04 - 1 advect 20 20 52 52 6.99499 1.09457 0.0000e+00 1.2000e-03 1.4667e-18 6.0000e-04 - 1 advect 21 21 52 52 6.99499 9.73873 0.0000e+00 1.2000e-03 1.4230e-16 6.0000e-04 - 1 advect 22 22 52 52 6.99499 9.94313 0.0000e+00 1.2000e-03 1.3703e-14 6.0000e-04 - 1 advect 23 23 52 52 6.99499 9.89973 6.9562e-24 1.2000e-03 1.3158e-12 6.0000e-04 - 1 advect 24 24 52 52 6.99499 9.91191 9.0098e-21 1.2000e-03 1.2688e-10 6.0000e-04 - 1 advect 25 25 52 52 6.995 9.94303 1.1755e-17 1.2000e-03 1.2353e-08 5.9999e-04 - 1 advect 26 26 52 52 6.995 -1.64639 1.5429e-14 1.2000e-03 1.2150e-06 5.9939e-04 - 1 advect 27 27 52 52 6.99518 -1.49599 1.9333e-11 1.2000e-03 1.1463e-04 5.4268e-04 + 1 advect 17 17 52 52 6.99499 9.84631 0.0000e+00 1.2000e-03 1.6970e-24 6.0000e-04 + 1 advect 18 18 52 52 6.99499 10.2043 0.0000e+00 1.2000e-03 1.5384e-22 6.0000e-04 + 1 advect 19 19 52 52 6.99499 9.80726 0.0000e+00 1.2000e-03 1.4985e-20 6.0000e-04 + 1 advect 20 20 52 52 6.99499 9.82591 0.0000e+00 1.2000e-03 1.4667e-18 6.0000e-04 + 1 advect 21 21 52 52 6.99499 9.87068 0.0000e+00 1.2000e-03 1.4230e-16 6.0000e-04 + 1 advect 22 22 52 52 6.99499 9.80353 0.0000e+00 1.2000e-03 1.3703e-14 6.0000e-04 + 1 advect 23 23 52 52 6.99499 9.88639 6.9562e-24 1.2000e-03 1.3158e-12 6.0000e-04 + 1 advect 24 24 52 52 6.99499 0.796026 9.0098e-21 1.2000e-03 1.2688e-10 6.0000e-04 + 1 advect 25 25 52 52 6.995 9.89796 1.1755e-17 1.2000e-03 1.2353e-08 5.9999e-04 + 1 advect 26 26 52 52 6.995 -1.6464 1.5429e-14 1.2000e-03 1.2150e-06 5.9939e-04 + 1 advect 27 27 52 52 6.99518 -1.49603 1.9333e-11 1.2000e-03 1.1463e-04 5.4268e-04 1 advect 28 28 52 52 6.99697 10.9107 2.6474e-09 1.2000e-03 1.1890e-03 5.4945e-06 - 1 advect 29 29 52 52 6.99699 -1.79886 2.9248e-08 1.2000e-03 1.2000e-03 4.0903e-10 - 1 advect 30 30 52 52 6.99699 -1.64833 2.6047e-07 1.2000e-03 1.1997e-03 2.9732e-14 + 1 advect 29 29 52 52 6.99699 -1.79887 2.9248e-08 1.2000e-03 1.2000e-03 4.0903e-10 + 1 advect 30 30 52 52 6.99699 -1.64834 2.6047e-07 1.2000e-03 1.1997e-03 2.9732e-14 1 advect 31 31 52 52 6.99699 -1.64835 2.1794e-06 1.2000e-03 1.1978e-03 2.1310e-18 1 advect 32 32 52 52 6.99699 -1.49783 1.7634e-05 1.2000e-03 1.1824e-03 1.4540e-22 - 1 advect 33 33 52 52 6.99699 9.9648 1.2829e-04 1.2000e-03 1.0717e-03 7.4584e-27 - 1 advect 34 34 52 52 6.99699 -1.7364 5.5437e-04 1.2000e-03 6.4563e-04 0.0000e+00 - 1 advect 35 35 52 52 6.99699 9.95115 9.2130e-04 1.2000e-03 2.7870e-04 0.0000e+00 - 1 advect 36 36 52 52 6.99699 -1.49784 9.9164e-04 1.2000e-03 2.0836e-04 0.0000e+00 - 1 advect 37 37 52 52 6.99699 -1.49781 9.9918e-04 1.2000e-03 2.0082e-04 0.0000e+00 - 1 advect 38 38 52 52 6.99699 -1.64834 9.9992e-04 1.2000e-03 2.0008e-04 0.0000e+00 - 1 advect 39 39 52 52 6.99699 0.650586 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 - 1 advect 40 40 52 52 6.99699 -1.73639 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 33 33 52 52 6.99699 9.91706 1.2829e-04 1.2000e-03 1.0717e-03 7.4584e-27 + 1 advect 34 34 52 52 6.99699 -1.73641 5.5437e-04 1.2000e-03 6.4563e-04 0.0000e+00 + 1 advect 35 35 52 52 6.99699 10.1088 9.2130e-04 1.2000e-03 2.7870e-04 0.0000e+00 + 1 advect 36 36 52 52 6.99699 -1.49783 9.9164e-04 1.2000e-03 2.0836e-04 0.0000e+00 + 1 advect 37 37 52 52 6.99699 -1.49782 9.9918e-04 1.2000e-03 2.0082e-04 0.0000e+00 + 1 advect 38 38 52 52 6.99699 -1.64835 9.9992e-04 1.2000e-03 2.0008e-04 0.0000e+00 + 1 advect 39 39 52 52 6.99699 9.99563 9.9999e-04 1.2000e-03 2.0001e-04 0.0000e+00 + 1 advect 40 40 52 52 6.99699 -1.73641 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 53 53 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 53 53 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 53 53 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2098,30 +2098,30 @@ 1 advect 14 14 53 53 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 15 15 53 53 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 16 16 53 53 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 17 17 53 53 6.99499 10.6897 0.0000e+00 1.2000e-03 1.6856e-25 6.0000e-04 - 1 advect 18 18 53 53 6.99499 9.75251 0.0000e+00 1.2000e-03 1.5146e-23 6.0000e-04 - 1 advect 19 19 53 53 6.99499 9.81659 0.0000e+00 1.2000e-03 1.3739e-21 6.0000e-04 - 1 advect 20 20 53 53 6.99499 9.84145 0.0000e+00 1.2000e-03 1.3440e-19 6.0000e-04 - 1 advect 21 21 53 53 6.99499 9.76427 0.0000e+00 1.2000e-03 1.3048e-17 6.0000e-04 - 1 advect 22 22 53 53 6.99499 9.7942 0.0000e+00 1.2000e-03 1.2574e-15 6.0000e-04 - 1 advect 23 23 53 53 6.99499 9.94351 1.2218e-25 1.2000e-03 1.2078e-13 6.0000e-04 - 1 advect 24 24 53 53 6.99499 9.89963 1.6510e-22 1.2000e-03 1.1642e-11 6.0000e-04 - 1 advect 25 25 53 53 6.99499 9.93305 2.1531e-19 1.2000e-03 1.1323e-09 6.0000e-04 - 1 advect 26 26 53 53 6.995 9.94285 2.8266e-16 1.2000e-03 1.1129e-07 5.9994e-04 - 1 advect 27 27 53 53 6.99501 -1.6464 3.7042e-13 1.2000e-03 1.0975e-05 5.9451e-04 - 1 advect 28 28 53 53 6.99615 -1.6475 3.1497e-10 1.2000e-03 7.0494e-04 2.4753e-04 + 1 advect 17 17 53 53 6.99499 10.1715 0.0000e+00 1.2000e-03 1.3955e-25 6.0000e-04 + 1 advect 18 18 53 53 6.99499 9.83164 0.0000e+00 1.2000e-03 1.4576e-23 6.0000e-04 + 1 advect 19 19 53 53 6.99499 9.64181 0.0000e+00 1.2000e-03 1.3738e-21 6.0000e-04 + 1 advect 20 20 53 53 6.99499 9.82335 0.0000e+00 1.2000e-03 1.3439e-19 6.0000e-04 + 1 advect 21 21 53 53 6.99499 9.87213 0.0000e+00 1.2000e-03 1.3048e-17 6.0000e-04 + 1 advect 22 22 53 53 6.99499 9.87953 0.0000e+00 1.2000e-03 1.2574e-15 6.0000e-04 + 1 advect 23 23 53 53 6.99499 9.85515 1.2218e-25 1.2000e-03 1.2078e-13 6.0000e-04 + 1 advect 24 24 53 53 6.99499 9.8764 1.6510e-22 1.2000e-03 1.1642e-11 6.0000e-04 + 1 advect 25 25 53 53 6.99499 0.514296 2.1531e-19 1.2000e-03 1.1323e-09 6.0000e-04 + 1 advect 26 26 53 53 6.995 9.92427 2.8266e-16 1.2000e-03 1.1129e-07 5.9994e-04 + 1 advect 27 27 53 53 6.99501 -1.64641 3.7042e-13 1.2000e-03 1.0975e-05 5.9451e-04 + 1 advect 28 28 53 53 6.99615 -1.64752 3.1497e-10 1.2000e-03 7.0494e-04 2.4753e-04 1 advect 29 29 53 53 6.99699 10.9107 6.7704e-09 1.2000e-03 1.1999e-03 5.8215e-08 1 advect 30 30 53 53 6.99699 -1.79887 6.5006e-08 1.2000e-03 1.1999e-03 4.2485e-12 - 1 advect 31 31 53 53 6.99699 -1.64832 5.5764e-07 1.2000e-03 1.1994e-03 3.0860e-16 - 1 advect 32 32 53 53 6.99699 -1.64834 4.5992e-06 1.2000e-03 1.1954e-03 2.1996e-20 - 1 advect 33 33 53 53 6.99699 -1.49783 3.6459e-05 1.2000e-03 1.1635e-03 1.4370e-24 - 1 advect 34 34 53 53 6.99699 9.96072 2.3755e-04 1.2000e-03 9.6245e-04 0.0000e+00 - 1 advect 35 35 53 53 6.99699 -1.7364 7.3077e-04 1.2000e-03 4.6923e-04 0.0000e+00 - 1 advect 36 36 53 53 6.99699 9.95304 9.6364e-04 1.2000e-03 2.3636e-04 0.0000e+00 - 1 advect 37 37 53 53 6.99699 -1.49784 9.9632e-04 1.2000e-03 2.0368e-04 0.0000e+00 + 1 advect 31 31 53 53 6.99699 -1.64834 5.5764e-07 1.2000e-03 1.1994e-03 3.0860e-16 + 1 advect 32 32 53 53 6.99699 -1.64836 4.5992e-06 1.2000e-03 1.1954e-03 2.1996e-20 + 1 advect 33 33 53 53 6.99699 -1.49784 3.6459e-05 1.2000e-03 1.1635e-03 1.4370e-24 + 1 advect 34 34 53 53 6.99699 9.91456 2.3755e-04 1.2000e-03 9.6245e-04 0.0000e+00 + 1 advect 35 35 53 53 6.99699 -1.73641 7.3077e-04 1.2000e-03 4.6923e-04 0.0000e+00 + 1 advect 36 36 53 53 6.99699 9.89248 9.6364e-04 1.2000e-03 2.3636e-04 0.0000e+00 + 1 advect 37 37 53 53 6.99699 -1.49783 9.9632e-04 1.2000e-03 2.0368e-04 0.0000e+00 1 advect 38 38 53 53 6.99699 -1.49782 9.9964e-04 1.2000e-03 2.0036e-04 0.0000e+00 - 1 advect 39 39 53 53 6.99699 -1.64834 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 - 1 advect 40 40 53 53 6.99699 0.725142 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 + 1 advect 39 39 53 53 6.99699 -1.64835 9.9997e-04 1.2000e-03 2.0003e-04 0.0000e+00 + 1 advect 40 40 53 53 6.99699 9.99078 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1 advect 1 1 54 54 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 54 54 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 54 54 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2139,29 +2139,29 @@ 1 advect 15 15 54 54 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 16 16 54 54 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 17 17 54 54 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 18 18 54 54 6.99499 10.1883 0.0000e+00 1.2000e-03 1.4374e-24 6.0000e-04 - 1 advect 19 19 54 54 6.99499 9.77419 0.0000e+00 1.2000e-03 1.3016e-22 6.0000e-04 - 1 advect 20 20 54 54 6.99499 9.83874 0.0000e+00 1.2000e-03 1.2315e-20 6.0000e-04 - 1 advect 21 21 54 54 6.99499 9.7916 0.0000e+00 1.2000e-03 1.1966e-18 6.0000e-04 - 1 advect 22 22 54 54 6.99499 9.80026 0.0000e+00 1.2000e-03 1.1538e-16 6.0000e-04 - 1 advect 23 23 54 54 6.99499 9.79866 0.0000e+00 1.2000e-03 1.1086e-14 6.0000e-04 - 1 advect 24 24 54 54 6.99499 9.90765 3.0202e-24 1.2000e-03 1.0682e-12 6.0000e-04 - 1 advect 25 25 54 54 6.99499 9.87885 3.9444e-21 1.2000e-03 1.0380e-10 6.0000e-04 - 1 advect 26 26 54 54 6.995 9.92521 5.1764e-18 1.2000e-03 1.0192e-08 5.9999e-04 - 1 advect 27 27 54 54 6.995 9.96054 6.8108e-15 1.2000e-03 1.0084e-06 5.9950e-04 + 1 advect 18 18 54 54 6.99499 9.81162 0.0000e+00 1.2000e-03 1.6014e-24 6.0000e-04 + 1 advect 19 19 54 54 6.99499 9.83165 0.0000e+00 1.2000e-03 1.2926e-22 6.0000e-04 + 1 advect 20 20 54 54 6.99499 10.0059 0.0000e+00 1.2000e-03 1.2315e-20 6.0000e-04 + 1 advect 21 21 54 54 6.99499 9.83965 0.0000e+00 1.2000e-03 1.1966e-18 6.0000e-04 + 1 advect 22 22 54 54 6.99499 9.85614 0.0000e+00 1.2000e-03 1.1538e-16 6.0000e-04 + 1 advect 23 23 54 54 6.99499 9.88523 0.0000e+00 1.2000e-03 1.1086e-14 6.0000e-04 + 1 advect 24 24 54 54 6.99499 9.68203 3.0202e-24 1.2000e-03 1.0682e-12 6.0000e-04 + 1 advect 25 25 54 54 6.99499 9.84989 3.9444e-21 1.2000e-03 1.0380e-10 6.0000e-04 + 1 advect 26 26 54 54 6.995 0.749073 5.1764e-18 1.2000e-03 1.0192e-08 5.9999e-04 + 1 advect 27 27 54 54 6.995 9.9199 6.8108e-15 1.2000e-03 1.0084e-06 5.9950e-04 1 advect 28 28 54 54 6.99515 -1.64654 8.5948e-12 1.2000e-03 9.6079e-05 5.5196e-04 - 1 advect 29 29 54 54 6.99696 -1.64829 1.3974e-09 1.2000e-03 1.1838e-03 8.0759e-06 - 1 advect 30 30 54 54 6.99699 10.3695 1.5775e-08 1.2000e-03 1.2000e-03 6.0484e-10 + 1 advect 29 29 54 54 6.99696 -1.64831 1.3974e-09 1.2000e-03 1.1838e-03 8.0759e-06 + 1 advect 30 30 54 54 6.99699 10.3677 1.5775e-08 1.2000e-03 1.2000e-03 6.0484e-10 1 advect 31 31 54 54 6.99699 -1.79887 1.4121e-07 1.2000e-03 1.1999e-03 4.4124e-14 - 1 advect 32 32 54 54 6.99699 -1.64833 1.1846e-06 1.2000e-03 1.1988e-03 3.2003e-18 - 1 advect 33 33 54 54 6.99699 -1.64834 9.6562e-06 1.2000e-03 1.1903e-03 2.2549e-22 + 1 advect 32 32 54 54 6.99699 -1.64834 1.1846e-06 1.2000e-03 1.1988e-03 3.2003e-18 + 1 advect 33 33 54 54 6.99699 -1.64835 9.6562e-06 1.2000e-03 1.1903e-03 2.2549e-22 1 advect 34 34 54 54 6.99699 -1.49783 7.3876e-05 1.2000e-03 1.1261e-03 1.3412e-26 - 1 advect 35 35 54 54 6.99699 9.96366 3.9891e-04 1.2000e-03 8.0109e-04 0.0000e+00 - 1 advect 36 36 54 54 6.99699 -1.73639 8.5763e-04 1.2000e-03 3.4237e-04 0.0000e+00 - 1 advect 37 37 54 54 6.99699 9.95421 9.8368e-04 1.2000e-03 2.1632e-04 0.0000e+00 - 1 advect 38 38 54 54 6.99699 -1.49784 9.9838e-04 1.2000e-03 2.0162e-04 0.0000e+00 + 1 advect 35 35 54 54 6.99699 9.92135 3.9891e-04 1.2000e-03 8.0109e-04 0.0000e+00 + 1 advect 36 36 54 54 6.99699 -1.73641 8.5763e-04 1.2000e-03 3.4237e-04 0.0000e+00 + 1 advect 37 37 54 54 6.99699 9.91781 9.8368e-04 1.2000e-03 2.1632e-04 0.0000e+00 + 1 advect 38 38 54 54 6.99699 -1.49783 9.9838e-04 1.2000e-03 2.0162e-04 0.0000e+00 1 advect 39 39 54 54 6.99699 -1.49782 9.9984e-04 1.2000e-03 2.0016e-04 0.0000e+00 - 1 advect 40 40 54 54 6.99699 -1.64834 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 + 1 advect 40 40 54 54 6.99699 -1.64835 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 1 advect 1 1 55 55 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 55 55 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 55 55 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2179,29 +2179,29 @@ 1 advect 15 15 55 55 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 16 16 55 55 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 17 17 55 55 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 18 18 55 55 6.99499 0.806658 0.0000e+00 1.2000e-03 1.1820e-25 6.0000e-04 - 1 advect 19 19 55 55 6.99499 9.78937 0.0000e+00 1.2000e-03 1.2334e-23 6.0000e-04 - 1 advect 20 20 55 55 6.99499 9.82529 0.0000e+00 1.2000e-03 1.1325e-21 6.0000e-04 - 1 advect 21 21 55 55 6.99499 9.83394 0.0000e+00 1.2000e-03 1.0973e-19 6.0000e-04 - 1 advect 22 22 55 55 6.99499 9.84294 0.0000e+00 1.2000e-03 1.0586e-17 6.0000e-04 - 1 advect 23 23 55 55 6.99499 9.76281 0.0000e+00 1.2000e-03 1.0175e-15 6.0000e-04 - 1 advect 24 24 55 55 6.99499 9.88444 0.0000e+00 1.2000e-03 9.8014e-14 6.0000e-04 - 1 advect 25 25 55 55 6.99499 9.91007 7.2254e-23 1.2000e-03 9.5161e-12 6.0000e-04 - 1 advect 26 26 55 55 6.99499 9.88552 9.4793e-20 1.2000e-03 9.3336e-10 6.0000e-04 - 1 advect 27 27 55 55 6.995 9.94599 1.2475e-16 1.2000e-03 9.2305e-08 5.9995e-04 - 1 advect 28 28 55 55 6.99501 9.96204 1.6343e-13 1.2000e-03 9.1268e-06 5.9544e-04 - 1 advect 29 29 55 55 6.99602 -1.64739 1.4859e-10 1.2000e-03 6.2773e-04 2.8613e-04 - 1 advect 30 30 55 55 6.99699 -1.64832 3.6284e-09 1.2000e-03 1.1998e-03 8.6366e-08 - 1 advect 31 31 55 55 6.99699 9.97566 3.5171e-08 1.2000e-03 1.2000e-03 6.2827e-12 + 1 advect 18 18 55 55 6.99499 0.826559 0.0000e+00 1.2000e-03 1.3169e-25 6.0000e-04 + 1 advect 19 19 55 55 6.99499 9.72281 0.0000e+00 1.2000e-03 1.2531e-23 6.0000e-04 + 1 advect 20 20 55 55 6.99499 9.84857 0.0000e+00 1.2000e-03 1.1316e-21 6.0000e-04 + 1 advect 21 21 55 55 6.99499 9.67116 0.0000e+00 1.2000e-03 1.0973e-19 6.0000e-04 + 1 advect 22 22 55 55 6.99499 9.85136 0.0000e+00 1.2000e-03 1.0586e-17 6.0000e-04 + 1 advect 23 23 55 55 6.99499 9.86223 0.0000e+00 1.2000e-03 1.0175e-15 6.0000e-04 + 1 advect 24 24 55 55 6.99499 9.92079 0.0000e+00 1.2000e-03 9.8014e-14 6.0000e-04 + 1 advect 25 25 55 55 6.99499 9.82528 7.2254e-23 1.2000e-03 9.5161e-12 6.0000e-04 + 1 advect 26 26 55 55 6.99499 9.90966 9.4793e-20 1.2000e-03 9.3336e-10 6.0000e-04 + 1 advect 27 27 55 55 6.995 0.644276 1.2475e-16 1.2000e-03 9.2305e-08 5.9995e-04 + 1 advect 28 28 55 55 6.99501 9.94905 1.6343e-13 1.2000e-03 9.1268e-06 5.9544e-04 + 1 advect 29 29 55 55 6.99602 -1.6474 1.4859e-10 1.2000e-03 6.2773e-04 2.8613e-04 + 1 advect 30 30 55 55 6.99699 -1.64834 3.6284e-09 1.2000e-03 1.1998e-03 8.6366e-08 + 1 advect 31 31 55 55 6.99699 9.82391 3.5171e-08 1.2000e-03 1.2000e-03 6.2827e-12 1 advect 32 32 55 55 6.99699 -1.79887 3.0267e-07 1.2000e-03 1.1997e-03 4.5815e-16 - 1 advect 33 33 55 55 6.99699 -1.64833 2.5035e-06 1.2000e-03 1.1975e-03 3.3129e-20 - 1 advect 34 34 55 55 6.99699 -1.64834 2.0136e-05 1.2000e-03 1.1799e-03 2.2789e-24 + 1 advect 33 33 55 55 6.99699 -1.64834 2.5035e-06 1.2000e-03 1.1975e-03 3.3129e-20 + 1 advect 34 34 55 55 6.99699 -1.64835 2.0136e-05 1.2000e-03 1.1799e-03 2.2789e-24 1 advect 35 35 55 55 6.99699 -1.49783 1.4413e-04 1.2000e-03 1.0559e-03 0.0000e+00 - 1 advect 36 36 55 55 6.99699 9.95996 5.8836e-04 1.2000e-03 6.1164e-04 0.0000e+00 - 1 advect 37 37 55 55 6.99699 -1.7364 9.3126e-04 1.2000e-03 2.6874e-04 0.0000e+00 - 1 advect 38 38 55 55 6.99699 9.95846 9.9278e-04 1.2000e-03 2.0722e-04 0.0000e+00 + 1 advect 36 36 55 55 6.99699 9.93317 5.8836e-04 1.2000e-03 6.1164e-04 0.0000e+00 + 1 advect 37 37 55 55 6.99699 -1.73641 9.3126e-04 1.2000e-03 2.6874e-04 0.0000e+00 + 1 advect 38 38 55 55 6.99699 9.89117 9.9278e-04 1.2000e-03 2.0722e-04 0.0000e+00 1 advect 39 39 55 55 6.99699 -1.49783 9.9929e-04 1.2000e-03 2.0071e-04 0.0000e+00 - 1 advect 40 40 55 55 6.99699 -1.49782 9.9993e-04 1.2000e-03 2.0007e-04 0.0000e+00 + 1 advect 40 40 55 55 6.99699 -1.49783 9.9993e-04 1.2000e-03 2.0007e-04 0.0000e+00 1 advect 1 1 56 56 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 56 56 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 56 56 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2220,28 +2220,28 @@ 1 advect 16 16 56 56 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 17 17 56 56 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 18 18 56 56 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 19 19 56 56 6.99499 0.954789 0.0000e+00 1.2000e-03 1.3557e-24 6.0000e-04 - 1 advect 20 20 56 56 6.99499 9.76818 0.0000e+00 1.2000e-03 1.0705e-22 6.0000e-04 - 1 advect 21 21 56 56 6.99499 9.83554 0.0000e+00 1.2000e-03 1.0065e-20 6.0000e-04 - 1 advect 22 22 56 56 6.99499 9.87745 0.0000e+00 1.2000e-03 9.7146e-19 6.0000e-04 - 1 advect 23 23 56 56 6.99499 9.81426 0.0000e+00 1.2000e-03 9.3391e-17 6.0000e-04 - 1 advect 24 24 56 56 6.99499 9.81944 0.0000e+00 1.2000e-03 8.9939e-15 6.0000e-04 - 1 advect 25 25 56 56 6.99499 9.94818 1.2691e-24 1.2000e-03 8.7250e-13 6.0000e-04 - 1 advect 26 26 56 56 6.99499 9.8997 1.7359e-21 1.2000e-03 8.5487e-11 6.0000e-04 - 1 advect 27 27 56 56 6.995 9.8579 2.2844e-18 1.2000e-03 8.4475e-09 6.0000e-04 - 1 advect 28 28 56 56 6.995 9.96083 3.0029e-15 1.2000e-03 8.3782e-07 5.9958e-04 - 1 advect 29 29 56 56 6.99512 -1.49597 3.8002e-12 1.2000e-03 8.0202e-05 5.5990e-04 - 1 advect 30 30 56 56 6.99694 -1.49778 7.3576e-10 1.2000e-03 1.1761e-03 1.1926e-05 - 1 advect 31 31 56 56 6.99699 -1.64832 8.5059e-09 1.2000e-03 1.2000e-03 8.9740e-10 - 1 advect 32 32 56 56 6.99699 9.94691 7.6540e-08 1.2000e-03 1.1999e-03 6.5258e-14 + 1 advect 19 19 56 56 6.99499 1.01087 0.0000e+00 1.2000e-03 1.4321e-24 6.0000e-04 + 1 advect 20 20 56 56 6.99499 9.71056 0.0000e+00 1.2000e-03 1.0729e-22 6.0000e-04 + 1 advect 21 21 56 56 6.99499 9.82998 0.0000e+00 1.2000e-03 1.0064e-20 6.0000e-04 + 1 advect 22 22 56 56 6.99499 9.72874 0.0000e+00 1.2000e-03 9.7146e-19 6.0000e-04 + 1 advect 23 23 56 56 6.99499 9.8407 0.0000e+00 1.2000e-03 9.3391e-17 6.0000e-04 + 1 advect 24 24 56 56 6.99499 9.88695 0.0000e+00 1.2000e-03 8.9939e-15 6.0000e-04 + 1 advect 25 25 56 56 6.99499 9.91174 1.2691e-24 1.2000e-03 8.7250e-13 6.0000e-04 + 1 advect 26 26 56 56 6.99499 9.83576 1.7359e-21 1.2000e-03 8.5487e-11 6.0000e-04 + 1 advect 27 27 56 56 6.995 9.91335 2.2844e-18 1.2000e-03 8.4475e-09 6.0000e-04 + 1 advect 28 28 56 56 6.995 0.918816 3.0029e-15 1.2000e-03 8.3782e-07 5.9958e-04 + 1 advect 29 29 56 56 6.99512 -1.49598 3.8002e-12 1.2000e-03 8.0202e-05 5.5990e-04 + 1 advect 30 30 56 56 6.99694 -1.49779 7.3576e-10 1.2000e-03 1.1761e-03 1.1926e-05 + 1 advect 31 31 56 56 6.99699 -1.64834 8.5059e-09 1.2000e-03 1.2000e-03 8.9740e-10 + 1 advect 32 32 56 56 6.99699 9.70751 7.6540e-08 1.2000e-03 1.1999e-03 6.5258e-14 1 advect 33 33 56 56 6.99699 -1.79887 6.4357e-07 1.2000e-03 1.1994e-03 4.7550e-18 1 advect 34 34 56 56 6.99699 -1.64833 5.2693e-06 1.2000e-03 1.1947e-03 3.4168e-22 - 1 advect 35 35 56 56 6.99699 -1.64834 4.1495e-05 1.2000e-03 1.1585e-03 2.2238e-26 + 1 advect 35 35 56 56 6.99699 -1.64835 4.1495e-05 1.2000e-03 1.1585e-03 2.2238e-26 1 advect 36 36 56 56 6.99699 -1.49783 2.6294e-04 1.2000e-03 9.3706e-04 0.0000e+00 - 1 advect 37 37 56 56 6.99699 9.95449 7.5776e-04 1.2000e-03 4.4224e-04 0.0000e+00 - 1 advect 38 38 56 56 6.99699 -1.73639 9.6846e-04 1.2000e-03 2.3154e-04 0.0000e+00 - 1 advect 39 39 56 56 6.99699 9.96092 9.9682e-04 1.2000e-03 2.0318e-04 0.0000e+00 - 1 advect 40 40 56 56 6.99699 -1.49784 9.9969e-04 1.2000e-03 2.0031e-04 0.0000e+00 + 1 advect 37 37 56 56 6.99699 9.92037 7.5776e-04 1.2000e-03 4.4224e-04 0.0000e+00 + 1 advect 38 38 56 56 6.99699 -1.73641 9.6846e-04 1.2000e-03 2.3154e-04 0.0000e+00 + 1 advect 39 39 56 56 6.99699 9.89611 9.9682e-04 1.2000e-03 2.0318e-04 0.0000e+00 + 1 advect 40 40 56 56 6.99699 -1.49783 9.9969e-04 1.2000e-03 2.0031e-04 0.0000e+00 1 advect 1 1 57 57 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 57 57 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 57 57 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2260,28 +2260,28 @@ 1 advect 16 16 57 57 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 17 17 57 57 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 18 18 57 57 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 19 19 57 57 6.99499 9.76518 0.0000e+00 1.2000e-03 1.1148e-25 6.0000e-04 - 1 advect 20 20 57 57 6.99499 1.0961 0.0000e+00 1.2000e-03 1.0426e-23 6.0000e-04 - 1 advect 21 21 57 57 6.99499 9.76027 0.0000e+00 1.2000e-03 9.2616e-22 6.0000e-04 - 1 advect 22 22 57 57 6.99499 9.82365 0.0000e+00 1.2000e-03 8.9144e-20 6.0000e-04 - 1 advect 23 23 57 57 6.99499 9.80313 0.0000e+00 1.2000e-03 8.5714e-18 6.0000e-04 - 1 advect 24 24 57 57 6.99499 9.80368 0.0000e+00 1.2000e-03 8.2531e-16 6.0000e-04 - 1 advect 25 25 57 57 6.99499 9.86897 0.0000e+00 1.2000e-03 8.0003e-14 6.0000e-04 - 1 advect 26 26 57 57 6.99499 9.89033 3.1736e-23 1.2000e-03 7.8307e-12 6.0000e-04 - 1 advect 27 27 57 57 6.99499 9.89209 4.1828e-20 1.2000e-03 7.7313e-10 6.0000e-04 - 1 advect 28 28 57 57 6.995 9.88018 5.5004e-17 1.2000e-03 7.6671e-08 5.9996e-04 - 1 advect 29 29 57 57 6.99501 9.94676 7.1809e-14 1.2000e-03 7.5715e-06 5.9621e-04 - 1 advect 30 30 57 57 6.99589 -1.49673 6.9012e-11 1.2000e-03 5.5063e-04 3.2468e-04 - 1 advect 31 31 57 57 6.99698 -1.49781 1.9434e-09 1.2000e-03 1.1997e-03 1.2933e-07 - 1 advect 32 32 57 57 6.99699 -1.64832 1.9026e-08 1.2000e-03 1.2000e-03 9.3217e-12 - 1 advect 33 33 57 57 6.99699 9.95214 1.6425e-07 1.2000e-03 1.1998e-03 6.7774e-16 + 1 advect 19 19 57 57 6.99499 1.59005 0.0000e+00 1.2000e-03 1.1777e-25 6.0000e-04 + 1 advect 20 20 57 57 6.99499 1.32764 0.0000e+00 1.2000e-03 1.0575e-23 6.0000e-04 + 1 advect 21 21 57 57 6.99499 9.74921 0.0000e+00 1.2000e-03 9.2631e-22 6.0000e-04 + 1 advect 22 22 57 57 6.99499 9.81584 0.0000e+00 1.2000e-03 8.9143e-20 6.0000e-04 + 1 advect 23 23 57 57 6.99499 0.743251 0.0000e+00 1.2000e-03 8.5714e-18 6.0000e-04 + 1 advect 24 24 57 57 6.99499 9.86722 0.0000e+00 1.2000e-03 8.2531e-16 6.0000e-04 + 1 advect 25 25 57 57 6.99499 9.89127 0.0000e+00 1.2000e-03 8.0003e-14 6.0000e-04 + 1 advect 26 26 57 57 6.99499 9.93665 3.1736e-23 1.2000e-03 7.8307e-12 6.0000e-04 + 1 advect 27 27 57 57 6.99499 9.83772 4.1828e-20 1.2000e-03 7.7313e-10 6.0000e-04 + 1 advect 28 28 57 57 6.995 9.9519 5.5004e-17 1.2000e-03 7.6671e-08 5.9996e-04 + 1 advect 29 29 57 57 6.99501 0.947759 7.1809e-14 1.2000e-03 7.5715e-06 5.9621e-04 + 1 advect 30 30 57 57 6.99589 -1.49674 6.9012e-11 1.2000e-03 5.5063e-04 3.2468e-04 + 1 advect 31 31 57 57 6.99698 -1.49784 1.9434e-09 1.2000e-03 1.1997e-03 1.2933e-07 + 1 advect 32 32 57 57 6.99699 -1.64834 1.9026e-08 1.2000e-03 1.2000e-03 9.3217e-12 + 1 advect 33 33 57 57 6.99699 9.79927 1.6425e-07 1.2000e-03 1.1998e-03 6.7774e-16 1 advect 34 34 57 57 6.99699 -1.79887 1.3615e-06 1.2000e-03 1.1986e-03 4.9303e-20 1 advect 35 35 57 57 6.99699 -1.64833 1.1040e-05 1.2000e-03 1.1890e-03 3.4964e-24 - 1 advect 36 36 57 57 6.99699 -1.64834 8.3617e-05 1.2000e-03 1.1164e-03 0.0000e+00 + 1 advect 36 36 57 57 6.99699 -1.64835 8.3617e-05 1.2000e-03 1.1164e-03 0.0000e+00 1 advect 37 37 57 57 6.99699 -1.49783 4.3214e-04 1.2000e-03 7.6786e-04 0.0000e+00 - 1 advect 38 38 57 57 6.99699 9.94021 8.7439e-04 1.2000e-03 3.2561e-04 0.0000e+00 - 1 advect 39 39 57 57 6.99699 -1.73639 9.8589e-04 1.2000e-03 2.1411e-04 0.0000e+00 - 1 advect 40 40 57 57 6.99699 9.97132 9.9860e-04 1.2000e-03 2.0140e-04 0.0000e+00 + 1 advect 38 38 57 57 6.99699 10.3667 8.7439e-04 1.2000e-03 3.2561e-04 0.0000e+00 + 1 advect 39 39 57 57 6.99699 -1.73641 9.8589e-04 1.2000e-03 2.1411e-04 0.0000e+00 + 1 advect 40 40 57 57 6.99699 9.89109 9.9860e-04 1.2000e-03 2.0140e-04 0.0000e+00 1 advect 1 1 58 58 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 58 58 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 58 58 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2301,27 +2301,27 @@ 1 advect 17 17 58 58 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 18 18 58 58 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 19 19 58 58 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 20 20 58 58 6.99499 9.83529 0.0000e+00 1.2000e-03 1.2007e-24 6.0000e-04 - 1 advect 21 21 58 58 6.99499 1.23804 0.0000e+00 1.2000e-03 8.8079e-23 6.0000e-04 - 1 advect 22 22 58 58 6.99499 9.7476 0.0000e+00 1.2000e-03 8.1825e-21 6.0000e-04 - 1 advect 23 23 58 58 6.99499 9.86691 0.0000e+00 1.2000e-03 7.8685e-19 6.0000e-04 - 1 advect 24 24 58 58 6.99499 9.84491 0.0000e+00 1.2000e-03 7.5735e-17 6.0000e-04 - 1 advect 25 25 58 58 6.99499 9.87046 0.0000e+00 1.2000e-03 7.3364e-15 6.0000e-04 - 1 advect 26 26 58 58 6.99499 10.4093 5.5741e-25 1.2000e-03 7.1737e-13 6.0000e-04 - 1 advect 27 27 58 58 6.99499 9.90538 7.6593e-22 1.2000e-03 7.0764e-11 6.0000e-04 - 1 advect 28 28 58 58 6.995 9.88365 1.0072e-18 1.2000e-03 7.0147e-09 6.0000e-04 - 1 advect 29 29 58 58 6.995 -1.49587 1.3189e-15 1.2000e-03 6.9476e-07 5.9965e-04 - 1 advect 30 30 58 58 6.9951 -1.49596 1.6681e-12 1.2000e-03 6.6513e-05 5.6674e-04 - 1 advect 31 31 58 58 6.99692 -1.49775 3.8626e-10 1.2000e-03 1.1646e-03 1.7720e-05 - 1 advect 32 32 58 58 6.99699 -0.410105 4.5849e-09 1.2000e-03 1.2000e-03 1.3439e-09 - 1 advect 33 33 58 58 6.99699 -1.64832 4.1483e-08 1.2000e-03 1.2000e-03 9.6825e-14 - 1 advect 34 34 58 58 6.99699 9.9404 3.4955e-07 1.2000e-03 1.1997e-03 7.0369e-18 + 1 advect 20 20 58 58 6.99499 10.69 0.0000e+00 1.2000e-03 9.2564e-25 6.0000e-04 + 1 advect 21 21 58 58 6.99499 10.1642 0.0000e+00 1.2000e-03 8.5985e-23 6.0000e-04 + 1 advect 22 22 58 58 6.99499 9.71252 0.0000e+00 1.2000e-03 8.1826e-21 6.0000e-04 + 1 advect 23 23 58 58 6.99499 9.77274 0.0000e+00 1.2000e-03 7.8685e-19 6.0000e-04 + 1 advect 24 24 58 58 6.99499 0.94377 0.0000e+00 1.2000e-03 7.5735e-17 6.0000e-04 + 1 advect 25 25 58 58 6.99499 9.84714 0.0000e+00 1.2000e-03 7.3364e-15 6.0000e-04 + 1 advect 26 26 58 58 6.99499 9.87195 5.5741e-25 1.2000e-03 7.1737e-13 6.0000e-04 + 1 advect 27 27 58 58 6.99499 9.92352 7.6593e-22 1.2000e-03 7.0764e-11 6.0000e-04 + 1 advect 28 28 58 58 6.995 9.7931 1.0072e-18 1.2000e-03 7.0147e-09 6.0000e-04 + 1 advect 29 29 58 58 6.995 -1.49586 1.3189e-15 1.2000e-03 6.9476e-07 5.9965e-04 + 1 advect 30 30 58 58 6.9951 -1.49599 1.6681e-12 1.2000e-03 6.6513e-05 5.6674e-04 + 1 advect 31 31 58 58 6.99692 -1.49776 3.8626e-10 1.2000e-03 1.1646e-03 1.7720e-05 + 1 advect 32 32 58 58 6.99699 -0.411677 4.5849e-09 1.2000e-03 1.2000e-03 1.3439e-09 + 1 advect 33 33 58 58 6.99699 -1.64834 4.1483e-08 1.2000e-03 1.2000e-03 9.6825e-14 + 1 advect 34 34 58 58 6.99699 9.41407 3.4955e-07 1.2000e-03 1.1997e-03 7.0369e-18 1 advect 35 35 58 58 6.99699 -1.79887 2.8698e-06 1.2000e-03 1.1971e-03 5.1017e-22 1 advect 36 36 58 58 6.99699 -1.64833 2.2971e-05 1.2000e-03 1.1770e-03 3.4981e-26 - 1 advect 37 37 58 58 6.99699 -1.64834 1.6155e-04 1.2000e-03 1.0384e-03 0.0000e+00 + 1 advect 37 37 58 58 6.99699 -1.64835 1.6155e-04 1.2000e-03 1.0384e-03 0.0000e+00 1 advect 38 38 58 58 6.99699 -1.49783 6.2165e-04 1.2000e-03 5.7835e-04 0.0000e+00 - 1 advect 39 39 58 58 6.99699 9.94351 9.4005e-04 1.2000e-03 2.5995e-04 0.0000e+00 - 1 advect 40 40 58 58 6.99699 -1.73639 9.9376e-04 1.2000e-03 2.0624e-04 0.0000e+00 + 1 advect 39 39 58 58 6.99699 9.98583 9.4005e-04 1.2000e-03 2.5995e-04 0.0000e+00 + 1 advect 40 40 58 58 6.99699 -1.73641 9.9376e-04 1.2000e-03 2.0624e-04 0.0000e+00 1 advect 1 1 59 59 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 59 59 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 59 59 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2341,27 +2341,27 @@ 1 advect 17 17 59 59 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 18 18 59 59 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 19 19 59 59 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 20 20 59 59 6.99499 0.799616 0.0000e+00 1.2000e-03 9.8740e-26 6.0000e-04 - 1 advect 21 21 59 59 6.99499 9.80648 0.0000e+00 1.2000e-03 8.7246e-24 6.0000e-04 - 1 advect 22 22 59 59 6.99499 1.17248 0.0000e+00 1.2000e-03 7.5393e-22 6.0000e-04 - 1 advect 23 23 59 59 6.99499 9.74103 0.0000e+00 1.2000e-03 7.2232e-20 6.0000e-04 - 1 advect 24 24 59 59 6.99499 9.89701 0.0000e+00 1.2000e-03 6.9501e-18 6.0000e-04 - 1 advect 25 25 59 59 6.99499 9.91613 0.0000e+00 1.2000e-03 6.7280e-16 6.0000e-04 - 1 advect 26 26 59 59 6.99499 9.86708 0.0000e+00 1.2000e-03 6.5725e-14 6.0000e-04 - 1 advect 27 27 59 59 6.99499 9.90931 1.4000e-23 1.2000e-03 6.4775e-12 6.0000e-04 - 1 advect 28 28 59 59 6.99499 9.90601 1.8443e-20 1.2000e-03 6.4179e-10 6.0000e-04 - 1 advect 29 29 59 59 6.995 -1.49586 2.4160e-17 1.2000e-03 6.3585e-08 5.9997e-04 - 1 advect 30 30 59 59 6.99501 -1.49587 3.1356e-14 1.2000e-03 6.2485e-06 5.9688e-04 - 1 advect 31 31 59 59 6.99577 0.568344 3.1555e-11 1.2000e-03 4.7536e-04 3.6232e-04 + 1 advect 20 20 59 59 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 + 1 advect 21 21 59 59 6.99499 10.1917 0.0000e+00 1.2000e-03 8.1111e-24 6.0000e-04 + 1 advect 22 22 59 59 6.99499 9.7576 0.0000e+00 1.2000e-03 7.5198e-22 6.0000e-04 + 1 advect 23 23 59 59 6.99499 9.77891 0.0000e+00 1.2000e-03 7.2232e-20 6.0000e-04 + 1 advect 24 24 59 59 6.99499 9.7133 0.0000e+00 1.2000e-03 6.9501e-18 6.0000e-04 + 1 advect 25 25 59 59 6.99499 9.71408 0.0000e+00 1.2000e-03 6.7280e-16 6.0000e-04 + 1 advect 26 26 59 59 6.99499 9.87045 0.0000e+00 1.2000e-03 6.5725e-14 6.0000e-04 + 1 advect 27 27 59 59 6.99499 9.87053 1.4000e-23 1.2000e-03 6.4775e-12 6.0000e-04 + 1 advect 28 28 59 59 6.99499 9.9391 1.8443e-20 1.2000e-03 6.4179e-10 6.0000e-04 + 1 advect 29 29 59 59 6.995 -1.49587 2.4160e-17 1.2000e-03 6.3585e-08 5.9997e-04 + 1 advect 30 30 59 59 6.99501 -1.49586 3.1356e-14 1.2000e-03 6.2485e-06 5.9688e-04 + 1 advect 31 31 59 59 6.99577 0.409708 3.1555e-11 1.2000e-03 4.7536e-04 3.6232e-04 1 advect 32 32 59 59 6.99698 -1.64834 1.0404e-09 1.2000e-03 1.1996e-03 1.9627e-07 - 1 advect 33 33 59 59 6.99699 -1.49782 1.0290e-08 1.2000e-03 1.2000e-03 1.3959e-11 - 1 advect 34 34 59 59 6.99699 -1.64832 8.9128e-08 1.2000e-03 1.1999e-03 1.0057e-15 - 1 advect 35 35 59 59 6.99699 9.96425 7.4003e-07 1.2000e-03 1.1993e-03 7.3026e-20 + 1 advect 33 33 59 59 6.99699 -1.49784 1.0290e-08 1.2000e-03 1.2000e-03 1.3959e-11 + 1 advect 34 34 59 59 6.99699 -1.64834 8.9128e-08 1.2000e-03 1.1999e-03 1.0057e-15 + 1 advect 35 35 59 59 6.99699 0.723058 7.4003e-07 1.2000e-03 1.1993e-03 7.3026e-20 1 advect 36 36 59 59 6.99699 -1.79887 6.0293e-06 1.2000e-03 1.1940e-03 5.2563e-24 1 advect 37 37 59 59 6.99699 -1.64833 4.7178e-05 1.2000e-03 1.1528e-03 0.0000e+00 - 1 advect 38 38 59 59 6.99699 -1.64834 2.9003e-04 1.2000e-03 9.0997e-04 0.0000e+00 + 1 advect 38 38 59 59 6.99699 -1.64835 2.9003e-04 1.2000e-03 9.0997e-04 0.0000e+00 1 advect 39 39 59 59 6.99699 -1.49783 7.8294e-04 1.2000e-03 4.1706e-04 0.0000e+00 - 1 advect 40 40 59 59 6.99699 9.95664 9.7266e-04 1.2000e-03 2.2734e-04 0.0000e+00 + 1 advect 40 40 59 59 6.99699 9.94239 9.7266e-04 1.2000e-03 2.2734e-04 0.0000e+00 1 advect 1 1 60 60 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 60 60 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 60 60 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2382,26 +2382,26 @@ 1 advect 18 18 60 60 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 19 19 60 60 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 20 20 60 60 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 21 21 60 60 6.99499 0.869335 0.0000e+00 1.2000e-03 9.6246e-25 6.0000e-04 - 1 advect 22 22 60 60 6.99499 9.82943 0.0000e+00 1.2000e-03 7.2078e-23 6.0000e-04 - 1 advect 23 23 60 60 6.99499 1.10616 0.0000e+00 1.2000e-03 6.6334e-21 6.0000e-04 - 1 advect 24 24 60 60 6.99499 9.80565 0.0000e+00 1.2000e-03 6.3797e-19 6.0000e-04 - 1 advect 25 25 60 60 6.99499 9.9223 0.0000e+00 1.2000e-03 6.1706e-17 6.0000e-04 - 1 advect 26 26 60 60 6.99499 9.94034 0.0000e+00 1.2000e-03 6.0223e-15 6.0000e-04 - 1 advect 27 27 60 60 6.99499 9.89625 2.4590e-25 1.2000e-03 5.9299e-13 6.0000e-04 - 1 advect 28 28 60 60 6.99499 9.87646 3.3773e-22 1.2000e-03 5.8721e-11 6.0000e-04 - 1 advect 29 29 60 60 6.995 9.92229 4.4248e-19 1.2000e-03 5.8180e-09 6.0000e-04 - 1 advect 30 30 60 60 6.995 -1.49587 5.7576e-16 1.2000e-03 5.7340e-07 5.9971e-04 - 1 advect 31 31 60 60 6.99508 -1.49595 7.2619e-13 1.2000e-03 5.4705e-05 5.7265e-04 - 1 advect 32 32 60 60 6.99689 -1.49772 2.0199e-10 1.2000e-03 1.1472e-03 2.6405e-05 + 1 advect 21 21 60 60 6.99499 10.1717 0.0000e+00 1.2000e-03 6.6700e-25 6.0000e-04 + 1 advect 22 22 60 60 6.99499 9.85398 0.0000e+00 1.2000e-03 7.0960e-23 6.0000e-04 + 1 advect 23 23 60 60 6.99499 9.77841 0.0000e+00 1.2000e-03 6.6316e-21 6.0000e-04 + 1 advect 24 24 60 60 6.99499 9.80236 0.0000e+00 1.2000e-03 6.3797e-19 6.0000e-04 + 1 advect 25 25 60 60 6.99499 9.7665 0.0000e+00 1.2000e-03 6.1706e-17 6.0000e-04 + 1 advect 26 26 60 60 6.99499 9.80273 0.0000e+00 1.2000e-03 6.0223e-15 6.0000e-04 + 1 advect 27 27 60 60 6.99499 10.0878 2.4590e-25 1.2000e-03 5.9299e-13 6.0000e-04 + 1 advect 28 28 60 60 6.99499 9.90684 3.3773e-22 1.2000e-03 5.8721e-11 6.0000e-04 + 1 advect 29 29 60 60 6.995 9.93573 4.4248e-19 1.2000e-03 5.8180e-09 6.0000e-04 + 1 advect 30 30 60 60 6.995 -1.49588 5.7576e-16 1.2000e-03 5.7340e-07 5.9971e-04 + 1 advect 31 31 60 60 6.99508 -1.49594 7.2619e-13 1.2000e-03 5.4705e-05 5.7265e-04 + 1 advect 32 32 60 60 6.99689 -1.49775 2.0199e-10 1.2000e-03 1.1472e-03 2.6405e-05 1 advect 33 33 60 60 6.99699 -1.64835 2.4707e-09 1.2000e-03 1.2000e-03 2.0399e-09 - 1 advect 34 34 60 60 6.99699 -1.49782 2.2481e-08 1.2000e-03 1.2000e-03 1.4499e-13 - 1 advect 35 35 60 60 6.99699 -1.64832 1.8982e-07 1.2000e-03 1.1998e-03 1.0444e-17 - 1 advect 36 36 60 60 6.99699 9.96259 1.5614e-06 1.2000e-03 1.1984e-03 7.5699e-22 + 1 advect 34 34 60 60 6.99699 -1.49784 2.2481e-08 1.2000e-03 1.2000e-03 1.4499e-13 + 1 advect 35 35 60 60 6.99699 -1.64833 1.8982e-07 1.2000e-03 1.1998e-03 1.0444e-17 + 1 advect 36 36 60 60 6.99699 0.664388 1.5614e-06 1.2000e-03 1.1984e-03 7.5699e-22 1 advect 37 37 60 60 6.99699 -1.79887 1.2612e-05 1.2000e-03 1.1874e-03 5.3323e-26 1 advect 38 38 60 60 6.99699 -1.64833 9.4502e-05 1.2000e-03 1.1055e-03 0.0000e+00 - 1 advect 39 39 60 60 6.99699 -1.64834 4.6608e-04 1.2000e-03 7.3392e-04 0.0000e+00 - 1 advect 40 40 60 60 6.99699 -1.49784 8.8947e-04 1.2000e-03 3.1053e-04 0.0000e+00 + 1 advect 39 39 60 60 6.99699 -1.64835 4.6608e-04 1.2000e-03 7.3392e-04 0.0000e+00 + 1 advect 40 40 60 60 6.99699 -1.49783 8.8947e-04 1.2000e-03 3.1053e-04 0.0000e+00 1 advect 1 1 61 61 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 61 61 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 61 61 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2423,25 +2423,25 @@ 1 advect 19 19 61 61 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 20 20 61 61 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 21 21 61 61 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 22 22 61 61 6.99499 0.819813 0.0000e+00 1.2000e-03 7.1047e-24 6.0000e-04 - 1 advect 23 23 61 61 6.99499 9.84881 0.0000e+00 1.2000e-03 6.1182e-22 6.0000e-04 - 1 advect 24 24 61 61 6.99499 0.981076 0.0000e+00 1.2000e-03 5.8564e-20 6.0000e-04 - 1 advect 25 25 61 61 6.99499 9.83657 0.0000e+00 1.2000e-03 5.6598e-18 6.0000e-04 - 1 advect 26 26 61 61 6.99499 9.94256 0.0000e+00 1.2000e-03 5.5187e-16 6.0000e-04 - 1 advect 27 27 61 61 6.99499 9.95222 0.0000e+00 1.2000e-03 5.4291e-14 6.0000e-04 - 1 advect 28 28 61 61 6.99499 9.89552 6.1734e-24 1.2000e-03 5.3731e-12 6.0000e-04 - 1 advect 29 29 61 61 6.99499 9.87756 8.1035e-21 1.2000e-03 5.3233e-10 6.0000e-04 - 1 advect 30 30 61 61 6.995 -1.49586 1.0549e-17 1.2000e-03 5.2502e-08 5.9997e-04 - 1 advect 31 31 61 61 6.995 -1.49587 1.3591e-14 1.2000e-03 5.1197e-06 5.9744e-04 + 1 advect 22 22 61 61 6.99499 9.79459 0.0000e+00 1.2000e-03 6.5494e-24 6.0000e-04 + 1 advect 23 23 61 61 6.99499 9.84874 0.0000e+00 1.2000e-03 6.1063e-22 6.0000e-04 + 1 advect 24 24 61 61 6.99499 9.77702 0.0000e+00 1.2000e-03 5.8562e-20 6.0000e-04 + 1 advect 25 25 61 61 6.99499 9.83675 0.0000e+00 1.2000e-03 5.6598e-18 6.0000e-04 + 1 advect 26 26 61 61 6.99499 9.74178 0.0000e+00 1.2000e-03 5.5187e-16 6.0000e-04 + 1 advect 27 27 61 61 6.99499 9.84798 0.0000e+00 1.2000e-03 5.4291e-14 6.0000e-04 + 1 advect 28 28 61 61 6.99499 9.84679 6.1734e-24 1.2000e-03 5.3731e-12 6.0000e-04 + 1 advect 29 29 61 61 6.99499 9.89679 8.1035e-21 1.2000e-03 5.3233e-10 6.0000e-04 + 1 advect 30 30 61 61 6.995 -1.49585 1.0549e-17 1.2000e-03 5.2502e-08 5.9997e-04 + 1 advect 31 31 61 61 6.995 -1.49589 1.3591e-14 1.2000e-03 5.1197e-06 5.9744e-04 1 advect 32 32 61 61 6.99565 -1.49651 1.4222e-11 1.2000e-03 4.0401e-04 3.9799e-04 - 1 advect 33 33 61 61 6.99698 -1.49781 5.5673e-10 1.2000e-03 1.1994e-03 3.0203e-07 + 1 advect 33 33 61 61 6.99698 -1.49786 5.5673e-10 1.2000e-03 1.1994e-03 3.0203e-07 1 advect 34 34 61 61 6.99699 -1.7364 5.5647e-09 1.2000e-03 1.2000e-03 2.1187e-11 - 1 advect 35 35 61 61 6.99699 -1.49782 4.8358e-08 1.2000e-03 1.2000e-03 1.5059e-15 - 1 advect 36 36 61 61 6.99699 -1.64832 4.0212e-07 1.2000e-03 1.1996e-03 1.0843e-19 - 1 advect 37 37 61 61 6.99699 9.97244 3.2855e-06 1.2000e-03 1.1967e-03 7.8285e-24 + 1 advect 35 35 61 61 6.99699 -1.49784 4.8358e-08 1.2000e-03 1.2000e-03 1.5059e-15 + 1 advect 36 36 61 61 6.99699 -1.64833 4.0212e-07 1.2000e-03 1.1996e-03 1.0843e-19 + 1 advect 37 37 61 61 6.99699 0.646131 3.2855e-06 1.2000e-03 1.1967e-03 7.8285e-24 1 advect 38 38 61 61 6.99699 -1.79887 2.6185e-05 1.2000e-03 1.1738e-03 0.0000e+00 1 advect 39 39 61 61 6.99699 -1.64833 1.8064e-04 1.2000e-03 1.0194e-03 0.0000e+00 - 1 advect 40 40 61 61 6.99699 -1.64834 6.5396e-04 1.2000e-03 5.4604e-04 0.0000e+00 + 1 advect 40 40 61 61 6.99699 -1.64835 6.5396e-04 1.2000e-03 5.4604e-04 0.0000e+00 1 advect 1 1 62 62 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 62 62 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 62 62 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2463,23 +2463,23 @@ 1 advect 19 19 62 62 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 20 20 62 62 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 21 21 62 62 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 22 22 62 62 6.99499 10.1722 0.0000e+00 1.2000e-03 5.8424e-25 6.0000e-04 - 1 advect 23 23 62 62 6.99499 1.06039 0.0000e+00 1.2000e-03 5.8531e-23 6.0000e-04 - 1 advect 24 24 62 62 6.99499 9.85616 0.0000e+00 1.2000e-03 5.3787e-21 6.0000e-04 - 1 advect 25 25 62 62 6.99499 9.98744 0.0000e+00 1.2000e-03 5.1919e-19 6.0000e-04 - 1 advect 26 26 62 62 6.99499 9.83424 0.0000e+00 1.2000e-03 5.0576e-17 6.0000e-04 - 1 advect 27 27 62 62 6.99499 9.93178 0.0000e+00 1.2000e-03 4.9710e-15 6.0000e-04 - 1 advect 28 28 62 62 6.99499 9.94543 1.0843e-25 1.2000e-03 4.9168e-13 6.0000e-04 - 1 advect 29 29 62 62 6.99499 9.84804 1.4841e-22 1.2000e-03 4.8706e-11 6.0000e-04 - 1 advect 30 30 62 62 6.99499 9.91445 1.9326e-19 1.2000e-03 4.8061e-09 6.0000e-04 - 1 advect 31 31 62 62 6.995 -1.49586 2.4954e-16 1.2000e-03 4.7000e-07 5.9976e-04 - 1 advect 32 32 62 62 6.99507 -1.64646 3.1383e-13 1.2000e-03 4.4612e-05 5.7769e-04 + 1 advect 22 22 62 62 6.99499 9.92929 0.0000e+00 1.2000e-03 5.3858e-25 6.0000e-04 + 1 advect 23 23 62 62 6.99499 9.79632 0.0000e+00 1.2000e-03 5.7564e-23 6.0000e-04 + 1 advect 24 24 62 62 6.99499 9.87434 0.0000e+00 1.2000e-03 5.3775e-21 6.0000e-04 + 1 advect 25 25 62 62 6.99499 9.70408 0.0000e+00 1.2000e-03 5.1929e-19 6.0000e-04 + 1 advect 26 26 62 62 6.99499 9.88034 0.0000e+00 1.2000e-03 5.0576e-17 6.0000e-04 + 1 advect 27 27 62 62 6.99499 9.77209 0.0000e+00 1.2000e-03 4.9710e-15 6.0000e-04 + 1 advect 28 28 62 62 6.99499 9.80073 1.0843e-25 1.2000e-03 4.9168e-13 6.0000e-04 + 1 advect 29 29 62 62 6.99499 9.84196 1.4841e-22 1.2000e-03 4.8706e-11 6.0000e-04 + 1 advect 30 30 62 62 6.99499 9.90781 1.9326e-19 1.2000e-03 4.8061e-09 6.0000e-04 + 1 advect 31 31 62 62 6.995 -1.49585 2.4954e-16 1.2000e-03 4.7000e-07 5.9976e-04 + 1 advect 32 32 62 62 6.99507 -1.64647 3.1383e-13 1.2000e-03 4.4612e-05 5.7769e-04 1 advect 33 33 62 62 6.99685 -1.49769 1.0507e-10 1.2000e-03 1.1218e-03 3.9087e-05 - 1 advect 34 34 62 62 6.99699 -1.64834 1.3312e-09 1.2000e-03 1.2000e-03 3.1400e-09 + 1 advect 34 34 62 62 6.99699 -1.64837 1.3312e-09 1.2000e-03 1.2000e-03 3.1400e-09 1 advect 35 35 62 62 6.99699 -1.7364 1.2182e-08 1.2000e-03 1.2000e-03 2.2004e-13 - 1 advect 36 36 62 62 6.99699 -1.49782 1.0307e-07 1.2000e-03 1.1999e-03 1.5640e-17 - 1 advect 37 37 62 62 6.99699 -1.64832 8.4899e-07 1.2000e-03 1.1992e-03 1.1250e-21 - 1 advect 38 38 62 62 6.99699 9.9787 6.8932e-06 1.2000e-03 1.1931e-03 8.0023e-26 + 1 advect 36 36 62 62 6.99699 -1.49784 1.0307e-07 1.2000e-03 1.1999e-03 1.5640e-17 + 1 advect 37 37 62 62 6.99699 -1.64833 8.4899e-07 1.2000e-03 1.1992e-03 1.1250e-21 + 1 advect 38 38 62 62 6.99699 0.597381 6.8932e-06 1.2000e-03 1.1931e-03 8.0023e-26 1 advect 39 39 62 62 6.99699 -1.79887 5.3586e-05 1.2000e-03 1.1464e-03 0.0000e+00 1 advect 40 40 62 62 6.99699 -1.64833 3.1876e-04 1.2000e-03 8.8124e-04 0.0000e+00 1 advect 1 1 63 63 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2504,23 +2504,23 @@ 1 advect 20 20 63 63 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 21 21 63 63 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 22 22 63 63 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 23 23 63 63 6.99499 9.78361 0.0000e+00 1.2000e-03 5.4519e-24 6.0000e-04 - 1 advect 24 24 63 63 6.99499 1.20731 0.0000e+00 1.2000e-03 4.9618e-22 6.0000e-04 - 1 advect 25 25 63 63 6.99499 9.84439 0.0000e+00 1.2000e-03 4.7642e-20 6.0000e-04 - 1 advect 26 26 63 63 6.99499 9.81743 0.0000e+00 1.2000e-03 4.6356e-18 6.0000e-04 - 1 advect 27 27 63 63 6.99499 9.74888 0.0000e+00 1.2000e-03 4.5520e-16 6.0000e-04 - 1 advect 28 28 63 63 6.99499 9.9202 0.0000e+00 1.2000e-03 4.4995e-14 6.0000e-04 - 1 advect 29 29 63 63 6.99499 9.91951 2.7132e-24 1.2000e-03 4.4566e-12 6.0000e-04 - 1 advect 30 30 63 63 6.99499 9.75931 3.5401e-21 1.2000e-03 4.3992e-10 6.0000e-04 + 1 advect 23 23 63 63 6.99499 9.80604 0.0000e+00 1.2000e-03 5.3095e-24 6.0000e-04 + 1 advect 24 24 63 63 6.99499 9.81332 0.0000e+00 1.2000e-03 4.9517e-22 6.0000e-04 + 1 advect 25 25 63 63 6.99499 9.87085 0.0000e+00 1.2000e-03 4.7649e-20 6.0000e-04 + 1 advect 26 26 63 63 6.99499 9.65128 0.0000e+00 1.2000e-03 4.6357e-18 6.0000e-04 + 1 advect 27 27 63 63 6.99499 9.88984 0.0000e+00 1.2000e-03 4.5520e-16 6.0000e-04 + 1 advect 28 28 63 63 6.99499 9.77768 0.0000e+00 1.2000e-03 4.4995e-14 6.0000e-04 + 1 advect 29 29 63 63 6.99499 9.64519 2.7132e-24 1.2000e-03 4.4566e-12 6.0000e-04 + 1 advect 30 30 63 63 6.99499 9.87211 3.5401e-21 1.2000e-03 4.3992e-10 6.0000e-04 1 advect 31 31 63 63 6.995 -1.49585 4.5736e-18 1.2000e-03 4.3068e-08 5.9998e-04 - 1 advect 32 32 63 63 6.995 -1.49587 5.8522e-15 1.2000e-03 4.1627e-06 5.9792e-04 - 1 advect 33 33 63 63 6.99554 -1.49641 6.3412e-12 1.2000e-03 3.3893e-04 4.3054e-04 + 1 advect 32 32 63 63 6.995 -1.49586 5.8522e-15 1.2000e-03 4.1627e-06 5.9792e-04 + 1 advect 33 33 63 63 6.99554 -1.49643 6.3412e-12 1.2000e-03 3.3893e-04 4.3054e-04 1 advect 34 34 63 63 6.99698 -1.49782 2.9776e-10 1.2000e-03 1.1991e-03 4.6905e-07 - 1 advect 35 35 63 63 6.99699 -1.64834 3.0089e-09 1.2000e-03 1.2000e-03 3.2609e-11 + 1 advect 35 35 63 63 6.99699 -1.64836 3.0089e-09 1.2000e-03 1.2000e-03 3.2609e-11 1 advect 36 36 63 63 6.99699 -1.7364 2.6236e-08 1.2000e-03 1.2000e-03 2.2853e-15 - 1 advect 37 37 63 63 6.99699 -1.49782 2.1848e-07 1.2000e-03 1.1998e-03 1.6240e-19 - 1 advect 38 38 63 63 6.99699 -1.64832 1.7881e-06 1.2000e-03 1.1982e-03 1.1658e-23 - 1 advect 39 39 63 63 6.99699 9.99143 1.4398e-05 1.2000e-03 1.1856e-03 0.0000e+00 + 1 advect 37 37 63 63 6.99699 -1.49784 2.1848e-07 1.2000e-03 1.1998e-03 1.6240e-19 + 1 advect 38 38 63 63 6.99699 -1.64833 1.7881e-06 1.2000e-03 1.1982e-03 1.1658e-23 + 1 advect 39 39 63 63 6.99699 0.641447 1.4398e-05 1.2000e-03 1.1856e-03 0.0000e+00 1 advect 40 40 63 63 6.99699 -1.79887 1.0663e-04 1.2000e-03 1.0934e-03 0.0000e+00 1 advect 1 1 64 64 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 64 64 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2544,24 +2544,24 @@ 1 advect 20 20 64 64 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 21 21 64 64 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 22 22 64 64 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 23 23 64 64 6.99499 9.8028 0.0000e+00 1.2000e-03 4.4833e-25 6.0000e-04 - 1 advect 24 24 64 64 6.99499 9.75915 0.0000e+00 1.2000e-03 4.6977e-23 6.0000e-04 - 1 advect 25 25 64 64 6.99499 1.1356 0.0000e+00 1.2000e-03 4.3741e-21 6.0000e-04 - 1 advect 26 26 64 64 6.99499 9.84707 0.0000e+00 1.2000e-03 4.2501e-19 6.0000e-04 - 1 advect 27 27 64 64 6.99499 9.89314 0.0000e+00 1.2000e-03 4.1687e-17 6.0000e-04 - 1 advect 28 28 64 64 6.99499 10.2727 0.0000e+00 1.2000e-03 4.1178e-15 6.0000e-04 - 1 advect 29 29 64 64 6.99499 9.88082 0.0000e+00 1.2000e-03 4.0777e-13 6.0000e-04 - 1 advect 30 30 64 64 6.99499 9.9177 6.4852e-23 1.2000e-03 4.0267e-11 6.0000e-04 - 1 advect 31 31 64 64 6.99499 9.76103 8.3809e-20 1.2000e-03 3.9454e-09 6.0000e-04 - 1 advect 32 32 64 64 6.995 -0.362655 1.0744e-16 1.2000e-03 3.8237e-07 5.9981e-04 + 1 advect 23 23 64 64 6.99499 1.29061 0.0000e+00 1.2000e-03 4.3662e-25 6.0000e-04 + 1 advect 24 24 64 64 6.99499 9.82867 0.0000e+00 1.2000e-03 4.6678e-23 6.0000e-04 + 1 advect 25 25 64 64 6.99499 9.84174 0.0000e+00 1.2000e-03 4.3738e-21 6.0000e-04 + 1 advect 26 26 64 64 6.99499 9.89068 0.0000e+00 1.2000e-03 4.2503e-19 6.0000e-04 + 1 advect 27 27 64 64 6.99499 0.995299 0.0000e+00 1.2000e-03 4.1687e-17 6.0000e-04 + 1 advect 28 28 64 64 6.99499 9.85178 0.0000e+00 1.2000e-03 4.1178e-15 6.0000e-04 + 1 advect 29 29 64 64 6.99499 9.71476 0.0000e+00 1.2000e-03 4.0777e-13 6.0000e-04 + 1 advect 30 30 64 64 6.99499 10.3085 6.4844e-23 1.2000e-03 4.0267e-11 6.0000e-04 + 1 advect 31 31 64 64 6.99499 9.82747 8.3809e-20 1.2000e-03 3.9454e-09 6.0000e-04 + 1 advect 32 32 64 64 6.995 -0.363318 1.0744e-16 1.2000e-03 3.8237e-07 5.9981e-04 1 advect 33 33 64 64 6.99505 -1.64644 1.3507e-13 1.2000e-03 3.6150e-05 5.8193e-04 - 1 advect 34 34 64 64 6.99679 -1.64816 5.4253e-11 1.2000e-03 1.0866e-03 5.6677e-05 - 1 advect 35 35 64 64 6.99699 -1.49781 7.1705e-10 1.2000e-03 1.2000e-03 4.8790e-09 - 1 advect 36 36 64 64 6.99699 -1.64834 6.6004e-09 1.2000e-03 1.2000e-03 3.3864e-13 + 1 advect 34 34 64 64 6.99679 -1.64817 5.4253e-11 1.2000e-03 1.0866e-03 5.6677e-05 + 1 advect 35 35 64 64 6.99699 -1.49782 7.1705e-10 1.2000e-03 1.2000e-03 4.8790e-09 + 1 advect 36 36 64 64 6.99699 -1.64837 6.6004e-09 1.2000e-03 1.2000e-03 3.3864e-13 1 advect 37 37 64 64 6.99699 -1.7364 5.5965e-08 1.2000e-03 1.1999e-03 2.3733e-17 - 1 advect 38 38 64 64 6.99699 -1.49782 4.6148e-07 1.2000e-03 1.1995e-03 1.6858e-21 - 1 advect 39 39 64 64 6.99699 -1.64832 3.7581e-06 1.2000e-03 1.1962e-03 1.1966e-25 - 1 advect 40 40 64 64 6.99699 9.97748 2.9829e-05 1.2000e-03 1.1702e-03 0.0000e+00 + 1 advect 38 38 64 64 6.99699 -1.49784 4.6148e-07 1.2000e-03 1.1995e-03 1.6858e-21 + 1 advect 39 39 64 64 6.99699 -1.64833 3.7581e-06 1.2000e-03 1.1962e-03 1.1966e-25 + 1 advect 40 40 64 64 6.99699 0.558951 2.9829e-05 1.2000e-03 1.1702e-03 0.0000e+00 1 advect 1 1 65 65 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 65 65 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 65 65 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2585,23 +2585,23 @@ 1 advect 21 21 65 65 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 22 22 65 65 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 23 23 65 65 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 24 24 65 65 6.99499 9.82 0.0000e+00 1.2000e-03 4.3456e-24 6.0000e-04 - 1 advect 25 25 65 65 6.99499 9.81795 0.0000e+00 1.2000e-03 4.0293e-22 6.0000e-04 - 1 advect 26 26 65 65 6.99499 1.09443 0.0000e+00 1.2000e-03 3.8973e-20 6.0000e-04 - 1 advect 27 27 65 65 6.99499 9.86909 0.0000e+00 1.2000e-03 3.8182e-18 6.0000e-04 - 1 advect 28 28 65 65 6.99499 9.87877 0.0000e+00 1.2000e-03 3.7688e-16 6.0000e-04 - 1 advect 29 29 65 65 6.99499 9.72661 0.0000e+00 1.2000e-03 3.7312e-14 6.0000e-04 - 1 advect 30 30 65 65 6.99499 10.3477 1.1391e-24 1.2000e-03 3.6855e-12 6.0000e-04 - 1 advect 31 31 65 65 6.99499 9.92448 1.5357e-21 1.2000e-03 3.6140e-10 6.0000e-04 - 1 advect 32 32 65 65 6.995 -1.49588 1.9697e-18 1.2000e-03 3.5069e-08 5.9998e-04 + 1 advect 24 24 65 65 6.99499 9.73658 0.0000e+00 1.2000e-03 4.2984e-24 6.0000e-04 + 1 advect 25 25 65 65 6.99499 9.8475 0.0000e+00 1.2000e-03 4.0262e-22 6.0000e-04 + 1 advect 26 26 65 65 6.99499 9.83794 0.0000e+00 1.2000e-03 3.8974e-20 6.0000e-04 + 1 advect 27 27 65 65 6.99499 9.9232 0.0000e+00 1.2000e-03 3.8182e-18 6.0000e-04 + 1 advect 28 28 65 65 6.99499 9.67115 0.0000e+00 1.2000e-03 3.7688e-16 6.0000e-04 + 1 advect 29 29 65 65 6.99499 9.78023 0.0000e+00 1.2000e-03 3.7312e-14 6.0000e-04 + 1 advect 30 30 65 65 6.99499 10.2564 1.1389e-24 1.2000e-03 3.6855e-12 6.0000e-04 + 1 advect 31 31 65 65 6.99499 9.71582 1.5357e-21 1.2000e-03 3.6140e-10 6.0000e-04 + 1 advect 32 32 65 65 6.995 -1.49587 1.9697e-18 1.2000e-03 3.5069e-08 5.9998e-04 1 advect 33 33 65 65 6.995 -1.49586 2.5109e-15 1.2000e-03 3.3646e-06 5.9832e-04 1 advect 34 34 65 65 6.99545 -1.4963 2.8123e-12 1.2000e-03 2.8207e-04 4.5896e-04 - 1 advect 35 35 65 65 6.99698 -0.319293 1.5914e-10 1.2000e-03 1.1985e-03 7.2837e-07 - 1 advect 36 36 65 65 6.99699 -1.49781 1.6267e-09 1.2000e-03 1.2000e-03 5.0666e-11 - 1 advect 37 37 65 65 6.99699 -1.64834 1.4233e-08 1.2000e-03 1.2000e-03 3.5167e-15 + 1 advect 35 35 65 65 6.99698 -0.32344 1.5914e-10 1.2000e-03 1.1985e-03 7.2837e-07 + 1 advect 36 36 65 65 6.99699 -1.49782 1.6267e-09 1.2000e-03 1.2000e-03 5.0666e-11 + 1 advect 37 37 65 65 6.99699 -1.64837 1.4233e-08 1.2000e-03 1.2000e-03 3.5167e-15 1 advect 38 38 65 65 6.99699 -1.7364 1.1869e-07 1.2000e-03 1.1999e-03 2.4645e-19 - 1 advect 39 39 65 65 6.99699 -1.49782 9.7256e-07 1.2000e-03 1.1990e-03 1.7487e-23 - 1 advect 40 40 65 65 6.99699 -1.64832 7.8763e-06 1.2000e-03 1.1921e-03 1.2216e-27 + 1 advect 39 39 65 65 6.99699 -1.49784 9.7256e-07 1.2000e-03 1.1990e-03 1.7487e-23 + 1 advect 40 40 65 65 6.99699 -1.64833 7.8763e-06 1.2000e-03 1.1921e-03 1.2216e-27 1 advect 1 1 66 66 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 66 66 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 66 66 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2625,23 +2625,23 @@ 1 advect 21 21 66 66 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 22 22 66 66 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 23 23 66 66 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 24 24 66 66 6.99499 0.874993 0.0000e+00 1.2000e-03 3.5735e-25 6.0000e-04 - 1 advect 25 25 66 66 6.99499 9.79634 0.0000e+00 1.2000e-03 3.8021e-23 6.0000e-04 - 1 advect 26 26 66 66 6.99499 9.84055 0.0000e+00 1.2000e-03 3.5755e-21 6.0000e-04 - 1 advect 27 27 66 66 6.99499 1.50904 0.0000e+00 1.2000e-03 3.4982e-19 6.0000e-04 - 1 advect 28 28 66 66 6.99499 9.91792 0.0000e+00 1.2000e-03 3.4497e-17 6.0000e-04 - 1 advect 29 29 66 66 6.99499 9.8667 0.0000e+00 1.2000e-03 3.4142e-15 6.0000e-04 - 1 advect 30 30 66 66 6.99499 9.65301 0.0000e+00 1.2000e-03 3.3732e-13 6.0000e-04 - 1 advect 31 31 66 66 6.99499 9.87496 2.8093e-23 1.2000e-03 3.3102e-11 6.0000e-04 - 1 advect 32 32 66 66 6.99499 9.92452 3.6105e-20 1.2000e-03 3.2156e-09 6.0000e-04 - 1 advect 33 33 66 66 6.995 -1.6464 4.6092e-17 1.2000e-03 3.0922e-07 5.9985e-04 - 1 advect 34 34 66 66 6.99504 -1.64642 5.8195e-14 1.2000e-03 2.9236e-05 5.8538e-04 - 1 advect 35 35 66 66 6.99671 -0.0293797 2.7751e-11 1.2000e-03 1.0411e-03 7.9470e-05 - 1 advect 36 36 66 66 6.99699 1.74363 3.8613e-10 1.2000e-03 1.2000e-03 7.5833e-09 - 1 advect 37 37 66 66 6.99699 -1.49781 3.5760e-09 1.2000e-03 1.2000e-03 5.2613e-13 - 1 advect 38 38 66 66 6.99699 -1.64834 3.0385e-08 1.2000e-03 1.2000e-03 3.6520e-17 - 1 advect 39 39 66 66 6.99699 -1.73639 2.5080e-07 1.2000e-03 1.1997e-03 2.5588e-21 - 1 advect 40 40 66 66 6.99699 -1.49782 2.0460e-06 1.2000e-03 1.1980e-03 1.8112e-25 + 1 advect 24 24 66 66 6.99499 1.02813 0.0000e+00 1.2000e-03 3.5347e-25 6.0000e-04 + 1 advect 25 25 66 66 6.99499 9.79197 0.0000e+00 1.2000e-03 3.7924e-23 6.0000e-04 + 1 advect 26 26 66 66 6.99499 9.85394 0.0000e+00 1.2000e-03 3.5753e-21 6.0000e-04 + 1 advect 27 27 66 66 6.99499 9.88943 0.0000e+00 1.2000e-03 3.4982e-19 6.0000e-04 + 1 advect 28 28 66 66 6.99499 9.91865 0.0000e+00 1.2000e-03 3.4497e-17 6.0000e-04 + 1 advect 29 29 66 66 6.99499 9.76338 0.0000e+00 1.2000e-03 3.4142e-15 6.0000e-04 + 1 advect 30 30 66 66 6.99499 9.79098 0.0000e+00 1.2000e-03 3.3732e-13 6.0000e-04 + 1 advect 31 31 66 66 6.99499 9.79747 2.8092e-23 1.2000e-03 3.3102e-11 6.0000e-04 + 1 advect 32 32 66 66 6.99499 9.73366 3.6105e-20 1.2000e-03 3.2156e-09 6.0000e-04 + 1 advect 33 33 66 66 6.995 -1.64639 4.6092e-17 1.2000e-03 3.0922e-07 5.9985e-04 + 1 advect 34 34 66 66 6.99504 -1.64643 5.8195e-14 1.2000e-03 2.9236e-05 5.8538e-04 + 1 advect 35 35 66 66 6.99671 -0.0287034 2.7751e-11 1.2000e-03 1.0411e-03 7.9470e-05 + 1 advect 36 36 66 66 6.99699 0.584845 3.8613e-10 1.2000e-03 1.2000e-03 7.5833e-09 + 1 advect 37 37 66 66 6.99699 -1.49782 3.5760e-09 1.2000e-03 1.2000e-03 5.2613e-13 + 1 advect 38 38 66 66 6.99699 -1.64837 3.0385e-08 1.2000e-03 1.2000e-03 3.6520e-17 + 1 advect 39 39 66 66 6.99699 -1.7364 2.5080e-07 1.2000e-03 1.1997e-03 2.5588e-21 + 1 advect 40 40 66 66 6.99699 -1.49783 2.0460e-06 1.2000e-03 1.1980e-03 1.8112e-25 1 advect 1 1 67 67 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 67 67 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 67 67 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2666,22 +2666,22 @@ 1 advect 22 22 67 67 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 23 23 67 67 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 24 24 67 67 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 25 25 67 67 6.99499 0.815337 0.0000e+00 1.2000e-03 3.5092e-24 6.0000e-04 - 1 advect 26 26 67 67 6.99499 9.81307 0.0000e+00 1.2000e-03 3.2901e-22 6.0000e-04 - 1 advect 27 27 67 67 6.99499 9.82646 0.0000e+00 1.2000e-03 3.2055e-20 6.0000e-04 - 1 advect 28 28 67 67 6.99499 9.83648 0.0000e+00 1.2000e-03 3.1583e-18 6.0000e-04 - 1 advect 29 29 67 67 6.99499 9.91011 0.0000e+00 1.2000e-03 3.1242e-16 6.0000e-04 - 1 advect 30 30 67 67 6.99499 9.89427 0.0000e+00 1.2000e-03 3.0872e-14 6.0000e-04 - 1 advect 31 31 67 67 6.99499 10.2088 4.9342e-25 1.2000e-03 3.0317e-12 6.0000e-04 - 1 advect 32 32 67 67 6.99499 9.81338 6.6183e-22 1.2000e-03 2.9481e-10 6.0000e-04 - 1 advect 33 33 67 67 6.995 9.91456 8.4512e-19 1.2000e-03 2.8382e-08 5.9999e-04 - 1 advect 34 34 67 67 6.995 -1.49589 1.0788e-15 1.2000e-03 2.7147e-06 5.9864e-04 + 1 advect 25 25 67 67 6.99499 10.4791 0.0000e+00 1.2000e-03 3.7562e-24 6.0000e-04 + 1 advect 26 26 67 67 6.99499 9.79507 0.0000e+00 1.2000e-03 3.2890e-22 6.0000e-04 + 1 advect 27 27 67 67 6.99499 9.85521 0.0000e+00 1.2000e-03 3.2055e-20 6.0000e-04 + 1 advect 28 28 67 67 6.99499 9.87457 0.0000e+00 1.2000e-03 3.1579e-18 6.0000e-04 + 1 advect 29 29 67 67 6.99499 9.91198 0.0000e+00 1.2000e-03 3.1242e-16 6.0000e-04 + 1 advect 30 30 67 67 6.99499 9.51372 0.0000e+00 1.2000e-03 3.0872e-14 6.0000e-04 + 1 advect 31 31 67 67 6.99499 9.79653 4.9341e-25 1.2000e-03 3.0317e-12 6.0000e-04 + 1 advect 32 32 67 67 6.99499 0.494105 6.6174e-22 1.2000e-03 2.9481e-10 6.0000e-04 + 1 advect 33 33 67 67 6.995 9.63257 8.4512e-19 1.2000e-03 2.8382e-08 5.9999e-04 + 1 advect 34 34 67 67 6.995 -1.49588 1.0788e-15 1.2000e-03 2.7147e-06 5.9864e-04 1 advect 35 35 67 67 6.99537 -1.64675 1.2472e-12 1.2000e-03 2.3427e-04 4.8287e-04 - 1 advect 36 36 67 67 6.99698 11.0409 8.4953e-11 1.2000e-03 1.1978e-03 1.1201e-06 + 1 advect 36 36 67 67 6.99698 11.0415 8.4953e-11 1.2000e-03 1.1978e-03 1.1201e-06 1 advect 37 37 67 67 6.99699 10.9107 8.7935e-10 1.2000e-03 1.2000e-03 7.8750e-11 - 1 advect 38 38 67 67 6.99699 -1.49781 7.7213e-09 1.2000e-03 1.2000e-03 5.4635e-15 - 1 advect 39 39 67 67 6.99699 -1.64834 6.4472e-08 1.2000e-03 1.1999e-03 3.7923e-19 - 1 advect 40 40 67 67 6.99699 -1.73639 5.2878e-07 1.2000e-03 1.1995e-03 2.6557e-23 + 1 advect 38 38 67 67 6.99699 -1.49782 7.7213e-09 1.2000e-03 1.2000e-03 5.4635e-15 + 1 advect 39 39 67 67 6.99699 -1.64837 6.4472e-08 1.2000e-03 1.1999e-03 3.7923e-19 + 1 advect 40 40 67 67 6.99699 -1.7364 5.2878e-07 1.2000e-03 1.1995e-03 2.6557e-23 1 advect 1 1 68 68 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 68 68 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 68 68 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2706,22 +2706,22 @@ 1 advect 22 22 68 68 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 23 23 68 68 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 24 24 68 68 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 25 25 68 68 6.99499 9.57947 0.0000e+00 1.2000e-03 2.8857e-25 6.0000e-04 - 1 advect 26 26 68 68 6.99499 1.13596 0.0000e+00 1.2000e-03 3.0985e-23 6.0000e-04 - 1 advect 27 27 68 68 6.99499 9.84098 0.0000e+00 1.2000e-03 2.9386e-21 6.0000e-04 - 1 advect 28 28 68 68 6.99499 9.84885 0.0000e+00 1.2000e-03 2.8920e-19 6.0000e-04 - 1 advect 29 29 68 68 6.99499 9.80657 0.0000e+00 1.2000e-03 2.8590e-17 6.0000e-04 - 1 advect 30 30 68 68 6.99499 9.93478 0.0000e+00 1.2000e-03 2.8255e-15 6.0000e-04 - 1 advect 31 31 68 68 6.99499 9.88239 0.0000e+00 1.2000e-03 2.7764e-13 6.0000e-04 - 1 advect 32 32 68 68 6.99499 9.82099 1.2109e-23 1.2000e-03 2.7026e-11 6.0000e-04 - 1 advect 33 33 68 68 6.99499 9.85324 1.5494e-20 1.2000e-03 2.6045e-09 6.0000e-04 - 1 advect 34 34 68 68 6.995 -1.49585 1.9798e-17 1.2000e-03 2.4951e-07 5.9988e-04 - 1 advect 35 35 68 68 6.99503 -1.49592 2.5217e-14 1.2000e-03 2.3721e-05 5.8814e-04 + 1 advect 25 25 68 68 6.99499 9.85111 0.0000e+00 1.2000e-03 3.0889e-25 6.0000e-04 + 1 advect 26 26 68 68 6.99499 9.98523 0.0000e+00 1.2000e-03 3.1364e-23 6.0000e-04 + 1 advect 27 27 68 68 6.99499 9.81202 0.0000e+00 1.2000e-03 2.9385e-21 6.0000e-04 + 1 advect 28 28 68 68 6.99499 9.86642 0.0000e+00 1.2000e-03 2.8916e-19 6.0000e-04 + 1 advect 29 29 68 68 6.99499 9.91837 0.0000e+00 1.2000e-03 2.8590e-17 6.0000e-04 + 1 advect 30 30 68 68 6.99499 9.94541 0.0000e+00 1.2000e-03 2.8255e-15 6.0000e-04 + 1 advect 31 31 68 68 6.99499 9.66691 0.0000e+00 1.2000e-03 2.7764e-13 6.0000e-04 + 1 advect 32 32 68 68 6.99499 9.86128 1.2108e-23 1.2000e-03 2.7026e-11 6.0000e-04 + 1 advect 33 33 68 68 6.99499 0.692493 1.5494e-20 1.2000e-03 2.6045e-09 6.0000e-04 + 1 advect 34 34 68 68 6.995 -1.49588 1.9798e-17 1.2000e-03 2.4951e-07 5.9988e-04 + 1 advect 35 35 68 68 6.99503 -1.4959 2.5217e-14 1.2000e-03 2.3721e-05 5.8814e-04 1 advect 36 36 68 68 6.99662 -1.73603 1.4036e-11 1.2000e-03 9.8591e-04 1.0704e-04 1 advect 37 37 68 68 6.99699 11.03 2.0784e-10 1.2000e-03 1.2000e-03 1.1679e-08 1 advect 38 38 68 68 6.99699 10.9107 1.9372e-09 1.2000e-03 1.2000e-03 8.1776e-13 - 1 advect 39 39 68 68 6.99699 -1.49781 1.6496e-08 1.2000e-03 1.2000e-03 5.6734e-17 - 1 advect 40 40 68 68 6.99699 -1.64833 1.3629e-07 1.2000e-03 1.1999e-03 3.9376e-21 + 1 advect 39 39 68 68 6.99699 -1.49782 1.6496e-08 1.2000e-03 1.2000e-03 5.6734e-17 + 1 advect 40 40 68 68 6.99699 -1.64837 1.3629e-07 1.2000e-03 1.1999e-03 3.9376e-21 1 advect 1 1 69 69 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 69 69 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 69 69 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2747,21 +2747,21 @@ 1 advect 23 23 69 69 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 24 24 69 69 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 25 25 69 69 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 26 26 69 69 6.99499 1.12082 0.0000e+00 1.2000e-03 2.9048e-24 6.0000e-04 - 1 advect 27 27 69 69 6.99499 9.51969 0.0000e+00 1.2000e-03 2.7025e-22 6.0000e-04 - 1 advect 28 28 69 69 6.99499 9.86466 0.0000e+00 1.2000e-03 2.6484e-20 6.0000e-04 - 1 advect 29 29 69 69 6.99499 9.84382 0.0000e+00 1.2000e-03 2.6165e-18 6.0000e-04 - 1 advect 30 30 69 69 6.99499 9.8324 0.0000e+00 1.2000e-03 2.5859e-16 6.0000e-04 - 1 advect 31 31 69 69 6.99499 9.93475 0.0000e+00 1.2000e-03 2.5424e-14 6.0000e-04 - 1 advect 32 32 69 69 6.99499 9.93666 2.1268e-25 1.2000e-03 2.4772e-12 6.0000e-04 - 1 advect 33 33 69 69 6.99499 9.79102 2.8407e-22 1.2000e-03 2.3898e-10 6.0000e-04 - 1 advect 34 34 69 69 6.995 9.86754 3.6299e-19 1.2000e-03 2.2911e-08 5.9999e-04 - 1 advect 35 35 69 69 6.995 -1.49586 4.6636e-16 1.2000e-03 2.1972e-06 5.9890e-04 - 1 advect 36 36 69 69 6.99531 -1.49619 5.5475e-13 1.2000e-03 1.9500e-04 5.0250e-04 + 1 advect 26 26 69 69 6.99499 9.78294 0.0000e+00 1.2000e-03 2.9152e-24 6.0000e-04 + 1 advect 27 27 69 69 6.99499 9.81055 0.0000e+00 1.2000e-03 2.7050e-22 6.0000e-04 + 1 advect 28 28 69 69 6.99499 9.86793 0.0000e+00 1.2000e-03 2.6481e-20 6.0000e-04 + 1 advect 29 29 69 69 6.99499 9.82729 0.0000e+00 1.2000e-03 2.6164e-18 6.0000e-04 + 1 advect 30 30 69 69 6.99499 9.9344 0.0000e+00 1.2000e-03 2.5859e-16 6.0000e-04 + 1 advect 31 31 69 69 6.99499 9.95548 0.0000e+00 1.2000e-03 2.5424e-14 6.0000e-04 + 1 advect 32 32 69 69 6.99499 10.5003 2.1266e-25 1.2000e-03 2.4772e-12 6.0000e-04 + 1 advect 33 33 69 69 6.99499 9.7805 2.8407e-22 1.2000e-03 2.3898e-10 6.0000e-04 + 1 advect 34 34 69 69 6.995 0.768513 3.6299e-19 1.2000e-03 2.2911e-08 5.9999e-04 + 1 advect 35 35 69 69 6.995 -1.49589 4.6636e-16 1.2000e-03 2.1972e-06 5.9890e-04 + 1 advect 36 36 69 69 6.99531 -1.49617 5.5475e-13 1.2000e-03 1.9500e-04 5.0250e-04 1 advect 37 37 69 69 6.99698 -1.64833 4.5277e-11 1.2000e-03 1.1966e-03 1.6967e-06 1 advect 38 38 69 69 6.99699 10.986 4.7525e-10 1.2000e-03 1.2000e-03 1.2129e-10 1 advect 39 39 69 69 6.99699 10.9107 4.1884e-09 1.2000e-03 1.2000e-03 8.4919e-15 - 1 advect 40 40 69 69 6.99699 -1.49781 3.5021e-08 1.2000e-03 1.2000e-03 5.8911e-19 + 1 advect 40 40 69 69 6.99699 -1.49782 3.5021e-08 1.2000e-03 1.2000e-03 5.8911e-19 1 advect 1 1 70 70 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 70 70 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 70 70 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2787,19 +2787,19 @@ 1 advect 23 23 70 70 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 24 24 70 70 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 25 25 70 70 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 26 26 70 70 6.99499 10.1726 0.0000e+00 1.2000e-03 2.3887e-25 6.0000e-04 - 1 advect 27 27 70 70 6.99499 1.60783 0.0000e+00 1.2000e-03 2.5486e-23 6.0000e-04 - 1 advect 28 28 70 70 6.99499 9.63417 0.0000e+00 1.2000e-03 2.4264e-21 6.0000e-04 - 1 advect 29 29 70 70 6.99499 9.89399 0.0000e+00 1.2000e-03 2.3952e-19 6.0000e-04 - 1 advect 30 30 70 70 6.99499 9.8235 0.0000e+00 1.2000e-03 2.3666e-17 6.0000e-04 - 1 advect 31 31 70 70 6.99499 9.78045 0.0000e+00 1.2000e-03 2.3281e-15 6.0000e-04 - 1 advect 32 32 70 70 6.99499 9.92679 0.0000e+00 1.2000e-03 2.2704e-13 6.0000e-04 - 1 advect 33 33 70 70 6.99499 9.92059 5.1984e-24 1.2000e-03 2.1926e-11 6.0000e-04 - 1 advect 34 34 70 70 6.99499 9.7786 6.6547e-21 1.2000e-03 2.1034e-09 6.0000e-04 - 1 advect 35 35 70 70 6.995 9.86957 8.5544e-18 1.2000e-03 2.0186e-07 5.9990e-04 - 1 advect 36 36 70 70 6.99503 -1.49588 1.1012e-14 1.2000e-03 1.9376e-05 5.9031e-04 - 1 advect 37 37 70 70 6.99651 -1.49737 7.0106e-12 1.2000e-03 9.2291e-04 1.3854e-04 - 1 advect 38 38 70 70 6.99699 -1.64833 1.1181e-10 1.2000e-03 1.2000e-03 1.7730e-08 + 1 advect 26 26 70 70 6.99499 0.674548 0.0000e+00 1.2000e-03 2.3973e-25 6.0000e-04 + 1 advect 27 27 70 70 6.99499 9.74363 0.0000e+00 1.2000e-03 2.5522e-23 6.0000e-04 + 1 advect 28 28 70 70 6.99499 9.83541 0.0000e+00 1.2000e-03 2.4264e-21 6.0000e-04 + 1 advect 29 29 70 70 6.99499 9.89947 0.0000e+00 1.2000e-03 2.3951e-19 6.0000e-04 + 1 advect 30 30 70 70 6.99499 9.84077 0.0000e+00 1.2000e-03 2.3666e-17 6.0000e-04 + 1 advect 31 31 70 70 6.99499 9.9218 0.0000e+00 1.2000e-03 2.3281e-15 6.0000e-04 + 1 advect 32 32 70 70 6.99499 9.95285 0.0000e+00 1.2000e-03 2.2704e-13 6.0000e-04 + 1 advect 33 33 70 70 6.99499 9.94321 5.1983e-24 1.2000e-03 2.1926e-11 6.0000e-04 + 1 advect 34 34 70 70 6.99499 9.49985 6.6547e-21 1.2000e-03 2.1034e-09 6.0000e-04 + 1 advect 35 35 70 70 6.995 1.02619 8.5544e-18 1.2000e-03 2.0186e-07 5.9990e-04 + 1 advect 36 36 70 70 6.99503 -1.49592 1.1012e-14 1.2000e-03 1.9376e-05 5.9031e-04 + 1 advect 37 37 70 70 6.99651 -1.49736 7.0106e-12 1.2000e-03 9.2291e-04 1.3854e-04 + 1 advect 38 38 70 70 6.99699 -1.64834 1.1181e-10 1.2000e-03 1.2000e-03 1.7730e-08 1 advect 39 39 70 70 6.99699 10.986 1.0494e-09 1.2000e-03 1.2000e-03 1.2596e-12 1 advect 40 40 70 70 6.99699 10.9107 8.9558e-09 1.2000e-03 1.2000e-03 8.8181e-17 1 advect 1 1 71 71 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2828,19 +2828,19 @@ 1 advect 24 24 71 71 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 25 25 71 71 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 26 26 71 71 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 27 27 71 71 6.99499 9.80019 0.0000e+00 1.2000e-03 2.3513e-24 6.0000e-04 - 1 advect 28 28 71 71 6.99499 9.8204 0.0000e+00 1.2000e-03 2.2525e-22 6.0000e-04 - 1 advect 29 29 71 71 6.99499 9.72946 0.0000e+00 1.2000e-03 2.1927e-20 6.0000e-04 - 1 advect 30 30 71 71 6.99499 9.88658 0.0000e+00 1.2000e-03 2.1664e-18 6.0000e-04 - 1 advect 31 31 71 71 6.99499 9.8025 0.0000e+00 1.2000e-03 2.1316e-16 6.0000e-04 - 1 advect 32 32 71 71 6.99499 9.85084 0.0000e+00 1.2000e-03 2.0807e-14 6.0000e-04 - 1 advect 33 33 71 71 6.99499 9.89951 0.0000e+00 1.2000e-03 2.0114e-12 6.0000e-04 - 1 advect 34 34 71 71 6.99499 9.91158 1.2201e-22 1.2000e-03 1.9309e-10 6.0000e-04 - 1 advect 35 35 71 71 6.995 9.80094 1.5680e-19 1.2000e-03 1.8531e-08 5.9999e-04 - 1 advect 36 36 71 71 6.995 9.90553 2.0324e-16 1.2000e-03 1.7902e-06 5.9910e-04 - 1 advect 37 37 71 71 6.99526 -1.49611 2.4751e-13 1.2000e-03 1.6294e-04 5.1853e-04 + 1 advect 27 27 71 71 6.99499 1.17946 0.0000e+00 1.2000e-03 2.3554e-24 6.0000e-04 + 1 advect 28 28 71 71 6.99499 9.75855 0.0000e+00 1.2000e-03 2.2301e-22 6.0000e-04 + 1 advect 29 29 71 71 6.99499 9.83771 0.0000e+00 1.2000e-03 2.1927e-20 6.0000e-04 + 1 advect 30 30 71 71 6.99499 9.9408 0.0000e+00 1.2000e-03 2.1664e-18 6.0000e-04 + 1 advect 31 31 71 71 6.99499 9.83947 0.0000e+00 1.2000e-03 2.1316e-16 6.0000e-04 + 1 advect 32 32 71 71 6.99499 9.93103 0.0000e+00 1.2000e-03 2.0807e-14 6.0000e-04 + 1 advect 33 33 71 71 6.99499 9.92195 0.0000e+00 1.2000e-03 2.0114e-12 6.0000e-04 + 1 advect 34 34 71 71 6.99499 9.4338 1.2201e-22 1.2000e-03 1.9309e-10 6.0000e-04 + 1 advect 35 35 71 71 6.995 9.94205 1.5680e-19 1.2000e-03 1.8531e-08 5.9999e-04 + 1 advect 36 36 71 71 6.995 1.46142 2.0324e-16 1.2000e-03 1.7902e-06 5.9910e-04 + 1 advect 37 37 71 71 6.99526 -1.49614 2.4751e-13 1.2000e-03 1.6294e-04 5.1853e-04 1 advect 38 38 71 71 6.99698 -1.49782 2.4082e-11 1.2000e-03 1.1949e-03 2.5326e-06 - 1 advect 39 39 71 71 6.99699 -1.64833 2.5678e-10 1.2000e-03 1.2000e-03 1.8415e-10 + 1 advect 39 39 71 71 6.99699 -1.64834 2.5678e-10 1.2000e-03 1.2000e-03 1.8415e-10 1 advect 40 40 71 71 6.99699 10.986 2.2719e-09 1.2000e-03 1.2000e-03 1.3080e-14 1 advect 1 1 72 72 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 72 72 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2868,20 +2868,20 @@ 1 advect 24 24 72 72 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 25 25 72 72 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 26 26 72 72 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 27 27 72 72 6.99499 0.794791 0.0000e+00 1.2000e-03 1.9336e-25 6.0000e-04 - 1 advect 28 28 72 72 6.99499 9.80679 0.0000e+00 1.2000e-03 2.1136e-23 6.0000e-04 - 1 advect 29 29 72 72 6.99499 9.56519 0.0000e+00 1.2000e-03 2.0103e-21 6.0000e-04 - 1 advect 30 30 72 72 6.99499 9.74052 0.0000e+00 1.2000e-03 1.9831e-19 6.0000e-04 - 1 advect 31 31 72 72 6.99499 9.89827 0.0000e+00 1.2000e-03 1.9517e-17 6.0000e-04 - 1 advect 32 32 72 72 6.99499 9.87931 0.0000e+00 1.2000e-03 1.9067e-15 6.0000e-04 - 1 advect 33 33 72 72 6.99499 9.8149 0.0000e+00 1.2000e-03 1.8450e-13 6.0000e-04 - 1 advect 34 34 72 72 6.99499 9.93629 2.1429e-24 1.2000e-03 1.7725e-11 6.0000e-04 - 1 advect 35 35 72 72 6.99499 9.94673 2.8739e-21 1.2000e-03 1.7011e-09 6.0000e-04 - 1 advect 36 36 72 72 6.995 9.86133 3.7261e-18 1.2000e-03 1.6432e-07 5.9992e-04 - 1 advect 37 37 72 72 6.99502 9.90226 4.8422e-15 1.2000e-03 1.5946e-05 5.9203e-04 - 1 advect 38 38 72 72 6.9964 -1.49723 3.4555e-12 1.2000e-03 8.5397e-04 1.7301e-04 - 1 advect 39 39 72 72 6.99699 -1.49784 6.0102e-11 1.2000e-03 1.1999e-03 2.6546e-08 - 1 advect 40 40 72 72 6.99699 -1.64833 5.6835e-10 1.2000e-03 1.2000e-03 1.9126e-12 + 1 advect 27 27 72 72 6.99499 9.82496 0.0000e+00 1.2000e-03 1.9369e-25 6.0000e-04 + 1 advect 28 28 72 72 6.99499 9.50076 0.0000e+00 1.2000e-03 2.1100e-23 6.0000e-04 + 1 advect 29 29 72 72 6.99499 9.74633 0.0000e+00 1.2000e-03 2.0082e-21 6.0000e-04 + 1 advect 30 30 72 72 6.99499 9.83882 0.0000e+00 1.2000e-03 1.9831e-19 6.0000e-04 + 1 advect 31 31 72 72 6.99499 9.94894 0.0000e+00 1.2000e-03 1.9517e-17 6.0000e-04 + 1 advect 32 32 72 72 6.99499 9.84525 0.0000e+00 1.2000e-03 1.9067e-15 6.0000e-04 + 1 advect 33 33 72 72 6.99499 9.95311 0.0000e+00 1.2000e-03 1.8450e-13 6.0000e-04 + 1 advect 34 34 72 72 6.99499 9.93607 2.1429e-24 1.2000e-03 1.7725e-11 6.0000e-04 + 1 advect 35 35 72 72 6.99499 10.1746 2.8740e-21 1.2000e-03 1.7011e-09 6.0000e-04 + 1 advect 36 36 72 72 6.995 9.41891 3.7261e-18 1.2000e-03 1.6432e-07 5.9992e-04 + 1 advect 37 37 72 72 6.99502 0.75442 4.8422e-15 1.2000e-03 1.5946e-05 5.9203e-04 + 1 advect 38 38 72 72 6.9964 -1.49726 3.4555e-12 1.2000e-03 8.5397e-04 1.7301e-04 + 1 advect 39 39 72 72 6.99699 -1.49783 6.0102e-11 1.2000e-03 1.1999e-03 2.6546e-08 + 1 advect 40 40 72 72 6.99699 -1.64834 5.6835e-10 1.2000e-03 1.2000e-03 1.9126e-12 1 advect 1 1 73 73 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 73 73 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 73 73 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2909,19 +2909,19 @@ 1 advect 25 25 73 73 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 26 26 73 73 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 27 27 73 73 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 28 28 73 73 6.99499 0.99588 0.0000e+00 1.2000e-03 2.2805e-24 6.0000e-04 - 1 advect 29 29 73 73 6.99499 9.83943 0.0000e+00 1.2000e-03 1.8476e-22 6.0000e-04 - 1 advect 30 30 73 73 6.99499 9.72769 0.0000e+00 1.2000e-03 1.8156e-20 6.0000e-04 - 1 advect 31 31 73 73 6.99499 9.81958 0.0000e+00 1.2000e-03 1.7874e-18 6.0000e-04 - 1 advect 32 32 73 73 6.99499 9.92293 0.0000e+00 1.2000e-03 1.7471e-16 6.0000e-04 - 1 advect 33 33 73 73 6.99499 9.87537 0.0000e+00 1.2000e-03 1.6922e-14 6.0000e-04 - 1 advect 34 34 73 73 6.99499 9.85416 0.0000e+00 1.2000e-03 1.6269e-12 6.0000e-04 - 1 advect 35 35 73 73 6.99499 9.91312 5.2582e-23 1.2000e-03 1.5615e-10 6.0000e-04 - 1 advect 36 36 73 73 6.995 9.92778 6.8272e-20 1.2000e-03 1.5075e-08 5.9999e-04 - 1 advect 37 37 73 73 6.995 9.86263 8.9222e-17 1.2000e-03 1.4700e-06 5.9927e-04 + 1 advect 28 28 73 73 6.99499 9.74009 0.0000e+00 1.2000e-03 2.2797e-24 6.0000e-04 + 1 advect 29 29 73 73 6.99499 9.61682 0.0000e+00 1.2000e-03 1.8455e-22 6.0000e-04 + 1 advect 30 30 73 73 6.99499 9.76333 0.0000e+00 1.2000e-03 1.8154e-20 6.0000e-04 + 1 advect 31 31 73 73 6.99499 9.85885 0.0000e+00 1.2000e-03 1.7874e-18 6.0000e-04 + 1 advect 32 32 73 73 6.99499 9.97907 0.0000e+00 1.2000e-03 1.7471e-16 6.0000e-04 + 1 advect 33 33 73 73 6.99499 9.89144 0.0000e+00 1.2000e-03 1.6922e-14 6.0000e-04 + 1 advect 34 34 73 73 6.99499 9.95666 0.0000e+00 1.2000e-03 1.6269e-12 6.0000e-04 + 1 advect 35 35 73 73 6.99499 9.95057 5.2583e-23 1.2000e-03 1.5615e-10 6.0000e-04 + 1 advect 36 36 73 73 6.995 9.76749 6.8273e-20 1.2000e-03 1.5075e-08 5.9999e-04 + 1 advect 37 37 73 73 6.995 9.34265 8.9222e-17 1.2000e-03 1.4700e-06 5.9927e-04 1 advect 38 38 73 73 6.99522 10.9125 1.1059e-13 1.2000e-03 1.3659e-04 5.3171e-04 - 1 advect 39 39 73 73 6.99697 -1.4978 1.2781e-11 1.2000e-03 1.1925e-03 3.7399e-06 - 1 advect 40 40 73 73 6.99699 -1.49784 1.3869e-10 1.2000e-03 1.2000e-03 2.7576e-10 + 1 advect 39 39 73 73 6.99697 -1.49783 1.2781e-11 1.2000e-03 1.1925e-03 3.7399e-06 + 1 advect 40 40 73 73 6.99699 -1.49783 1.3869e-10 1.2000e-03 1.2000e-03 2.7576e-10 1 advect 1 1 74 74 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 74 74 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 74 74 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2949,19 +2949,19 @@ 1 advect 25 25 74 74 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 26 26 74 74 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 27 27 74 74 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 28 28 74 74 6.99499 9.51684 0.0000e+00 1.2000e-03 1.8753e-25 6.0000e-04 - 1 advect 29 29 74 74 6.99499 1.2508 0.0000e+00 1.2000e-03 1.7896e-23 6.0000e-04 - 1 advect 30 30 74 74 6.99499 9.8452 0.0000e+00 1.2000e-03 1.6630e-21 6.0000e-04 - 1 advect 31 31 74 74 6.99499 9.76567 0.0000e+00 1.2000e-03 1.6368e-19 6.0000e-04 - 1 advect 32 32 74 74 6.99499 0.831538 0.0000e+00 1.2000e-03 1.6007e-17 6.0000e-04 - 1 advect 33 33 74 74 6.99499 9.94944 0.0000e+00 1.2000e-03 1.5519e-15 6.0000e-04 - 1 advect 34 34 74 74 6.99499 9.82465 0.0000e+00 1.2000e-03 1.4932e-13 6.0000e-04 - 1 advect 35 35 74 74 6.99499 9.83509 9.2354e-25 1.2000e-03 1.4334e-11 6.0000e-04 - 1 advect 36 36 74 74 6.99499 9.93584 1.2508e-21 1.2000e-03 1.3830e-09 6.0000e-04 - 1 advect 37 37 74 74 6.995 -1.49586 1.6350e-18 1.2000e-03 1.3478e-07 5.9993e-04 - 1 advect 38 38 74 74 6.99502 9.88416 2.1387e-15 1.2000e-03 1.3205e-05 5.9340e-04 + 1 advect 28 28 74 74 6.99499 10.2796 0.0000e+00 1.2000e-03 1.8746e-25 6.0000e-04 + 1 advect 29 29 74 74 6.99499 9.78528 0.0000e+00 1.2000e-03 1.7879e-23 6.0000e-04 + 1 advect 30 30 74 74 6.99499 9.86739 0.0000e+00 1.2000e-03 1.6626e-21 6.0000e-04 + 1 advect 31 31 74 74 6.99499 9.8213 0.0000e+00 1.2000e-03 1.6367e-19 6.0000e-04 + 1 advect 32 32 74 74 6.99499 9.85311 0.0000e+00 1.2000e-03 1.6007e-17 6.0000e-04 + 1 advect 33 33 74 74 6.99499 9.99771 0.0000e+00 1.2000e-03 1.5519e-15 6.0000e-04 + 1 advect 34 34 74 74 6.99499 9.89177 0.0000e+00 1.2000e-03 1.4932e-13 6.0000e-04 + 1 advect 35 35 74 74 6.99499 10.277 9.2357e-25 1.2000e-03 1.4334e-11 6.0000e-04 + 1 advect 36 36 74 74 6.99499 9.96841 1.2508e-21 1.2000e-03 1.3830e-09 6.0000e-04 + 1 advect 37 37 74 74 6.995 -1.49588 1.6350e-18 1.2000e-03 1.3478e-07 5.9993e-04 + 1 advect 38 38 74 74 6.99502 0.876373 2.1387e-15 1.2000e-03 1.3205e-05 5.9340e-04 1 advect 39 39 74 74 6.99627 10.9867 1.6799e-12 1.2000e-03 7.8082e-04 2.0959e-04 - 1 advect 40 40 74 74 6.99699 -1.64834 3.2281e-11 1.2000e-03 1.1999e-03 3.9374e-08 + 1 advect 40 40 74 74 6.99699 -1.64836 3.2281e-11 1.2000e-03 1.1999e-03 3.9374e-08 1 advect 1 1 75 75 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 75 75 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 75 75 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -2990,17 +2990,17 @@ 1 advect 26 26 75 75 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 27 27 75 75 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 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1 advect 31 31 75 75 6.99499 9.80537 0.0000e+00 1.2000e-03 1.4988e-20 6.0000e-04 + 1 advect 32 32 75 75 6.99499 9.88681 0.0000e+00 1.2000e-03 1.4668e-18 6.0000e-04 + 1 advect 33 33 75 75 6.99499 9.80651 0.0000e+00 1.2000e-03 1.4231e-16 6.0000e-04 + 1 advect 34 34 75 75 6.99499 10.0145 0.0000e+00 1.2000e-03 1.3703e-14 6.0000e-04 + 1 advect 35 35 75 75 6.99499 9.90793 0.0000e+00 1.2000e-03 1.3158e-12 6.0000e-04 + 1 advect 36 36 75 75 6.99499 9.97347 2.2876e-23 1.2000e-03 1.2688e-10 6.0000e-04 + 1 advect 37 37 75 75 6.995 9.98689 2.9948e-20 1.2000e-03 1.2353e-08 5.9999e-04 1 advect 38 38 75 75 6.995 -1.64639 3.9357e-17 1.2000e-03 1.2150e-06 5.9939e-04 - 1 advect 39 39 75 75 6.99518 -1.49605 4.9370e-14 1.2000e-03 1.1463e-04 5.4268e-04 + 1 advect 39 39 75 75 6.99518 -1.49607 4.9370e-14 1.2000e-03 1.1463e-04 5.4268e-04 1 advect 40 40 75 75 6.99697 10.9107 6.7673e-12 1.2000e-03 1.1890e-03 5.4946e-06 1 advect 1 1 76 76 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 76 76 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3030,18 +3030,18 @@ 1 advect 26 26 76 76 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 27 27 76 76 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 28 28 76 76 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 29 29 76 76 6.99499 10.1724 0.0000e+00 1.2000e-03 1.5069e-25 6.0000e-04 - 1 advect 30 30 76 76 6.99499 1.1802 0.0000e+00 1.2000e-03 1.4788e-23 6.0000e-04 - 1 advect 31 31 76 76 6.99499 9.70637 0.0000e+00 1.2000e-03 1.3740e-21 6.0000e-04 - 1 advect 32 32 76 76 6.99499 9.89648 0.0000e+00 1.2000e-03 1.3441e-19 6.0000e-04 - 1 advect 33 33 76 76 6.99499 9.9165 0.0000e+00 1.2000e-03 1.3049e-17 6.0000e-04 - 1 advect 34 34 76 76 6.99499 0.574288 0.0000e+00 1.2000e-03 1.2575e-15 6.0000e-04 - 1 advect 35 35 76 76 6.99499 9.95414 0.0000e+00 1.2000e-03 1.2078e-13 6.0000e-04 - 1 advect 36 36 76 76 6.99499 10.0833 4.0180e-25 1.2000e-03 1.1642e-11 6.0000e-04 - 1 advect 37 37 76 76 6.99499 9.9074 5.4848e-22 1.2000e-03 1.1323e-09 6.0000e-04 - 1 advect 38 38 76 76 6.995 9.93015 7.2101e-19 1.2000e-03 1.1129e-07 5.9994e-04 - 1 advect 39 39 76 76 6.99501 -1.6464 9.4591e-16 1.2000e-03 1.0975e-05 5.9451e-04 - 1 advect 40 40 76 76 6.99615 -1.49701 8.0510e-13 1.2000e-03 7.0494e-04 2.4753e-04 + 1 advect 29 29 76 76 6.99499 10.2795 0.0000e+00 1.2000e-03 1.3806e-25 6.0000e-04 + 1 advect 30 30 76 76 6.99499 9.7284 0.0000e+00 1.2000e-03 1.4777e-23 6.0000e-04 + 1 advect 31 31 76 76 6.99499 9.8028 0.0000e+00 1.2000e-03 1.3768e-21 6.0000e-04 + 1 advect 32 32 76 76 6.99499 9.83643 0.0000e+00 1.2000e-03 1.3441e-19 6.0000e-04 + 1 advect 33 33 76 76 6.99499 9.90243 0.0000e+00 1.2000e-03 1.3049e-17 6.0000e-04 + 1 advect 34 34 76 76 6.99499 9.8011 0.0000e+00 1.2000e-03 1.2575e-15 6.0000e-04 + 1 advect 35 35 76 76 6.99499 10.0325 0.0000e+00 1.2000e-03 1.2078e-13 6.0000e-04 + 1 advect 36 36 76 76 6.99499 10.1666 4.0180e-25 1.2000e-03 1.1642e-11 6.0000e-04 + 1 advect 37 37 76 76 6.99499 9.98171 5.4848e-22 1.2000e-03 1.1323e-09 6.0000e-04 + 1 advect 38 38 76 76 6.995 9.9693 7.2101e-19 1.2000e-03 1.1129e-07 5.9994e-04 + 1 advect 39 39 76 76 6.99501 -1.64641 9.4591e-16 1.2000e-03 1.0975e-05 5.9451e-04 + 1 advect 40 40 76 76 6.99615 -1.49703 8.0510e-13 1.2000e-03 7.0494e-04 2.4753e-04 1 advect 1 1 77 77 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 77 77 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 77 77 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3071,16 +3071,16 @@ 1 advect 27 27 77 77 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 28 28 77 77 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 29 29 77 77 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 30 30 77 77 6.99499 9.84203 0.0000e+00 1.2000e-03 1.6676e-24 6.0000e-04 - 1 advect 31 31 77 77 6.99499 1.09159 0.0000e+00 1.2000e-03 1.2961e-22 6.0000e-04 - 1 advect 32 32 77 77 6.99499 9.83895 0.0000e+00 1.2000e-03 1.2316e-20 6.0000e-04 - 1 advect 33 33 77 77 6.99499 9.82547 0.0000e+00 1.2000e-03 1.1967e-18 6.0000e-04 - 1 advect 34 34 77 77 6.99499 9.91971 0.0000e+00 1.2000e-03 1.1538e-16 6.0000e-04 - 1 advect 35 35 77 77 6.99499 0.553705 0.0000e+00 1.2000e-03 1.1086e-14 6.0000e-04 - 1 advect 36 36 77 77 6.99499 9.96097 0.0000e+00 1.2000e-03 1.0682e-12 6.0000e-04 - 1 advect 37 37 77 77 6.99499 9.86194 1.0028e-23 1.2000e-03 1.0380e-10 6.0000e-04 - 1 advect 38 38 77 77 6.995 9.91844 1.3203e-20 1.2000e-03 1.0192e-08 5.9999e-04 - 1 advect 39 39 77 77 6.995 9.88444 1.7391e-17 1.2000e-03 1.0084e-06 5.9950e-04 + 1 advect 30 30 77 77 6.99499 9.90614 0.0000e+00 1.2000e-03 1.6077e-24 6.0000e-04 + 1 advect 31 31 77 77 6.99499 9.76106 0.0000e+00 1.2000e-03 1.2981e-22 6.0000e-04 + 1 advect 32 32 77 77 6.99499 9.81412 0.0000e+00 1.2000e-03 1.2319e-20 6.0000e-04 + 1 advect 33 33 77 77 6.99499 9.88574 0.0000e+00 1.2000e-03 1.1967e-18 6.0000e-04 + 1 advect 34 34 77 77 6.99499 9.91127 0.0000e+00 1.2000e-03 1.1538e-16 6.0000e-04 + 1 advect 35 35 77 77 6.99499 9.85005 0.0000e+00 1.2000e-03 1.1086e-14 6.0000e-04 + 1 advect 36 36 77 77 6.99499 10.0204 0.0000e+00 1.2000e-03 1.0682e-12 6.0000e-04 + 1 advect 37 37 77 77 6.99499 9.91562 1.0028e-23 1.2000e-03 1.0380e-10 6.0000e-04 + 1 advect 38 38 77 77 6.995 9.94803 1.3203e-20 1.2000e-03 1.0192e-08 5.9999e-04 + 1 advect 39 39 77 77 6.995 9.96581 1.7391e-17 1.2000e-03 1.0084e-06 5.9950e-04 1 advect 40 40 77 77 6.99515 -1.64654 2.1968e-14 1.2000e-03 9.6079e-05 5.5196e-04 1 advect 1 1 78 78 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 78 78 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3111,17 +3111,17 @@ 1 advect 27 27 78 78 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 28 28 78 78 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 29 29 78 78 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 30 30 78 78 6.99499 10.1723 0.0000e+00 1.2000e-03 1.3713e-25 6.0000e-04 - 1 advect 31 31 78 78 6.99499 9.80853 0.0000e+00 1.2000e-03 1.2668e-23 6.0000e-04 - 1 advect 32 32 78 78 6.99499 1.4494 0.0000e+00 1.2000e-03 1.1334e-21 6.0000e-04 - 1 advect 33 33 78 78 6.99499 9.72297 0.0000e+00 1.2000e-03 1.0973e-19 6.0000e-04 - 1 advect 34 34 78 78 6.99499 9.89061 0.0000e+00 1.2000e-03 1.0587e-17 6.0000e-04 - 1 advect 35 35 78 78 6.99499 9.91695 0.0000e+00 1.2000e-03 1.0175e-15 6.0000e-04 - 1 advect 36 36 78 78 6.99499 0.546762 0.0000e+00 1.2000e-03 9.8015e-14 6.0000e-04 - 1 advect 37 37 78 78 6.99499 9.98459 1.7613e-25 1.2000e-03 9.5161e-12 6.0000e-04 - 1 advect 38 38 78 78 6.99499 9.90559 2.4175e-22 1.2000e-03 9.3337e-10 6.0000e-04 - 1 advect 39 39 78 78 6.995 9.92348 3.1854e-19 1.2000e-03 9.2306e-08 5.9995e-04 - 1 advect 40 40 78 78 6.99501 9.88648 4.1771e-16 1.2000e-03 9.1269e-06 5.9544e-04 + 1 advect 30 30 78 78 6.99499 10.1716 0.0000e+00 1.2000e-03 1.3221e-25 6.0000e-04 + 1 advect 31 31 78 78 6.99499 9.7063 0.0000e+00 1.2000e-03 1.2582e-23 6.0000e-04 + 1 advect 32 32 78 78 6.99499 9.7398 0.0000e+00 1.2000e-03 1.1324e-21 6.0000e-04 + 1 advect 33 33 78 78 6.99499 9.77526 0.0000e+00 1.2000e-03 1.0974e-19 6.0000e-04 + 1 advect 34 34 78 78 6.99499 9.9114 0.0000e+00 1.2000e-03 1.0587e-17 6.0000e-04 + 1 advect 35 35 78 78 6.99499 9.90625 0.0000e+00 1.2000e-03 1.0175e-15 6.0000e-04 + 1 advect 36 36 78 78 6.99499 9.87856 0.0000e+00 1.2000e-03 9.8015e-14 6.0000e-04 + 1 advect 37 37 78 78 6.99499 10.0119 1.7613e-25 1.2000e-03 9.5161e-12 6.0000e-04 + 1 advect 38 38 78 78 6.99499 9.94176 2.4175e-22 1.2000e-03 9.3337e-10 6.0000e-04 + 1 advect 39 39 78 78 6.995 9.93291 3.1854e-19 1.2000e-03 9.2306e-08 5.9995e-04 + 1 advect 40 40 78 78 6.99501 9.97256 4.1771e-16 1.2000e-03 9.1269e-06 5.9544e-04 1 advect 1 1 79 79 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 79 79 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 79 79 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3152,16 +3152,16 @@ 1 advect 28 28 79 79 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 29 29 79 79 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 30 30 79 79 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 31 31 79 79 6.99499 9.85551 0.0000e+00 1.2000e-03 1.4670e-24 6.0000e-04 - 1 advect 32 32 79 79 6.99499 9.83414 0.0000e+00 1.2000e-03 1.0764e-22 6.0000e-04 - 1 advect 33 33 79 79 6.99499 9.73556 0.0000e+00 1.2000e-03 1.0066e-20 6.0000e-04 - 1 advect 34 34 79 79 6.99499 1.20935 0.0000e+00 1.2000e-03 9.7132e-19 6.0000e-04 - 1 advect 35 35 79 79 6.99499 9.89638 0.0000e+00 1.2000e-03 9.3393e-17 6.0000e-04 - 1 advect 36 36 79 79 6.99499 9.88258 0.0000e+00 1.2000e-03 8.9940e-15 6.0000e-04 - 1 advect 37 37 79 79 6.99499 0.490803 0.0000e+00 1.2000e-03 8.7250e-13 6.0000e-04 - 1 advect 38 38 79 79 6.99499 9.99575 4.4191e-24 1.2000e-03 8.5488e-11 6.0000e-04 - 1 advect 39 39 79 79 6.995 9.85076 5.8326e-21 1.2000e-03 8.4475e-09 6.0000e-04 - 1 advect 40 40 79 79 6.995 9.91758 7.6748e-18 1.2000e-03 8.3782e-07 5.9958e-04 + 1 advect 31 31 79 79 6.99499 9.79545 0.0000e+00 1.2000e-03 1.4379e-24 6.0000e-04 + 1 advect 32 32 79 79 6.99499 9.75729 0.0000e+00 1.2000e-03 1.0744e-22 6.0000e-04 + 1 advect 33 33 79 79 6.99499 9.78353 0.0000e+00 1.2000e-03 1.0066e-20 6.0000e-04 + 1 advect 34 34 79 79 6.99499 9.75886 0.0000e+00 1.2000e-03 9.7150e-19 6.0000e-04 + 1 advect 35 35 79 79 6.99499 9.90761 0.0000e+00 1.2000e-03 9.3393e-17 6.0000e-04 + 1 advect 36 36 79 79 6.99499 9.88514 0.0000e+00 1.2000e-03 8.9940e-15 6.0000e-04 + 1 advect 37 37 79 79 6.99499 9.87407 0.0000e+00 1.2000e-03 8.7250e-13 6.0000e-04 + 1 advect 38 38 79 79 6.99499 10.0242 4.4191e-24 1.2000e-03 8.5488e-11 6.0000e-04 + 1 advect 39 39 79 79 6.995 9.96224 5.8326e-21 1.2000e-03 8.4475e-09 6.0000e-04 + 1 advect 40 40 79 79 6.995 9.94033 7.6748e-18 1.2000e-03 8.3782e-07 5.9958e-04 1 advect 1 1 80 80 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 80 80 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 80 80 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3192,16 +3192,16 @@ 1 advect 28 28 80 80 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 29 29 80 80 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 30 30 80 80 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 31 31 80 80 6.99499 9.76409 0.0000e+00 1.2000e-03 1.2063e-25 6.0000e-04 - 1 advect 32 32 80 80 6.99499 9.8424 0.0000e+00 1.2000e-03 1.0662e-23 6.0000e-04 - 1 advect 33 33 80 80 6.99499 9.83574 0.0000e+00 1.2000e-03 9.2680e-22 6.0000e-04 - 1 advect 34 34 80 80 6.99499 1.03318 0.0000e+00 1.2000e-03 8.9130e-20 6.0000e-04 - 1 advect 35 35 80 80 6.99499 9.68187 0.0000e+00 1.2000e-03 8.5715e-18 6.0000e-04 - 1 advect 36 36 80 80 6.99499 9.89597 0.0000e+00 1.2000e-03 8.2532e-16 6.0000e-04 - 1 advect 37 37 80 80 6.99499 9.91274 0.0000e+00 1.2000e-03 8.0003e-14 6.0000e-04 - 1 advect 38 38 80 80 6.99499 0.468523 0.0000e+00 1.2000e-03 7.8307e-12 6.0000e-04 - 1 advect 39 39 80 80 6.99499 9.99467 1.0678e-22 1.2000e-03 7.7313e-10 6.0000e-04 - 1 advect 40 40 80 80 6.995 9.87473 1.4057e-19 1.2000e-03 7.6671e-08 5.9996e-04 + 1 advect 31 31 80 80 6.99499 9.4042 0.0000e+00 1.2000e-03 1.1824e-25 6.0000e-04 + 1 advect 32 32 80 80 6.99499 9.59319 0.0000e+00 1.2000e-03 1.0596e-23 6.0000e-04 + 1 advect 33 33 80 80 6.99499 9.81457 0.0000e+00 1.2000e-03 9.2658e-22 6.0000e-04 + 1 advect 34 34 80 80 6.99499 9.78553 0.0000e+00 1.2000e-03 8.9148e-20 6.0000e-04 + 1 advect 35 35 80 80 6.99499 9.77916 0.0000e+00 1.2000e-03 8.5716e-18 6.0000e-04 + 1 advect 36 36 80 80 6.99499 9.90335 0.0000e+00 1.2000e-03 8.2532e-16 6.0000e-04 + 1 advect 37 37 80 80 6.99499 9.9166 0.0000e+00 1.2000e-03 8.0003e-14 6.0000e-04 + 1 advect 38 38 80 80 6.99499 9.88309 0.0000e+00 1.2000e-03 7.8307e-12 6.0000e-04 + 1 advect 39 39 80 80 6.99499 10.0237 1.0678e-22 1.2000e-03 7.7313e-10 6.0000e-04 + 1 advect 40 40 80 80 6.995 9.96496 1.4057e-19 1.2000e-03 7.6671e-08 5.9996e-04 1 advect 1 1 81 81 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 81 81 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 81 81 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3233,15 +3233,15 @@ 1 advect 29 29 81 81 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 30 30 81 81 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 31 31 81 81 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 32 32 81 81 6.99499 9.78743 0.0000e+00 1.2000e-03 1.2599e-24 6.0000e-04 - 1 advect 33 33 81 81 6.99499 9.8379 0.0000e+00 1.2000e-03 8.8503e-23 6.0000e-04 - 1 advect 34 34 81 81 6.99499 9.85556 0.0000e+00 1.2000e-03 8.1820e-21 6.0000e-04 - 1 advect 35 35 81 81 6.99499 1.2828 0.0000e+00 1.2000e-03 7.8675e-19 6.0000e-04 - 1 advect 36 36 81 81 6.99499 9.99287 0.0000e+00 1.2000e-03 7.5736e-17 6.0000e-04 - 1 advect 37 37 81 81 6.99499 9.91766 0.0000e+00 1.2000e-03 7.3364e-15 6.0000e-04 - 1 advect 38 38 81 81 6.99499 9.86547 0.0000e+00 1.2000e-03 7.1737e-13 6.0000e-04 - 1 advect 39 39 81 81 6.99499 0.43753 1.8756e-24 1.2000e-03 7.0764e-11 6.0000e-04 - 1 advect 40 40 81 81 6.995 9.99232 2.5740e-21 1.2000e-03 7.0147e-09 6.0000e-04 + 1 advect 32 32 81 81 6.99499 0.778075 0.0000e+00 1.2000e-03 1.2113e-24 6.0000e-04 + 1 advect 33 33 81 81 6.99499 9.45149 0.0000e+00 1.2000e-03 8.8381e-23 6.0000e-04 + 1 advect 34 34 81 81 6.99499 9.82384 0.0000e+00 1.2000e-03 8.1832e-21 6.0000e-04 + 1 advect 35 35 81 81 6.99499 9.87112 0.0000e+00 1.2000e-03 7.8687e-19 6.0000e-04 + 1 advect 36 36 81 81 6.99499 9.81358 0.0000e+00 1.2000e-03 7.5736e-17 6.0000e-04 + 1 advect 37 37 81 81 6.99499 9.93712 0.0000e+00 1.2000e-03 7.3364e-15 6.0000e-04 + 1 advect 38 38 81 81 6.99499 9.87544 0.0000e+00 1.2000e-03 7.1737e-13 6.0000e-04 + 1 advect 39 39 81 81 6.99499 9.95195 1.8756e-24 1.2000e-03 7.0764e-11 6.0000e-04 + 1 advect 40 40 81 81 6.995 10.0186 2.5740e-21 1.2000e-03 7.0147e-09 6.0000e-04 1 advect 1 1 82 82 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 82 82 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 82 82 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3273,15 +3273,15 @@ 1 advect 29 29 82 82 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 30 30 82 82 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 31 31 82 82 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 32 32 82 82 6.99499 10.1714 0.0000e+00 1.2000e-03 1.0361e-25 6.0000e-04 - 1 advect 33 33 82 82 6.99499 9.78454 0.0000e+00 1.2000e-03 8.8603e-24 6.0000e-04 - 1 advect 34 34 82 82 6.99499 9.84181 0.0000e+00 1.2000e-03 7.5428e-22 6.0000e-04 - 1 advect 35 35 82 82 6.99499 9.86121 0.0000e+00 1.2000e-03 7.2223e-20 6.0000e-04 - 1 advect 36 36 82 82 6.99499 0.864297 0.0000e+00 1.2000e-03 6.9501e-18 6.0000e-04 - 1 advect 37 37 82 82 6.99499 10.5464 0.0000e+00 1.2000e-03 6.7281e-16 6.0000e-04 - 1 advect 38 38 82 82 6.99499 9.95966 0.0000e+00 1.2000e-03 6.5725e-14 6.0000e-04 - 1 advect 39 39 82 82 6.99499 9.79684 0.0000e+00 1.2000e-03 6.4776e-12 6.0000e-04 - 1 advect 40 40 82 82 6.99499 0.514584 4.7052e-23 1.2000e-03 6.4179e-10 6.0000e-04 + 1 advect 32 32 82 82 6.99499 0.826841 0.0000e+00 1.2000e-03 9.9607e-26 6.0000e-04 + 1 advect 33 33 82 82 6.99499 1.16425 0.0000e+00 1.2000e-03 8.7656e-24 6.0000e-04 + 1 advect 34 34 82 82 6.99499 8.89014 0.0000e+00 1.2000e-03 7.6076e-22 6.0000e-04 + 1 advect 35 35 82 82 6.99499 9.84057 0.0000e+00 1.2000e-03 7.2234e-20 6.0000e-04 + 1 advect 36 36 82 82 6.99499 9.90126 0.0000e+00 1.2000e-03 6.9502e-18 6.0000e-04 + 1 advect 37 37 82 82 6.99499 9.87587 0.0000e+00 1.2000e-03 6.7281e-16 6.0000e-04 + 1 advect 38 38 82 82 6.99499 9.9483 0.0000e+00 1.2000e-03 6.5725e-14 6.0000e-04 + 1 advect 39 39 82 82 6.99499 9.82731 0.0000e+00 1.2000e-03 6.4776e-12 6.0000e-04 + 1 advect 40 40 82 82 6.99499 9.94474 4.7052e-23 1.2000e-03 6.4179e-10 6.0000e-04 1 advect 1 1 83 83 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 83 83 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 83 83 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3314,14 +3314,14 @@ 1 advect 30 30 83 83 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 31 31 83 83 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 32 32 83 83 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 33 33 83 83 6.99499 9.80229 0.0000e+00 1.2000e-03 1.0634e-24 6.0000e-04 - 1 advect 34 34 83 83 6.99499 9.79209 0.0000e+00 1.2000e-03 7.2323e-23 6.0000e-04 - 1 advect 35 35 83 83 6.99499 9.86525 0.0000e+00 1.2000e-03 6.6330e-21 6.0000e-04 - 1 advect 36 36 83 83 6.99499 9.92228 0.0000e+00 1.2000e-03 6.3796e-19 6.0000e-04 - 1 advect 37 37 83 83 6.99499 0.713887 0.0000e+00 1.2000e-03 6.1706e-17 6.0000e-04 - 1 advect 38 38 83 83 6.99499 9.81938 0.0000e+00 1.2000e-03 6.0223e-15 6.0000e-04 - 1 advect 39 39 83 83 6.99499 9.94081 0.0000e+00 1.2000e-03 5.9299e-13 6.0000e-04 - 1 advect 40 40 83 83 6.99499 9.82914 8.2642e-25 1.2000e-03 5.8722e-11 6.0000e-04 + 1 advect 33 33 83 83 6.99499 0.862761 0.0000e+00 1.2000e-03 9.6872e-25 6.0000e-04 + 1 advect 34 34 83 83 6.99499 0.878734 0.0000e+00 1.2000e-03 7.2670e-23 6.0000e-04 + 1 advect 35 35 83 83 6.99499 9.36723 0.0000e+00 1.2000e-03 6.6415e-21 6.0000e-04 + 1 advect 36 36 83 83 6.99499 9.82348 0.0000e+00 1.2000e-03 6.3798e-19 6.0000e-04 + 1 advect 37 37 83 83 6.99499 9.87062 0.0000e+00 1.2000e-03 6.1706e-17 6.0000e-04 + 1 advect 38 38 83 83 6.99499 9.85643 0.0000e+00 1.2000e-03 6.0223e-15 6.0000e-04 + 1 advect 39 39 83 83 6.99499 9.89781 0.0000e+00 1.2000e-03 5.9299e-13 6.0000e-04 + 1 advect 40 40 83 83 6.99499 10.3672 8.2642e-25 1.2000e-03 5.8722e-11 6.0000e-04 1 advect 1 1 84 84 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 84 84 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 84 84 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3355,13 +3355,13 @@ 1 advect 31 31 84 84 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 32 32 84 84 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 33 33 84 84 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 34 34 84 84 6.99499 9.76797 0.0000e+00 1.2000e-03 7.3009e-24 6.0000e-04 - 1 advect 35 35 84 84 6.99499 9.8061 0.0000e+00 1.2000e-03 6.1201e-22 6.0000e-04 - 1 advect 36 36 84 84 6.99499 9.86997 0.0000e+00 1.2000e-03 5.8563e-20 6.0000e-04 - 1 advect 37 37 84 84 6.99499 9.9409 0.0000e+00 1.2000e-03 5.6598e-18 6.0000e-04 - 1 advect 38 38 84 84 6.99499 0.590726 0.0000e+00 1.2000e-03 5.5187e-16 6.0000e-04 - 1 advect 39 39 84 84 6.99499 0.572773 0.0000e+00 1.2000e-03 5.4291e-14 6.0000e-04 - 1 advect 40 40 84 84 6.99499 9.94938 0.0000e+00 1.2000e-03 5.3731e-12 6.0000e-04 + 1 advect 34 34 84 84 6.99499 0.807632 0.0000e+00 1.2000e-03 7.1603e-24 6.0000e-04 + 1 advect 35 35 84 84 6.99499 1.04643 0.0000e+00 1.2000e-03 6.1304e-22 6.0000e-04 + 1 advect 36 36 84 84 6.99499 0.980129 0.0000e+00 1.2000e-03 5.8630e-20 6.0000e-04 + 1 advect 37 37 84 84 6.99499 9.84051 0.0000e+00 1.2000e-03 5.6598e-18 6.0000e-04 + 1 advect 38 38 84 84 6.99499 9.91974 0.0000e+00 1.2000e-03 5.5187e-16 6.0000e-04 + 1 advect 39 39 84 84 6.99499 9.82936 0.0000e+00 1.2000e-03 5.4291e-14 6.0000e-04 + 1 advect 40 40 84 84 6.99499 9.91328 0.0000e+00 1.2000e-03 5.3731e-12 6.0000e-04 1 advect 1 1 85 85 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 85 85 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 85 85 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3395,13 +3395,13 @@ 1 advect 31 31 85 85 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 32 32 85 85 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 33 33 85 85 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 34 34 85 85 6.99499 10.172 0.0000e+00 1.2000e-03 6.0038e-25 6.0000e-04 - 1 advect 35 35 85 85 6.99499 9.75758 0.0000e+00 1.2000e-03 5.8864e-23 6.0000e-04 - 1 advect 36 36 85 85 6.99499 9.83093 0.0000e+00 1.2000e-03 5.3788e-21 6.0000e-04 - 1 advect 37 37 85 85 6.99499 9.85738 0.0000e+00 1.2000e-03 5.1929e-19 6.0000e-04 - 1 advect 38 38 85 85 6.99499 9.92858 0.0000e+00 1.2000e-03 5.0577e-17 6.0000e-04 - 1 advect 39 39 85 85 6.99499 1.24771 0.0000e+00 1.2000e-03 4.9710e-15 6.0000e-04 - 1 advect 40 40 85 85 6.99499 0.773763 0.0000e+00 1.2000e-03 4.9168e-13 6.0000e-04 + 1 advect 34 34 85 85 6.99499 0.845629 0.0000e+00 1.2000e-03 5.8881e-25 6.0000e-04 + 1 advect 35 35 85 85 6.99499 0.893735 0.0000e+00 1.2000e-03 5.8715e-23 6.0000e-04 + 1 advect 36 36 85 85 6.99499 1.04406 0.0000e+00 1.2000e-03 5.3852e-21 6.0000e-04 + 1 advect 37 37 85 85 6.99499 10.5591 0.0000e+00 1.2000e-03 5.1924e-19 6.0000e-04 + 1 advect 38 38 85 85 6.99499 9.89342 0.0000e+00 1.2000e-03 5.0577e-17 6.0000e-04 + 1 advect 39 39 85 85 6.99499 9.87544 0.0000e+00 1.2000e-03 4.9710e-15 6.0000e-04 + 1 advect 40 40 85 85 6.99499 9.87038 0.0000e+00 1.2000e-03 4.9168e-13 6.0000e-04 1 advect 1 1 86 86 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 86 86 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 86 86 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3436,12 +3436,12 @@ 1 advect 32 32 86 86 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 33 33 86 86 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 34 34 86 86 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 35 35 86 86 6.99499 9.76368 0.0000e+00 1.2000e-03 5.5020e-24 6.0000e-04 - 1 advect 36 36 86 86 6.99499 9.81705 0.0000e+00 1.2000e-03 4.9649e-22 6.0000e-04 - 1 advect 37 37 86 86 6.99499 9.7922 0.0000e+00 1.2000e-03 4.7650e-20 6.0000e-04 - 1 advect 38 38 86 86 6.99499 9.87698 0.0000e+00 1.2000e-03 4.6357e-18 6.0000e-04 - 1 advect 39 39 86 86 6.99499 9.92545 0.0000e+00 1.2000e-03 4.5520e-16 6.0000e-04 - 1 advect 40 40 86 86 6.99499 9.3818 0.0000e+00 1.2000e-03 4.4995e-14 6.0000e-04 + 1 advect 35 35 86 86 6.99499 0.890972 0.0000e+00 1.2000e-03 5.4731e-24 6.0000e-04 + 1 advect 36 36 86 86 6.99499 0.784284 0.0000e+00 1.2000e-03 4.9688e-22 6.0000e-04 + 1 advect 37 37 86 86 6.99499 0.972378 0.0000e+00 1.2000e-03 4.7642e-20 6.0000e-04 + 1 advect 38 38 86 86 6.99499 9.87822 0.0000e+00 1.2000e-03 4.6356e-18 6.0000e-04 + 1 advect 39 39 86 86 6.99499 9.90215 0.0000e+00 1.2000e-03 4.5520e-16 6.0000e-04 + 1 advect 40 40 86 86 6.99499 9.86589 0.0000e+00 1.2000e-03 4.4995e-14 6.0000e-04 1 advect 1 1 87 87 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 87 87 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 87 87 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3476,12 +3476,12 @@ 1 advect 32 32 87 87 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 33 33 87 87 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 34 34 87 87 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 35 35 87 87 6.99499 9.88373 0.0000e+00 1.2000e-03 4.5245e-25 6.0000e-04 - 1 advect 36 36 87 87 6.99499 9.77938 0.0000e+00 1.2000e-03 4.7080e-23 6.0000e-04 - 1 advect 37 37 87 87 6.99499 9.82127 0.0000e+00 1.2000e-03 4.3751e-21 6.0000e-04 - 1 advect 38 38 87 87 6.99499 9.87283 0.0000e+00 1.2000e-03 4.2503e-19 6.0000e-04 - 1 advect 39 39 87 87 6.99499 9.86064 0.0000e+00 1.2000e-03 4.1688e-17 6.0000e-04 - 1 advect 40 40 87 87 6.99499 9.93142 0.0000e+00 1.2000e-03 4.1179e-15 6.0000e-04 + 1 advect 35 35 87 87 6.99499 1.11128 0.0000e+00 1.2000e-03 4.5007e-25 6.0000e-04 + 1 advect 36 36 87 87 6.99499 1.08094 0.0000e+00 1.2000e-03 4.7065e-23 6.0000e-04 + 1 advect 37 37 87 87 6.99499 0.866614 0.0000e+00 1.2000e-03 4.3748e-21 6.0000e-04 + 1 advect 38 38 87 87 6.99499 2.717 0.0000e+00 1.2000e-03 4.2502e-19 6.0000e-04 + 1 advect 39 39 87 87 6.99499 9.85015 0.0000e+00 1.2000e-03 4.1688e-17 6.0000e-04 + 1 advect 40 40 87 87 6.99499 9.90966 0.0000e+00 1.2000e-03 4.1179e-15 6.0000e-04 1 advect 1 1 88 88 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 88 88 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 88 88 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3517,11 +3517,11 @@ 1 advect 33 33 88 88 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 34 34 88 88 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 35 35 88 88 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 36 36 88 88 6.99499 9.17973 0.0000e+00 1.2000e-03 4.3596e-24 6.0000e-04 - 1 advect 37 37 88 88 6.99499 9.76774 0.0000e+00 1.2000e-03 4.0310e-22 6.0000e-04 - 1 advect 38 38 88 88 6.99499 9.81481 0.0000e+00 1.2000e-03 3.8976e-20 6.0000e-04 - 1 advect 39 39 88 88 6.99499 9.86464 0.0000e+00 1.2000e-03 3.8182e-18 6.0000e-04 - 1 advect 40 40 88 88 6.99499 9.87633 0.0000e+00 1.2000e-03 3.7689e-16 6.0000e-04 + 1 advect 36 36 88 88 6.99499 1.23691 0.0000e+00 1.2000e-03 4.3550e-24 6.0000e-04 + 1 advect 37 37 88 88 6.99499 1.18191 0.0000e+00 1.2000e-03 4.0306e-22 6.0000e-04 + 1 advect 38 38 88 88 6.99499 0.946673 0.0000e+00 1.2000e-03 3.8974e-20 6.0000e-04 + 1 advect 39 39 88 88 6.99499 10.0831 0.0000e+00 1.2000e-03 3.8182e-18 6.0000e-04 + 1 advect 40 40 88 88 6.99499 9.8308 0.0000e+00 1.2000e-03 3.7689e-16 6.0000e-04 1 advect 1 1 89 89 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 89 89 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 89 89 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3557,11 +3557,11 @@ 1 advect 33 33 89 89 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 34 34 89 89 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 35 35 89 89 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 36 36 89 89 6.99499 10.1719 0.0000e+00 1.2000e-03 3.5851e-25 6.0000e-04 - 1 advect 37 37 89 89 6.99499 1.40507 0.0000e+00 1.2000e-03 3.7488e-23 6.0000e-04 - 1 advect 38 38 89 89 6.99499 9.76101 0.0000e+00 1.2000e-03 3.5759e-21 6.0000e-04 - 1 advect 39 39 89 89 6.99499 9.88375 0.0000e+00 1.2000e-03 3.4983e-19 6.0000e-04 - 1 advect 40 40 89 89 6.99499 9.87281 0.0000e+00 1.2000e-03 3.4497e-17 6.0000e-04 + 1 advect 36 36 89 89 6.99499 8.98839 0.0000e+00 1.2000e-03 3.5813e-25 6.0000e-04 + 1 advect 37 37 89 89 6.99499 1.1693 0.0000e+00 1.2000e-03 3.8046e-23 6.0000e-04 + 1 advect 38 38 89 89 6.99499 1.106 0.0000e+00 1.2000e-03 3.5757e-21 6.0000e-04 + 1 advect 39 39 89 89 6.99499 0.963721 0.0000e+00 1.2000e-03 3.4982e-19 6.0000e-04 + 1 advect 40 40 89 89 6.99499 9.77691 0.0000e+00 1.2000e-03 3.4497e-17 6.0000e-04 1 advect 1 1 90 90 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 90 90 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 90 90 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3598,10 +3598,10 @@ 1 advect 34 34 90 90 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 35 35 90 90 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 36 36 90 90 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 37 37 90 90 6.99499 9.7685 0.0000e+00 1.2000e-03 3.4688e-24 6.0000e-04 - 1 advect 38 38 90 90 6.99499 1.49524 0.0000e+00 1.2000e-03 3.2854e-22 6.0000e-04 - 1 advect 39 39 90 90 6.99499 9.7912 0.0000e+00 1.2000e-03 3.2056e-20 6.0000e-04 - 1 advect 40 40 90 90 6.99499 9.87508 0.0000e+00 1.2000e-03 3.1579e-18 6.0000e-04 + 1 advect 37 37 90 90 6.99499 1.20868 0.0000e+00 1.2000e-03 3.5820e-24 6.0000e-04 + 1 advect 38 38 90 90 6.99499 1.54756 0.0000e+00 1.2000e-03 3.2904e-22 6.0000e-04 + 1 advect 39 39 90 90 6.99499 1.02168 0.0000e+00 1.2000e-03 3.2050e-20 6.0000e-04 + 1 advect 40 40 90 90 6.99499 10.1712 0.0000e+00 1.2000e-03 3.1579e-18 6.0000e-04 1 advect 1 1 91 91 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 91 91 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 91 91 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3638,10 +3638,10 @@ 1 advect 34 34 91 91 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 35 35 91 91 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 36 36 91 91 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 37 37 91 91 6.99499 0.764798 0.0000e+00 1.2000e-03 2.8526e-25 6.0000e-04 - 1 advect 38 38 91 91 6.99499 9.79036 0.0000e+00 1.2000e-03 3.0887e-23 6.0000e-04 - 1 advect 39 39 91 91 6.99499 9.60929 0.0000e+00 1.2000e-03 2.9379e-21 6.0000e-04 - 1 advect 40 40 91 91 6.99499 9.7963 0.0000e+00 1.2000e-03 2.8916e-19 6.0000e-04 + 1 advect 37 37 91 91 6.99499 10.5318 0.0000e+00 1.2000e-03 2.9456e-25 6.0000e-04 + 1 advect 38 38 91 91 6.99499 1.12863 0.0000e+00 1.2000e-03 3.1101e-23 6.0000e-04 + 1 advect 39 39 91 91 6.99499 10.4305 0.0000e+00 1.2000e-03 2.9443e-21 6.0000e-04 + 1 advect 40 40 91 91 6.99499 1.00971 0.0000e+00 1.2000e-03 2.8915e-19 6.0000e-04 1 advect 1 1 92 92 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 92 92 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 92 92 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3679,9 +3679,9 @@ 1 advect 35 35 92 92 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 36 36 92 92 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 37 37 92 92 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 38 38 92 92 6.99499 10.3106 0.0000e+00 1.2000e-03 3.1785e-24 6.0000e-04 - 1 advect 39 39 92 92 6.99499 9.79154 0.0000e+00 1.2000e-03 2.7001e-22 6.0000e-04 - 1 advect 40 40 92 92 6.99499 10.4787 0.0000e+00 1.2000e-03 2.6480e-20 6.0000e-04 + 1 advect 38 38 92 92 6.99499 10.0442 0.0000e+00 1.2000e-03 2.8737e-24 6.0000e-04 + 1 advect 39 39 92 92 6.99499 0.862506 0.0000e+00 1.2000e-03 2.7073e-22 6.0000e-04 + 1 advect 40 40 92 92 6.99499 9.84931 0.0000e+00 1.2000e-03 2.6486e-20 6.0000e-04 1 advect 1 1 93 93 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 93 93 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 93 93 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3719,9 +3719,9 @@ 1 advect 35 35 93 93 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 36 36 93 93 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 37 37 93 93 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 38 38 93 93 6.99499 10.1725 0.0000e+00 1.2000e-03 2.6138e-25 6.0000e-04 - 1 advect 39 39 93 93 6.99499 9.83362 0.0000e+00 1.2000e-03 2.5901e-23 6.0000e-04 - 1 advect 40 40 93 93 6.99499 9.80369 0.0000e+00 1.2000e-03 2.4259e-21 6.0000e-04 + 1 advect 38 38 93 93 6.99499 9.79321 0.0000e+00 1.2000e-03 2.3632e-25 6.0000e-04 + 1 advect 39 39 93 93 6.99499 9.76952 0.0000e+00 1.2000e-03 2.5476e-23 6.0000e-04 + 1 advect 40 40 93 93 6.99499 1.18118 0.0000e+00 1.2000e-03 2.4270e-21 6.0000e-04 1 advect 1 1 94 94 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 94 94 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 94 94 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3760,8 +3760,8 @@ 1 advect 36 36 94 94 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 37 37 94 94 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 38 38 94 94 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 39 39 94 94 6.99499 9.79919 0.0000e+00 1.2000e-03 2.4168e-24 6.0000e-04 - 1 advect 40 40 94 94 6.99499 9.78935 0.0000e+00 1.2000e-03 2.2332e-22 6.0000e-04 + 1 advect 39 39 94 94 6.99499 9.80353 0.0000e+00 1.2000e-03 2.7638e-24 6.0000e-04 + 1 advect 40 40 94 94 6.99499 9.75709 0.0000e+00 1.2000e-03 2.2301e-22 6.0000e-04 1 advect 1 1 95 95 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 95 95 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 95 95 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3800,8 +3800,8 @@ 1 advect 36 36 95 95 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 37 37 95 95 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 38 38 95 95 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 39 39 95 95 6.99499 1.21448 0.0000e+00 1.2000e-03 1.9874e-25 6.0000e-04 - 1 advect 40 40 95 95 6.99499 9.80661 0.0000e+00 1.2000e-03 2.1086e-23 6.0000e-04 + 1 advect 39 39 95 95 6.99499 2.3438 0.0000e+00 1.2000e-03 2.2727e-25 6.0000e-04 + 1 advect 40 40 95 95 6.99499 9.86594 0.0000e+00 1.2000e-03 2.1620e-23 6.0000e-04 1 advect 1 1 96 96 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 96 96 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 96 96 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3841,7 +3841,7 @@ 1 advect 37 37 96 96 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 38 38 96 96 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 39 39 96 96 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 40 40 96 96 6.99499 9.74205 0.0000e+00 1.2000e-03 2.2447e-24 6.0000e-04 + 1 advect 40 40 96 96 6.99499 1.33142 0.0000e+00 1.2000e-03 2.0467e-24 6.0000e-04 1 advect 1 1 97 97 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 97 97 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 97 97 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 @@ -3881,7 +3881,7 @@ 1 advect 37 37 97 97 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 38 38 97 97 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 39 39 97 97 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 - 1 advect 40 40 97 97 6.99499 9.75397 0.0000e+00 1.2000e-03 1.8459e-25 6.0000e-04 + 1 advect 40 40 97 97 6.99499 0.260762 0.0000e+00 1.2000e-03 1.6831e-25 6.0000e-04 1 advect 1 1 98 98 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 2 2 98 98 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 1 advect 3 3 98 98 6.99499 8 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 diff --git a/mytest/ex9_101.sel b/mytest/ex9_101.sel index 9a376b3e7..cc464d38c 100644 --- a/mytest/ex9_101.sel +++ b/mytest/ex9_101.sel @@ -1,4804 +1,4804 @@ Mu SC - 0.001800104024 155.2561065682 - 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0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 + 0.001800104024 155.2561064049 diff --git a/mytest/ex_ild.out b/mytest/ex_ild.out index cdd7ac241..3b11102a2 100644 --- a/mytest/ex_ild.out +++ b/mytest/ex_ild.out @@ -161,7 +161,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -253,7 +252,6 @@ K 3.087e-04 K+ 3.087e-04 3.087e-04 -3.510 -3.510 -0.000 (0) Na 6.913e-04 Na+ 6.913e-04 6.913e-04 -3.160 -3.160 -0.000 (0) - NaOH 6.995e-21 6.997e-21 -20.155 -20.155 0.000 (0) O(0) 1.819e-15 O2 9.093e-16 9.095e-16 -15.041 -15.041 0.000 30.40 @@ -428,7 +426,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -589,7 +586,6 @@ K 7.632e-05 K+ 7.632e-05 7.632e-05 -4.117 -4.117 -0.000 (0) Na 9.237e-04 Na+ 9.237e-04 9.237e-04 -3.034 -3.034 -0.000 (0) - NaOH 9.339e-21 9.341e-21 -20.030 -20.030 0.000 (0) O(0) 3.922e-11 O2 1.961e-11 1.962e-11 -10.707 -10.707 0.000 30.40 @@ -664,7 +660,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -833,7 +828,6 @@ K 1.000e-03 K+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) Na 1.000e-12 Na+ 1.000e-12 1.000e-12 -12.000 -12.000 -0.000 (0) - NaOH 1.012e-29 1.012e-29 -28.995 -28.995 0.000 (0) O(0) 1.146e-12 O2 5.732e-13 5.733e-13 -12.242 -12.242 0.000 30.40 @@ -918,7 +912,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1015,7 +1008,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1108,7 +1100,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1203,7 +1194,6 @@ K 1.000e-03 K+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) Na 1.000e-12 Na+ 1.000e-12 1.000e-12 -12.000 -12.000 -0.000 (0) - NaOH 1.011e-29 1.011e-29 -28.995 -28.995 0.000 (0) O(0) 1.000e-10 O2 5.000e-11 5.001e-11 -10.301 -10.301 0.000 30.40 @@ -1279,7 +1269,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1372,7 +1361,6 @@ K 1.000e-03 K+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) Na 1.000e-12 Na+ 1.000e-12 1.000e-12 -12.000 -12.000 -0.000 (0) - NaOH 1.011e-29 1.012e-29 -28.995 -28.995 0.000 (0) O(0) 6.765e-11 O2 3.383e-11 3.383e-11 -10.471 -10.471 0.000 30.40 @@ -1452,7 +1440,6 @@ K 7.632e-05 K+ 7.632e-05 7.632e-05 -4.117 -4.117 -0.000 (0) Na 9.237e-04 Na+ 9.237e-04 9.237e-04 -3.034 -3.034 -0.000 (0) - NaOH 9.342e-21 9.344e-21 -20.030 -20.029 0.000 (0) O(0) 3.234e-11 O2 1.617e-11 1.617e-11 -10.791 -10.791 0.000 30.40 diff --git a/mytest/ex_ild_101.sel b/mytest/ex_ild_101.sel index 7d044f234..353512171 100644 --- a/mytest/ex_ild_101.sel +++ b/mytest/ex_ild_101.sel @@ -1,20 +1,20 @@ Mu SC - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 - 0.001000103457 0.0560840915 - 0.001000103457 0.0560840915 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 + 0.001000103457 0.0560840916 + 0.001000103457 0.0560840916 0.001000103356 0.0560987922 - 0.001000103457 0.0560840915 + 0.001000103457 0.0560840916 0.001000103356 0.0560987922 0.001000103438 0.0560961521 - 0.000500103168 0.0556804719 - 0.001000103455 0.0560840915 - 0.001000104181 0.0560840920 - 0.001000103455 0.0560840915 - 0.001000103457 0.0560840915 - 0.001000103457 0.0560840915 - 0.001000103457 0.0560840915 - 0.000500103167 0.0556804719 - 0.000500103167 0.0556804719 - 0.000500103167 0.0556804719 - 0.000500103167 0.0556804719 + 0.000500103168 0.0556804720 + 0.001000103455 0.0560840916 + 0.001000104181 0.0560840921 + 0.001000103455 0.0560840916 + 0.001000103457 0.0560840916 + 0.001000103457 0.0560840916 + 0.001000103457 0.0560840916 + 0.000500103167 0.0556804720 + 0.000500103167 0.0556804720 + 0.000500103167 0.0556804720 + 0.000500103167 0.0556804720 diff --git a/mytest/exch_kin_related.out b/mytest/exch_kin_related.out index 239402870..8b2d6b834 100644 --- a/mytest/exch_kin_related.out +++ b/mytest/exch_kin_related.out @@ -277,10 +277,10 @@ X 1.000e-01 mol [0.1 (mol MnX2)/(mol kinetic reactant Pyrolusite) pH = 12.031 Charge balance pe = 9.784 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 31456 + Specific Conductance (µS/cm, 20°C) = 31447 Density (g/cm³) = 1.06651 Volume (L) = 1.00864 - Viscosity (mPa s) = 1.11337 + Viscosity (mPa s) = 1.11454 Activity of water = 0.971 Ionic strength (mol/kgw) = 7.719e-01 Mass of water (kg) = 9.999e-01 @@ -370,7 +370,6 @@ Mn(3) 1.002e-17 Na 4.347e-01 Na+ 3.981e-01 2.877e-01 -0.400 -0.541 -0.141 -0.68 NaF 3.659e-02 4.371e-02 -1.437 -1.359 0.077 7.06 - NaOH 1.720e-13 2.055e-13 -12.764 -12.687 0.077 (0) O(0) 4.923e-01 O2 2.462e-01 2.940e-01 -0.609 -0.532 0.077 29.98 diff --git a/mytest/exch_kin_related_101.sel b/mytest/exch_kin_related_101.sel index ceb637358..00cee74ee 100644 --- a/mytest/exch_kin_related_101.sel +++ b/mytest/exch_kin_related_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.045864721837 2950.4341790071 - 0.013500099900 981.5745637220 - 0.771935068916 31456.0547114333 + 0.045864721837 2950.4341788592 + 0.013500099900 981.5745624908 + 0.771935068916 31447.6467189010 diff --git a/mytest/exch_kin_related_pz_101.sel b/mytest/exch_kin_related_pz_101.sel index de26be95f..cc543cbb9 100644 --- a/mytest/exch_kin_related_pz_101.sel +++ b/mytest/exch_kin_related_pz_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.013500112479 981.5758230704 - 0.511956509675 42436.9369888780 + 0.013500112479 981.5758222115 + 0.511956509675 42436.9368277066 diff --git a/mytest/exch_related_101.sel b/mytest/exch_related_101.sel index 901b7dbc8..d972ea372 100644 --- a/mytest/exch_related_101.sel +++ b/mytest/exch_related_101.sel @@ -1,10 +1,10 @@ Mu SC 0.000000100661 0.0546997340 - 0.000003925598 0.2785379890 - 0.000003925598 0.2785379890 + 0.000003925598 0.2785379853 + 0.000003925598 0.2785379853 0.317290699784 59173.9282185974 0.317290699784 59173.9282185974 0.000000100661 0.0546997340 - 0.000000100645 0.0546913855 + 0.000000100645 0.0546913856 0.000000100661 0.0546997187 - 0.000011413704 0.7794630868 + 0.000011413704 0.7794630342 diff --git a/mytest/exch_related_pz.out b/mytest/exch_related_pz.out index 86cb482af..4b79a05a3 100644 --- a/mytest/exch_related_pz.out +++ b/mytest/exch_related_pz.out @@ -250,10 +250,10 @@ X 4.648e-12 mol [0.33 (mol Ca.5X)/(mol Calcite)] pH = 0.724 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 82887 + Specific Conductance (µS/cm, 25°C) = 82717 Density (g/cm³) = 1.00215 Volume (L) = 1.00795 - Viscosity (mPa s) = 0.90413 + Viscosity (mPa s) = 0.90485 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.600e-01 Mass of water (kg) = 1.000e+00 @@ -350,10 +350,10 @@ X 4.648e-12 mol [0.33 (mol Ca.5X)/(mol Calcite)] pH = 0.724 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 82887 + Specific Conductance (µS/cm, 25°C) = 82717 Density (g/cm³) = 1.00215 Volume (L) = 1.00795 - Viscosity (mPa s) = 0.90413 + Viscosity (mPa s) = 0.90485 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.600e-01 Mass of water (kg) = 1.000e+00 diff --git a/mytest/exch_related_pz_101.sel b/mytest/exch_related_pz_101.sel index 6c15eea4a..fa0f6ffe7 100644 --- a/mytest/exch_related_pz_101.sel +++ b/mytest/exch_related_pz_101.sel @@ -1,10 +1,10 @@ Mu SC - 0.000000100645 0.0546913894 - 0.000417047311 38.8489532871 - 0.000417047311 38.8489532895 - 0.259953204624 82887.2223714877 - 0.259953204625 82887.2223714872 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.000417047311 38.8489532871 + 0.000000100645 0.0546913895 + 0.000417047311 38.8489270000 + 0.000417047311 38.8489270024 + 0.259953204624 82717.0895906727 + 0.259953204625 82717.0895906721 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.000417047311 38.8489270000 diff --git a/mytest/fiona.out b/mytest/fiona.out index 857928b1f..248c0f42d 100644 --- a/mytest/fiona.out +++ b/mytest/fiona.out @@ -116,10 +116,10 @@ Initial solution 1. Reference Backfill water pH = 12.500 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -191,7 +191,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 4.281e-16 Np(OH)4 4.281e-16 4.837e-16 -15.368 -15.315 0.053 (0) Np+4 0.000e+00 0.000e+00 -53.318 -55.458 -2.140 (0) @@ -318,7 +317,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe 7.00 7.00 0.00 - O2 is reactant 1.000e+00 1.000e+00 2.513e-11 + O2 is reactant 1.000e+00 1.000e+00 2.512e-11 -----------------------------Solution composition------------------------------ @@ -340,10 +339,10 @@ Fix_pe 7.00 7.00 0.00 pH = 12.500 Charge balance pe = -7.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -415,7 +414,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 1.005e-10 Np(OH)4 1.005e-10 1.135e-10 -9.998 -9.945 0.053 (0) Np+4 0.000e+00 0.000e+00 -47.948 -50.088 -2.140 (0) @@ -555,10 +553,10 @@ Fix_pe 6.00 6.00 0.00 pH = 12.500 Charge balance pe = -6.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -630,7 +628,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 1.005e-10 Np(OH)4 1.005e-10 1.135e-10 -9.998 -9.945 0.053 (0) Np+4 0.000e+00 0.000e+00 -47.948 -50.088 -2.140 (0) @@ -748,7 +745,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe 5.00 5.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 2.512e-11 + O2 is reactant 1.000e+01 1.000e+01 2.511e-11 -----------------------------Solution composition------------------------------ @@ -770,10 +767,10 @@ Fix_pe 5.00 5.00 0.00 pH = 12.500 Charge balance pe = -5.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -845,7 +842,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 1.005e-10 Np(OH)4 1.005e-10 1.135e-10 -9.998 -9.945 0.053 (0) Np+4 0.000e+00 0.000e+00 -47.948 -50.088 -2.140 (0) @@ -963,7 +959,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe 4.00 4.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 2.507e-11 + O2 is reactant 1.000e+01 1.000e+01 2.506e-11 -----------------------------Solution composition------------------------------ @@ -985,10 +981,10 @@ Fix_pe 4.00 4.00 0.00 pH = 12.500 Charge balance pe = -4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -1060,7 +1056,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 1.002e-10 Np(OH)4 1.002e-10 1.133e-10 -9.999 -9.946 0.053 (0) Np+4 0.000e+00 0.000e+00 -47.949 -50.089 -2.140 (0) @@ -1178,7 +1173,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe 3.00 3.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 2.455e-11 + O2 is reactant 1.000e+01 1.000e+01 2.454e-11 -----------------------------Solution composition------------------------------ @@ -1200,10 +1195,10 @@ Fix_pe 3.00 3.00 0.00 pH = 12.500 Charge balance pe = -3.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -1275,7 +1270,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 9.818e-11 Np(OH)4 9.818e-11 1.109e-10 -10.008 -9.955 0.053 (0) Np+4 0.000e+00 0.000e+00 -47.958 -50.098 -2.140 (0) @@ -1393,7 +1387,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe 2.00 2.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 2.035e-11 + O2 is reactant 1.000e+01 1.000e+01 2.034e-11 -----------------------------Solution composition------------------------------ @@ -1415,10 +1409,10 @@ Fix_pe 2.00 2.00 0.00 pH = 12.500 Charge balance pe = -2.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -1490,7 +1484,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 8.138e-11 Np(OH)4 8.138e-11 9.196e-11 -10.089 -10.036 0.053 (0) Np+4 0.000e+00 0.000e+00 -48.039 -50.179 -2.140 (0) @@ -1608,7 +1601,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe 1.00 1.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 7.507e-12 + O2 is reactant 1.000e+01 1.000e+01 7.502e-12 -----------------------------Solution composition------------------------------ @@ -1630,10 +1623,10 @@ Fix_pe 1.00 1.00 0.00 pH = 12.500 Charge balance pe = -1.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -1705,7 +1698,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 3.002e-11 Np(OH)4 3.002e-11 3.392e-11 -10.523 -10.470 0.053 (0) Np+4 0.000e+00 0.000e+00 -48.472 -50.612 -2.140 (0) @@ -1823,7 +1815,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe 0.00 0.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 1.030e-12 + O2 is reactant 1.000e+01 1.000e+01 1.025e-12 -----------------------------Solution composition------------------------------ @@ -1845,10 +1837,10 @@ Fix_pe 0.00 0.00 0.00 pH = 12.500 Charge balance pe = -0.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -1920,7 +1912,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 4.106e-12 Np(OH)4 4.106e-12 4.640e-12 -11.387 -11.334 0.053 (0) Np+4 0.000e+00 0.000e+00 -49.336 -51.476 -2.140 (0) @@ -2038,7 +2029,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe -1.00 -1.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 1.119e-13 + O2 is reactant 1.000e+01 1.000e+01 1.066e-13 -----------------------------Solution composition------------------------------ @@ -2060,10 +2051,10 @@ Fix_pe -1.00 -1.00 0.00 pH = 12.500 Charge balance pe = 1.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -2135,7 +2126,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 4.263e-13 Np(OH)4 4.263e-13 4.817e-13 -12.370 -12.317 0.053 (0) Np+4 0.000e+00 0.000e+00 -50.320 -52.460 -2.140 (0) @@ -2253,7 +2243,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe -2.00 -2.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 1.599e-14 + O2 is reactant 1.000e+01 1.000e+01 8.882e-15 -----------------------------Solution composition------------------------------ @@ -2275,10 +2265,10 @@ Fix_pe -2.00 -2.00 0.00 pH = 12.500 Charge balance pe = 2.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -2350,7 +2340,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 4.279e-14 Np(OH)4 4.279e-14 4.835e-14 -13.369 -13.316 0.053 (0) Np+4 0.000e+00 0.000e+00 -51.318 -53.458 -2.140 (0) @@ -2468,7 +2457,7 @@ Using pure phase assemblage 1. Phase SI log IAP log K(T, P) Initial Final Delta Fix_pe -3.00 -3.00 0.00 - O2 is reactant 1.000e+01 1.000e+01 5.329e-15 + O2 is reactant 1.000e+01 1.000e+01 -1.776e-15 -----------------------------Solution composition------------------------------ @@ -2490,10 +2479,10 @@ Fix_pe -3.00 -3.00 0.00 pH = 12.500 Charge balance pe = 3.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48745 + Specific Conductance (µS/cm, 25°C) = 48693 Density (g/cm³) = 1.01831 Volume (L) = 1.01003 - Viscosity (mPa s) = 0.93956 + Viscosity (mPa s) = 0.94115 Activity of water = 0.984 Ionic strength (mol/kgw) = 5.307e-01 Mass of water (kg) = 1.000e+00 @@ -2565,7 +2554,6 @@ Na 3.718e-01 Na+ 3.661e-01 2.625e-01 -0.436 -0.581 -0.144 -0.61 NaSO4- 5.717e-03 3.951e-03 -2.243 -2.403 -0.160 6.24 NaHCO3 5.822e-08 7.434e-08 -7.235 -7.129 0.106 31.73 - NaOH 7.319e-13 8.271e-13 -12.136 -12.082 0.053 (0) Np(4) 4.281e-15 Np(OH)4 4.281e-15 4.837e-15 -14.368 -14.315 0.053 (0) Np+4 0.000e+00 0.000e+00 -52.318 -54.458 -2.140 (0) diff --git a/mytest/fiona_101.sel b/mytest/fiona_101.sel index 44f9b8e95..700ef3a17 100644 --- a/mytest/fiona_101.sel +++ b/mytest/fiona_101.sel @@ -1,13 +1,13 @@ Mu SC - 0.530657355109 48745.4298994549 - 0.530657355091 48745.4299077644 - 0.530657355091 48745.4299077642 - 0.530657355091 48745.4299077626 - 0.530657355091 48745.4299077449 - 0.530657355092 48745.4299075739 - 0.530657355095 48745.4299061850 - 0.530657355103 48745.4299019380 - 0.530657355108 48745.4298997953 - 0.530657355108 48745.4298994910 - 0.530657355108 48745.4298994593 - 0.530657355108 48745.4298994561 + 0.530657355109 48693.7743740276 + 0.530657355092 48693.7743822958 + 0.530657355092 48693.7743822956 + 0.530657355092 48693.7743822939 + 0.530657355092 48693.7743822764 + 0.530657355092 48693.7743821062 + 0.530657355095 48693.7743807241 + 0.530657355104 48693.7743764983 + 0.530657355108 48693.7743743662 + 0.530657355109 48693.7743740634 + 0.530657355109 48693.7743740319 + 0.530657355109 48693.7743740288 diff --git a/mytest/fix_P.out b/mytest/fix_P.out index dbdb44dad..12e01fd58 100644 --- a/mytest/fix_P.out +++ b/mytest/fix_P.out @@ -60,10 +60,10 @@ Initial solution 1. pH = 6.891 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 874 + Specific Conductance (µS/cm, 25°C) = 873 Density (g/cm³) = 1.03905 Volume (L) = 0.96314 - Viscosity (mPa s) = 0.89617 + Viscosity (mPa s) = 0.89762 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.315e-02 Mass of water (kg) = 1.000e+00 @@ -146,10 +146,10 @@ Calcite -0.00 -7.67 -7.67 1.000e+01 9.998e+00 -2.287e-03 pH = 6.567 Charge balance pe = 11.467 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1304 + Specific Conductance (µS/cm, 25°C) = 1301 Density (g/cm³) = 1.03935 Volume (L) = 0.96326 - Viscosity (mPa s) = 0.89752 + Viscosity (mPa s) = 0.90174 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.000e-02 Mass of water (kg) = 1.000e+00 @@ -261,10 +261,10 @@ Calcite -0.00 -7.70 -7.70 1.000e+01 9.927e+00 -7.288e-02 pH = 4.758 Charge balance pe = 13.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 11377 + Specific Conductance (µS/cm, 25°C) = 9647 Density (g/cm³) = 1.06284 Volume (L) = 1.02742 - Viscosity (mPa s) = 0.93177 + Viscosity (mPa s) = 1.31232 Activity of water = 0.966 Ionic strength (mol/kgw) = 2.318e-01 Mass of water (kg) = 9.987e-01 diff --git a/mytest/fix_P_101.sel b/mytest/fix_P_101.sel index 8a2239959..e5b89907b 100644 --- a/mytest/fix_P_101.sel +++ b/mytest/fix_P_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.013147754784 874.7301534778 - 0.020003396668 1304.9972349954 - 0.231753434828 11377.2863020019 + 0.013147754784 873.9008619328 + 0.020003396668 1301.4631667243 + 0.231753434828 9647.2844936882 diff --git a/mytest/fix_V.out b/mytest/fix_V.out index 1b7f497c9..c8a632d61 100644 --- a/mytest/fix_V.out +++ b/mytest/fix_V.out @@ -59,10 +59,10 @@ Initial solution 1. pH = 5.998 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 1533 + Specific Conductance (µS/cm, 25°C) = 1513 Density (g/cm³) = 0.99848 Volume (L) = 1.00444 - Viscosity (mPa s) = 0.89870 + Viscosity (mPa s) = 0.91981 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.587e-02 Mass of water (kg) = 1.000e+00 @@ -155,10 +155,10 @@ Calcite -0.00 -8.47 -8.47 1.000e+01 9.991e+00 -8.824e-03 pH = 5.504 Charge balance pe = 0.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2874 + Specific Conductance (µS/cm, 25°C) = 2772 Density (g/cm³) = 1.00135 Volume (L) = 1.01013 - Viscosity (mPa s) = 0.90577 + Viscosity (mPa s) = 0.96737 Activity of water = 0.996 Ionic strength (mol/kgw) = 5.097e-02 Mass of water (kg) = 9.998e-01 @@ -293,10 +293,10 @@ Calcite 0.00 -8.47 -8.47 1.000e+01 1.000e+01 2.524e-04 pH = 5.514 Charge balance pe = -0.113 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2838 + Specific Conductance (µS/cm, 25°C) = 2739 Density (g/cm³) = 1.00124 Volume (L) = 1.00989 - Viscosity (mPa s) = 0.90558 + Viscosity (mPa s) = 0.96587 Activity of water = 0.996 Ionic strength (mol/kgw) = 5.026e-02 Mass of water (kg) = 9.998e-01 diff --git a/mytest/fix_V_101.sel b/mytest/fix_V_101.sel index b9f41e80c..6c14497f8 100644 --- a/mytest/fix_V_101.sel +++ b/mytest/fix_V_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.025872339112 1533.2608129443 - 0.050973776103 2874.8845140813 - 0.050973776026 2874.8845145517 - 0.050262463758 2838.5362855588 + 0.025872339112 1513.1094673593 + 0.050973776103 2772.4379387045 + 0.050973776026 2772.4379391428 + 0.050262463758 2739.3282380202 diff --git a/mytest/fixed_volume_gas.out b/mytest/fixed_volume_gas.out index c33ccb1e7..dd7d3538d 100644 --- a/mytest/fixed_volume_gas.out +++ b/mytest/fixed_volume_gas.out @@ -119,7 +119,7 @@ CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.999e+00 -1.098e-03 Specific Conductance (µS/cm, 25°C) = 8 Density (g/cm³) = 0.99705 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.199e-05 Mass of water (kg) = 1.000e+00 @@ -280,7 +280,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.999e+00 -7.890e-04 Specific Conductance (µS/cm, 25°C) = 332 Density (g/cm³) = 0.99723 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89246 + Viscosity (mPa s) = 0.89289 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.386e-03 Mass of water (kg) = 1.000e+00 @@ -407,7 +407,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.000e+01 -4.340e-04 Specific Conductance (µS/cm, 25°C) = 188 Density (g/cm³) = 0.99713 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89159 + Viscosity (mPa s) = 0.89167 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.987e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/fixed_volume_gas_101.sel b/mytest/fixed_volume_gas_101.sel index fa6e25922..3a8e4cbd6 100644 --- a/mytest/fixed_volume_gas_101.sel +++ b/mytest/fixed_volume_gas_101.sel @@ -1,6 +1,6 @@ Mu SC 0.000000100661 0.0546997340 - 0.000021994538 8.5984860142 - 0.000021994538 8.5984860142 - 0.005385737757 332.8440189837 - 0.002987454960 188.2308228541 + 0.000021994538 8.5963108678 + 0.000021994538 8.5963108678 + 0.005385737757 332.7521703128 + 0.002987454960 188.2206546437 diff --git a/mytest/fixed_volume_gas_pz.out b/mytest/fixed_volume_gas_pz.out index 77555c448..4ba853e98 100644 --- a/mytest/fixed_volume_gas_pz.out +++ b/mytest/fixed_volume_gas_pz.out @@ -117,7 +117,7 @@ CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.999e+00 -1.098e-03 Specific Conductance (µS/cm, 25°C) = 8 Density (g/cm³) = 0.99705 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89013 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.226e-05 Mass of water (kg) = 1.000e+00 @@ -263,10 +263,10 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 9.999e+00 -6.437e-04 pH = 7.460 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 340 + Specific Conductance (µS/cm, 25°C) = 339 Density (g/cm³) = 0.99723 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89232 + Viscosity (mPa s) = 0.89247 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.499e-03 Mass of water (kg) = 1.000e+00 @@ -383,7 +383,7 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.000e+01 -3.528e-04 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99713 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89150 + Viscosity (mPa s) = 0.89153 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.027e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/fixed_volume_gas_pz_101.sel b/mytest/fixed_volume_gas_pz_101.sel index 422643755..ef159adf9 100644 --- a/mytest/fixed_volume_gas_pz_101.sel +++ b/mytest/fixed_volume_gas_pz_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.000000100645 0.0546913894 - 0.000022261069 8.7021584911 - 0.000022261069 8.7021584870 - 0.005499474993 340.0152265629 - 0.003027272997 191.2176530779 + 0.000000100645 0.0546913895 + 0.000022261069 8.6997986125 + 0.000022261069 8.6997986084 + 0.005499474993 339.9437789598 + 0.003027272997 191.2101338994 diff --git a/mytest/fluorite_101.sel b/mytest/fluorite_101.sel index a0ec8f90e..d39596180 100644 --- a/mytest/fluorite_101.sel +++ b/mytest/fluorite_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000643842830 43.9369757358 - 0.001152211730 79.4877865070 + 0.000643842830 43.9369756835 + 0.001152211730 79.4877863864 diff --git a/mytest/gas.out b/mytest/gas.out index e5842495f..3e9778dda 100644 --- a/mytest/gas.out +++ b/mytest/gas.out @@ -193,7 +193,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.998e+00 -2.313e-03 Specific Conductance (µS/cm, 25°C) = 1276 Density (g/cm³) = 0.99778 Volume (L) = 1.00326 - Viscosity (mPa s) = 0.89540 + Viscosity (mPa s) = 0.89571 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.734e-02 Mass of water (kg) = 1.000e+00 @@ -329,7 +329,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.998e+00 -2.256e-03 Specific Conductance (µS/cm, 25°C) = 1233 Density (g/cm³) = 0.99777 Volume (L) = 1.00327 - Viscosity (mPa s) = 0.89562 + Viscosity (mPa s) = 0.89604 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.690e-02 Mass of water (kg) = 1.000e+00 @@ -465,7 +465,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.998e+00 -2.194e-03 Specific Conductance (µS/cm, 25°C) = 1188 Density (g/cm³) = 0.99776 Volume (L) = 1.00328 - Viscosity (mPa s) = 0.89579 + Viscosity (mPa s) = 0.89636 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.643e-02 Mass of water (kg) = 1.000e+00 @@ -601,7 +601,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.998e+00 -2.128e-03 Specific Conductance (µS/cm, 25°C) = 1142 Density (g/cm³) = 0.99774 Volume (L) = 1.00329 - Viscosity (mPa s) = 0.89591 + Viscosity (mPa s) = 0.89665 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.594e-02 Mass of water (kg) = 1.000e+00 @@ -737,7 +737,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.998e+00 -2.058e-03 Specific Conductance (µS/cm, 25°C) = 1094 Density (g/cm³) = 0.99773 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.89600 + Viscosity (mPa s) = 0.89692 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.542e-02 Mass of water (kg) = 1.000e+00 @@ -870,10 +870,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.998e+00 -1.615e-03 pH = 6.845 Charge balance pe = 12.243 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 800 + Specific Conductance (µS/cm, 25°C) = 798 Density (g/cm³) = 0.99762 Volume (L) = 1.00337 - Viscosity (mPa s) = 0.89557 + Viscosity (mPa s) = 0.89830 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.222e-02 Mass of water (kg) = 1.000e+00 @@ -1006,10 +1006,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.998e+00 -2.212e-03 pH = 6.485 Charge balance pe = -3.280 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1393 + Specific Conductance (µS/cm, 25°C) = 1386 Density (g/cm³) = 0.99801 Volume (L) = 1.00375 - Viscosity (mPa s) = 0.89757 + Viscosity (mPa s) = 0.90875 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.010e-02 Mass of water (kg) = 1.000e+00 @@ -1142,10 +1142,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.997e+00 -2.717e-03 pH = 6.383 Charge balance pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1455 + Specific Conductance (µS/cm, 25°C) = 1445 Density (g/cm³) = 0.99814 Volume (L) = 1.00388 - Viscosity (mPa s) = 0.89823 + Viscosity (mPa s) = 0.91199 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.214e-02 Mass of water (kg) = 1.000e+00 diff --git a/mytest/gas_101.sel b/mytest/gas_101.sel index d37b0504a..58d32e51b 100644 --- a/mytest/gas_101.sel +++ b/mytest/gas_101.sel @@ -1,10 +1,10 @@ Mu SC - 0.001552295412 243.3712712851 - 0.017343030952 1276.6612161575 - 0.016904222329 1233.6808984254 - 0.016432762112 1188.7936780874 - 0.015937135061 1142.4480681358 - 0.015423914472 1094.9920082172 - 0.012220663092 800.0698302858 - 0.020098818113 1393.9075170234 - 0.022142332015 1455.4363296631 + 0.001552295412 243.3712873643 + 0.017343030952 1276.4810642786 + 0.016904222329 1233.4354674051 + 0.016432762112 1188.4753521098 + 0.015937135061 1142.0499458498 + 0.015423914472 1094.5077875930 + 0.012220663092 798.9587640570 + 0.020098818113 1386.9246696716 + 0.022142332015 1445.6896842673 diff --git a/mytest/gas_fix_P.out b/mytest/gas_fix_P.out index 0c111395a..4a05d1b0a 100644 --- a/mytest/gas_fix_P.out +++ b/mytest/gas_fix_P.out @@ -148,10 +148,10 @@ N2(g) 1.32 2.095e+01 3.421 5.597e-01 5.444e-01 -1.531e-02 pH = 2.858 Charge balance pe = 5.762 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 529 + Specific Conductance (µS/cm, 25°C) = 401 Density (g/cm³) = 1.05234 Volume (L) = 1.02606 - Viscosity (mPa s) = 0.89217 + Viscosity (mPa s) = 1.02035 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.441e-03 Mass of water (kg) = 9.983e-01 @@ -255,10 +255,10 @@ N2(g) 1.29 1.941e+01 3.430 5.444e-01 5.455e-01 1.084e-03 pH = 2.858 Charge balance pe = 5.826 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 530 + Specific Conductance (µS/cm, 25°C) = 401 Density (g/cm³) = 1.05237 Volume (L) = 1.02598 - Viscosity (mPa s) = 0.89217 + Viscosity (mPa s) = 1.02056 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.442e-03 Mass of water (kg) = 9.981e-01 diff --git a/mytest/gas_fix_P_101.sel b/mytest/gas_fix_P_101.sel index f9eee7387..a016a2577 100644 --- a/mytest/gas_fix_P_101.sel +++ b/mytest/gas_fix_P_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000000100644 0.0547821292 - 0.001440589241 529.9521475666 - 0.001441735174 530.2949620445 + 0.001440589241 401.2157992844 + 0.001441735174 401.3068432712 diff --git a/mytest/gas_fix_V.out b/mytest/gas_fix_V.out index 9d938d251..5b3e3c87d 100644 --- a/mytest/gas_fix_V.out +++ b/mytest/gas_fix_V.out @@ -167,10 +167,10 @@ N2(g) 2.28 1.926e+02 1.272 7.476e+00 7.063e+00 -4.133e-01 pH = 6.039 Charge balance pe = -2.929 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 67309 + Specific Conductance (µS/cm, 25°C) = 66147 Density (g/cm³) = 1.04384 Volume (L) = 1.01471 - Viscosity (mPa s) = 1.03745 + Viscosity (mPa s) = 1.55222 Activity of water = 0.964 Ionic strength (mol/kgw) = 6.962e-01 Mass of water (kg) = 9.784e-01 @@ -239,7 +239,6 @@ WARNING: Trying smaller step size, pe step size 10, 5 ... WARNING: Maximum iterations exceeded, 200 -WARNING: viscosity < 0, reset to viscosity of pure water WARNING: Numerical method failed with this set of convergence parameters. WARNING: Trying reduced tolerance 1e-16 ... @@ -295,10 +294,10 @@ N2(g) 2.35 2.238e+02 1.572 7.063e+00 6.962e+00 -1.014e-01 pH = 5.933 Charge balance pe = -2.819 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 86265 + Specific Conductance (µS/cm, 25°C) = 84372 Density (g/cm³) = 1.05839 Volume (L) = 1.01684 - Viscosity (mPa s) = 1.04642 + Viscosity (mPa s) = 1.74261 Activity of water = 0.954 Ionic strength (mol/kgw) = 9.000e-01 Mass of water (kg) = 9.722e-01 @@ -410,10 +409,10 @@ N2(g) 2.40 2.527e+02 1.836 6.962e+00 6.890e+00 -7.131e-02 pH = 5.894 Charge balance pe = -2.786 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 99815 + Specific Conductance (µS/cm, 25°C) = 97380 Density (g/cm³) = 1.06822 Volume (L) = 1.01604 - Viscosity (mPa s) = 1.04375 + Viscosity (mPa s) = 1.83707 Activity of water = 0.948 Ionic strength (mol/kgw) = 1.045e+00 Mass of water (kg) = 9.678e-01 diff --git a/mytest/gas_fix_V_101.sel b/mytest/gas_fix_V_101.sel index 217c4a3f6..6852d1252 100644 --- a/mytest/gas_fix_V_101.sel +++ b/mytest/gas_fix_V_101.sel @@ -1,5 +1,5 @@ Mu SC 0.000000100661 0.0546997340 - 0.696199871768 67309.1309414081 - 0.899951253632 86265.4469692244 - 1.045072333496 99815.4085757332 + 0.696199871768 66147.0830178085 + 0.899951253632 84372.7546689013 + 1.045072333496 97380.7730953557 diff --git a/mytest/gas_mod.out b/mytest/gas_mod.out index 18b99b42f..61423cf10 100644 --- a/mytest/gas_mod.out +++ b/mytest/gas_mod.out @@ -58,10 +58,10 @@ Initial solution 1. pH = 3.424 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00053 Volume (L) = 1.01364 - Viscosity (mPa s) = 0.89008 + Viscosity (mPa s) = 0.91271 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.853e-04 Mass of water (kg) = 1.000e+00 @@ -170,10 +170,10 @@ CO2(g) 1.00 1.000e+01 0.945 0.000e+00 4.335e-07 4.335e-07 pH = 3.424 Charge balance pe = 2.203 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00053 Volume (L) = 1.01364 - Viscosity (mPa s) = 0.89008 + Viscosity (mPa s) = 0.91271 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.853e-04 Mass of water (kg) = 1.000e+00 @@ -304,10 +304,10 @@ CO2(g) 1.00 1.000e+01 0.945 4.335e-01 4.335e-01 2.617e-07 pH = 3.424 Charge balance pe = 2.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 146 + Specific Conductance (µS/cm, 25°C) = 139 Density (g/cm³) = 1.00053 Volume (L) = 1.01364 - Viscosity (mPa s) = 0.89008 + Viscosity (mPa s) = 0.91271 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.853e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/gas_mod_101.sel b/mytest/gas_mod_101.sel index 5f6108f76..a305e0d9f 100644 --- a/mytest/gas_mod_101.sel +++ b/mytest/gas_mod_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000385256076 146.7344634267 - 0.000385255815 146.7343683994 + 0.000385256076 139.1847987710 + 0.000385255815 139.1847182271 diff --git a/mytest/gas_phase_mix.out b/mytest/gas_phase_mix.out index dee0b6ce2..8e93c35de 100644 --- a/mytest/gas_phase_mix.out +++ b/mytest/gas_phase_mix.out @@ -176,7 +176,7 @@ N2(g) -0.01 9.859e-01 1.000 5.724e-02 5.724e-02 -6.575e-10 Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99705 Volume (L) = 0.00000 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89009 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.464e-05 Mass of water (kg) = 1.000e-06 diff --git a/mytest/gas_phase_mix_101.sel b/mytest/gas_phase_mix_101.sel index 0afb9c691..1cbf31001 100644 --- a/mytest/gas_phase_mix_101.sel +++ b/mytest/gas_phase_mix_101.sel @@ -1,3 +1,3 @@ Mu SC 0.000000100661 0.0546997340 - 0.000014638481 5.7245739751 + 0.000014638481 5.7238357370 diff --git a/mytest/gas_phase_pressure_101.sel b/mytest/gas_phase_pressure_101.sel index 886cdd090..ace03b6e5 100644 --- a/mytest/gas_phase_pressure_101.sel +++ b/mytest/gas_phase_pressure_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.000000149062 0.0791641698 - 0.000000151846 0.0770437841 - 0.000000157806 0.0816072409 + 0.000000149062 0.0791641701 + 0.000000151846 0.0770437843 + 0.000000157806 0.0816072411 diff --git a/mytest/gas_type_switch_101.sel b/mytest/gas_type_switch_101.sel index 36e170182..e39a3ddd8 100644 --- a/mytest/gas_type_switch_101.sel +++ b/mytest/gas_type_switch_101.sel @@ -1,5 +1,5 @@ Mu SC 0.000000100661 0.0546997340 - 0.000000100641 0.0546685726 + 0.000000100641 0.0546685727 0.000000100815 0.0547856520 0.000000100689 0.0547114759 diff --git a/mytest/get_put_.out b/mytest/get_put_.out index 49dee13f5..cc86344b3 100644 --- a/mytest/get_put_.out +++ b/mytest/get_put_.out @@ -147,7 +147,6 @@ H(0) 7.771e-26 Na 1.000e+00 Na+ 6.525e-01 5.861e-01 -0.185 -0.232 -0.047 0.35 NaSO4- 3.475e-01 2.141e-01 -0.459 -0.669 -0.210 22.04 - NaOH 3.077e-18 5.607e-18 -17.512 -17.251 0.261 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.390 -42.129 0.261 30.40 S(6) 1.000e+00 diff --git a/mytest/get_put__101.sel b/mytest/get_put__101.sel index 5f34c5fc9..844cb0edc 100644 --- a/mytest/get_put__101.sel +++ b/mytest/get_put__101.sel @@ -1,2 +1,2 @@ Mu SC - 2.605456805519 125097.8199951557 + 2.605456805519 125097.8190472905 diff --git a/mytest/gfw.out b/mytest/gfw.out index a66d5e4f9..652bb6758 100644 --- a/mytest/gfw.out +++ b/mytest/gfw.out @@ -72,10 +72,10 @@ Solution volume 5.1124e-01 pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 88567 + Specific Conductance (µS/cm, 25°C) = 88566 Density (g/cm³) = 1.05070 Volume (L) = 0.51124 - Viscosity (mPa s) = 0.99108 + Viscosity (mPa s) = 0.99111 Activity of water = 0.964 Ionic strength (mol/kgw) = 1.197e+00 Mass of water (kg) = 5.000e-01 @@ -149,7 +149,6 @@ Na 1.000e+00 Na+ 9.331e-01 6.948e-01 -0.030 -0.158 -0.128 -0.20 NaSO4- 6.630e-02 4.306e-02 -1.179 -1.366 -0.187 13.59 NaHCO3 5.911e-04 1.026e-03 -3.228 -2.989 0.239 31.73 - NaOH 5.146e-18 6.779e-18 -17.289 -17.169 0.120 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.232 -42.112 0.120 30.40 S(-2) 1.000e-03 diff --git a/mytest/gfw_101.sel b/mytest/gfw_101.sel index 5f8b9080e..5d6e4feea 100644 --- a/mytest/gfw_101.sel +++ b/mytest/gfw_101.sel @@ -1,2 +1,2 @@ Mu SC - 1.196797900057 88567.8330753650 + 1.196797900057 88566.0889081588 diff --git a/mytest/gyps_Na2SO4_101.sel b/mytest/gyps_Na2SO4_101.sel index 400e9db96..cd5ea27fc 100644 --- a/mytest/gyps_Na2SO4_101.sel +++ b/mytest/gyps_Na2SO4_101.sel @@ -1,260 +1,260 @@ Mu SC 0.000000100644 0.0547821166 - 0.060214568777 2826.4184764158 - 0.060362838263 2840.6119374325 - 0.105904724713 5798.1253021948 - 0.398989474936 19092.8258019951 - 0.695964692612 30287.1941080447 - 0.991174685746 40434.6300948473 - 1.284288267767 49809.8009668612 - 1.575248628617 58500.6958551889 - 1.864051224790 66541.1657494406 - 2.150706902170 73948.8810498137 - 2.435232505802 80737.8639583001 - 2.717647761242 86922.6895889833 - 2.997973999597 92519.6869015943 - 3.276233534038 97547.0438868011 - 3.552449304307 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4.424461451029 353539.8606226147 + 4.424461451970 353539.8607042765 + 4.424461452911 353539.8607859380 + 4.893672665519 372729.0605602024 + 5.481498775682 392755.8154947670 + 6.071580296635 408740.9659453634 + 6.663272889969 421011.8748596497 + 7.256155717805 429899.7766442039 + 7.849943396373 435727.0440490670 + 8.444437049295 438800.9960975822 + 8.908822739275 439474.2946786900 + 8.908822739352 439474.2946789985 + 8.908822739372 439474.2946798119 + 8.908822739393 439474.2946806253 + 8.908822739413 439474.2946814386 + 8.890820652257 439609.4960305172 diff --git a/mytest/gyps_NaCl.out b/mytest/gyps_NaCl.out index 5a097776c..c34dcf26e 100644 --- a/mytest/gyps_NaCl.out +++ b/mytest/gyps_NaCl.out @@ -5904,7 +5904,7 @@ Halite -0.92 0.66 1.58 0.000e+00 0 0.000e+00 pH = 6.746 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 188833 + Specific Conductance (µS/cm, 25°C) = 188832 Density (g/cm³) = 1.11195 Volume (L) = 1.06595 Viscosity (mPa s) = 1.23439 @@ -10925,7 +10925,7 @@ Halite -0.10 1.52 1.62 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 70°C) = 471351 Density (g/cm³) = 1.17424 Volume (L) = 1.15799 - Viscosity (mPa s) = 0.81354 + Viscosity (mPa s) = 0.81355 Activity of water = 0.762 Ionic strength (mol/kgw) = 6.200e+00 Mass of water (kg) = 1.002e+00 diff --git a/mytest/gyps_NaCl_101.sel b/mytest/gyps_NaCl_101.sel index 96ba8ebaa..1cf782efd 100644 --- a/mytest/gyps_NaCl_101.sel +++ b/mytest/gyps_NaCl_101.sel @@ -1,140 +1,140 @@ Mu SC 0.000000034798 0.0119045068 - 0.051623981236 1270.5870127992 - 0.078562638743 2581.5371608036 - 0.104194546606 3772.1834550793 - 0.129104860950 4915.7617400088 - 0.153536847903 6028.3849567856 - 0.177619299980 7117.5904792352 - 0.294797665212 12326.8543096041 - 0.520930611938 22025.1979336139 - 0.741457859021 31087.0822537126 - 0.958487084345 39641.3131814449 - 1.172875555058 47738.7059710773 - 1.699888326612 66130.1062890630 - 2.216753954767 82030.2869225490 - 2.725619910614 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6.173897247377 140043.3766844221 + 6.279776189430 140398.0344858603 + 6.279776189430 140398.0344858603 + 0.057597900756 2145.5437427209 + 0.084801173174 4138.6086175187 + 0.110654510797 5927.5244974202 + 0.135746231543 7636.7696698123 + 0.160328009941 9294.3843746832 + 0.184534936987 10913.2739246010 + 0.302078381149 18619.1456837742 + 0.528234178747 32854.2132592812 + 0.748303162964 46054.7282497501 + 0.964615033873 58439.9515481391 + 1.178139084738 70103.2049072981 + 1.702764537919 96406.0421593848 + 2.217391190932 118979.9116200088 + 2.724499095510 138160.1527451002 + 3.225869610604 154251.2984100802 + 3.722912310551 167550.2522871449 + 4.216770693541 178347.0103110919 + 4.708372527489 186920.6786621496 + 5.198463609688 193535.3108901385 + 5.687635180817 198436.7727749485 + 6.176348237112 201850.8300156731 + 6.259120729921 202296.8485272363 + 6.259120729921 202296.8485272363 + 0.060214568777 2826.4184555834 + 0.087550295252 5338.7625159883 + 0.113505460269 7577.7092878636 + 0.138676215173 9709.9403694741 + 0.163320088399 11773.5459320346 + 0.187575959593 13785.9589404314 + 0.305235067776 23337.6194433624 + 0.531284002399 40905.5245951818 + 0.751032836338 57132.6683913746 + 0.966922596303 72311.7216119582 + 1.179977016174 86570.4976987465 + 1.703413782715 118621.5303011295 + 2.217034900089 146042.1620640251 + 2.723449643668 169308.5486508175 + 3.224483874274 188832.9991636001 + 3.721542049569 205000.2371596941 + 4.215733591635 218173.9266439450 + 4.707936892242 228696.0525824667 + 5.198842317214 236884.9868958372 + 5.688985906650 243033.9270473499 + 6.178777303504 247410.1399160424 + 6.289562109559 248179.6037871297 + 6.289562109559 248179.6037871297 + 0.061794674327 3882.4359757402 + 0.089281870598 7232.5747627175 + 0.115338014942 10190.0381178038 + 0.140580378399 12994.2029753911 + 0.165276057438 15700.6086790339 + 0.189569176524 18334.5876852164 + 0.307280296588 30789.1323572169 + 0.533109387966 53571.1357155970 + 0.752459530391 74517.9200197142 + 0.967884359710 94046.3351952618 + 1.180459834520 112342.0961834182 + 1.702810762765 153330.5497178817 + 2.215670271802 188296.6798830429 + 2.721734050495 217945.3026317063 + 3.222838672806 242860.5310900302 + 3.720358422885 263564.6489554903 + 4.215351182256 280534.8266924424 + 4.708634776656 294208.4607204215 + 5.200837916058 304985.2183702039 + 5.692438831469 313228.3088246780 + 6.183796038563 319265.8107449072 + 6.377333994564 321104.0738729831 + 6.377333994564 321104.0738729832 + 0.057713699742 5708.4822647633 + 0.085426509760 10869.3148888023 + 0.111580849473 15355.7167043416 + 0.136872407525 19580.4432824040 + 0.161591701427 23639.9107426975 + 0.185892756122 27578.1402126632 + 0.303531038453 46090.7054721153 + 0.529039193375 79689.1659811757 + 0.748056218238 110398.9542708354 + 0.963213123812 138916.9539107760 + 1.175612620085 165557.1259831550 + 1.697977280306 225046.9554262355 + 2.211497247962 275702.4292842767 + 2.718811354719 318717.1556478256 + 3.221675492753 355035.9736881096 + 3.721377653064 385464.1669427616 + 4.218892723204 410707.3988397604 + 4.714963926349 431390.9810756932 + 5.210156578305 448071.4099557067 + 5.704897965998 461244.4840647820 + 6.199508483186 471351.6935205981 + 6.634569669408 478019.1337812939 + 6.634569663290 478019.1338546129 + 0.049446451303 6547.8896022470 + 0.077338081794 13253.9763113516 + 0.103526982476 19025.6710021779 + 0.128816241016 24439.3834501889 + 0.153521042672 29628.3408613009 + 0.177803702559 34653.4882722415 + 0.295363351701 58204.0996341900 + 0.520881875800 100794.2834939660 + 0.740111220824 139633.0523576953 + 0.955643729546 175649.5140950476 + 1.168553685133 209262.0985159037 + 1.692647895899 284260.1492249710 + 2.208358831933 348141.4391539954 + 2.718164617075 402511.0190225134 + 3.223716893485 448617.3908573621 + 3.726236700481 487501.0543031693 + 4.226658030280 520053.8738967078 + 4.725702363229 547050.8176909573 + 5.223928058338 569170.3594679615 + 5.721767424752 587009.1245936505 + 6.219556049678 601093.1343018357 + 6.717556486573 611886.8247444849 + 6.891700870069 614960.6093906572 diff --git a/mytest/gypsum.out b/mytest/gypsum.out index 0bb117261..1b54b4b6e 100644 --- a/mytest/gypsum.out +++ b/mytest/gypsum.out @@ -145,7 +145,7 @@ Gypsum 0.00 -4.63 -4.63 2.000e-01 1.871e-01 -1.291e-02 Specific Conductance (µS/cm, 0°C) = 1389 Density (g/cm³) = 1.00174 Volume (L) = 1.00048 - Viscosity (mPa s) = 1.77207 + Viscosity (mPa s) = 1.77228 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.162e-02 Mass of water (kg) = 1.000e+00 @@ -214,7 +214,7 @@ Gypsum 0.00 -4.61 -4.61 2.000e-01 1.866e-01 -1.344e-02 Specific Conductance (µS/cm, 5°C) = 1668 Density (g/cm³) = 1.00188 Volume (L) = 1.00043 - Viscosity (mPa s) = 1.52903 + Viscosity (mPa s) = 1.52922 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.374e-02 Mass of water (kg) = 1.000e+00 @@ -283,7 +283,7 @@ Gypsum 0.00 -4.60 -4.60 2.000e-01 1.860e-01 -1.396e-02 Specific Conductance (µS/cm, 10°C) = 2000 Density (g/cm³) = 1.00167 Volume (L) = 1.00073 - Viscosity (mPa s) = 1.31635 + Viscosity (mPa s) = 1.31651 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.582e-02 Mass of water (kg) = 1.001e+00 @@ -349,10 +349,10 @@ Gypsum 0.00 -4.60 -4.60 2.000e-01 1.856e-01 -1.441e-02 pH = 7.221 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 2353 + Specific Conductance (µS/cm, 15°C) = 2352 Density (g/cm³) = 1.00111 Volume (L) = 1.00137 - Viscosity (mPa s) = 1.14751 + Viscosity (mPa s) = 1.14764 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.760e-02 Mass of water (kg) = 1.001e+00 @@ -421,7 +421,7 @@ Gypsum 0.00 -4.60 -4.60 2.000e-01 1.852e-01 -1.477e-02 Specific Conductance (µS/cm, 20°C) = 2721 Density (g/cm³) = 1.00025 Volume (L) = 1.00229 - Viscosity (mPa s) = 1.01096 + Viscosity (mPa s) = 1.01108 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.906e-02 Mass of water (kg) = 1.001e+00 @@ -490,7 +490,7 @@ Gypsum 0.00 -4.60 -4.60 2.000e-01 1.849e-01 -1.506e-02 Specific Conductance (µS/cm, 25°C) = 3100 Density (g/cm³) = 0.99912 Volume (L) = 1.00348 - Viscosity (mPa s) = 0.89879 + Viscosity (mPa s) = 0.89890 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.021e-02 Mass of water (kg) = 1.001e+00 @@ -559,7 +559,7 @@ Gypsum 0.00 -4.61 -4.61 2.000e-01 1.847e-01 -1.527e-02 Specific Conductance (µS/cm, 30°C) = 3485 Density (g/cm³) = 0.99774 Volume (L) = 1.00490 - Viscosity (mPa s) = 0.80539 + Viscosity (mPa s) = 0.80548 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.105e-02 Mass of water (kg) = 1.001e+00 @@ -628,7 +628,7 @@ Gypsum 0.00 -4.62 -4.62 2.000e-01 1.846e-01 -1.541e-02 Specific Conductance (µS/cm, 36°C) = 3913 Density (g/cm³) = 0.99593 Volume (L) = 1.00675 - Viscosity (mPa s) = 0.71852 + Viscosity (mPa s) = 0.71859 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.161e-02 Mass of water (kg) = 1.001e+00 @@ -697,7 +697,7 @@ Gypsum 0.00 -4.62 -4.62 2.000e-01 1.846e-01 -1.544e-02 Specific Conductance (µS/cm, 37°C) = 4048 Density (g/cm³) = 0.99531 Volume (L) = 1.00739 - Viscosity (mPa s) = 0.69418 + Viscosity (mPa s) = 0.69425 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.171e-02 Mass of water (kg) = 1.001e+00 @@ -766,7 +766,7 @@ Gypsum 0.00 -4.63 -4.63 2.000e-01 1.845e-01 -1.546e-02 Specific Conductance (µS/cm, 40°C) = 4250 Density (g/cm³) = 0.99431 Volume (L) = 1.00840 - Viscosity (mPa s) = 0.65972 + Viscosity (mPa s) = 0.65979 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.179e-02 Mass of water (kg) = 1.001e+00 @@ -835,7 +835,7 @@ Gypsum 0.00 -4.63 -4.63 2.000e-01 1.845e-01 -1.546e-02 Specific Conductance (µS/cm, 40°C) = 4263 Density (g/cm³) = 0.99425 Volume (L) = 1.00846 - Viscosity (mPa s) = 0.65762 + Viscosity (mPa s) = 0.65769 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.180e-02 Mass of water (kg) = 1.001e+00 @@ -904,7 +904,7 @@ Gypsum 0.00 -4.63 -4.63 2.000e-01 1.845e-01 -1.546e-02 Specific Conductance (µS/cm, 40°C) = 4265 Density (g/cm³) = 0.99423 Volume (L) = 1.00848 - Viscosity (mPa s) = 0.65725 + Viscosity (mPa s) = 0.65732 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.180e-02 Mass of water (kg) = 1.001e+00 @@ -973,7 +973,7 @@ Gypsum 0.00 -4.65 -4.65 2.000e-01 1.846e-01 -1.540e-02 Specific Conductance (µS/cm, 48°C) = 4811 Density (g/cm³) = 0.99116 Volume (L) = 1.01160 - Viscosity (mPa s) = 0.57496 + Viscosity (mPa s) = 0.57502 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.158e-02 Mass of water (kg) = 1.001e+00 @@ -1042,7 +1042,7 @@ Gypsum 0.00 -4.66 -4.66 2.000e-01 1.846e-01 -1.539e-02 Specific Conductance (µS/cm, 48°C) = 4859 Density (g/cm³) = 0.99086 Volume (L) = 1.01190 - Viscosity (mPa s) = 0.56838 + Viscosity (mPa s) = 0.56844 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.154e-02 Mass of water (kg) = 1.001e+00 @@ -1111,7 +1111,7 @@ Gypsum 0.00 -4.66 -4.66 2.000e-01 1.846e-01 -1.535e-02 Specific Conductance (µS/cm, 50°C) = 4982 Density (g/cm³) = 0.99007 Volume (L) = 1.01270 - Viscosity (mPa s) = 0.55169 + Viscosity (mPa s) = 0.55175 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.139e-02 Mass of water (kg) = 1.001e+00 @@ -1180,7 +1180,7 @@ Gypsum 0.00 -4.68 -4.68 2.000e-01 1.848e-01 -1.521e-02 Specific Conductance (µS/cm, 55°C) = 5308 Density (g/cm³) = 0.98778 Volume (L) = 1.01502 - Viscosity (mPa s) = 0.50978 + Viscosity (mPa s) = 0.50984 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.082e-02 Mass of water (kg) = 1.001e+00 @@ -1249,7 +1249,7 @@ Gypsum 0.00 -4.71 -4.71 2.000e-01 1.850e-01 -1.500e-02 Specific Conductance (µS/cm, 60°C) = 5629 Density (g/cm³) = 0.98521 Volume (L) = 1.01763 - Viscosity (mPa s) = 0.47100 + Viscosity (mPa s) = 0.47105 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.998e-02 Mass of water (kg) = 1.001e+00 @@ -1318,7 +1318,7 @@ Gypsum 0.00 -4.71 -4.71 2.000e-01 1.850e-01 -1.496e-02 Specific Conductance (µS/cm, 61°C) = 5680 Density (g/cm³) = 0.98476 Volume (L) = 1.01809 - Viscosity (mPa s) = 0.46500 + Viscosity (mPa s) = 0.46505 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.982e-02 Mass of water (kg) = 1.001e+00 @@ -1387,7 +1387,7 @@ Gypsum 0.00 -4.73 -4.73 2.000e-01 1.853e-01 -1.474e-02 Specific Conductance (µS/cm, 65°C) = 5919 Density (g/cm³) = 0.98252 Volume (L) = 1.02038 - Viscosity (mPa s) = 0.43732 + Viscosity (mPa s) = 0.43737 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.894e-02 Mass of water (kg) = 1.001e+00 @@ -1456,7 +1456,7 @@ Gypsum 0.00 -4.76 -4.76 2.000e-01 1.855e-01 -1.446e-02 Specific Conductance (µS/cm, 70°C) = 6159 Density (g/cm³) = 0.97991 Volume (L) = 1.02304 - Viscosity (mPa s) = 0.40978 + Viscosity (mPa s) = 0.40982 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.781e-02 Mass of water (kg) = 1.001e+00 @@ -1522,10 +1522,10 @@ Gypsum 0.00 -4.76 -4.76 2.000e-01 1.856e-01 -1.442e-02 pH = 6.544 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 70°C) = 6193 + Specific Conductance (µS/cm, 70°C) = 6192 Density (g/cm³) = 0.97952 Volume (L) = 1.02344 - Viscosity (mPa s) = 0.40596 + Viscosity (mPa s) = 0.40601 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.763e-02 Mass of water (kg) = 1.001e+00 @@ -1594,7 +1594,7 @@ Gypsum 0.00 -4.77 -4.77 2.000e-01 1.857e-01 -1.428e-02 Specific Conductance (µS/cm, 72°C) = 6286 Density (g/cm³) = 0.97836 Volume (L) = 1.02463 - Viscosity (mPa s) = 0.39524 + Viscosity (mPa s) = 0.39528 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.710e-02 Mass of water (kg) = 1.001e+00 @@ -1663,7 +1663,7 @@ Gypsum 0.00 -4.79 -4.79 2.000e-01 1.859e-01 -1.409e-02 Specific Conductance (µS/cm, 75°C) = 6402 Density (g/cm³) = 0.97679 Volume (L) = 1.02625 - Viscosity (mPa s) = 0.38165 + Viscosity (mPa s) = 0.38169 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.634e-02 Mass of water (kg) = 1.001e+00 @@ -1729,10 +1729,10 @@ Gypsum 0.00 -4.81 -4.81 2.000e-01 1.862e-01 -1.381e-02 pH = 6.482 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 79°C) = 6552 + Specific Conductance (µS/cm, 79°C) = 6551 Density (g/cm³) = 0.97449 Volume (L) = 1.02862 - Viscosity (mPa s) = 0.36369 + Viscosity (mPa s) = 0.36373 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.520e-02 Mass of water (kg) = 1.000e+00 @@ -1798,10 +1798,10 @@ Gypsum 0.00 -4.82 -4.82 2.000e-01 1.863e-01 -1.370e-02 pH = 6.472 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 6602 + Specific Conductance (µS/cm, 80°C) = 6601 Density (g/cm³) = 0.97363 Volume (L) = 1.02951 - Viscosity (mPa s) = 0.35750 + Viscosity (mPa s) = 0.35754 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.477e-02 Mass of water (kg) = 1.000e+00 @@ -1867,10 +1867,10 @@ Gypsum 0.00 -4.85 -4.85 2.000e-01 1.867e-01 -1.332e-02 pH = 6.442 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 85°C) = 6751 + Specific Conductance (µS/cm, 85°C) = 6750 Density (g/cm³) = 0.97067 Volume (L) = 1.03258 - Viscosity (mPa s) = 0.33788 + Viscosity (mPa s) = 0.33792 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.324e-02 Mass of water (kg) = 1.000e+00 @@ -1939,7 +1939,7 @@ Gypsum 0.00 -4.88 -4.88 2.000e-01 1.871e-01 -1.289e-02 Specific Conductance (µS/cm, 89°C) = 6875 Density (g/cm³) = 0.96745 Volume (L) = 1.03594 - Viscosity (mPa s) = 0.31923 + Viscosity (mPa s) = 0.31927 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.153e-02 Mass of water (kg) = 1.000e+00 @@ -2005,10 +2005,10 @@ Gypsum 0.00 -4.88 -4.88 2.000e-01 1.871e-01 -1.285e-02 pH = 6.412 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 90°C) = 6885 + Specific Conductance (µS/cm, 90°C) = 6884 Density (g/cm³) = 0.96715 Volume (L) = 1.03625 - Viscosity (mPa s) = 0.31765 + Viscosity (mPa s) = 0.31769 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.138e-02 Mass of water (kg) = 1.000e+00 @@ -2077,7 +2077,7 @@ Gypsum 0.00 -4.90 -4.90 2.000e-01 1.873e-01 -1.269e-02 Specific Conductance (µS/cm, 92°C) = 6921 Density (g/cm³) = 0.96594 Volume (L) = 1.03753 - Viscosity (mPa s) = 0.31129 + Viscosity (mPa s) = 0.31133 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.073e-02 Mass of water (kg) = 1.000e+00 @@ -2143,10 +2143,10 @@ Gypsum 0.00 -4.92 -4.92 2.000e-01 1.876e-01 -1.237e-02 pH = 6.384 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 95°C) = 6979 + Specific Conductance (µS/cm, 95°C) = 6978 Density (g/cm³) = 0.96356 Volume (L) = 1.04003 - Viscosity (mPa s) = 0.29968 + Viscosity (mPa s) = 0.29971 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.945e-02 Mass of water (kg) = 1.000e+00 diff --git a/mytest/gypsum_101.sel b/mytest/gypsum_101.sel index 9853bb5a6..2a07fd9f9 100644 --- a/mytest/gypsum_101.sel +++ b/mytest/gypsum_101.sel @@ -1,32 +1,32 @@ Mu SC - 0.000000100645 0.0546913894 - 0.051623981300 1389.9609241461 - 0.053739474507 1668.1180303928 - 0.055819304920 2000.4313325696 - 0.057597900826 2353.1126887184 - 0.059064573712 2721.4919659738 - 0.060214568852 3100.5934359126 - 0.061048557782 3485.2653906998 - 0.061612392539 3913.9927051808 - 0.061712490969 4048.4135872473 - 0.061794674411 4250.5810565551 - 0.061797103863 4263.3669033232 - 0.061797498084 4265.6220456312 - 0.061583894253 4811.9739665060 - 0.061535265943 4859.5031140532 - 0.061385405959 4982.8455163767 - 0.060815427933 5308.8324283607 - 0.059978735047 5629.5265109996 - 0.059816910720 5680.5412114936 - 0.058937383362 5919.3976857405 - 0.057810671639 6159.9515262084 - 0.057631736999 6193.2329873443 - 0.057095958657 6286.3466984228 - 0.056342205122 6402.8359007894 - 0.055203375744 6552.2767821821 - 0.054769278743 6602.0635852889 - 0.053237086144 6751.1716819512 - 0.051533464395 6875.6516827681 - 0.051376865802 6885.1842878772 - 0.050725531217 6921.6611613236 - 0.049446451409 6979.2774588386 + 0.000000100645 0.0546913895 + 0.051623981300 1389.8873854710 + 0.053739474507 1668.0286259477 + 0.055819304920 2000.3248053453 + 0.057597900826 2352.9896365876 + 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+ 0.039642056513 7036.7646410085 + 0.035883502875 6589.9857861768 + 0.032447389271 6158.4272018638 + 0.029313464177 5743.7009771333 + 0.026461998964 5347.1402947046 + 0.023873719312 4969.7833509819 + 0.021529778387 4612.3646564414 + 0.019411773347 4275.3158190463 + 0.017501800620 3958.7767805453 + 0.015782540309 3662.6171798740 + 0.014237356916 3386.4663161326 + 0.012850402728 3129.7493009236 + 0.011606711572 2891.7265565787 diff --git a/mytest/gypsum_P_101.sel b/mytest/gypsum_P_101.sel index eb8e3bd98..35c200d2d 100644 --- a/mytest/gypsum_P_101.sel +++ b/mytest/gypsum_P_101.sel @@ -1,12 +1,12 @@ Mu SC - 0.000000328030 0.2628449010 - 0.035263345576 4105.1646436497 - 0.039198421868 4567.3246026594 - 0.043200998889 5037.5059230194 - 0.047241261214 5512.0855246572 - 0.051291377358 5987.6474751053 - 0.055325949357 6461.0409416856 - 0.058471858771 6833.7104233549 - 0.061241521532 7162.9882269982 - 0.063889527089 7477.2901212553 - 0.066415326315 7776.3510851223 + 0.000000328030 0.2628448998 + 0.035263345576 4105.1645799519 + 0.039198421868 4567.3245247727 + 0.043200998889 5037.5058290684 + 0.047241261214 5512.0854126418 + 0.051291377358 5987.6473428888 + 0.055325949357 6461.0407869770 + 0.058471858771 6833.7102469793 + 0.061241521532 7162.9880281832 + 0.063889527089 7477.2898981685 + 0.066415326315 7776.3508357570 diff --git a/mytest/halite.out b/mytest/halite.out index 8aecd0436..e789e63cf 100644 --- a/mytest/halite.out +++ b/mytest/halite.out @@ -606,7 +606,7 @@ Halite -0.00 1.65 1.65 1.000e+01 3.674e+00 -6.326e+00 pH = 6.151 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 466509 + Specific Conductance (µS/cm, 30°C) = 466508 Density (g/cm³) = 1.24518 Volume (L) = 1.09999 Viscosity (mPa s) = 0.83701 diff --git a/mytest/halite_101.sel b/mytest/halite_101.sel index cad5b6a42..ac5aa214e 100644 --- a/mytest/halite_101.sel +++ b/mytest/halite_101.sel @@ -1,12 +1,12 @@ Mu SC - 0.000000121213 0.0706525638 - 6.093624033220 448242.0813402906 - 6.160176768737 454700.9629317971 - 6.210167243086 459670.6737706516 - 6.246904944307 463232.4685781698 - 6.273580859847 465538.1463019481 - 6.293402935747 466764.0259930123 - 6.309620217177 467062.0486080294 - 6.325544094620 466509.0014778182 - 6.344567135711 465045.1095078797 - 6.370182841434 462385.2195650492 + 0.000000121213 0.0706525639 + 6.093624033220 448242.0790458894 + 6.160176768737 454700.9605096157 + 6.210167243086 459670.6712278777 + 6.246904944307 463232.4659221268 + 6.273580859847 465538.1435395923 + 6.293402935747 466764.0231307620 + 6.309620217177 467062.0456520282 + 6.325544094620 466508.9984347165 + 6.344567135711 465045.1063862992 + 6.370182841434 462385.2163780713 diff --git a/mytest/hittorf1.out b/mytest/hittorf1.out index 56c33c667..95de2a969 100644 --- a/mytest/hittorf1.out +++ b/mytest/hittorf1.out @@ -80,9 +80,9 @@ Initial solution 0. cathode Activity of water = 0.876 Ionic strength (mol/kgw) = 3.660e+00 Mass of water (kg) = 1.800e-02 - Total alkalinity (eq/kg) = -2.572e-16 + Total alkalinity (eq/kg) = -2.679e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.356e-17 + Electrical balance (eq) = 2.354e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.998224e+00 @@ -103,7 +103,6 @@ H(0) 7.668e-26 H2 3.834e-26 8.905e-26 -25.416 -25.050 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.563 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.761 -42.395 0.366 30.40 @@ -157,7 +156,7 @@ Cerargyrite 0.00 -9.75 -9.75 1.000e+01 1.000e+01 -8.953e-13 Mass of water (kg) = 1.800e-02 Total alkalinity (eq/kg) = -1.234e-14 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.512e-17 + Electrical balance (eq) = 3.500e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.998224e+00 @@ -180,7 +179,6 @@ H(0) 1.050e-24 H2 5.252e-25 1.220e-24 -24.280 -23.914 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.563 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.034 -44.668 0.366 30.40 @@ -239,7 +237,7 @@ Initial solution 1. Activity of water = 0.876 Ionic strength (mol/kgw) = 3.660e+00 Mass of water (kg) = 1.000e-03 - Total alkalinity (eq/kg) = 7.419e-17 + Total alkalinity (eq/kg) = 6.052e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.770e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -262,7 +260,6 @@ H(0) 7.668e-26 H2 3.834e-26 8.905e-26 -25.416 -25.050 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.563 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.761 -42.395 0.366 30.40 @@ -324,7 +321,7 @@ Initial solution 101. anode Activity of water = 0.876 Ionic strength (mol/kgw) = 3.660e+00 Mass of water (kg) = 1.800e-02 - Total alkalinity (eq/kg) = -1.674e-16 + Total alkalinity (eq/kg) = -1.811e-16 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.80 Electrical balance (eq) = 3.663e-17 @@ -348,7 +345,6 @@ H(0) 7.668e-26 H2 3.834e-26 8.905e-26 -25.416 -25.050 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.563 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.761 -42.395 0.366 30.40 @@ -403,7 +399,7 @@ Cerargyrite 0.00 -9.75 -9.75 1.000e+01 1.000e+01 -8.953e-13 Total alkalinity (eq/kg) = -1.234e-14 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.80 - Electrical balance (eq) = 4.900e-17 + Electrical balance (eq) = 4.888e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.998224e+00 @@ -426,7 +422,6 @@ H(0) 1.050e-24 H2 5.252e-25 1.220e-24 -24.280 -23.914 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.563 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.034 -44.668 0.366 30.40 @@ -493,7 +488,7 @@ Mixture 1000. conc`s in the cathode cell Mass of water (kg) = 1.800e-02 Total alkalinity (eq/kg) = -1.234e-14 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.512e-17 + Electrical balance (eq) = 3.500e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.998224e+00 @@ -516,7 +511,6 @@ H(0) 1.050e-24 H2 5.252e-25 1.220e-24 -24.280 -23.914 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.563 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.034 -44.668 0.366 30.40 @@ -583,7 +577,7 @@ Mixture 1001. conc`s in the anode cell Mass of water (kg) = 1.800e-02 Total alkalinity (eq/kg) = -1.234e-14 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.900e-17 + Electrical balance (eq) = 4.888e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.998224e+00 @@ -606,7 +600,6 @@ H(0) 1.050e-24 H2 5.252e-25 1.220e-24 -24.280 -23.914 0.366 28.61 Na 3.660e+00 Na+ 3.660e+00 3.889e+00 0.563 0.590 0.026 0.67 - NaOH 1.323e-17 3.073e-17 -16.878 -16.512 0.366 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.034 -44.668 0.366 30.40 diff --git a/mytest/hittorf1_101.sel b/mytest/hittorf1_101.sel index 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0.000e+00 O2 0.000e+00 0.000e+00 -42.090 -42.090 0.000 30.40 diff --git a/mytest/i2_101.sel b/mytest/i2_101.sel index 49f66d215..f5cd612fe 100644 --- a/mytest/i2_101.sel +++ b/mytest/i2_101.sel @@ -1,53 +1,53 @@ Mu SC - 0.010001112419 0.1767168685 - 0.000001101730 0.1802865511 - 0.010001112442 0.1767168684 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.000001101730 0.1802865511 - 0.010001112442 0.1767168685 - 0.009965604954 0.1767222044 - 0.009813248873 0.1767512638 - 0.009315943898 0.1768477288 - 0.008143804364 0.1770103383 - 0.006152556681 0.1773226255 - 0.003780677613 0.1779298600 - 0.001839560577 0.1787584255 + 0.010001112419 0.1767168683 + 0.000001101730 0.1802865512 + 0.010001112442 0.1767168682 + 0.000001101730 0.1802865512 + 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0.000001387753 0.0548214285 - 0.000000101644 0.0547822010 + 0.000000101644 0.0547822011 diff --git a/mytest/i3_101.sel b/mytest/i3_101.sel index 3e6006841..80a899607 100644 --- a/mytest/i3_101.sel +++ b/mytest/i3_101.sel @@ -1,7 +1,7 @@ Mu SC - 0.001410196335 114.8523511647 + 0.001410196335 114.8523511978 0.000000100644 0.0547821299 - 0.001410196335 114.8523511647 + 0.001410196335 114.8523511978 0.000000100644 0.0547821299 0.000000100644 0.0547821299 0.000000100644 0.0547821299 @@ -13,21 +13,21 @@ 0.000000100644 0.0547821299 0.000000100644 0.0547821299 0.000000100644 0.0547821299 - 0.001410196335 114.8523511647 - 0.001208128469 98.6917542265 - 0.000831318299 68.3588387997 - 0.000523149695 43.3169330631 - 0.000300620886 25.0625689321 - 0.000157799345 13.2450536855 - 0.000075772430 6.4088319591 - 0.000033339697 2.8531974343 - 0.000013436508 1.1781049154 - 0.000004862483 0.4512425331 - 0.000001232042 0.1387148782 + 0.001410196335 114.8523511979 + 0.001208128469 98.6917542565 + 0.000831318299 68.3588388220 + 0.000523149695 43.3169330774 + 0.000300620886 25.0625689401 + 0.000157799345 13.2450536895 + 0.000075772430 6.4088319608 + 0.000033339697 2.8531974350 + 0.000013436508 1.1781049157 + 0.000004862483 0.4512425332 + 0.000001232042 0.1387148783 0.000000100644 0.0547821299 - 0.001410196335 114.8523511649 + 0.001410196335 114.8523511981 0.000000100644 0.0547821299 - 0.001410196335 114.8523511649 + 0.001410196335 114.8523511981 0.000000100644 0.0547821299 0.000000100644 0.0547821299 0.000000100644 0.0547821299 @@ -39,15 +39,15 @@ 0.000000100644 0.0547821299 0.000000100644 0.0547821299 0.000000100644 0.0547821299 - 0.001410196335 114.8523511649 - 0.001180322851 96.4405264034 - 0.000757115075 62.2981385243 - 0.000427243538 35.4144063285 - 0.000209785010 17.5164011939 - 0.000088781401 7.4701973776 - 0.000032117307 2.7328459242 - 0.000009880269 0.8641762746 - 0.000002602898 0.2506654283 + 0.001410196335 114.8523511981 + 0.001180322851 96.4405264339 + 0.000757115075 62.2981385477 + 0.000427243538 35.4144063440 + 0.000209785010 17.5164012025 + 0.000088781401 7.4701973816 + 0.000032117307 2.7328459258 + 0.000009880269 0.8641762751 + 0.000002602898 0.2506654285 0.000000626566 0.0856184693 0.000000178043 0.0541343607 0.000000100644 0.0547821299 diff --git a/mytest/i4.out b/mytest/i4.out index 7b7c218e2..4fed03558 100644 --- a/mytest/i4.out +++ b/mytest/i4.out @@ -87,7 +87,6 @@ H(0) 1.006e-25 Na 2.000e+00 Na+ 1.241e+00 9.538e-01 0.094 -0.021 -0.114 -0.07 NaSO4- 7.588e-01 4.854e-01 -0.120 -0.314 -0.194 15.77 - NaOH 6.601e-18 9.286e-18 -17.180 -17.032 0.148 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.262 -42.114 0.148 30.40 S(6) 1.000e+00 diff --git a/mytest/i4.prn b/mytest/i4.prn index 2e9bb4b61..b82812e11 100644 --- a/mytest/i4.prn +++ b/mytest/i4.prn @@ -12,16 +12,16 @@ 0.0000e+00 2.0000e+00 1.0000e+00 0.0000e+00 7.0000e+00 4.0000e+00 -8.3267e-16 - 2.0000e-03 1.8726e+00 9.3632e-01 0.0000e+00 6.9991e+00 1.1079e+01 2.0429e-11 - 6.0000e-03 1.6138e+00 8.0692e-01 0.0000e+00 7.0006e+00 1.1150e+01 2.6535e-11 - 1.0000e-02 1.3610e+00 6.8050e-01 0.0000e+00 7.0020e+00 1.1115e+01 -1.7568e-12 - 1.4000e-02 1.1201e+00 5.6007e-01 0.0000e+00 7.0014e+00 1.1151e+01 -1.7529e-12 - 1.8000e-02 8.9614e-01 4.4807e-01 0.0000e+00 6.9994e+00 1.1145e+01 -1.5706e-12 - 2.2000e-02 6.9216e-01 3.4608e-01 0.0000e+00 6.9917e+00 1.1070e+01 -1.2506e-12 - 2.6000e-02 5.0916e-01 2.5458e-01 0.0000e+00 6.9821e+00 1.1076e+01 -9.2459e-13 - 3.0000e-02 3.4564e-01 1.7282e-01 0.0000e+00 6.9705e+00 1.1037e+01 -6.1492e-13 - 3.4000e-02 1.9766e-01 9.8832e-02 0.0000e+00 6.9541e+00 1.1046e+01 -2.5227e-13 - 3.8000e-02 5.9586e-02 2.9793e-02 0.0000e+00 6.9535e+00 1.1092e+01 -1.9713e-14 + 2.0000e-03 1.8726e+00 9.3632e-01 0.0000e+00 6.9991e+00 1.1169e+01 1.9574e-11 + 6.0000e-03 1.6138e+00 8.0692e-01 0.0000e+00 7.0006e+00 1.1178e+01 2.6544e-11 + 1.0000e-02 1.3610e+00 6.8050e-01 0.0000e+00 7.0020e+00 1.1144e+01 -1.7473e-12 + 1.4000e-02 1.1201e+00 5.6007e-01 0.0000e+00 7.0014e+00 1.1171e+01 -1.7622e-12 + 1.8000e-02 8.9614e-01 4.4807e-01 0.0000e+00 6.9994e+00 1.1158e+01 -1.5722e-12 + 2.2000e-02 6.9216e-01 3.4608e-01 0.0000e+00 6.9917e+00 1.1159e+01 -1.2448e-12 + 2.6000e-02 5.0916e-01 2.5458e-01 0.0000e+00 6.9821e+00 1.1111e+01 -9.2562e-13 + 3.0000e-02 3.4564e-01 1.7282e-01 0.0000e+00 6.9705e+00 1.1169e+01 -6.1207e-13 + 3.4000e-02 1.9766e-01 9.8832e-02 0.0000e+00 6.9541e+00 1.1160e+01 -2.5319e-13 + 3.8000e-02 5.9586e-02 2.9793e-02 0.0000e+00 6.9535e+00 1.1094e+01 1.2983e-14 4.0000e-02 0.0000e+00 0.0000e+00 0.0000e+00 6.9974e+00 4.0000e+00 2.1176e-22 @@ -38,14 +38,14 @@ 0.0000e+00 2.0000e+00 1.0000e+00 0.0000e+00 7.0000e+00 1.1534e+01 -7.7716e-16 - 2.0000e-03 1.8021e+00 9.0104e-01 0.0000e+00 7.0253e+00 1.1498e+01 6.7724e-15 - 6.0000e-03 1.4182e+00 7.0910e-01 0.0000e+00 7.0725e+00 1.1425e+01 2.0428e-14 - 1.0000e-02 1.0681e+00 5.3404e-01 0.0000e+00 7.1121e+00 1.1359e+01 3.0920e-14 - 1.4000e-02 7.6771e-01 3.8386e-01 0.0000e+00 7.1414e+00 1.1304e+01 3.6027e-14 - 1.8000e-02 5.2536e-01 2.6268e-01 0.0000e+00 7.1590e+00 1.1265e+01 3.4500e-14 - 2.2000e-02 3.4134e-01 1.7067e-01 0.0000e+00 7.1645e+00 1.1239e+01 2.6923e-14 - 2.6000e-02 2.0955e-01 1.0477e-01 0.0000e+00 7.1586e+00 1.1229e+01 1.4974e-14 - 3.0000e-02 1.1978e-01 5.9892e-02 0.0000e+00 7.1422e+00 1.1238e+01 4.1356e-15 - 3.4000e-02 6.0047e-02 3.0023e-02 0.0000e+00 7.1147e+00 1.1262e+01 2.4217e-15 - 3.8000e-02 1.8067e-02 9.0333e-03 0.0000e+00 7.0648e+00 1.1312e+01 9.3675e-16 + 2.0000e-03 1.8021e+00 9.0104e-01 0.0000e+00 7.0253e+00 1.1497e+01 6.6613e-15 + 6.0000e-03 1.4182e+00 7.0910e-01 0.0000e+00 7.0725e+00 1.1425e+01 2.0373e-14 + 1.0000e-02 1.0681e+00 5.3404e-01 0.0000e+00 7.1121e+00 1.1358e+01 3.0920e-14 + 1.4000e-02 7.6771e-01 3.8386e-01 0.0000e+00 7.1414e+00 1.1304e+01 3.6249e-14 + 1.8000e-02 5.2536e-01 2.6268e-01 0.0000e+00 7.1590e+00 1.1264e+01 3.4583e-14 + 2.2000e-02 3.4134e-01 1.7067e-01 0.0000e+00 7.1645e+00 1.1242e+01 2.6729e-14 + 2.6000e-02 2.0955e-01 1.0477e-01 0.0000e+00 7.1586e+00 1.1232e+01 1.4932e-14 + 3.0000e-02 1.1978e-01 5.9892e-02 0.0000e+00 7.1422e+00 1.1240e+01 4.1772e-15 + 3.4000e-02 6.0047e-02 3.0023e-02 0.0000e+00 7.1147e+00 1.1263e+01 2.4772e-15 + 3.8000e-02 1.8067e-02 9.0333e-03 0.0000e+00 7.0648e+00 1.1312e+01 9.5757e-16 4.0000e-02 0.0000e+00 0.0000e+00 0.0000e+00 6.9974e+00 4.0000e+00 2.1176e-22 diff --git a/mytest/i4_101.sel b/mytest/i4_101.sel index 71d9e79d8..984e9e3f1 100644 --- a/mytest/i4_101.sel +++ b/mytest/i4_101.sel @@ -1,7 +1,7 @@ Mu SC - 1.482359875372 91784.0486237492 + 1.482359875372 91784.0480850104 0.000000100644 0.0547821292 - 1.482359875372 91784.0486237492 + 1.482359875372 91784.0480850104 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 @@ -13,21 +13,21 @@ 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 - 1.482359875372 91784.0486237492 - 1.404351889415 88320.8657110597 - 1.242780006936 80626.9082409723 - 1.080242287088 72179.6779746328 - 0.920030241013 63169.4390327399 - 0.765031712267 53826.0708627900 - 0.617288259581 44374.3706350432 - 0.477481903923 34973.2267640571 - 0.344292968107 25640.3226781430 - 0.213342874984 16145.6012336238 - 0.074094643417 5738.6985291059 + 1.482359875372 91784.0480850104 + 1.404351889415 88320.8651957159 + 1.242780006936 80626.9077765532 + 1.080242287088 72179.6775698014 + 0.920030241013 63169.4386946414 + 0.765031712267 53826.0705936949 + 0.617288259581 44374.3704346730 + 0.477481903923 34973.2266255041 + 0.344292968107 25640.3225924842 + 0.213342874984 16145.6011914045 + 0.074094643417 5738.6985191005 0.000000100644 0.0547821292 - 1.482359875372 91784.0486237464 + 1.482359875372 91784.0480850076 0.000000100644 0.0547821292 - 1.482359875372 91784.0486237452 + 1.482359875372 91784.0480850064 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 @@ -39,15 +39,15 @@ 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 - 1.482359875372 91784.0486237452 - 1.360734558398 86313.1182647012 - 1.117477915833 74177.1029050814 - 0.884573632470 61085.5104001696 - 0.672868198348 47990.3791818002 - 0.490202769733 35846.0018825084 - 0.340651778198 25380.3884606372 - 0.224369378934 16956.2890819921 - 0.137894141689 10546.1256324211 - 0.074610110887 5777.8298753260 - 0.024719008980 1956.6826880247 + 1.482359875372 91784.0480850064 + 1.360734558398 86313.1177314865 + 1.117477915833 74177.1024117329 + 0.884573632470 61085.5099837286 + 0.672868198348 47990.3788651638 + 0.490202769733 35846.0016667736 + 0.340651778198 25380.3883287880 + 0.224369378934 16956.2890094983 + 0.137894141689 10546.1255968258 + 0.074610110887 5777.8298607007 + 0.024719008980 1956.6826848557 0.000000100644 0.0547821292 diff --git a/mytest/i5_101.sel b/mytest/i5_101.sel index 1f64d2070..155fd9d8d 100644 --- a/mytest/i5_101.sel +++ b/mytest/i5_101.sel @@ -1,10 +1,10 @@ Mu SC - 0.010000112418 0.0587955791 + 0.010000112418 0.0587955789 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 - 0.010000112418 0.0587955791 + 0.010000112418 0.0587955789 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 @@ -12,18 +12,18 @@ 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 - 0.010000112418 0.0587955791 - 0.003825989318 0.0573937231 + 0.010000112418 0.0587955789 + 0.003825989318 0.0573937230 0.000636596473 0.0558621159 0.000000100644 0.0547821292 - 0.002835668838 0.0570737737 + 0.002835668838 0.0570737736 0.000472807804 0.0557486404 0.002402421414 0.0568759054 - 0.002627229345 0.0569810390 - 0.010000112418 0.0587955791 + 0.002627229345 0.0569810389 + 0.010000112418 0.0587955789 0.000000100644 0.0547821292 0.000000100644 0.0547821292 - 0.010000112418 0.0587955791 + 0.010000112418 0.0587955789 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 @@ -31,11 +31,11 @@ 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 - 0.010000112418 0.0587955791 - 0.002545840780 0.0569528839 + 0.010000112418 0.0587955789 + 0.002545840780 0.0569528838 0.000267359160 0.0555046369 0.000000100644 0.0547821292 - 0.001836402981 0.0566419766 + 0.001836402981 0.0566419765 0.000190681494 0.0553915645 0.001531021312 0.0564870367 - 0.001686533732 0.0565679070 + 0.001686533732 0.0565679069 diff --git a/mytest/i6.out b/mytest/i6.out index c61ec1501..e702a381a 100644 --- a/mytest/i6.out +++ b/mytest/i6.out @@ -93,7 +93,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-06 Na+ 1.000e-06 9.988e-07 -6.000 -6.001 -0.001 -1.52 - NaOH 1.011e-23 1.011e-23 -22.995 -22.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -292,7 +291,7 @@ X 2.000e+00 mol ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance - pe = 10.760 Adjusted to redox equilibrium + pe = 10.761 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -302,7 +301,7 @@ X 2.000e+00 mol Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.218e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.934e-19 + Electrical balance (eq) = 1.957e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -322,13 +321,12 @@ Ca 4.996e-07 Cl 9.988e-07 Cl- 9.988e-07 9.973e-07 -6.001 -6.001 -0.001 18.05 HCl 3.436e-14 3.436e-14 -13.464 -13.464 0.000 (0) -H(0) 4.272e-39 - H2 2.136e-39 2.136e-39 -38.670 -38.670 0.000 28.61 +H(0) 4.250e-39 + H2 2.125e-39 2.125e-39 -38.673 -38.673 0.000 28.61 Na 8.869e-10 Na+ 8.869e-10 8.856e-10 -9.052 -9.053 -0.001 -1.52 - NaOH 8.964e-27 8.964e-27 -26.048 -26.048 0.000 (0) -O(0) 1.828e-15 - O2 9.138e-16 9.138e-16 -15.039 -15.039 0.000 30.40 +O(0) 1.847e-15 + O2 9.233e-16 9.233e-16 -15.035 -15.035 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -337,7 +335,7 @@ O(0) 1.828e-15 H2(g) -35.57 -38.67 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -16.62 -15.05 1.57 NaCl - O2(g) -12.15 -15.04 -2.89 O2 + O2(g) -12.14 -15.03 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/i6_101.sel b/mytest/i6_101.sel index 675ceed0b..54f7843f5 100644 --- a/mytest/i6_101.sel +++ b/mytest/i6_101.sel @@ -3,36 +3,36 @@ 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000100644 0.0547821292 - 0.000001599704 0.1757460173 + 0.000001599704 0.1757460172 0.000000100644 0.0547821292 0.000001100123 0.1801034252 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 0.000000100644 0.0547821286 0.000000100644 0.0547821286 0.000000100644 0.0547821286 0.000000100644 0.0547821278 0.000001100123 0.1801034252 - 0.000000912245 0.1142834932 + 0.000000912245 0.1142834931 0.000000255044 0.0600846903 - 0.000000100644 0.0547821287 + 0.000000100644 0.0547821288 0.000000752101 0.1009583557 0.000000220992 0.0592767383 0.000000679172 0.0951567164 0.000000717614 0.0981866000 0.000001100123 0.1801034252 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 - 0.000000100644 0.0547821287 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 + 0.000000100644 0.0547821288 0.000001100123 0.1801034252 0.000000482259 0.0770013292 0.000000140723 0.0533523939 - 0.000000100644 0.0547821287 + 0.000000100644 0.0547821288 0.000000376011 0.0681560108 0.000000129224 0.0533658086 0.000000330218 0.0645066204 diff --git a/mytest/i7.out b/mytest/i7.out index 823b0c06b..7aaf7cfe1 100644 --- a/mytest/i7.out +++ b/mytest/i7.out @@ -164,7 +164,7 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.138e-20 + Total alkalinity (eq/kg) = 7.168e-20 Temperature (°C) = 25.00 Electrical balance (eq) = -1.972e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -187,7 +187,6 @@ H(0) 1.435e-25 H2 7.175e-26 7.176e-26 -25.144 -25.144 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.700e-21 9.703e-21 -20.013 -20.013 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.092 -42.092 0.000 30.40 @@ -223,7 +222,7 @@ Initial solution 4. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 5.000e-01 - Total alkalinity (eq/kg) = -9.548e-20 + Total alkalinity (eq/kg) = -1.052e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -1.025e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -246,7 +245,6 @@ H(0) 1.435e-25 H2 7.175e-26 7.176e-26 -25.144 -25.144 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.700e-21 9.703e-21 -20.013 -20.013 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.092 -42.092 0.000 30.40 @@ -282,7 +280,7 @@ Initial solution 8. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 2.500e-01 - Total alkalinity (eq/kg) = -9.548e-20 + Total alkalinity (eq/kg) = -1.052e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -5.125e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -305,7 +303,6 @@ H(0) 1.435e-25 H2 7.175e-26 7.176e-26 -25.144 -25.144 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.700e-21 9.703e-21 -20.013 -20.013 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.092 -42.092 0.000 30.40 @@ -350,7 +347,7 @@ Su Cl 3.3533e-18 H 1.0415e-04 Na 9.9990e-01 - O 1.0430e-24 + O 1.0421e-24 Su 1.000e+00 moles @@ -384,7 +381,7 @@ Su Cl 1.6741e-18 H 1.0415e-04 Na 9.9990e-01 - O 2.6100e-25 + O 2.6051e-25 Su 1.000e+00 moles @@ -418,7 +415,7 @@ Su Cl 8.3644e-19 H 1.0415e-04 Na 9.9990e-01 - O 6.5370e-26 + O 6.5128e-26 Su 1.000e+00 moles @@ -441,7 +438,7 @@ Using surface 1. Diffuse Double Layer Surface-Complexation Model Su - 3.481e-09 Surface + diffuse layer charge, eq + 7.321e-10 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -9.649e-01 sigma, C/m² -2.622e-01 psi, V @@ -451,7 +448,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.000e-07 kg, 100.0% of total DDL-water. - viscosity: 0.89128 mPa s for DDL water. + viscosity: 0.89134 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -5.324e-01 V. @@ -464,7 +461,7 @@ Su Cl 9.7385e-32 H 1.0313e-04 Na 9.9000e-01 - O 1.1945e-24 + O 1.1935e-24 Su 1.000e+00 moles @@ -490,7 +487,7 @@ Su Specific Conductance (µS/cm, 25°C) = 456 Density (g/cm³) = 0.99729 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89128 + Viscosity (mPa s) = 0.89134 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-02 Mass of water (kg) = 1.000e+00 @@ -498,7 +495,7 @@ Su Temperature (°C) = 25.00 Electrical balance (eq) = 4.592e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (22 overall) + Iterations = 0 (23 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -519,13 +516,12 @@ Ap 9.901e-05 Cl 3.353e-18 Cl- 3.353e-18 3.020e-18 -17.475 -17.520 -0.045 18.14 HCl 9.705e-25 9.801e-25 -24.013 -24.009 0.004 (0) -H(0) 4.534e-15 - H2 2.267e-15 2.272e-15 -14.645 -14.644 0.001 28.61 +H(0) 4.537e-15 + H2 2.269e-15 2.274e-15 -14.644 -14.643 0.001 28.61 Na 9.900e-03 Na+ 9.900e-03 8.943e-03 -2.004 -2.049 -0.044 -1.38 - NaOH 9.584e-21 9.606e-21 -20.018 -20.017 0.001 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.094 -63.093 0.001 30.40 + O2 0.000e+00 0.000e+00 -63.095 -63.094 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -585,7 +581,7 @@ Mixture 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.500e-02 - Total alkalinity (eq/kg) = -9.547e-20 + Total alkalinity (eq/kg) = -1.052e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -3.087e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -608,7 +604,6 @@ H(0) 1.435e-25 H2 7.175e-26 7.176e-26 -25.144 -25.144 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.700e-21 9.703e-21 -20.013 -20.013 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.092 -42.092 0.000 30.40 diff --git a/mytest/i7.prn b/mytest/i7.prn index 317daf35f..7c405e3d2 100644 --- a/mytest/i7.prn +++ b/mytest/i7.prn @@ -8,18 +8,18 @@ 0.0000e+00 7.0000e+00 4.0000e+00 0.0000e+00 1.0000e+00 1.0000e+01 1.0000e+01 4.5924e-11 - 1.0000e+00 6.8324e+00 1.2849e+01 4.4274e-05 3.8329e-01 2.4692e+00 4.9590e+00 2.5670e-07 - 2.0000e+00 6.8300e+00 1.2830e+01 3.6133e-05 6.4150e-02 1.5027e-01 1.1934e+00 -1.0283e-06 + 1.0000e+00 6.8324e+00 1.2849e+01 4.4278e-05 3.8329e-01 2.4692e+00 4.9590e+00 2.6028e-07 + 2.0000e+00 6.8300e+00 1.2830e+01 3.6132e-05 6.4150e-02 1.5028e-01 1.1934e+00 -9.3471e-07 3.0000e+00 6.9970e+00 4.3000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -1.9722e-17 - 4.0000e+00 6.8599e+00 1.2829e+01 4.7349e-05 2.7965e-01 1.4456e+00 4.1465e+00 -5.3812e-07 - 5.0000e+00 6.8570e+00 1.2809e+01 3.8221e-05 4.6906e-02 9.7011e-02 9.5554e-01 -2.0873e-06 - 6.0000e+00 6.8777e+00 1.2812e+01 4.7787e-05 2.3635e-01 1.2082e+00 3.8138e+00 -1.9764e-06 - 8.0000e+00 6.8670e+00 1.2825e+01 4.8726e-05 2.5878e-01 1.2863e+00 3.9870e+00 -1.0422e-06 + 4.0000e+00 6.8599e+00 1.2829e+01 4.7375e-05 2.7965e-01 1.4456e+00 4.1465e+00 -5.5480e-07 + 5.0000e+00 6.8570e+00 1.2809e+01 3.8218e-05 4.6906e-02 9.7013e-02 9.5554e-01 -2.0773e-06 + 6.0000e+00 6.8777e+00 1.2812e+01 4.7833e-05 2.3635e-01 1.2082e+00 3.8138e+00 -2.0229e-06 + 8.0000e+00 6.8671e+00 1.2825e+01 4.8748e-05 2.5878e-01 1.2862e+00 3.9871e+00 -1.0691e-06 - 0.0000e+00 6.0260e+00 -2.7923e-01 0.0000e+00 1.0000e+00 9.9010e-02 1.0000e+01 4.5923e-11 + 0.0000e+00 6.0260e+00 -2.7937e-01 0.0000e+00 1.0000e+00 9.9010e-02 1.0000e+01 4.5923e-11 @@ -29,10 +29,10 @@ 0.0000e+00 7.0000e+00 4.0000e+00 0.0000e+00 1.0000e+00 1.0000e+01 1.0000e+01 4.5924e-11 - 1.0000e+00 6.4930e+00 1.3197e+01 4.8033e-05 2.5457e-01 1.9577e-02 2.5457e+00 1.0431e-08 - 2.0000e+00 6.9051e+00 1.2721e+01 2.6452e-05 2.6726e-02 3.0033e-06 2.6726e-01 -4.0434e-08 + 1.0000e+00 6.4930e+00 1.3197e+01 4.7961e-05 2.5457e-01 1.9577e-02 2.5457e+00 1.1929e-08 + 2.0000e+00 6.9051e+00 1.2721e+01 2.6446e-05 2.6726e-02 3.0033e-06 2.6726e-01 -3.9946e-08 3.0000e+00 6.9970e+00 4.3000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -1.9722e-17 - 4.0000e+00 6.5817e+00 1.3099e+01 4.4067e-05 1.8363e-01 1.3094e-04 1.8363e+00 2.7882e-08 - 5.0000e+00 6.9294e+00 1.2691e+01 2.5277e-05 1.9058e-02 3.9833e-09 1.9058e-01 -4.0587e-08 - 6.0000e+00 6.6279e+00 1.3036e+01 3.7660e-05 1.5309e-01 4.6609e-07 1.5309e+00 4.0184e-08 - 8.0000e+00 6.6036e+00 1.3076e+01 4.3631e-05 1.6864e-01 9.8412e-07 1.6864e+00 2.1571e-08 + 4.0000e+00 6.5817e+00 1.3099e+01 4.4028e-05 1.8363e-01 1.3094e-04 1.8363e+00 2.8388e-08 + 5.0000e+00 6.9294e+00 1.2691e+01 2.5266e-05 1.9058e-02 3.9833e-09 1.9058e-01 -4.0146e-08 + 6.0000e+00 6.6279e+00 1.3035e+01 3.7131e-05 1.5309e-01 4.6609e-07 1.5309e+00 3.9217e-08 + 8.0000e+00 6.6036e+00 1.3076e+01 4.3542e-05 1.6864e-01 9.8412e-07 1.6864e+00 2.2593e-08 diff --git a/mytest/i7_101.sel b/mytest/i7_101.sel index 729284df2..fdc2de9a3 100644 --- a/mytest/i7_101.sel +++ b/mytest/i7_101.sel @@ -1,47 +1,47 @@ Mu SC - 0.010000112418 0.0587955791 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.010000011940 456.4010241374 - 0.001000104161 122.9172139310 - 0.010000112441 0.0587955791 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.010000112441 0.0587955791 - 0.005389298508 168.4095629897 - 0.001964807318 144.0673111067 - 0.001000104161 122.9172139310 - 0.004720497790 196.1375040004 - 0.001827675901 147.6867669186 - 0.004459516321 200.5500541750 - 0.004591264830 199.9251045042 - 0.010000112418 0.0587955791 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.010000011940 456.4010241374 - 0.010000112441 0.0587955791 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.001000104161 122.9172139310 - 0.010000112441 0.0587955791 - 0.003291199504 210.1126593557 - 0.001240595344 132.2517618398 - 0.001000104161 122.9172139310 - 0.002652722368 186.6569148014 - 0.001171590427 129.5750848238 - 0.002377889882 176.1286264136 - 0.002517839142 181.4957744198 + 0.010000112418 0.0587955789 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.010000011940 456.3786701084 + 0.001000104161 122.9172139030 + 0.010000112441 0.0587955789 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.010000112441 0.0587955790 + 0.005389299515 168.4098186157 + 0.001964813892 144.0681590887 + 0.001000104161 122.9172139030 + 0.004720495946 196.1373092276 + 0.001827680913 147.6871115706 + 0.004459514602 200.5491659358 + 0.004591262806 199.9240066360 + 0.010000112418 0.0587955789 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.010000011940 456.3786701084 + 0.010000112441 0.0587955789 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.001000104161 122.9172139030 + 0.010000112441 0.0587955790 + 0.003291200253 210.1127289959 + 0.001240595588 132.2517850618 + 0.001000104161 122.9172139030 + 0.002652722622 186.6569385107 + 0.001171590647 129.5751057765 + 0.002377889399 176.1285807243 + 0.002517839653 181.4958224342 diff --git a/mytest/include.out b/mytest/include.out index 7ce2df106..64292ee9e 100644 --- a/mytest/include.out +++ b/mytest/include.out @@ -164,7 +164,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.242 -43.241 0.000 28.63 Na 1.000e-03 Na+ 1.000e-03 9.660e-04 -3.000 -3.015 -0.015 -2.49 - NaOH 5.291e-21 5.292e-21 -20.276 -20.276 0.000 (0) O(0) 2.025e-11 O2 1.012e-11 1.013e-11 -10.995 -10.995 0.000 28.95 @@ -241,7 +240,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.091 -40.091 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.655e-04 -3.000 -3.015 -0.015 -1.76 - NaOH 8.037e-21 8.039e-21 -20.095 -20.095 0.000 (0) O(0) 2.895e-14 O2 1.448e-14 1.448e-14 -13.839 -13.839 0.000 29.98 @@ -318,8 +316,7 @@ H(0) 2.165e-38 H2 1.082e-38 1.083e-38 -37.966 -37.966 0.000 28.60 Na 1.000e-03 Na+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 -1.23 - NaOH 1.174e-20 1.174e-20 -19.931 -19.930 0.000 (0) -O(0) 2.748e-15 +O(0) 2.747e-15 O2 1.374e-15 1.374e-15 -14.862 -14.862 0.000 30.77 ------------------------------Saturation indices------------------------------- diff --git a/mytest/include_101.sel b/mytest/include_101.sel index 73a3f6aff..5d1352565 100644 --- a/mytest/include_101.sel +++ b/mytest/include_101.sel @@ -1,5 +1,5 @@ Mu SC 0.000000100661 0.0546997340 - 0.001000056109 86.7030611064 - 0.001000085639 110.5059792133 - 0.001000125485 135.6129138754 + 0.001000056109 86.7030610901 + 0.001000085639 110.5059791928 + 0.001000125485 135.6129138315 diff --git a/mytest/initial_gas.out b/mytest/initial_gas.out index 32db63968..08b24e613 100644 --- a/mytest/initial_gas.out +++ b/mytest/initial_gas.out @@ -124,10 +124,10 @@ O2(g) -1.00 -3.89 -2.89 1.000e+01 1.000e+01 -1.277e-04 pH = 6.730 Charge balance pe = 13.817 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 808 + Specific Conductance (µS/cm, 25°C) = 805 Density (g/cm³) = 0.99765 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89513 + Viscosity (mPa s) = 0.89949 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.355e-02 Mass of water (kg) = 9.999e-01 diff --git a/mytest/initial_gas_101.sel b/mytest/initial_gas_101.sel index 46a657f77..0925ef4fd 100644 --- a/mytest/initial_gas_101.sel +++ b/mytest/initial_gas_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000000100661 0.0546997340 - 0.013554106033 808.0895801743 - 0.013554106033 808.0895801743 + 0.013554106033 805.8714545539 + 0.013554106033 805.8714545539 diff --git a/mytest/is.out b/mytest/is.out index 3e31af997..f5a0504be 100644 --- a/mytest/is.out +++ b/mytest/is.out @@ -104,10 +104,10 @@ Initial solution 0. pH = 3.300 pe = 7.500 - Specific Conductance (µS/cm, 25°C) = 11448 + Specific Conductance (µS/cm, 25°C) = 11446 Density (g/cm³) = 1.01079 Volume (L) = 1.00426 - Viscosity (mPa s) = 0.91402 + Viscosity (mPa s) = 0.91483 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.123e-01 Mass of water (kg) = 1.000e+00 @@ -320,7 +320,6 @@ Na 9.542e-03 NaSO4- 1.744e-03 1.298e-03 -2.758 -2.887 -0.128 -0.55 NaHCO3 1.732e-08 1.909e-08 -7.762 -7.719 0.042 31.73 NaF 1.366e-09 1.435e-09 -8.864 -8.843 0.021 7.26 - NaOH 1.114e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.904 -42.883 0.021 30.40 S(6) 1.014e-01 @@ -552,7 +551,6 @@ N(5) 2.887e-39 Na 1.000e-03 Na+ 9.952e-04 9.555e-04 -3.002 -3.020 -0.018 -1.42 NaSO4- 4.773e-06 4.584e-06 -5.321 -5.339 -0.018 -20.19 - NaOH 1.313e-20 1.313e-20 -19.882 -19.882 0.000 (0) O(0) 5.027e-04 O2 2.514e-04 2.514e-04 -3.600 -3.600 0.000 30.48 S(-2) 5.000e-04 @@ -651,7 +649,7 @@ Calcite 0.00 -8.49 -8.49 1.000e+01 1.000e+01 -3.438e-04 Total CO2 (mol/kg) = 3.469e-04 Temperature (°C) = 26.00 Pressure (atm) = 1.00 - Electrical balance (eq) = -3.795e-18 + Electrical balance (eq) = -1.106e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 26 Total H = 1.099030e+02 @@ -722,7 +720,6 @@ Na 1.000e-03 Na+ 9.938e-04 9.416e-04 -3.003 -3.026 -0.023 -1.40 NaSO4- 5.946e-06 5.637e-06 -5.226 -5.249 -0.023 -18.88 NaHCO3 2.592e-07 2.595e-07 -6.586 -6.586 0.000 31.72 - NaOH 8.685e-19 8.690e-19 -18.061 -18.061 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.452 -73.452 0.000 30.48 S(-2) 3.734e-04 diff --git a/mytest/is_101.sel b/mytest/is_101.sel index a3b6cd214..4ab34c54e 100644 --- a/mytest/is_101.sel +++ b/mytest/is_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.212332583365 11448.7357363956 - 0.001339338050 124.9188466916 - 0.002435609827 205.6422779888 + 0.212332583365 11446.8708394438 + 0.001339338050 124.9188465242 + 0.002435609827 205.6421684685 diff --git a/mytest/jgb2col.out b/mytest/jgb2col.out index c5e941ea5..7ec63ff73 100644 --- a/mytest/jgb2col.out +++ b/mytest/jgb2col.out @@ -337,7 +337,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(6) 1.010e-01 @@ -488,7 +487,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 443 Density (g/cm³) = 0.99732 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89278 + Viscosity (mPa s) = 0.89306 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.074e-03 Mass of water (kg) = 1.000e+00 @@ -704,7 +703,6 @@ Na 9.603e-04 NaSO4- 6.718e-06 6.200e-06 -5.173 -5.208 -0.035 -16.66 NaHCO3 1.594e-06 1.599e-06 -5.797 -5.796 0.001 31.73 NaF 7.204e-09 7.214e-09 -8.142 -8.142 0.001 7.26 - NaOH 1.373e-20 1.375e-20 -19.862 -19.862 0.001 (0) O(0) 2.201e-04 O2 1.100e-04 1.102e-04 -3.958 -3.958 0.001 30.40 S(6) 7.002e-04 @@ -1093,7 +1091,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -1274,10 +1271,10 @@ Calcite 0.00 -8.48 -8.48 7.485e-02 6.137e-02 -1.348e-02 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 @@ -1496,7 +1493,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -1650,7 +1646,7 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 1.527e-16 +Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 1.665e-16 -----------------------------Solution composition------------------------------ @@ -1677,17 +1673,17 @@ Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 1.527e-16 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 4.252e-02 Total CO2 (mol/kg) = 2.214e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.459e-15 + Electrical balance (eq) = 1.292e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110216e+02 @@ -1899,7 +1895,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -2053,7 +2048,7 @@ Using pure phase assemblage 4. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 2.776e-17 +Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 1.388e-17 -----------------------------Solution composition------------------------------ @@ -2080,17 +2075,17 @@ Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 2.776e-17 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 4.252e-02 Total CO2 (mol/kg) = 2.214e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.484e-15 + Electrical balance (eq) = 1.557e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110216e+02 @@ -2302,7 +2297,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -2456,7 +2450,7 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 0.000e+00 +Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 -1.388e-17 -----------------------------Solution composition------------------------------ @@ -2483,17 +2477,17 @@ Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 0.000e+00 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 4.252e-02 Total CO2 (mol/kg) = 2.214e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.512e-15 + Electrical balance (eq) = 1.571e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110216e+02 @@ -2705,7 +2699,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -3113,7 +3106,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -3304,7 +3296,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.144e-18 + Electrical balance (eq) = -3.191e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 @@ -3516,7 +3508,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -3697,17 +3688,17 @@ Calcite 0.00 -8.48 -8.48 6.986e-02 4.774e-02 -2.212e-02 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 4.252e-02 Total CO2 (mol/kg) = 2.214e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.450e-15 + Electrical balance (eq) = 1.422e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110216e+02 @@ -3919,7 +3910,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -4073,7 +4063,7 @@ Using pure phase assemblage 4. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 1.388e-17 +Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 2.776e-17 -----------------------------Solution composition------------------------------ @@ -4100,10 +4090,10 @@ Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 1.388e-17 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 @@ -4322,7 +4312,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -4503,17 +4492,17 @@ Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 1.804e-16 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 4.252e-02 Total CO2 (mol/kg) = 2.214e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.353e-15 + Electrical balance (eq) = 1.366e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110216e+02 @@ -4725,7 +4714,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -5133,7 +5121,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -5324,7 +5311,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.144e-18 + Electrical balance (eq) = -3.191e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 @@ -5536,7 +5523,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -5727,7 +5713,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.071e-17 + Electrical balance (eq) = -8.059e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 @@ -5939,7 +5925,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -6120,17 +6105,17 @@ Calcite 0.00 -8.48 -8.48 5.623e-02 3.411e-02 -2.212e-02 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 4.252e-02 Total CO2 (mol/kg) = 2.214e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.437e-15 + Electrical balance (eq) = 1.326e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110216e+02 @@ -6342,7 +6327,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -6496,7 +6480,7 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 2.637e-16 +Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 4.163e-16 -----------------------------Solution composition------------------------------ @@ -6523,10 +6507,10 @@ Calcite 0.00 -8.48 -8.48 7.485e-02 7.485e-02 2.637e-16 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 @@ -6745,7 +6729,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -7153,7 +7136,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -7344,7 +7326,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.144e-18 + Electrical balance (eq) = -3.191e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 @@ -7556,7 +7538,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -7747,7 +7728,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.071e-17 + Electrical balance (eq) = -8.059e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 @@ -7959,7 +7940,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -8150,7 +8130,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.210e-17 + Electrical balance (eq) = 8.043e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110216e+02 @@ -8362,7 +8342,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -8543,17 +8522,17 @@ Calcite 0.00 -8.48 -8.48 4.260e-02 2.048e-02 -2.212e-02 pH = 6.315 Charge balance pe = 3.578 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 13099 + Specific Conductance (µS/cm, 25°C) = 13093 Density (g/cm³) = 1.01278 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.92522 + Viscosity (mPa s) = 0.92699 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.408e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 4.252e-02 Total CO2 (mol/kg) = 2.214e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.479e-15 + Electrical balance (eq) = 1.400e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110216e+02 @@ -8765,7 +8744,6 @@ Na 9.543e-03 NaSO4- 1.812e-03 1.335e-03 -2.742 -2.875 -0.133 0.30 NaHCO3 2.562e-05 2.863e-05 -4.591 -4.543 0.048 31.73 NaF 8.886e-09 9.393e-09 -8.051 -8.027 0.024 7.26 - NaOH 1.123e-20 1.187e-20 -19.950 -19.926 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.534 -46.510 0.024 30.40 S(-2) 0.000e+00 @@ -9173,7 +9151,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -9364,7 +9341,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.144e-18 + Electrical balance (eq) = -3.191e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 @@ -9576,7 +9553,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -9767,7 +9743,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.071e-17 + Electrical balance (eq) = -8.059e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 @@ -9979,7 +9955,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -10170,7 +10145,7 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.210e-17 + Electrical balance (eq) = 8.043e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110216e+02 @@ -10382,7 +10357,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 @@ -10573,8 +10547,8 @@ Calcite -9.24 -17.72 -8.48 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = -1.652e-03 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.476e-17 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.409e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.110216e+02 Total O = 5.591780e+01 @@ -10785,7 +10759,6 @@ Na 9.540e-03 NaSO4- 1.742e-03 1.297e-03 -2.759 -2.887 -0.128 -0.58 NaF 1.367e-09 1.435e-09 -8.864 -8.843 0.021 7.26 NaHCO3 4.372e-11 4.819e-11 -10.359 -10.317 0.042 31.73 - NaOH 1.115e-23 1.170e-23 -22.953 -22.932 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.904 -56.882 0.021 30.40 S(-2) 1.841e-26 diff --git a/mytest/jgb2col_101.sel b/mytest/jgb2col_101.sel index e4fc2aebf..934707458 100644 --- a/mytest/jgb2col_101.sel +++ b/mytest/jgb2col_101.sel @@ -1,128 +1,128 @@ Mu SC - 0.211242782845 11374.0445983404 - 0.006073558432 443.3443609528 - 0.240830142986 13099.3799511083 - 0.006488176916 469.7516169672 - 0.006488176916 469.7516169672 - 0.006488176916 469.7516169672 - 0.006488176916 469.7516169672 - 0.240830142986 13099.3799511083 - 0.240830142986 13099.3799511090 - 0.006488176916 469.7516169672 - 0.006488176916 469.7516169672 - 0.006488176916 469.7516169672 - 0.240830142986 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11374.0396925230 + 0.211242782845 11374.0396925253 + 0.211242782845 11374.0396925103 + 0.211242782845 11374.0396925149 + 0.211242782845 11374.0396925195 + 0.211242782845 11374.0396925230 + 0.211242782845 11374.0396925253 diff --git a/mytest/jgbcol.out b/mytest/jgbcol.out index 2106cafd2..23c1ad265 100644 --- a/mytest/jgbcol.out +++ b/mytest/jgbcol.out @@ -277,7 +277,6 @@ Na 9.538e-03 Na+ 7.813e-03 5.827e-03 -2.107 -2.235 -0.127 -0.92 NaSO4- 1.725e-03 1.286e-03 -2.763 -2.891 -0.128 -0.67 NaHCO3 4.391e-11 4.833e-11 -10.357 -10.316 0.042 31.73 - NaOH 1.119e-23 1.174e-23 -22.951 -22.931 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.903 -56.882 0.021 30.40 S(6) 1.018e-01 @@ -389,7 +388,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 441 Density (g/cm³) = 0.99730 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89276 + Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.051e-03 Mass of water (kg) = 1.000e+00 @@ -546,7 +545,6 @@ Na 9.603e-04 Na+ 9.520e-04 8.774e-04 -3.021 -3.057 -0.035 -1.41 NaSO4- 6.724e-06 6.207e-06 -5.172 -5.207 -0.035 -16.67 NaHCO3 1.595e-06 1.600e-06 -5.797 -5.796 0.001 31.73 - NaOH 1.373e-20 1.375e-20 -19.862 -19.862 0.001 (0) O(0) 2.201e-04 O2 1.100e-04 1.102e-04 -3.958 -3.958 0.001 30.40 S(6) 7.002e-04 @@ -652,7 +650,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 2.476e-02 1.759e-02 -7.169e-03 -AlOHSO4 -0.00 -2.20 -2.20 1.767e-02 3.534e-02 1.767e-02 +AlOHSO4 0.00 -2.20 -2.20 1.767e-02 3.534e-02 1.767e-02 Calcite -4.92 -13.40 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.234e-01 8.242e-01 7.126e-04 Gypsum 0.00 -4.58 -4.58 1.385e-01 1.395e-01 1.075e-03 @@ -689,7 +687,7 @@ MnO2 -16.26 25.12 41.38 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = 5.736e-05 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.569e-15 + Electrical balance (eq) = 6.610e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110115e+02 @@ -838,7 +836,6 @@ Na 9.538e-03 Na+ 7.879e-03 5.914e-03 -2.104 -2.228 -0.125 -0.95 NaSO4- 1.659e-03 1.246e-03 -2.780 -2.904 -0.124 -1.32 NaHCO3 5.466e-09 5.962e-09 -8.262 -8.225 0.038 31.73 - NaOH 2.062e-21 2.154e-21 -20.686 -20.667 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.911 -50.892 0.019 30.40 S(-2) 0.000e+00 @@ -896,7 +893,7 @@ Zn 3.349e-04 Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 - AlOHSO4 -0.00 -2.20 -2.20 AlOHSO4 + AlOHSO4 0.00 -2.20 -2.20 AlOHSO4 Alunite 9.45 8.05 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -5.06 -13.40 -8.34 CaCO3 @@ -956,7 +953,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 8.610e-06 1.502e-04 1.416e-04 AlOHSO4 -2.20 -4.40 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 9.922e-02 7.866e-02 -2.056e-02 -Fe(OH)3 0.00 4.89 4.89 7.968e-01 8.175e-01 2.073e-02 +Fe(OH)3 -0.00 4.89 4.89 7.968e-01 8.175e-01 2.073e-02 Gypsum 0.00 -4.58 -4.58 3.712e-02 5.676e-02 1.964e-02 MnO2 -17.00 24.38 41.38 9.697e-03 0 -9.697e-03 @@ -981,17 +978,17 @@ MnO2 -17.00 24.38 41.38 9.697e-03 0 -9.697e-03 pH = 6.621 Charge balance pe = 0.304 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 8889 + Specific Conductance (µS/cm, 25°C) = 8887 Density (g/cm³) = 1.00735 Volume (L) = 1.00247 - Viscosity (mPa s) = 0.91907 + Viscosity (mPa s) = 0.92031 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.603e-01 Mass of water (kg) = 9.986e-01 Total alkalinity (eq/kg) = 1.738e-02 Total CO2 (mol/kg) = 2.060e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.658e-14 + Electrical balance (eq) = -1.672e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.108703e+02 @@ -1140,7 +1137,6 @@ Na 9.552e-03 Na+ 8.085e-03 6.136e-03 -2.092 -2.212 -0.120 -0.99 NaSO4- 1.432e-03 1.090e-03 -2.844 -2.962 -0.118 -2.36 NaHCO3 3.481e-05 3.748e-05 -4.458 -4.426 0.032 31.73 - NaOH 2.497e-20 2.591e-20 -19.602 -19.586 0.016 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.398 -58.382 0.016 30.40 S(-2) 1.588e-30 @@ -1208,8 +1204,8 @@ Zn 3.353e-04 CO2(g) -0.95 -2.42 -1.47 CO2 Dolomite 0.18 -16.90 -17.08 CaMg(CO3)2 Epsomite -2.79 -4.53 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -22.05 -25.96 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -1255,12 +1251,12 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 0.000e+00 0 0.000e+00 +Al(OH)3(a) -0.00 10.80 10.80 0.000e+00 0 0.000e+00 AlOHSO4 -1.34 -3.54 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 -6.661e-16 +Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 1.943e-15 Fe(OH)3 -0.00 4.89 4.89 7.300e-01 7.300e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 0.000e+00 1.089e-15 1.089e-15 -MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 4.025e-16 +Gypsum -0.00 -4.58 -4.58 0.000e+00 0 0.000e+00 +MnO2 -0.00 41.38 41.38 4.500e-02 4.500e-02 -1.887e-15 -----------------------------Solution composition------------------------------ @@ -1283,18 +1279,18 @@ MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 4.025e-16 pH = 6.126 Charge balance pe = 9.609 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7887 + Specific Conductance (µS/cm, 25°C) = 7862 Density (g/cm³) = 1.00583 Volume (L) = 1.00071 - Viscosity (mPa s) = 0.92427 + Viscosity (mPa s) = 0.93526 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.362e-01 Mass of water (kg) = 9.959e-01 Total alkalinity (eq/kg) = 3.455e-02 Total CO2 (mol/kg) = 6.047e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.016e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 4.956e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.105900e+02 Total O = 5.560704e+01 @@ -1442,7 +1438,6 @@ Na 9.577e-03 Na+ 8.390e-03 6.441e-03 -2.076 -2.191 -0.115 -1.03 NaSO4- 1.102e-03 8.496e-04 -2.958 -3.071 -0.113 -3.36 NaHCO3 8.586e-05 9.142e-05 -4.066 -4.039 0.027 31.73 - NaOH 8.414e-21 8.683e-21 -20.075 -20.061 0.014 (0) O(0) 1.388e-23 O2 6.940e-24 7.162e-24 -23.159 -23.145 0.014 30.40 S(-2) 0.000e+00 @@ -1499,7 +1494,7 @@ Zn 3.362e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -1.34 -3.54 -2.20 AlOHSO4 Alunite 7.37 5.97 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -1515,7 +1510,7 @@ Zn 3.362e-04 FeS(ppt) -100.47 -104.38 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH - Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O + Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -31.52 -34.62 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -98.63 -106.56 -7.94 H2S @@ -1529,7 +1524,7 @@ Zn 3.362e-04 Manganite 0.31 25.65 25.34 MnOOH Melanterite -9.96 -12.17 -2.21 FeSO4:7H2O Mirabilite -5.24 -6.48 -1.24 Na2SO4:10H2O - MnO2 0.00 41.38 41.38 MnO2 + MnO2 -0.00 41.38 41.38 MnO2 O2(g) -20.25 -23.14 -2.89 O2 Pyrite -161.00 -179.48 -18.48 FeS2 Pyrochroite -5.29 9.91 15.20 Mn(OH)2 @@ -1559,10 +1554,10 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -0.04 10.76 10.80 0.000e+00 0 0.000e+00 AlOHSO4 -1.38 -3.58 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 -2.387e-15 +Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 1.046e-14 Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 0.000e+00 9.680e-15 9.680e-15 -MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -4.857e-16 +Gypsum -0.00 -4.58 -4.58 0.000e+00 0 0.000e+00 +MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -1.412e-14 -----------------------------Solution composition------------------------------ @@ -1585,17 +1580,17 @@ MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -4.857e-16 pH = 6.126 Charge balance pe = 9.609 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7887 + Specific Conductance (µS/cm, 25°C) = 7862 Density (g/cm³) = 1.00583 Volume (L) = 1.00071 - Viscosity (mPa s) = 0.92427 + Viscosity (mPa s) = 0.93526 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.362e-01 Mass of water (kg) = 9.959e-01 Total alkalinity (eq/kg) = 3.455e-02 Total CO2 (mol/kg) = 6.047e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.164e-13 + Electrical balance (eq) = -7.149e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.105900e+02 @@ -1744,7 +1739,6 @@ Na 9.577e-03 Na+ 8.390e-03 6.441e-03 -2.076 -2.191 -0.115 -1.03 NaSO4- 1.102e-03 8.496e-04 -2.958 -3.071 -0.113 -3.36 NaHCO3 8.586e-05 9.142e-05 -4.066 -4.039 0.027 31.73 - NaOH 8.414e-21 8.682e-21 -20.075 -20.061 0.014 (0) O(0) 1.388e-23 O2 6.941e-24 7.162e-24 -23.159 -23.145 0.014 30.40 S(-2) 0.000e+00 @@ -1817,7 +1811,7 @@ Zn 3.362e-04 FeS(ppt) -100.47 -104.38 -3.92 FeS Gibbsite 2.65 10.76 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH - Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O + Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -31.52 -34.62 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -98.63 -106.56 -7.94 H2S @@ -1859,12 +1853,12 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 0.000e+00 0 0.000e+00 +Al(OH)3(a) 0.00 10.80 10.80 0.000e+00 0 0.000e+00 AlOHSO4 -1.34 -3.54 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 3.386e-15 -Fe(OH)3 -0.00 4.89 4.89 7.300e-01 7.300e-01 0.000e+00 +Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 4.219e-15 +Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 0.000e+00 Gypsum -0.00 -4.58 -4.58 0.000e+00 0 0.000e+00 -MnO2 -0.00 41.38 41.38 4.500e-02 4.500e-02 -4.573e-15 +MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -5.718e-15 -----------------------------Solution composition------------------------------ @@ -1887,17 +1881,17 @@ MnO2 -0.00 41.38 41.38 4.500e-02 4.500e-02 -4.573e-15 pH = 6.126 Charge balance pe = 9.609 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7887 + Specific Conductance (µS/cm, 25°C) = 7862 Density (g/cm³) = 1.00583 Volume (L) = 1.00071 - Viscosity (mPa s) = 0.92427 + Viscosity (mPa s) = 0.93526 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.362e-01 Mass of water (kg) = 9.959e-01 Total alkalinity (eq/kg) = 3.455e-02 Total CO2 (mol/kg) = 6.047e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.822e-15 + Electrical balance (eq) = -5.086e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.105900e+02 @@ -2046,7 +2040,6 @@ Na 9.577e-03 Na+ 8.390e-03 6.441e-03 -2.076 -2.191 -0.115 -1.03 NaSO4- 1.102e-03 8.496e-04 -2.958 -3.071 -0.113 -3.36 NaHCO3 8.586e-05 9.142e-05 -4.066 -4.039 0.027 31.73 - NaOH 8.414e-21 8.683e-21 -20.075 -20.061 0.014 (0) O(0) 1.388e-23 O2 6.940e-24 7.162e-24 -23.159 -23.145 0.014 30.40 S(-2) 0.000e+00 @@ -2103,7 +2096,7 @@ Zn 3.362e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -1.34 -3.54 -2.20 AlOHSO4 Alunite 7.37 5.97 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -2114,8 +2107,8 @@ Zn 3.362e-04 CO2(g) -0.09 -1.56 -1.47 CO2 Dolomite 0.12 -16.97 -17.08 CaMg(CO3)2 Epsomite -2.86 -4.60 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -100.47 -104.38 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -2133,7 +2126,7 @@ Zn 3.362e-04 Manganite 0.31 25.65 25.34 MnOOH Melanterite -9.96 -12.17 -2.21 FeSO4:7H2O Mirabilite -5.24 -6.48 -1.24 Na2SO4:10H2O - MnO2 -0.00 41.38 41.38 MnO2 + MnO2 0.00 41.38 41.38 MnO2 O2(g) -20.25 -23.14 -2.89 O2 Pyrite -161.00 -179.48 -18.48 FeS2 Pyrochroite -5.29 9.91 15.20 Mn(OH)2 @@ -2169,7 +2162,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 AlOHSO4 0.00 -2.20 -2.20 8.141e-02 8.250e-02 1.093e-03 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 -0.00 4.89 4.89 8.244e-01 8.237e-01 -7.361e-04 +Fe(OH)3 0.00 4.89 4.89 8.244e-01 8.237e-01 -7.361e-04 Gypsum 0.00 -4.58 -4.58 1.440e-01 1.452e-01 1.180e-03 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 @@ -2353,7 +2346,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -2421,8 +2413,8 @@ Zn 3.349e-04 CO2(g) -3.50 -4.97 -1.47 CO2 Dolomite -16.93 -34.02 -17.08 CaMg(CO3)2 Epsomite -2.75 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -67.20 -71.11 -3.92 FeS Gibbsite -1.14 6.97 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -2496,17 +2488,17 @@ MnO2 -18.05 23.33 41.38 0.000e+00 0 0.000e+00 pH = 6.504 Charge balance pe = 0.489 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9721 + Specific Conductance (µS/cm, 25°C) = 9717 Density (g/cm³) = 1.00878 Volume (L) = 1.00250 - Viscosity (mPa s) = 0.92242 + Viscosity (mPa s) = 0.92480 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.765e-01 Mass of water (kg) = 9.983e-01 Total alkalinity (eq/kg) = 2.502e-02 Total CO2 (mol/kg) = 3.130e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.715e-13 + Electrical balance (eq) = 1.716e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.108520e+02 @@ -2655,7 +2647,6 @@ Na 9.554e-03 Na+ 8.011e-03 6.040e-03 -2.096 -2.219 -0.123 -0.96 NaSO4- 1.496e-03 1.130e-03 -2.825 -2.947 -0.122 -1.75 NaHCO3 4.693e-05 5.091e-05 -4.329 -4.293 0.035 31.73 - NaOH 1.868e-20 1.945e-20 -19.729 -19.711 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.130 -58.113 0.018 30.40 S(-2) 7.538e-31 @@ -2770,11 +2761,11 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 4.625e-05 4.625e-05 -2.085e-17 +Al(OH)3(a) -0.00 10.80 10.80 4.625e-05 4.625e-05 -3.384e-17 AlOHSO4 -2.37 -4.57 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 8.591e-02 8.591e-02 4.118e-14 -Fe(OH)3 0.00 4.89 4.89 8.151e-01 8.151e-01 -2.665e-14 -Gypsum 0.00 -4.58 -4.58 5.005e-02 5.005e-02 -4.021e-14 +Calcite 0.00 -8.48 -8.48 8.591e-02 8.591e-02 6.402e-14 +Fe(OH)3 0.00 4.89 4.89 8.151e-01 8.151e-01 -4.152e-14 +Gypsum 0.00 -4.58 -4.58 5.005e-02 5.005e-02 -6.098e-14 MnO2 -18.52 22.86 41.38 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -2798,18 +2789,18 @@ MnO2 -18.52 22.86 41.38 0.000e+00 0 0.000e+00 pH = 6.726 Charge balance pe = -0.207 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9795 + Specific Conductance (µS/cm, 25°C) = 9793 Density (g/cm³) = 1.00865 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.91917 + Viscosity (mPa s) = 0.91994 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.785e-01 Mass of water (kg) = 9.990e-01 Total alkalinity (eq/kg) = 1.641e-02 Total CO2 (mol/kg) = 1.847e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.061e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.739e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.109191e+02 Total O = 5.579700e+01 @@ -2957,7 +2948,6 @@ Na 9.547e-03 Na+ 7.968e-03 6.003e-03 -2.099 -2.222 -0.123 -0.96 NaSO4- 1.551e-03 1.170e-03 -2.809 -2.932 -0.122 -1.68 NaHCO3 2.910e-05 3.159e-05 -4.536 -4.500 0.036 31.73 - NaOH 3.097e-20 3.227e-20 -19.509 -19.491 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.022 -60.004 0.018 30.40 S(-2) 2.103e-27 @@ -3014,7 +3004,7 @@ Zn 3.352e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -2.37 -4.57 -2.20 AlOHSO4 Alunite 5.88 4.48 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -3100,10 +3090,10 @@ MnO2 -15.41 25.97 41.38 1.939e-02 0 -1.939e-02 pH = 6.372 Charge balance pe = 1.464 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 8035 + Specific Conductance (µS/cm, 25°C) = 8027 Density (g/cm³) = 1.00619 Volume (L) = 1.00168 - Viscosity (mPa s) = 0.92099 + Viscosity (mPa s) = 0.92499 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.426e-01 Mass of water (kg) = 9.976e-01 @@ -3259,7 +3249,6 @@ Na 9.561e-03 Na+ 8.245e-03 6.309e-03 -2.084 -2.200 -0.116 -1.02 NaSO4- 1.261e-03 9.688e-04 -2.899 -3.014 -0.114 -3.08 NaHCO3 5.538e-05 5.914e-05 -4.257 -4.228 0.029 31.73 - NaOH 1.452e-20 1.501e-20 -19.838 -19.824 0.014 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.751 -54.737 0.014 30.40 S(-2) 1.823e-37 @@ -3376,10 +3365,10 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 0.000e+00 0 0.000e+00 AlOHSO4 -1.65 -3.85 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 -1.366e-14 +Calcite 0.00 -8.48 -8.48 1.399e-01 1.399e-01 -5.052e-15 Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 0.000e+00 -Gypsum 0.00 -4.58 -4.58 0.000e+00 1.224e-14 1.224e-14 -MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 1.220e-14 +Gypsum 0.00 -4.58 -4.58 0.000e+00 4.533e-15 4.533e-15 +MnO2 -0.00 41.38 41.38 4.500e-02 4.500e-02 4.524e-15 -----------------------------Solution composition------------------------------ @@ -3402,17 +3391,17 @@ MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 1.220e-14 pH = 6.293 Charge balance pe = 9.259 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7855 + Specific Conductance (µS/cm, 25°C) = 7843 Density (g/cm³) = 1.00558 Volume (L) = 1.00130 - Viscosity (mPa s) = 0.92131 + Viscosity (mPa s) = 0.92654 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.359e-01 Mass of water (kg) = 9.970e-01 Total alkalinity (eq/kg) = 2.668e-02 Total CO2 (mol/kg) = 3.876e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.253e-14 + Electrical balance (eq) = -2.249e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 Total H = 1.107089e+02 @@ -3561,7 +3550,6 @@ Na 9.566e-03 Na+ 8.333e-03 6.399e-03 -2.079 -2.194 -0.115 -1.03 NaSO4- 1.172e-03 9.035e-04 -2.931 -3.044 -0.113 -3.37 NaHCO3 6.215e-05 6.616e-05 -4.207 -4.179 0.027 31.73 - NaOH 1.230e-20 1.269e-20 -19.910 -19.897 0.014 (0) O(0) 2.586e-24 O2 1.293e-24 1.334e-24 -23.888 -23.875 0.014 30.40 S(-2) 0.000e+00 @@ -3648,7 +3636,7 @@ Zn 3.358e-04 Manganite 0.49 25.83 25.34 MnOOH Melanterite -10.08 -12.29 -2.21 FeSO4:7H2O Mirabilite -5.22 -6.46 -1.24 Na2SO4:10H2O - MnO2 0.00 41.38 41.38 MnO2 + MnO2 -0.00 41.38 41.38 MnO2 O2(g) -20.98 -23.87 -2.89 O2 Pyrite -158.87 -177.35 -18.48 FeS2 Pyrochroite -4.92 10.28 15.20 Mn(OH)2 @@ -3684,7 +3672,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 AlOHSO4 0.00 -2.20 -2.20 8.687e-02 8.797e-02 1.093e-03 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 -0.00 4.89 4.89 8.207e-01 8.200e-01 -7.361e-04 +Fe(OH)3 0.00 4.89 4.89 8.207e-01 8.200e-01 -7.361e-04 Gypsum 0.00 -4.58 -4.58 1.499e-01 1.511e-01 1.180e-03 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 @@ -3868,7 +3856,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -3936,8 +3923,8 @@ Zn 3.349e-04 CO2(g) -3.50 -4.97 -1.47 CO2 Dolomite -16.93 -34.02 -17.08 CaMg(CO3)2 Epsomite -2.75 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -67.20 -71.11 -3.92 FeS Gibbsite -1.14 6.97 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -3984,9 +3971,9 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 -AlOHSO4 0.00 -2.20 -2.20 5.107e-02 5.107e-02 6.459e-14 +AlOHSO4 0.00 -2.20 -2.20 5.107e-02 5.107e-02 6.371e-14 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 0.00 4.89 4.89 8.314e-01 8.314e-01 -3.686e-14 +Fe(OH)3 0.00 4.89 4.89 8.314e-01 8.314e-01 -3.642e-14 Gypsum 0.00 -4.58 -4.58 1.331e-01 1.331e-01 3.053e-16 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 @@ -4170,7 +4157,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -4285,7 +4271,7 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 4.117e-04 1.415e-03 1.003e-03 +Al(OH)3(a) 0.00 10.80 10.80 4.117e-04 1.415e-03 1.003e-03 AlOHSO4 -2.89 -5.09 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 6.571e-02 5.560e-02 -1.011e-02 Fe(OH)3 0.00 4.89 4.89 8.193e-01 8.218e-01 2.436e-03 @@ -4316,14 +4302,14 @@ MnO2 -19.07 22.31 41.38 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 9859 Density (g/cm³) = 1.00856 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.91650 + Viscosity (mPa s) = 0.91671 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.802e-01 Mass of water (kg) = 9.995e-01 Total alkalinity (eq/kg) = 9.867e-03 Total CO2 (mol/kg) = 1.013e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.726e-13 + Electrical balance (eq) = 1.725e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.109617e+02 @@ -4472,7 +4458,6 @@ Na 9.543e-03 Na+ 7.937e-03 5.976e-03 -2.100 -2.224 -0.123 -0.96 NaSO4- 1.590e-03 1.199e-03 -2.798 -2.921 -0.123 -1.62 NaHCO3 1.626e-05 1.766e-05 -4.789 -4.753 0.036 31.73 - NaOH 5.650e-20 5.889e-20 -19.248 -19.230 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.212 -62.194 0.018 30.40 S(-2) 2.155e-23 @@ -4529,7 +4514,7 @@ Zn 3.350e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -2.89 -5.09 -2.20 AlOHSO4 Alunite 5.11 3.71 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -4587,11 +4572,11 @@ Using pure phase assemblage 4. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 5.097e-05 5.097e-05 5.773e-16 +Al(OH)3(a) 0.00 10.80 10.80 5.097e-05 5.097e-05 5.156e-17 AlOHSO4 -3.55 -5.75 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 7.999e-02 7.999e-02 -6.356e-14 -Fe(OH)3 -0.00 4.89 4.89 8.173e-01 8.173e-01 3.542e-14 -Gypsum 0.00 -4.58 -4.58 5.596e-02 5.596e-02 6.094e-14 +Calcite 0.00 -8.48 -8.48 7.999e-02 7.999e-02 -5.704e-15 +Fe(OH)3 0.00 4.89 4.89 8.173e-01 8.173e-01 3.220e-15 +Gypsum 0.00 -4.58 -4.58 5.596e-02 5.596e-02 5.475e-15 MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -4618,7 +4603,7 @@ MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 9907 Density (g/cm³) = 1.00851 Volume (L) = 1.00352 - Viscosity (mPa s) = 0.91452 + Viscosity (mPa s) = 0.91456 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.815e-01 Mass of water (kg) = 9.997e-01 @@ -4774,7 +4759,6 @@ Na 9.541e-03 Na+ 7.916e-03 5.958e-03 -2.101 -2.225 -0.123 -0.96 NaSO4- 1.617e-03 1.219e-03 -2.791 -2.914 -0.123 -1.57 NaHCO3 7.604e-06 8.267e-06 -5.119 -5.083 0.036 31.73 - NaOH 1.223e-19 1.275e-19 -18.913 -18.895 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.965 -64.947 0.018 30.40 S(-2) 2.575e-18 @@ -4842,8 +4826,8 @@ Zn 3.349e-04 CO2(g) -2.30 -3.77 -1.47 CO2 Dolomite 0.21 -16.87 -17.08 CaMg(CO3)2 Epsomite -2.76 -4.50 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -8.62 -12.54 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -4889,11 +4873,11 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 3.253e-06 3.253e-06 -2.331e-16 +Al(OH)3(a) -0.00 10.80 10.80 3.253e-06 3.253e-06 2.580e-16 AlOHSO4 -3.55 -5.75 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 9.064e-02 9.064e-02 2.566e-14 -Fe(OH)3 -0.00 4.89 4.89 8.152e-01 8.152e-01 -1.432e-14 -Gypsum 0.00 -4.58 -4.58 4.545e-02 4.545e-02 -2.461e-14 +Calcite 0.00 -8.48 -8.48 9.064e-02 9.064e-02 -2.842e-14 +Fe(OH)3 -0.00 4.89 4.89 8.152e-01 8.152e-01 1.577e-14 +Gypsum 0.00 -4.58 -4.58 4.545e-02 4.545e-02 2.726e-14 MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -4920,7 +4904,7 @@ MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 9907 Density (g/cm³) = 1.00851 Volume (L) = 1.00352 - Viscosity (mPa s) = 0.91452 + Viscosity (mPa s) = 0.91456 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.815e-01 Mass of water (kg) = 9.997e-01 @@ -5076,7 +5060,6 @@ Na 9.541e-03 Na+ 7.916e-03 5.958e-03 -2.101 -2.225 -0.123 -0.96 NaSO4- 1.617e-03 1.219e-03 -2.791 -2.914 -0.123 -1.57 NaHCO3 7.604e-06 8.267e-06 -5.119 -5.083 0.036 31.73 - NaOH 1.223e-19 1.275e-19 -18.913 -18.895 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.965 -64.947 0.018 30.40 S(-2) 2.575e-18 @@ -5199,7 +5182,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 AlOHSO4 0.00 -2.20 -2.20 9.234e-02 9.343e-02 1.093e-03 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 -0.00 4.89 4.89 8.171e-01 8.163e-01 -7.361e-04 +Fe(OH)3 0.00 4.89 4.89 8.171e-01 8.163e-01 -7.361e-04 Gypsum 0.00 -4.58 -4.58 1.558e-01 1.570e-01 1.180e-03 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 @@ -5383,7 +5366,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -5451,8 +5433,8 @@ Zn 3.349e-04 CO2(g) -3.50 -4.97 -1.47 CO2 Dolomite -16.93 -34.02 -17.08 CaMg(CO3)2 Epsomite -2.75 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -67.20 -71.11 -3.92 FeS Gibbsite -1.14 6.97 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -5499,9 +5481,9 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 -AlOHSO4 0.00 -2.20 -2.20 5.107e-02 5.107e-02 6.457e-14 +AlOHSO4 0.00 -2.20 -2.20 5.107e-02 5.107e-02 6.362e-14 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 0.00 4.89 4.89 8.314e-01 8.314e-01 -3.686e-14 +Fe(OH)3 0.00 4.89 4.89 8.314e-01 8.314e-01 -3.642e-14 Gypsum 0.00 -4.58 -4.58 1.331e-01 1.331e-01 3.053e-16 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 @@ -5685,7 +5667,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -5831,7 +5812,7 @@ MnO2 -15.83 25.55 41.38 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 10522 Density (g/cm³) = 1.00882 Volume (L) = 1.00383 - Viscosity (mPa s) = 0.91284 + Viscosity (mPa s) = 0.91285 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.913e-01 Mass of water (kg) = 1.000e+00 @@ -5987,7 +5968,6 @@ Na 9.538e-03 Na+ 7.873e-03 5.905e-03 -2.104 -2.229 -0.125 -0.94 NaSO4- 1.665e-03 1.250e-03 -2.779 -2.903 -0.125 -1.23 NaHCO3 3.750e-09 4.095e-09 -8.426 -8.388 0.038 31.73 - NaOH 1.239e-21 1.294e-21 -20.907 -20.888 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.161 -49.142 0.019 30.40 S(-2) 0.000e+00 @@ -6102,10 +6082,10 @@ Using pure phase assemblage 4. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 1.741e-04 2.856e-04 1.115e-04 +Al(OH)3(a) -0.00 10.80 10.80 1.741e-04 2.856e-04 1.115e-04 AlOHSO4 -3.55 -5.75 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 6.826e-02 6.341e-02 -4.846e-03 -Fe(OH)3 0.00 4.89 4.89 8.191e-01 8.205e-01 1.357e-03 +Fe(OH)3 -0.00 4.89 4.89 8.191e-01 8.205e-01 1.357e-03 Gypsum 0.00 -4.58 -4.58 6.712e-02 7.182e-02 4.702e-03 MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 @@ -6133,14 +6113,14 @@ MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 9907 Density (g/cm³) = 1.00851 Volume (L) = 1.00352 - Viscosity (mPa s) = 0.91452 + Viscosity (mPa s) = 0.91456 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.815e-01 Mass of water (kg) = 9.997e-01 Total alkalinity (eq/kg) = 5.347e-03 Total CO2 (mol/kg) = 4.858e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.648e-13 + Electrical balance (eq) = 5.369e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.109883e+02 @@ -6289,7 +6269,6 @@ Na 9.541e-03 Na+ 7.916e-03 5.958e-03 -2.101 -2.225 -0.123 -0.96 NaSO4- 1.617e-03 1.219e-03 -2.791 -2.914 -0.123 -1.57 NaHCO3 7.604e-06 8.267e-06 -5.119 -5.083 0.036 31.73 - NaOH 1.223e-19 1.275e-19 -18.913 -18.895 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.965 -64.947 0.018 30.40 S(-2) 2.575e-18 @@ -6346,7 +6325,7 @@ Zn 3.349e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.55 -5.75 -2.20 AlOHSO4 Alunite 4.12 2.72 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -6357,8 +6336,8 @@ Zn 3.349e-04 CO2(g) -2.30 -3.77 -1.47 CO2 Dolomite 0.21 -16.87 -17.08 CaMg(CO3)2 Epsomite -2.76 -4.50 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -8.62 -12.54 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -6404,11 +6383,11 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 3.253e-06 3.253e-06 7.094e-16 +Al(OH)3(a) -0.00 10.80 10.80 3.253e-06 3.253e-06 4.174e-16 AlOHSO4 -3.55 -5.75 -2.20 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.48 -8.48 9.064e-02 9.064e-02 -7.810e-14 -Fe(OH)3 0.00 4.89 4.89 8.152e-01 8.152e-01 4.352e-14 -Gypsum 0.00 -4.58 -4.58 4.545e-02 4.545e-02 7.491e-14 +Calcite 0.00 -8.48 -8.48 9.064e-02 9.064e-02 -4.591e-14 +Fe(OH)3 0.00 4.89 4.89 8.152e-01 8.152e-01 2.565e-14 +Gypsum 0.00 -4.58 -4.58 4.545e-02 4.545e-02 4.403e-14 MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -6435,7 +6414,7 @@ MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 9907 Density (g/cm³) = 1.00851 Volume (L) = 1.00352 - Viscosity (mPa s) = 0.91452 + Viscosity (mPa s) = 0.91456 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.815e-01 Mass of water (kg) = 9.997e-01 @@ -6591,7 +6570,6 @@ Na 9.541e-03 Na+ 7.916e-03 5.958e-03 -2.101 -2.225 -0.123 -0.96 NaSO4- 1.617e-03 1.219e-03 -2.791 -2.914 -0.123 -1.57 NaHCO3 7.604e-06 8.267e-06 -5.119 -5.083 0.036 31.73 - NaOH 1.223e-19 1.275e-19 -18.913 -18.895 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.965 -64.947 0.018 30.40 S(-2) 2.575e-18 @@ -6648,7 +6626,7 @@ Zn 3.349e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.55 -5.75 -2.20 AlOHSO4 Alunite 4.12 2.72 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -6714,7 +6692,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 AlOHSO4 0.00 -2.20 -2.20 9.780e-02 9.889e-02 1.093e-03 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 -0.00 4.89 4.89 8.134e-01 8.126e-01 -7.361e-04 +Fe(OH)3 0.00 4.89 4.89 8.134e-01 8.126e-01 -7.361e-04 Gypsum 0.00 -4.58 -4.58 1.617e-01 1.629e-01 1.180e-03 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 @@ -6898,7 +6876,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -6966,8 +6943,8 @@ Zn 3.349e-04 CO2(g) -3.50 -4.97 -1.47 CO2 Dolomite -16.93 -34.02 -17.08 CaMg(CO3)2 Epsomite -2.75 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -67.20 -71.11 -3.92 FeS Gibbsite -1.14 6.97 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -7014,9 +6991,9 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 -AlOHSO4 0.00 -2.20 -2.20 5.107e-02 5.107e-02 6.457e-14 +AlOHSO4 0.00 -2.20 -2.20 5.107e-02 5.107e-02 6.362e-14 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 0.00 4.89 4.89 8.314e-01 8.314e-01 -3.686e-14 +Fe(OH)3 0.00 4.89 4.89 8.314e-01 8.314e-01 -3.642e-14 Gypsum 0.00 -4.58 -4.58 1.331e-01 1.331e-01 3.053e-16 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 @@ -7200,7 +7177,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -7316,10 +7292,10 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.83 6.97 10.80 0.000e+00 0 0.000e+00 -AlOHSO4 0.00 -2.20 -2.20 4.867e-02 4.867e-02 3.862e-14 +AlOHSO4 0.00 -2.20 -2.20 4.867e-02 4.867e-02 4.943e-14 Calcite -8.58 -17.06 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 0.00 4.89 4.89 8.306e-01 8.306e-01 -2.209e-14 -Gypsum 0.00 -4.58 -4.58 1.332e-01 1.332e-01 2.220e-16 +Fe(OH)3 0.00 4.89 4.89 8.306e-01 8.306e-01 -2.820e-14 +Gypsum 0.00 -4.58 -4.58 1.332e-01 1.332e-01 2.776e-16 MnO2 -12.45 28.93 41.38 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -7502,7 +7478,6 @@ Na 9.538e-03 Na+ 7.821e-03 5.837e-03 -2.107 -2.234 -0.127 -0.92 NaSO4- 1.717e-03 1.281e-03 -2.765 -2.892 -0.127 -0.74 NaHCO3 9.880e-11 1.086e-10 -10.005 -9.964 0.041 31.73 - NaOH 2.525e-23 2.648e-23 -22.598 -22.577 0.021 (0) O(0) 4.418e-36 O2 2.209e-36 2.316e-36 -35.656 -35.635 0.021 30.40 S(-2) 0.000e+00 @@ -7617,11 +7592,11 @@ Using pure phase assemblage 4. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 1.241e-02 5.239e-03 -7.169e-03 -AlOHSO4 0.00 -2.20 -2.20 1.658e-02 3.316e-02 1.658e-02 +Al(OH)3(a) 0.00 10.80 10.80 1.241e-02 5.239e-03 -7.169e-03 +AlOHSO4 -0.00 -2.20 -2.20 1.658e-02 3.316e-02 1.658e-02 Calcite -4.92 -13.40 -8.48 0.000e+00 0 0.000e+00 -Fe(OH)3 -0.00 4.89 4.89 8.292e-01 8.306e-01 1.449e-03 -Gypsum 0.00 -4.58 -4.58 1.336e-01 1.334e-01 -1.044e-04 +Fe(OH)3 0.00 4.89 4.89 8.292e-01 8.306e-01 1.449e-03 +Gypsum -0.00 -4.58 -4.58 1.336e-01 1.334e-01 -1.044e-04 MnO2 -16.26 25.12 41.38 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ @@ -7655,7 +7630,7 @@ MnO2 -16.26 25.12 41.38 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = 5.736e-05 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.052e-13 + Electrical balance (eq) = 5.053e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110115e+02 @@ -7804,7 +7779,6 @@ Na 9.538e-03 Na+ 7.879e-03 5.914e-03 -2.104 -2.228 -0.125 -0.95 NaSO4- 1.659e-03 1.246e-03 -2.780 -2.904 -0.124 -1.32 NaHCO3 5.466e-09 5.962e-09 -8.262 -8.225 0.038 31.73 - NaOH 2.062e-21 2.154e-21 -20.686 -20.667 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.911 -50.892 0.019 30.40 S(-2) 0.000e+00 @@ -7861,8 +7835,8 @@ Zn 3.349e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 - AlOHSO4 0.00 -2.20 -2.20 AlOHSO4 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + AlOHSO4 -0.00 -2.20 -2.20 AlOHSO4 Alunite 9.45 8.05 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -5.06 -13.40 -8.34 CaCO3 @@ -7872,12 +7846,12 @@ Zn 3.349e-04 CO2(g) -3.67 -5.14 -1.47 CO2 Dolomite -9.62 -26.71 -17.08 CaMg(CO3)2 Epsomite -2.76 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -36.70 -40.61 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH - Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O + Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -17.64 -20.75 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -41.79 -49.73 -7.94 H2S @@ -7950,14 +7924,14 @@ MnO2 -19.76 21.62 41.38 0.000e+00 0 0.000e+00 Specific Conductance (µS/cm, 25°C) = 9907 Density (g/cm³) = 1.00851 Volume (L) = 1.00352 - Viscosity (mPa s) = 0.91452 + Viscosity (mPa s) = 0.91456 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.815e-01 Mass of water (kg) = 9.997e-01 Total alkalinity (eq/kg) = 5.347e-03 Total CO2 (mol/kg) = 4.858e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.503e-13 + Electrical balance (eq) = 7.520e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.109883e+02 @@ -8106,7 +8080,6 @@ Na 9.541e-03 Na+ 7.916e-03 5.958e-03 -2.101 -2.225 -0.123 -0.96 NaSO4- 1.617e-03 1.219e-03 -2.791 -2.914 -0.123 -1.57 NaHCO3 7.604e-06 8.267e-06 -5.119 -5.083 0.036 31.73 - NaOH 1.223e-19 1.275e-19 -18.913 -18.895 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.965 -64.947 0.018 30.40 S(-2) 2.575e-18 diff --git a/mytest/jgbcol_101.sel b/mytest/jgbcol_101.sel index 97ca97db8..689078f1a 100644 --- a/mytest/jgbcol_101.sel +++ b/mytest/jgbcol_101.sel @@ -1,128 +1,128 @@ Mu SC - 0.208365983949 11289.9870122895 - 0.006051493731 441.9088238081 - 0.136202534124 7887.4441137916 - 0.006464982632 468.3057792837 - 0.006464982632 468.3057792837 - 0.006464982632 468.3057792837 - 0.006464982632 468.3057792837 - 0.144994867828 8198.9088045984 - 0.136202534124 7887.4441137916 - 0.006464982632 468.3057792837 - 0.006464982632 468.3057792837 - 0.006464982632 468.3057792837 - 0.181098634485 9938.3391833612 - 0.136201623925 7887.4100073224 - 0.136202534124 7887.4441137915 - 0.006464982632 468.3057792837 - 0.006464982632 468.3057792837 - 0.188802472697 10348.0562395150 - 0.136202534126 7887.4441137838 - 0.136201623925 7887.4100073240 - 0.136202534124 7887.4441137914 - 0.006464982632 468.3057792837 - 0.188802472697 10348.0562395113 - 0.160321997379 8889.5666333679 - 0.136202534123 7887.4441137480 - 0.136201623925 7887.4100073235 - 0.136202534124 7887.4441137914 - 0.188802472697 10348.0562395109 - 0.181500814435 9907.1750638721 - 0.135896078108 7855.0566282284 - 0.136202534123 7887.4441137393 - 0.136201623925 7887.4100073236 - 0.188802472697 10348.0562395111 - 0.181500814435 9907.1750638753 - 0.135896078107 7855.0566282020 - 0.135896078108 7855.0566282342 - 0.136202534122 7887.4441137367 - 0.198608970563 10861.6939183423 - 0.181500814435 9907.1750638733 - 0.178763957700 9776.7977239263 - 0.135896078107 7855.0566282021 - 0.135896078108 7855.0566282360 - 0.206229419920 11150.3450085065 - 0.178488240736 9795.2495861687 - 0.181500814435 9907.1750638692 - 0.135896078107 7855.0566281983 - 0.135896078107 7855.0566282020 - 0.206229419920 11150.3450085065 - 0.176511190408 9721.7454471163 - 0.178488240738 9795.2495862032 - 0.142618973838 8035.6221428359 - 0.135896078107 7855.0566281971 - 0.206229419920 11150.3450085065 - 0.187716628713 10310.2630097729 - 0.176511190408 9721.7454471166 - 0.178488240739 9795.2495862149 - 0.135896003014 7855.0535560800 - 0.206229419920 11150.3450085065 - 0.188802472697 10348.0562401728 - 0.177393657313 9754.4193414300 - 0.176511190408 9721.7454471146 - 0.135992338504 7869.6746438402 - 0.206229419920 11150.3450085065 - 0.188802472697 10348.0562395085 - 0.181500814420 9907.1750623339 - 0.177393657319 9754.4193415259 - 0.156650327840 8753.4968786110 - 0.206229419920 11150.3450085065 - 0.194086513729 10686.7502689927 - 0.181500814435 9907.1750638689 - 0.181500814420 9907.1750623342 - 0.177393657321 9754.4193415522 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085109 - 0.180211703764 9859.5430757946 - 0.181500814435 9907.1750638651 - 0.181500814420 9907.1750623358 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085109 - 0.176511190408 9721.7454471214 - 0.180211703764 9859.5430757934 - 0.181500814435 9907.1750638587 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.181568536306 9960.3753232933 - 0.176511190408 9721.7454471263 - 0.180211703764 9859.5430757956 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.188802472697 10348.0562395123 - 0.176511190408 9721.7454471123 - 0.176511190408 9721.7454471271 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.188802472697 10348.0562395126 - 0.181500814435 9907.1750638749 - 0.176511190408 9721.7454471123 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.191295547358 10522.5517340188 - 0.181500814435 9907.1750638746 - 0.181500814435 9907.1750638701 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.206229419920 11150.3450085124 - 0.181015972889 9889.3644834413 - 0.181500814435 9907.1750638699 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.206229419920 11150.3450085124 - 0.176511190407 9721.7454471278 - 0.181015972889 9889.3644834354 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.206229419920 11150.3450085124 - 0.180598376965 9909.0732699137 - 0.176511190409 9721.7454471425 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.206229419920 11150.3450085124 - 0.188802472697 10348.0562401957 - 0.176511190409 9721.7454471702 - 0.206229419920 11150.3450085065 - 0.206229419920 11150.3450085110 - 0.206229419920 11150.3450085124 - 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WLB ms APW04 pH = 6.677 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 20715 + Specific Conductance (µS/cm, 25°C) = 20707 Density (g/cm³) = 1.00606 Volume (L) = 1.00679 - Viscosity (mPa s) = 0.91851 + Viscosity (mPa s) = 0.91900 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.228e-01 Mass of water (kg) = 1.000e+00 @@ -166,7 +166,6 @@ Na 1.863e-01 Na+ 1.854e-01 1.377e-01 -0.732 -0.861 -0.129 -0.90 NaHCO3 9.076e-04 1.006e-03 -3.042 -2.998 0.045 31.73 NaF 9.244e-06 9.731e-06 -5.034 -5.012 0.022 7.26 - NaOH 6.247e-19 6.576e-19 -18.204 -18.182 0.022 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.401 -43.379 0.022 30.40 Si 2.700e-04 @@ -251,12 +250,12 @@ X 1.065e+00 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - NaX 7.272e-01 7.272e-01 6.826e-01 0.000 - CaX2 9.158e-02 1.832e-01 1.719e-01 0.000 - KX 7.814e-02 7.814e-02 7.335e-02 0.000 - MgX2 3.077e-02 6.154e-02 5.777e-02 0.000 - SrX2 7.632e-03 1.526e-02 1.433e-02 0.000 - HX 1.140e-05 1.140e-05 1.070e-05 0.000 + NaX 7.272e-01 7.272e-01 6.826e-01 -0.000 + CaX2 9.158e-02 1.832e-01 1.719e-01 -0.000 + KX 7.814e-02 7.814e-02 7.335e-02 -0.000 + MgX2 3.077e-02 6.154e-02 5.777e-02 -0.000 + SrX2 7.632e-03 1.526e-02 1.433e-02 -0.000 + HX 1.140e-05 1.140e-05 1.070e-05 -0.000 -----------------------------Solution composition------------------------------ @@ -276,10 +275,10 @@ X 1.065e+00 mol pH = 6.667 Charge balance pe = 11.487 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20687 + Specific Conductance (µS/cm, 25°C) = 20679 Density (g/cm³) = 1.00602 Volume (L) = 1.00677 - Viscosity (mPa s) = 0.91804 + Viscosity (mPa s) = 0.91851 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.222e-01 Mass of water (kg) = 1.000e+00 @@ -330,8 +329,8 @@ F 1.895e-04 HF 3.530e-08 3.716e-08 -7.452 -7.430 0.022 12.50 HF2- 2.208e-11 1.639e-11 -10.656 -10.785 -0.129 22.48 SiF6-2 7.669e-24 2.201e-24 -23.115 -23.657 -0.542 44.23 -H(0) 6.621e-40 - H2 3.310e-40 3.484e-40 -39.480 -39.458 0.022 28.61 +H(0) 6.619e-40 + H2 3.309e-40 3.483e-40 -39.480 -39.458 0.022 28.61 K 3.191e-03 K+ 3.183e-03 2.240e-03 -2.497 -2.650 -0.153 9.36 KHCO3 7.969e-06 8.007e-06 -5.099 -5.097 0.002 41.03 @@ -345,9 +344,8 @@ Na 1.859e-01 Na+ 1.850e-01 1.374e-01 -0.733 -0.862 -0.129 -0.90 NaHCO3 8.646e-04 9.578e-04 -3.063 -3.019 0.044 31.73 NaF 8.639e-06 9.092e-06 -5.064 -5.041 0.022 7.26 - NaOH 6.090e-19 6.409e-19 -18.215 -18.193 0.022 (0) -O(0) 6.433e-14 - O2 3.217e-14 3.385e-14 -13.493 -13.470 0.022 30.40 +O(0) 6.437e-14 + O2 3.219e-14 3.388e-14 -13.492 -13.470 0.022 30.40 Si 2.700e-04 H4SiO4 2.697e-04 2.839e-04 -3.569 -3.547 0.022 52.08 H3SiO4- 2.734e-07 1.942e-07 -6.563 -6.712 -0.148 28.39 @@ -518,18 +516,18 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 5.935 Charge balance - pe = -1.109 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 22162 + pe = -1.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 21935 Density (g/cm³) = 1.00866 Volume (L) = 0.10115 - Viscosity (mPa s) = 0.94266 + Viscosity (mPa s) = 0.95667 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.567e-01 Mass of water (kg) = 1.001e-01 Total alkalinity (eq/kg) = 4.629e-02 Total CO2 (mol/kg) = 1.228e-01 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.127e-11 + Electrical balance (eq) = 5.507e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 17 Total H = 1.112120e+01 @@ -543,8 +541,8 @@ X 1.065e+00 mol H+ 1.473e-06 1.161e-06 -5.832 -5.935 -0.103 0.00 OH- 1.258e-08 8.638e-09 -7.900 -8.064 -0.163 -3.38 H2O 5.551e+01 9.907e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.593e-16 - CH4 4.593e-16 4.873e-16 -15.338 -15.312 0.026 35.46 +C(-4) 4.655e-16 + CH4 4.655e-16 4.938e-16 -15.332 -15.306 0.026 35.46 C(4) 1.228e-01 CO2 7.629e-02 7.933e-02 -1.118 -1.101 0.017 34.43 HCO3- 4.120e-02 3.011e-02 -1.385 -1.521 -0.136 25.25 @@ -572,8 +570,8 @@ F 1.651e-04 NaF 7.852e-06 8.330e-06 -5.105 -5.079 0.026 7.26 HF 1.577e-07 1.673e-07 -6.802 -6.777 0.026 12.50 HF2- 8.364e-11 6.169e-11 -10.078 -10.210 -0.132 22.51 -H(0) 2.971e-13 - H2 1.485e-13 1.576e-13 -12.828 -12.803 0.026 28.61 +H(0) 2.981e-13 + H2 1.490e-13 1.581e-13 -12.827 -12.801 0.026 28.61 K 3.666e-03 K+ 3.632e-03 2.516e-03 -2.440 -2.599 -0.159 9.39 KHCO3 3.366e-05 3.385e-05 -4.473 -4.470 0.002 41.03 @@ -587,9 +585,8 @@ Na 2.081e-01 Na+ 2.046e-01 1.506e-01 -0.689 -0.822 -0.133 -0.86 NaHCO3 3.510e-03 3.951e-03 -2.455 -2.403 0.051 31.73 NaF 7.852e-06 8.330e-06 -5.105 -5.079 0.026 7.26 - NaOH 1.227e-19 1.301e-19 -18.911 -18.886 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.809 -66.783 0.026 30.40 + O2 0.000e+00 0.000e+00 -66.812 -66.786 0.026 30.40 Sr 8.529e-04 Sr+2 7.164e-04 2.163e-04 -3.145 -3.665 -0.520 -16.87 SrHCO3+ 1.363e-04 9.964e-05 -3.865 -4.002 -0.136 (0) @@ -602,14 +599,14 @@ Sr 8.529e-04 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -12.51 -15.31 -2.80 CH4 + CH4(g) -12.50 -15.31 -2.80 CH4 CO2(g) 0.37 -1.10 -1.47 CO2 Dolomite -0.03 -17.11 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 H2(g) -9.70 -12.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.25 -1.68 1.57 NaCl - O2(g) -63.89 -66.78 -2.89 O2 + O2(g) -63.89 -66.79 -2.89 O2 Strontianite -0.31 -9.58 -9.27 SrCO3 Sylvite -4.36 -3.46 0.90 KCl @@ -658,12 +655,12 @@ X 1.065e+00 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - NaX 7.251e-01 7.251e-01 6.806e-01 -0.000 - CaX2 9.272e-02 1.854e-01 1.741e-01 -0.000 - KX 7.811e-02 7.811e-02 7.332e-02 -0.000 - MgX2 3.070e-02 6.140e-02 5.764e-02 -0.000 - SrX2 7.623e-03 1.525e-02 1.431e-02 -0.000 - HX 5.073e-05 5.073e-05 4.762e-05 -0.000 + NaX 7.251e-01 7.251e-01 6.806e-01 0.000 + CaX2 9.272e-02 1.854e-01 1.741e-01 0.000 + KX 7.811e-02 7.811e-02 7.332e-02 0.000 + MgX2 3.070e-02 6.140e-02 5.764e-02 0.000 + SrX2 7.623e-03 1.525e-02 1.431e-02 0.000 + HX 5.073e-05 5.073e-05 4.762e-05 0.000 -----------------------------Solution composition------------------------------ @@ -681,11 +678,11 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 5.969 Charge balance - pe = -1.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 22270 + pe = -1.150 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 22046 Density (g/cm³) = 1.00875 Volume (L) = 0.01011 - Viscosity (mPa s) = 0.94368 + Viscosity (mPa s) = 0.95752 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.575e-01 Mass of water (kg) = 1.001e-02 @@ -706,8 +703,8 @@ X 1.065e+00 mol H+ 1.362e-06 1.073e-06 -5.866 -5.969 -0.104 0.00 OH- 1.361e-08 9.343e-09 -7.866 -8.029 -0.163 -3.38 H2O 5.551e+01 9.907e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.963e-16 - CH4 5.963e-16 6.327e-16 -15.225 -15.199 0.026 35.46 +C(-4) 5.045e-16 + CH4 5.045e-16 5.353e-16 -15.297 -15.271 0.026 35.46 C(4) 1.221e-01 CO2 7.356e-02 7.649e-02 -1.133 -1.116 0.017 34.43 HCO3- 4.298e-02 3.141e-02 -1.367 -1.503 -0.136 25.25 @@ -735,8 +732,8 @@ F 1.756e-04 NaF 8.491e-06 9.010e-06 -5.071 -5.045 0.026 7.26 HF 1.548e-07 1.643e-07 -6.810 -6.784 0.026 12.50 HF2- 8.725e-11 6.434e-11 -10.059 -10.192 -0.132 22.51 -H(0) 3.199e-13 - H2 1.600e-13 1.697e-13 -12.796 -12.770 0.026 28.61 +H(0) 3.068e-13 + H2 1.534e-13 1.628e-13 -12.814 -12.788 0.026 28.61 K 3.655e-03 K+ 3.620e-03 2.507e-03 -2.441 -2.601 -0.160 9.39 KHCO3 3.497e-05 3.517e-05 -4.456 -4.454 0.002 41.03 @@ -750,9 +747,8 @@ Na 2.121e-01 Na+ 2.083e-01 1.534e-01 -0.681 -0.814 -0.133 -0.86 NaHCO3 3.727e-03 4.196e-03 -2.429 -2.377 0.052 31.73 NaF 8.491e-06 9.010e-06 -5.071 -5.045 0.026 7.26 - NaOH 1.351e-19 1.433e-19 -18.869 -18.844 0.026 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.873 -66.848 0.026 30.40 + O2 0.000e+00 0.000e+00 -66.837 -66.811 0.026 30.40 Sr 8.544e-04 Sr+2 7.128e-04 2.150e-04 -3.147 -3.667 -0.520 -16.87 SrHCO3+ 1.414e-04 1.033e-04 -3.850 -3.986 -0.136 (0) @@ -765,14 +761,14 @@ Sr 8.544e-04 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -12.40 -15.20 -2.80 CH4 + CH4(g) -12.47 -15.27 -2.80 CH4 CO2(g) 0.35 -1.12 -1.47 CO2 Dolomite 0.03 -17.06 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 - H2(g) -9.67 -12.77 -3.10 H2 + H2(g) -9.69 -12.79 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -63.96 -66.85 -2.89 O2 + O2(g) -63.92 -66.81 -2.89 O2 Strontianite -0.26 -9.53 -9.27 SrCO3 Sylvite -4.36 -3.46 0.90 KCl @@ -844,18 +840,18 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 6.020 Charge balance - pe = -1.259 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 22114 + pe = -1.241 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 21932 Density (g/cm³) = 1.00840 Volume (L) = 0.00101 - Viscosity (mPa s) = 0.94121 + Viscosity (mPa s) = 0.95240 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.537e-01 Mass of water (kg) = 1.001e-03 Total alkalinity (eq/kg) = 4.445e-02 Total CO2 (mol/kg) = 1.050e-01 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.898e-14 + Electrical balance (eq) = 6.599e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 19 Total H = 1.111781e-01 @@ -869,8 +865,8 @@ X 1.065e+00 mol H+ 1.211e-06 9.552e-07 -5.917 -6.020 -0.103 0.00 OH- 1.527e-08 1.050e-08 -7.816 -7.979 -0.163 -3.39 H2O 5.551e+01 9.910e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.208e-15 - CH4 1.208e-15 1.281e-15 -14.918 -14.893 0.025 35.46 +C(-4) 8.704e-16 + CH4 8.704e-16 9.228e-16 -15.060 -15.035 0.025 35.46 C(4) 1.050e-01 CO2 6.041e-02 6.278e-02 -1.219 -1.202 0.017 34.43 HCO3- 3.959e-02 2.897e-02 -1.402 -1.538 -0.136 25.24 @@ -898,8 +894,8 @@ F 1.780e-04 NaF 8.569e-06 9.085e-06 -5.067 -5.042 0.025 7.26 HF 1.404e-07 1.489e-07 -6.853 -6.827 0.025 12.50 HF2- 8.043e-11 5.935e-11 -10.095 -10.227 -0.132 22.51 -H(0) 4.014e-13 - H2 2.007e-13 2.127e-13 -12.698 -12.672 0.025 28.61 +H(0) 3.698e-13 + H2 1.849e-13 1.960e-13 -12.733 -12.708 0.025 28.61 K 3.604e-03 K+ 3.572e-03 2.477e-03 -2.447 -2.606 -0.159 9.39 KHCO3 3.188e-05 3.206e-05 -4.496 -4.494 0.002 41.03 @@ -913,9 +909,8 @@ Na 2.096e-01 Na+ 2.062e-01 1.519e-01 -0.686 -0.818 -0.133 -0.86 NaHCO3 3.411e-03 3.834e-03 -2.467 -2.416 0.051 31.73 NaF 8.569e-06 9.085e-06 -5.067 -5.042 0.025 7.26 - NaOH 1.505e-19 1.596e-19 -18.822 -18.797 0.025 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.069 -67.044 0.025 30.40 + O2 0.000e+00 0.000e+00 -66.998 -66.972 0.025 30.40 Sr 8.210e-04 Sr+2 6.936e-04 2.101e-04 -3.159 -3.678 -0.519 -16.87 SrHCO3+ 1.272e-04 9.309e-05 -3.895 -4.031 -0.136 (0) @@ -928,14 +923,14 @@ Sr 8.210e-04 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -12.09 -14.89 -2.80 CH4 + CH4(g) -12.23 -15.03 -2.80 CH4 CO2(g) 0.27 -1.20 -1.47 CO2 Dolomite 0.03 -17.05 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 - H2(g) -9.57 -12.67 -3.10 H2 + H2(g) -9.61 -12.71 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.24 -1.67 1.57 NaCl - O2(g) -64.15 -67.04 -2.89 O2 + O2(g) -64.08 -66.97 -2.89 O2 Strontianite -0.25 -9.52 -9.27 SrCO3 Sylvite -4.36 -3.46 0.90 KCl @@ -1007,18 +1002,18 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 6.304 Charge balance - pe = -1.886 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 21302 + pe = -1.735 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 21254 Density (g/cm³) = 1.00693 Volume (L) = 0.00010 - Viscosity (mPa s) = 0.92837 + Viscosity (mPa s) = 0.93126 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.355e-01 Mass of water (kg) = 1.000e-04 Total alkalinity (eq/kg) = 2.561e-02 Total CO2 (mol/kg) = 4.397e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-14 + Electrical balance (eq) = 1.112e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110748e-02 @@ -1032,8 +1027,8 @@ X 1.065e+00 mol H+ 6.283e-07 4.972e-07 -6.202 -6.304 -0.102 0.00 OH- 2.912e-08 2.020e-08 -7.536 -7.695 -0.159 -3.42 H2O 5.551e+01 9.923e-01 1.744 -0.003 0.000 18.07 -C(-4) 2.065e-13 - CH4 2.065e-13 2.180e-13 -12.685 -12.662 0.024 35.46 +C(-4) 1.267e-14 + CH4 1.267e-14 1.338e-14 -13.897 -13.874 0.024 35.46 C(4) 4.397e-02 HCO3- 2.295e-02 1.689e-02 -1.639 -1.772 -0.133 25.21 CO2 1.836e-02 1.903e-02 -1.736 -1.721 0.016 34.43 @@ -1061,8 +1056,8 @@ F 1.843e-04 NaF 8.612e-06 9.092e-06 -5.065 -5.041 0.024 7.26 HF 7.768e-08 8.201e-08 -7.110 -7.086 0.024 12.50 HF2- 4.675e-11 3.461e-11 -10.330 -10.461 -0.131 22.49 -H(0) 1.963e-12 - H2 9.816e-13 1.036e-12 -12.008 -11.985 0.024 28.61 +H(0) 9.772e-13 + H2 4.886e-13 5.158e-13 -12.311 -12.288 0.024 28.61 K 3.366e-03 K+ 3.349e-03 2.342e-03 -2.475 -2.630 -0.155 9.37 KHCO3 1.758e-05 1.767e-05 -4.755 -4.753 0.002 41.03 @@ -1076,9 +1071,8 @@ Na 1.960e-01 Na+ 1.941e-01 1.436e-01 -0.712 -0.843 -0.131 -0.89 NaHCO3 1.897e-03 2.114e-03 -2.722 -2.675 0.047 31.73 NaF 8.612e-06 9.092e-06 -5.065 -5.041 0.024 7.26 - NaOH 2.749e-19 2.902e-19 -18.561 -18.537 0.024 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.441 -68.418 0.024 30.40 + O2 0.000e+00 0.000e+00 -67.835 -67.812 0.024 30.40 Sr 6.734e-04 Sr+2 6.073e-04 1.877e-04 -3.217 -3.727 -0.510 -16.90 SrHCO3+ 6.589e-05 4.850e-05 -4.181 -4.314 -0.133 (0) @@ -1091,14 +1085,14 @@ Sr 6.734e-04 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -9.86 -12.66 -2.80 CH4 + CH4(g) -11.07 -13.87 -2.80 CH4 CO2(g) -0.25 -1.72 -1.47 CO2 Dolomite 0.03 -17.05 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 - H2(g) -8.88 -11.98 -3.10 H2 + H2(g) -9.19 -12.29 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.26 -1.69 1.57 NaCl - O2(g) -65.53 -68.42 -2.89 O2 + O2(g) -64.92 -67.81 -2.89 O2 Strontianite -0.25 -9.52 -9.27 SrCO3 Sylvite -4.38 -3.48 0.90 KCl @@ -1124,6 +1118,12 @@ Beginning of batch-reaction calculations. Reaction step 1. +WARNING: Maximum iterations exceeded, 100 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying smaller step size, pe step size 10, 5 ... + Using mix 1. Using exchange 2. Exchange assemblage after simulation 1. Using pure phase assemblage 2. @@ -1170,20 +1170,20 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 6.602 Charge balance - pe = -2.377 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20768 + pe = -2.432 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 20757 Density (g/cm³) = 1.00613 Volume (L) = 0.00001 - Viscosity (mPa s) = 0.91946 + Viscosity (mPa s) = 0.92011 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.240e-01 Mass of water (kg) = 1.000e-05 Total alkalinity (eq/kg) = 1.381e-02 Total CO2 (mol/kg) = 1.883e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.014e-16 + Electrical balance (eq) = 1.122e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 + Iterations = 34 (135 overall) Total H = 1.110363e-03 Total O = 5.556272e-04 @@ -1195,8 +1195,8 @@ X 1.065e+00 mol H+ 3.155e-07 2.503e-07 -6.501 -6.602 -0.101 0.00 OH- 5.755e-08 4.015e-08 -7.240 -7.396 -0.156 -3.45 H2O 5.551e+01 9.929e-01 1.744 -0.003 0.000 18.07 -C(-4) 1.977e-12 - CH4 1.977e-12 2.082e-12 -11.704 -11.682 0.022 35.46 +C(-4) 5.394e-12 + CH4 5.394e-12 5.680e-12 -11.268 -11.246 0.022 35.46 C(4) 1.883e-02 HCO3- 1.242e-02 9.182e-03 -1.906 -2.037 -0.131 25.19 CO2 5.030e-03 5.204e-03 -2.298 -2.284 0.015 34.43 @@ -1224,8 +1224,8 @@ F 1.888e-04 NaF 8.635e-06 9.092e-06 -5.064 -5.041 0.022 7.26 HF 4.074e-08 4.290e-08 -7.390 -7.368 0.022 12.50 HF2- 2.535e-11 1.881e-11 -10.596 -10.726 -0.130 22.48 -H(0) 4.787e-12 - H2 2.393e-12 2.520e-12 -11.621 -11.599 0.022 28.61 +H(0) 6.152e-12 + H2 3.076e-12 3.239e-12 -11.512 -11.490 0.022 28.61 K 3.215e-03 K+ 3.205e-03 2.254e-03 -2.494 -2.647 -0.153 9.36 KHCO3 9.199e-06 9.244e-06 -5.036 -5.034 0.002 41.03 @@ -1239,9 +1239,8 @@ Na 1.872e-01 Na+ 1.862e-01 1.383e-01 -0.730 -0.859 -0.129 -0.90 NaHCO3 9.974e-04 1.106e-03 -3.001 -2.956 0.045 31.73 NaF 8.635e-06 9.092e-06 -5.064 -5.041 0.022 7.26 - NaOH 5.272e-19 5.551e-19 -18.278 -18.256 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.211 -69.189 0.022 30.40 + O2 0.000e+00 0.000e+00 -69.429 -69.407 0.022 30.40 Sr 5.882e-04 Sr+2 5.549e-04 1.739e-04 -3.256 -3.760 -0.504 -16.91 SrHCO3+ 3.303e-05 2.442e-05 -4.481 -4.612 -0.131 (0) @@ -1254,14 +1253,14 @@ Sr 5.882e-04 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -8.88 -11.68 -2.80 CH4 + CH4(g) -8.44 -11.25 -2.80 CH4 CO2(g) -0.82 -2.28 -1.47 CO2 Dolomite 0.03 -17.05 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 - H2(g) -8.50 -11.60 -3.10 H2 + H2(g) -8.39 -11.49 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.28 -1.71 1.57 NaCl - O2(g) -66.30 -69.19 -2.89 O2 + O2(g) -66.51 -69.41 -2.89 O2 Strontianite -0.25 -9.52 -9.27 SrCO3 Sylvite -4.40 -3.50 0.90 KCl @@ -1339,11 +1338,11 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 6.660 Charge balance - pe = -2.569 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20695 + pe = -2.581 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 20686 Density (g/cm³) = 1.00602 Volume (L) = 0.00000 - Viscosity (mPa s) = 0.91818 + Viscosity (mPa s) = 0.91868 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.224e-01 Mass of water (kg) = 1.000e-06 @@ -1352,7 +1351,7 @@ X 1.065e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = 1.127e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 192 (293 overall) + Iterations = 171 (272 overall) Total H = 1.110324e-04 Total O = 5.555450e-05 @@ -1364,8 +1363,8 @@ X 1.065e+00 mol H+ 2.760e-07 2.190e-07 -6.559 -6.660 -0.100 0.00 OH- 6.571e-08 4.588e-08 -7.182 -7.338 -0.156 -3.45 H2O 5.551e+01 9.929e-01 1.744 -0.003 0.000 18.07 -C(-4) 1.803e-11 - CH4 1.803e-11 1.898e-11 -10.744 -10.722 0.022 35.46 +C(-4) 2.248e-11 + CH4 2.248e-11 2.366e-11 -10.648 -10.626 0.022 35.46 C(4) 1.609e-02 HCO3- 1.098e-02 8.123e-03 -1.959 -2.090 -0.131 25.18 CO2 3.895e-03 4.029e-03 -2.410 -2.395 0.015 34.43 @@ -1393,8 +1392,8 @@ F 1.894e-04 NaF 8.638e-06 9.092e-06 -5.064 -5.041 0.022 7.26 HF 3.586e-08 3.774e-08 -7.445 -7.423 0.022 12.50 HF2- 2.242e-11 1.664e-11 -10.649 -10.779 -0.129 22.48 -H(0) 8.871e-12 - H2 4.436e-12 4.669e-12 -11.353 -11.331 0.022 28.61 +H(0) 9.374e-12 + H2 4.687e-12 4.933e-12 -11.329 -11.307 0.022 28.61 K 3.194e-03 K+ 3.186e-03 2.242e-03 -2.497 -2.649 -0.153 9.36 KHCO3 8.095e-06 8.134e-06 -5.092 -5.090 0.002 41.03 @@ -1408,9 +1407,8 @@ Na 1.860e-01 Na+ 1.851e-01 1.375e-01 -0.733 -0.862 -0.129 -0.90 NaHCO3 8.782e-04 9.729e-04 -3.056 -3.012 0.044 31.73 NaF 8.638e-06 9.092e-06 -5.064 -5.041 0.022 7.26 - NaOH 5.995e-19 6.310e-19 -18.222 -18.200 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.747 -69.725 0.022 30.40 + O2 0.000e+00 0.000e+00 -69.795 -69.772 0.022 30.40 Sr 5.770e-04 Sr+2 5.479e-04 1.720e-04 -3.261 -3.765 -0.503 -16.91 SrHCO3+ 2.889e-05 2.137e-05 -4.539 -4.670 -0.131 (0) @@ -1423,14 +1421,14 @@ Sr 5.770e-04 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.82 -10.63 -2.80 CH4 CO2(g) -0.93 -2.39 -1.47 CO2 Dolomite 0.03 -17.05 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 - H2(g) -8.23 -11.33 -3.10 H2 + H2(g) -8.21 -11.31 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.28 -1.71 1.57 NaCl - O2(g) -66.83 -69.72 -2.89 O2 + O2(g) -66.88 -69.77 -2.89 O2 Strontianite -0.25 -9.52 -9.27 SrCO3 Sylvite -4.40 -3.50 0.90 KCl @@ -1462,12 +1460,6 @@ WARNING: Numerical method failed with this set of convergence parameters. WARNING: Trying smaller step size, pe step size 10, 5 ... -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using mix 1. Using exchange 2. Exchange assemblage after simulation 1. Using pure phase assemblage 2. @@ -1481,7 +1473,7 @@ Mixture 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite -0.00 -8.48 -8.48 1.000e-01 1.000e-01 -1.482e-09 +Calcite 0.00 -8.48 -8.48 1.000e-01 1.000e-01 -1.482e-09 Fluorite 0.00 -10.60 -10.60 1.000e-01 1.000e-01 4.052e-11 -----------------------------Exchange composition------------------------------ @@ -1514,11 +1506,11 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 6.666 Charge balance - pe = -2.741 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20687 + pe = -2.661 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 20679 Density (g/cm³) = 1.00601 Volume (L) = 0.00000 - Viscosity (mPa s) = 0.91805 + Viscosity (mPa s) = 0.91853 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.222e-01 Mass of water (kg) = 1.000e-07 @@ -1527,7 +1519,7 @@ X 1.065e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = 1.127e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 35 (337 overall) + Iterations = 25 (126 overall) Total H = 1.110320e-05 Total O = 5.555368e-06 @@ -1539,8 +1531,8 @@ X 1.065e+00 mol H+ 2.720e-07 2.158e-07 -6.565 -6.666 -0.100 0.00 OH- 6.667e-08 4.656e-08 -7.176 -7.332 -0.156 -3.45 H2O 5.551e+01 9.929e-01 1.744 -0.003 0.000 18.07 -C(-4) 3.676e-10 - CH4 3.676e-10 3.869e-10 -9.435 -9.412 0.022 35.46 +C(-4) 8.489e-11 + CH4 8.489e-11 8.934e-11 -10.071 -10.049 0.022 35.46 C(4) 1.582e-02 HCO3- 1.083e-02 8.014e-03 -1.965 -2.096 -0.131 25.18 CO2 3.787e-03 3.917e-03 -2.422 -2.407 0.015 34.43 @@ -1568,8 +1560,8 @@ F 1.895e-04 NaF 8.639e-06 9.092e-06 -5.064 -5.041 0.022 7.26 HF 3.536e-08 3.722e-08 -7.451 -7.429 0.022 12.50 HF2- 2.211e-11 1.642e-11 -10.655 -10.785 -0.129 22.48 -H(0) 1.898e-11 - H2 9.492e-12 9.990e-12 -11.023 -11.000 0.022 28.61 +H(0) 1.316e-11 + H2 6.580e-12 6.925e-12 -11.182 -11.160 0.022 28.61 K 3.192e-03 K+ 3.184e-03 2.240e-03 -2.497 -2.650 -0.153 9.36 KHCO3 7.981e-06 8.020e-06 -5.098 -5.096 0.002 41.03 @@ -1583,9 +1575,8 @@ Na 1.859e-01 Na+ 1.850e-01 1.374e-01 -0.733 -0.862 -0.129 -0.90 NaHCO3 8.660e-04 9.593e-04 -3.062 -3.018 0.044 31.73 NaF 8.639e-06 9.092e-06 -5.064 -5.041 0.022 7.26 - NaOH 6.080e-19 6.399e-19 -18.216 -18.194 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.408 -70.385 0.022 30.40 + O2 0.000e+00 0.000e+00 -70.089 -70.067 0.022 30.40 Sr 5.758e-04 Sr+2 5.472e-04 1.718e-04 -3.262 -3.765 -0.503 -16.91 SrHCO3+ 2.847e-05 2.106e-05 -4.546 -4.677 -0.131 (0) @@ -1597,15 +1588,15 @@ Sr 5.758e-04 Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.14 -8.48 -8.34 CaCO3 - Calcite -0.00 -8.48 -8.48 CaCO3 - CH4(g) -6.61 -9.41 -2.80 CH4 + Calcite 0.00 -8.48 -8.48 CaCO3 + CH4(g) -7.25 -10.05 -2.80 CH4 CO2(g) -0.94 -2.41 -1.47 CO2 Dolomite 0.03 -17.05 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -8.06 -11.16 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.28 -1.71 1.57 NaCl - O2(g) -67.49 -70.39 -2.89 O2 + O2(g) -67.17 -70.07 -2.89 O2 Strontianite -0.25 -9.52 -9.27 SrCO3 Sylvite -4.40 -3.50 0.90 KCl @@ -1631,6 +1622,18 @@ Beginning of batch-reaction calculations. Reaction step 1. +WARNING: Maximum iterations exceeded, 100 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying smaller step size, pe step size 10, 5 ... + +WARNING: Maximum iterations exceeded, 200 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying reduced tolerance 1e-16 ... + Using mix 1. Using exchange 2. Exchange assemblage after simulation 1. Using pure phase assemblage 2. @@ -1677,11 +1680,11 @@ X 1.065e+00 mol ----------------------------Description of solution---------------------------- pH = 6.667 Charge balance - pe = -2.846 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20686 + pe = -2.795 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 20678 Density (g/cm³) = 1.00601 Volume (L) = 0.00000 - Viscosity (mPa s) = 0.91804 + Viscosity (mPa s) = 0.91851 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.222e-01 Mass of water (kg) = 1.000e-08 @@ -1690,7 +1693,7 @@ X 1.065e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = 1.127e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 30 + Iterations = 60 (362 overall) Total H = 1.110320e-06 Total O = 5.555359e-07 @@ -1702,8 +1705,8 @@ X 1.065e+00 mol H+ 2.716e-07 2.155e-07 -6.566 -6.667 -0.100 0.00 OH- 6.677e-08 4.663e-08 -7.175 -7.331 -0.156 -3.45 H2O 5.551e+01 9.929e-01 1.744 -0.003 0.000 18.07 -C(-4) 2.511e-09 - CH4 2.511e-09 2.643e-09 -8.600 -8.578 0.022 35.46 +C(-4) 9.859e-10 + CH4 9.859e-10 1.038e-09 -9.006 -8.984 0.022 35.46 C(4) 1.579e-02 HCO3- 1.082e-02 8.003e-03 -1.966 -2.097 -0.131 25.18 CO2 3.776e-03 3.906e-03 -2.423 -2.408 0.015 34.43 @@ -1731,8 +1734,8 @@ F 1.895e-04 NaF 8.639e-06 9.092e-06 -5.064 -5.041 0.022 7.26 HF 3.531e-08 3.716e-08 -7.452 -7.430 0.022 12.50 HF2- 2.208e-11 1.639e-11 -10.656 -10.785 -0.129 22.48 -H(0) 3.071e-11 - H2 1.536e-11 1.616e-11 -10.814 -10.792 0.022 28.61 +H(0) 2.431e-11 + H2 1.216e-11 1.279e-11 -10.915 -10.893 0.022 28.61 K 3.191e-03 K+ 3.183e-03 2.240e-03 -2.497 -2.650 -0.153 9.36 KHCO3 7.970e-06 8.008e-06 -5.099 -5.096 0.002 41.03 @@ -1746,9 +1749,8 @@ Na 1.859e-01 Na+ 1.850e-01 1.374e-01 -0.733 -0.862 -0.129 -0.90 NaHCO3 8.647e-04 9.579e-04 -3.063 -3.019 0.044 31.73 NaF 8.639e-06 9.092e-06 -5.064 -5.041 0.022 7.26 - NaOH 6.089e-19 6.408e-19 -18.215 -18.193 0.022 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.825 -70.803 0.022 30.40 + O2 0.000e+00 0.000e+00 -70.622 -70.600 0.022 30.40 Sr 5.757e-04 Sr+2 5.471e-04 1.718e-04 -3.262 -3.765 -0.503 -16.91 SrHCO3+ 2.843e-05 2.103e-05 -4.546 -4.677 -0.131 (0) @@ -1761,14 +1763,14 @@ Sr 5.757e-04 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -5.78 -8.58 -2.80 CH4 + CH4(g) -6.18 -8.98 -2.80 CH4 CO2(g) -0.94 -2.41 -1.47 CO2 Dolomite 0.03 -17.05 -17.08 CaMg(CO3)2 Fluorite 0.00 -10.60 -10.60 CaF2 - H2(g) -7.69 -10.79 -3.10 H2 + H2(g) -7.79 -10.89 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O Halite -3.28 -1.71 1.57 NaCl - O2(g) -67.91 -70.80 -2.89 O2 + O2(g) -67.71 -70.60 -2.89 O2 Strontianite -0.25 -9.52 -9.27 SrCO3 Sylvite -4.40 -3.50 0.90 KCl diff --git a/mytest/joe_101.sel b/mytest/joe_101.sel index 8910fe09c..4107f6bb0 100644 --- a/mytest/joe_101.sel +++ b/mytest/joe_101.sel @@ -1,13 +1,13 @@ Mu SC - 0.222839770900 20715.4358471875 - 0.222839770902 20715.4358473990 - 0.222231064923 20687.1429337632 + 0.222839770900 20707.3218752682 + 0.222839770902 20707.3218754793 + 0.222231064923 20679.3136264336 0.193860654434 75888.1917417902 - 0.256742563182 22162.8114472748 - 0.257547814029 22270.5256732372 - 0.253736598615 22114.3351241503 - 0.235506782666 21302.2154368165 - 0.223974381196 20768.7988901205 - 0.222397840542 20695.0500504737 - 0.222235542806 20687.4486057928 - 0.222219266704 20686.6861941401 + 0.256742563116 21935.5923910873 + 0.257547814029 22046.6145416253 + 0.253736598624 21932.8826110724 + 0.235506782668 21254.8033350152 + 0.223974381196 20757.9880447878 + 0.222397840541 20686.9413840729 + 0.222235542809 20679.5916024277 + 0.222219266725 20678.8541662504 diff --git a/mytest/kin_r.out b/mytest/kin_r.out index 7ca9be6be..df3b7934e 100644 --- a/mytest/kin_r.out +++ b/mytest/kin_r.out @@ -147,7 +147,6 @@ Mg 1.000e-08 MgOH+ 4.834e-13 4.832e-13 -12.316 -12.316 -0.000 (0) Na 1.000e-08 Na+ 1.000e-08 9.995e-09 -8.000 -8.000 -0.000 -1.52 - NaOH 1.349e-25 1.349e-25 -24.870 -24.870 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.580 -41.580 0.000 30.40 @@ -249,7 +248,7 @@ Using pure phase assemblage 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 0.000e+00 7.865e-05 7.865e-05 +Kaolinite 0.00 7.44 7.43 0.000e+00 7.865e-05 7.865e-05 Montmorillonite(MgCa) -0.60 3.62 4.22 1.000e-02 9.786e-03 -2.142e-04 Montmorillonite(MgK) -0.60 2.23 2.83 1.000e-02 9.999e-03 -1.410e-06 Montmorillonite(MgMg) -0.60 3.11 3.71 1.000e-02 1.019e-02 1.917e-04 @@ -273,7 +272,7 @@ Montmorillonite(MgNa) -0.60 2.81 3.41 1.000e-02 9.928e-03 -7.21 Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.89011 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.343e-04 Mass of water (kg) = 1.000e+00 @@ -311,7 +310,6 @@ Mg 3.481e-08 MgOH+ 3.379e-10 3.335e-10 -9.471 -9.477 -0.006 (0) Na 2.452e-05 Na+ 2.452e-05 2.419e-05 -4.611 -4.616 -0.006 -1.51 - NaOH 6.880e-20 6.880e-20 -19.162 -19.162 0.000 (0) O(0) 2.531e-14 O2 1.265e-14 1.265e-14 -13.898 -13.898 0.000 30.40 Si 2.266e-04 @@ -336,7 +334,7 @@ Si 2.266e-04 Illite -3.14 -43.41 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.85 -23.42 -20.57 KAlSi3O8 K-mica 1.57 14.28 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -0.60 3.62 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.60 2.23 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.60 3.11 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 @@ -518,9 +516,8 @@ Mg 1.993e-13 MgOH+ 9.605e-18 9.601e-18 -17.018 -17.018 -0.000 (0) Na 5.970e-08 Na+ 5.970e-08 5.967e-08 -7.224 -7.224 -0.000 -1.52 - NaOH 8.029e-25 8.029e-25 -24.095 -24.095 0.000 (0) -O(0) 4.335e-15 - O2 2.168e-15 2.168e-15 -14.664 -14.664 0.000 30.40 +O(0) 4.334e-15 + O2 2.167e-15 2.167e-15 -14.664 -14.664 0.000 30.40 Si 5.054e-09 H4SiO4 5.044e-09 5.044e-09 -8.297 -8.297 0.000 52.08 H3SiO4- 9.891e-12 9.887e-12 -11.005 -11.005 -0.000 27.94 @@ -587,10 +584,10 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 - Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 - K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 - Na0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + Mg0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 + Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 + K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 + Na0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 -----------------------------Solution composition------------------------------ @@ -639,7 +636,7 @@ Al 9.081e-09 Ca 2.406e-10 Ca+2 2.406e-10 2.402e-10 -9.619 -9.619 -0.001 -18.25 CaOH+ 5.246e-16 5.244e-16 -15.280 -15.280 -0.000 (0) -H(0) 4.515e-15 +H(0) 4.514e-15 H2 2.257e-15 2.257e-15 -14.646 -14.646 0.000 28.61 K 1.248e-09 K+ 1.248e-09 1.248e-09 -8.904 -8.904 -0.000 8.98 @@ -648,7 +645,6 @@ Mg 2.279e-13 MgOH+ 1.087e-17 1.087e-17 -16.964 -16.964 -0.000 (0) Na 6.385e-08 Na+ 6.385e-08 6.382e-08 -7.195 -7.195 -0.000 -1.52 - NaOH 8.498e-25 8.498e-25 -24.071 -24.071 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.087 -63.087 0.000 30.40 Si 2.188e-08 @@ -717,10 +713,10 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 - Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 - K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 - Na0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 + Mg0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + Na0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -736,7 +732,7 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 7.076 Charge balance - pe = -1.543 Adjusted to redox equilibrium + pe = -1.346 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -769,8 +765,8 @@ Al 7.834e-08 Ca 6.483e-10 Ca+2 6.483e-10 6.469e-10 -9.188 -9.189 -0.001 -18.25 CaOH+ 1.279e-15 1.278e-15 -14.893 -14.893 -0.000 (0) -H(0) 1.216e-14 - H2 6.081e-15 6.081e-15 -14.216 -14.216 0.000 28.61 +H(0) 4.915e-15 + H2 2.457e-15 2.457e-15 -14.610 -14.610 0.000 28.61 K 2.049e-09 K+ 2.049e-09 2.048e-09 -8.688 -8.689 -0.000 8.98 Mg 6.141e-13 @@ -778,9 +774,8 @@ Mg 6.141e-13 MgOH+ 2.650e-17 2.649e-17 -16.577 -16.577 -0.000 (0) Na 1.048e-07 Na+ 1.048e-07 1.047e-07 -6.980 -6.980 -0.000 -1.52 - NaOH 1.262e-24 1.262e-24 -23.899 -23.899 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.948 -63.948 0.000 30.40 + O2 0.000e+00 0.000e+00 -63.161 -63.161 0.000 30.40 Si 1.888e-07 H4SiO4 1.884e-07 1.884e-07 -6.725 -6.725 0.000 52.08 H3SiO4- 3.309e-10 3.308e-10 -9.480 -9.480 -0.000 27.94 @@ -798,7 +793,7 @@ Si 1.888e-07 Chlorite(14A) -61.95 6.43 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -39.83 -7.63 32.20 Mg3Si2O5(OH)4 Gibbsite 0.34 8.45 8.11 Al(OH)3 - H2(g) -11.11 -14.22 -3.10 H2 + H2(g) -11.51 -14.61 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -16.44 -56.71 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -15.43 -36.00 -20.57 KAlSi3O8 @@ -808,7 +803,7 @@ Si 1.888e-07 Montmorillonite(MgK) -15.59 -12.76 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -15.59 -11.88 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -15.59 -12.17 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -61.06 -63.95 -2.89 O2 + O2(g) -60.27 -63.16 -2.89 O2 Quartz -2.74 -6.72 -3.98 SiO2 Sepiolite -32.06 -16.30 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -34.96 -16.30 18.66 Mg2Si3O7.5OH:3H2O @@ -838,7 +833,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 0.000e+00 6.091e-08 6.091e-08 +Kaolinite 0.00 7.44 7.43 0.000e+00 6.091e-08 6.091e-08 -----------------------------Exchange composition------------------------------ @@ -847,10 +842,10 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 - K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 - Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 - Na0.34X_montm_mg 9.999e-03 3.400e-03 2.500e-01 -0.000 + Mg0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 + K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 + Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 + Na0.34X_montm_mg 9.999e-03 3.400e-03 2.500e-01 0.000 -----------------------------Solution composition------------------------------ @@ -866,7 +861,7 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 6.944 Charge balance - pe = -1.713 Adjusted to redox equilibrium + pe = -1.437 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -878,7 +873,7 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Temperature (°C) = 25.00 Electrical balance (eq) = 7.882e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 30 (69 overall) + Iterations = 46 (85 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -899,8 +894,8 @@ Al 6.414e-07 Ca 1.425e-08 Ca+2 1.425e-08 1.419e-08 -7.846 -7.848 -0.002 -18.25 CaOH+ 2.074e-14 2.072e-14 -13.683 -13.684 -0.000 (0) -H(0) 4.878e-14 - H2 2.439e-14 2.439e-14 -13.613 -13.613 0.000 28.61 +H(0) 1.367e-14 + H2 6.836e-15 6.836e-15 -14.165 -14.165 0.000 28.61 K 9.601e-09 K+ 9.601e-09 9.592e-09 -8.018 -8.018 -0.000 8.98 Mg 1.350e-11 @@ -908,9 +903,8 @@ Mg 1.350e-11 MgOH+ 4.300e-16 4.296e-16 -15.367 -15.367 -0.000 (0) Na 4.909e-07 Na+ 4.909e-07 4.904e-07 -6.309 -6.309 -0.000 -1.52 - NaOH 4.366e-24 4.366e-24 -23.360 -23.360 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.154 -65.154 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.050 -64.050 0.000 30.40 Si 1.717e-06 H4SiO4 1.715e-06 1.715e-06 -5.766 -5.766 0.000 52.08 H3SiO4- 2.227e-09 2.225e-09 -8.652 -8.653 -0.000 27.94 @@ -928,17 +922,17 @@ Si 1.717e-06 Chlorite(14A) -51.62 16.76 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -34.68 -2.48 32.20 Mg3Si2O5(OH)4 Gibbsite 1.37 9.48 8.11 Al(OH)3 - H2(g) -10.51 -13.61 -3.10 H2 + H2(g) -11.06 -14.17 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -10.12 -50.39 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -10.98 -31.55 -20.57 KAlSi3O8 K-mica -2.62 10.08 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -9.49 -5.27 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -9.49 -6.66 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -9.49 -5.78 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -9.49 -6.08 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.26 -65.15 -2.89 O2 + O2(g) -61.16 -64.05 -2.89 O2 Quartz -1.79 -5.77 -3.98 SiO2 Sepiolite -27.02 -11.26 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -29.92 -11.26 18.66 Mg2Si3O7.5OH:3H2O @@ -977,10 +971,10 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.000e-02 3.401e-03 2.501e-01 0.000 - K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 - Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 - Na0.34X_montm_mg 9.996e-03 3.399e-03 2.499e-01 0.000 + Mg0.17X_montm_mg 1.000e-02 3.401e-03 2.501e-01 -0.000 + K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + Ca0.17X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + Na0.34X_montm_mg 9.996e-03 3.399e-03 2.499e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -996,7 +990,7 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 7.595 Charge balance - pe = -2.392 Adjusted to redox equilibrium + pe = -2.054 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1008,7 +1002,7 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Temperature (°C) = 25.00 Electrical balance (eq) = 8.532e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 32 (80 overall) + Iterations = 65 (149 overall) Total H = 1.110124e+02 Total O = 5.550623e+01 @@ -1029,8 +1023,8 @@ Al 1.069e-06 Ca 9.128e-08 Ca+2 9.128e-08 9.075e-08 -7.040 -7.042 -0.003 -18.25 CaOH+ 5.941e-13 5.933e-13 -12.226 -12.227 -0.001 (0) -H(0) 5.557e-14 - H2 2.778e-14 2.778e-14 -13.556 -13.556 0.000 28.61 +H(0) 1.168e-14 + H2 5.838e-15 5.838e-15 -14.234 -14.234 0.000 28.61 K 2.429e-08 K+ 2.429e-08 2.426e-08 -7.615 -7.615 -0.001 8.98 Mg 8.665e-11 @@ -1038,9 +1032,8 @@ Mg 8.665e-11 MgOH+ 1.234e-14 1.232e-14 -13.909 -13.909 -0.001 (0) Na 1.241e-06 Na+ 1.241e-06 1.239e-06 -5.906 -5.907 -0.001 -1.52 - NaOH 4.942e-23 4.942e-23 -22.306 -22.306 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.268 -65.268 0.000 30.40 + O2 0.000e+00 0.000e+00 -63.913 -63.913 0.000 30.40 Si 4.254e-06 H4SiO4 4.229e-06 4.229e-06 -5.374 -5.374 0.000 52.08 H3SiO4- 2.460e-08 2.456e-08 -7.609 -7.610 -0.001 27.94 @@ -1058,7 +1051,7 @@ Si 4.254e-06 Chlorite(14A) -40.69 27.69 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -27.57 4.63 32.20 Mg3Si2O5(OH)4 Gibbsite 0.98 9.09 8.11 Al(OH)3 - H2(g) -10.46 -13.56 -3.10 H2 + H2(g) -11.13 -14.23 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -8.49 -48.76 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -9.14 -29.71 -20.57 KAlSi3O8 @@ -1068,7 +1061,7 @@ Si 4.254e-06 Montmorillonite(MgK) -7.50 -4.67 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -7.50 -3.79 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -7.50 -4.09 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.38 -65.27 -2.89 O2 + O2(g) -61.02 -63.91 -2.89 O2 Quartz -1.39 -5.37 -3.98 SiO2 Sepiolite -21.63 -5.87 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -24.53 -5.87 18.66 Mg2Si3O7.5OH:3H2O @@ -1107,10 +1100,10 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.001e-02 3.402e-03 2.501e-01 0.000 - K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 - Ca0.17X_montm_mg 9.999e-03 3.400e-03 2.500e-01 0.000 - Na0.34X_montm_mg 9.994e-03 3.398e-03 2.499e-01 0.000 + Mg0.17X_montm_mg 1.001e-02 3.402e-03 2.501e-01 -0.000 + K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + Ca0.17X_montm_mg 9.999e-03 3.400e-03 2.500e-01 -0.000 + Na0.34X_montm_mg 9.994e-03 3.398e-03 2.499e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -1126,7 +1119,7 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 7.986 Charge balance - pe = -2.793 Adjusted to redox equilibrium + pe = 9.983 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1136,9 +1129,9 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.165e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.531e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 39 (93 overall) + Electrical balance (eq) = -3.039e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 146 (330 overall) Total H = 1.110124e+02 Total O = 5.550623e+01 @@ -1159,8 +1152,8 @@ Al 1.525e-06 Ca 2.497e-07 Ca+2 2.497e-07 2.478e-07 -6.603 -6.606 -0.003 -18.25 CaOH+ 3.993e-12 3.985e-12 -11.399 -11.400 -0.001 (0) -H(0) 5.808e-14 - H2 2.904e-14 2.904e-14 -13.537 -13.537 0.000 28.61 +H(0) 1.630e-39 + H2 8.150e-40 8.150e-40 -39.089 -39.089 0.000 28.61 K 4.017e-08 K+ 4.017e-08 4.009e-08 -7.396 -7.397 -0.001 8.98 Mg 2.375e-10 @@ -1168,9 +1161,8 @@ Mg 2.375e-10 MgOH+ 8.307e-14 8.290e-14 -13.081 -13.081 -0.001 (0) Na 2.051e-06 Na+ 2.051e-06 2.047e-06 -5.688 -5.689 -0.001 -1.52 - NaOH 2.008e-22 2.008e-22 -21.697 -21.697 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.306 -65.306 0.000 30.40 +O(0) 1.255e-14 + O2 6.276e-15 6.276e-15 -14.202 -14.202 0.000 30.40 Si 7.331e-06 H4SiO4 7.228e-06 7.228e-06 -5.141 -5.141 0.000 52.08 H3SiO4- 1.035e-07 1.033e-07 -6.985 -6.986 -0.001 27.95 @@ -1188,7 +1180,7 @@ Si 7.331e-06 Chlorite(14A) -34.36 34.02 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -23.45 8.75 32.20 Mg3Si2O5(OH)4 Gibbsite 0.75 8.86 8.11 Al(OH)3 - H2(g) -10.44 -13.54 -3.10 H2 + H2(g) -35.99 -39.09 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -7.54 -47.81 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -8.07 -28.64 -20.57 KAlSi3O8 @@ -1198,7 +1190,7 @@ Si 7.331e-06 Montmorillonite(MgK) -6.33 -3.50 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -6.33 -2.62 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -6.33 -2.92 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.41 -65.31 -2.89 O2 + O2(g) -11.31 -14.20 -2.89 O2 Quartz -1.16 -5.14 -3.98 SiO2 Sepiolite -18.49 -2.73 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -21.39 -2.73 18.66 Mg2Si3O7.5OH:3H2O @@ -1228,7 +1220,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 1.297e-06 2.765e-06 1.468e-06 +Kaolinite -0.00 7.43 7.43 1.297e-06 2.765e-06 1.468e-06 -----------------------------Exchange composition------------------------------ @@ -1256,7 +1248,7 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 8.349 Charge balance - pe = -3.216 Adjusted to redox equilibrium + pe = 9.410 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1266,9 +1258,9 @@ X_montm_mg 4.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.088e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.501e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 38 (90 overall) + Electrical balance (eq) = -3.039e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 72 (146 overall) Total H = 1.110124e+02 Total O = 5.550625e+01 @@ -1289,8 +1281,8 @@ Al 2.054e-06 Ca 6.607e-07 Ca+2 6.607e-07 6.536e-07 -6.180 -6.185 -0.005 -18.25 CaOH+ 2.431e-11 2.424e-11 -10.614 -10.615 -0.001 (0) -H(0) 7.659e-14 - H2 3.829e-14 3.829e-14 -13.417 -13.417 0.000 28.61 +H(0) 4.285e-39 + H2 2.142e-39 2.142e-39 -38.669 -38.669 0.000 28.61 K 6.534e-08 K+ 6.534e-08 6.516e-08 -7.185 -7.186 -0.001 8.98 Mg 6.312e-10 @@ -1298,9 +1290,8 @@ Mg 6.312e-10 MgOH+ 5.076e-13 5.063e-13 -12.294 -12.296 -0.001 (0) Na 3.333e-06 Na+ 3.333e-06 3.324e-06 -5.477 -5.478 -0.001 -1.52 - NaOH 7.519e-22 7.519e-22 -21.124 -21.124 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.546 -65.546 0.000 30.40 +O(0) 1.817e-15 + O2 9.083e-16 9.083e-16 -15.042 -15.042 0.000 30.40 Si 1.275e-05 H4SiO4 1.234e-05 1.234e-05 -4.909 -4.909 0.000 52.08 H3SiO4- 4.077e-07 4.066e-07 -6.390 -6.391 -0.001 27.95 @@ -1318,17 +1309,17 @@ Si 1.275e-05 Chlorite(14A) -28.39 39.99 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -19.54 12.66 32.20 Mg3Si2O5(OH)4 Gibbsite 0.52 8.63 8.11 Al(OH)3 - H2(g) -10.32 -13.42 -3.10 H2 + H2(g) -35.57 -38.67 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -6.63 -46.90 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -7.03 -27.60 -20.57 KAlSi3O8 K-mica -0.39 12.32 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -5.20 -0.98 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -5.20 -2.37 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -5.20 -1.49 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -5.20 -1.79 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.65 -65.55 -2.89 O2 + O2(g) -12.15 -15.04 -2.89 O2 Quartz -0.93 -4.91 -3.98 SiO2 Sepiolite -15.50 0.26 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -18.40 0.26 18.66 Mg2Si3O7.5OH:3H2O @@ -1358,7 +1349,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 2.765e-06 4.672e-06 1.907e-06 +Kaolinite 0.00 7.44 7.43 2.765e-06 4.672e-06 1.907e-06 -----------------------------Exchange composition------------------------------ @@ -1367,10 +1358,10 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.001e-02 3.405e-03 2.504e-01 0.000 - K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 0.000 - Ca0.17X_montm_mg 9.993e-03 3.397e-03 2.499e-01 0.000 - Na0.34X_montm_mg 9.986e-03 3.395e-03 2.497e-01 0.000 + Mg0.17X_montm_mg 1.001e-02 3.405e-03 2.504e-01 -0.000 + K0.34X_montm_mg 1.000e-02 3.400e-03 2.500e-01 -0.000 + Ca0.17X_montm_mg 9.993e-03 3.397e-03 2.499e-01 -0.000 + Na0.34X_montm_mg 9.986e-03 3.395e-03 2.497e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -1386,7 +1377,7 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 8.581 Charge balance - pe = -3.471 Adjusted to redox equilibrium + pe = -3.303 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1396,9 +1387,9 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.449e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.746e-14 + Electrical balance (eq) = -3.039e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 (59 overall) + Iterations = 129 (288 overall) Total H = 1.110124e+02 Total O = 5.550626e+01 @@ -1419,8 +1410,8 @@ Al 2.405e-06 Ca 1.278e-06 Ca+2 1.278e-06 1.260e-06 -5.894 -5.900 -0.006 -18.24 CaOH+ 7.993e-11 7.966e-11 -10.097 -10.099 -0.001 (0) -H(0) 8.543e-14 - H2 4.272e-14 4.272e-14 -13.369 -13.369 0.000 28.61 +H(0) 3.941e-14 + H2 1.970e-14 1.970e-14 -13.705 -13.705 0.000 28.61 K 9.089e-08 K+ 9.089e-08 9.058e-08 -7.041 -7.043 -0.001 8.98 Mg 1.227e-09 @@ -1428,9 +1419,8 @@ Mg 1.227e-09 MgOH+ 1.678e-12 1.672e-12 -11.775 -11.777 -0.001 (0) Na 4.631e-06 Na+ 4.631e-06 4.615e-06 -5.334 -5.336 -0.001 -1.52 - NaOH 1.779e-21 1.779e-21 -20.750 -20.750 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.641 -65.641 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.969 -64.969 0.000 30.40 Si 1.897e-05 H4SiO4 1.795e-05 1.795e-05 -4.746 -4.746 0.000 52.08 H3SiO4- 1.012e-06 1.008e-06 -5.995 -5.996 -0.001 27.95 @@ -1448,17 +1438,17 @@ Si 1.897e-05 Chlorite(14A) -24.47 43.91 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -16.96 15.24 32.20 Mg3Si2O5(OH)4 Gibbsite 0.35 8.46 8.11 Al(OH)3 - H2(g) -10.27 -13.37 -3.10 H2 + H2(g) -10.60 -13.71 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -6.02 -46.29 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -6.33 -26.90 -20.57 KAlSi3O8 K-mica -0.01 12.69 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -4.44 -0.22 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -4.44 -1.61 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -4.44 -0.73 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -4.44 -1.03 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.75 -65.64 -2.89 O2 + O2(g) -62.08 -64.97 -2.89 O2 Quartz -0.77 -4.75 -3.98 SiO2 Sepiolite -13.51 2.25 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -16.41 2.25 18.66 Mg2Si3O7.5OH:3H2O @@ -1488,7 +1478,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 4.672e-06 6.921e-06 2.249e-06 +Kaolinite -0.00 7.43 7.43 4.672e-06 6.921e-06 2.249e-06 -----------------------------Exchange composition------------------------------ @@ -1497,10 +1487,10 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.002e-02 3.407e-03 2.506e-01 0.000 - K0.34X_montm_mg 1.000e-02 3.400e-03 2.501e-01 0.000 - Ca0.17X_montm_mg 9.988e-03 3.396e-03 2.498e-01 0.000 - Na0.34X_montm_mg 9.983e-03 3.394e-03 2.496e-01 0.000 + Mg0.17X_montm_mg 1.002e-02 3.407e-03 2.506e-01 -0.000 + K0.34X_montm_mg 1.000e-02 3.400e-03 2.501e-01 -0.000 + Ca0.17X_montm_mg 9.988e-03 3.396e-03 2.498e-01 -0.000 + Na0.34X_montm_mg 9.983e-03 3.394e-03 2.496e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -1516,7 +1506,7 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 8.742 Charge balance - pe = -3.702 Adjusted to redox equilibrium + pe = -3.422 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1526,7 +1516,7 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.804e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.793e-14 + Electrical balance (eq) = -3.543e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 32 (71 overall) Total H = 1.110124e+02 @@ -1549,8 +1539,8 @@ Al 2.621e-06 Ca 2.077e-06 Ca+2 2.077e-06 2.043e-06 -5.683 -5.690 -0.007 -18.24 CaOH+ 1.879e-10 1.871e-10 -9.726 -9.728 -0.002 (0) -H(0) 1.179e-13 - H2 5.897e-14 5.897e-14 -13.229 -13.229 0.000 28.61 +H(0) 3.252e-14 + H2 1.626e-14 1.626e-14 -13.789 -13.789 0.000 28.61 K 1.160e-07 K+ 1.160e-07 1.155e-07 -6.936 -6.937 -0.002 8.98 Mg 2.009e-09 @@ -1558,9 +1548,8 @@ Mg 2.009e-09 MgOH+ 3.968e-12 3.951e-12 -11.401 -11.403 -0.002 (0) Na 5.902e-06 Na+ 5.902e-06 5.877e-06 -5.229 -5.231 -0.002 -1.52 - NaOH 3.283e-21 3.283e-21 -20.484 -20.484 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.921 -65.921 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.802 -64.802 0.000 30.40 Si 2.583e-05 H4SiO4 2.388e-05 2.388e-05 -4.622 -4.622 0.000 52.08 H3SiO4- 1.951e-06 1.943e-06 -5.710 -5.712 -0.002 27.95 @@ -1578,17 +1567,17 @@ Si 2.583e-05 Chlorite(14A) -21.67 46.71 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -15.11 17.09 32.20 Mg3Si2O5(OH)4 Gibbsite 0.23 8.34 8.11 Al(OH)3 - H2(g) -10.13 -13.23 -3.10 H2 + H2(g) -10.69 -13.79 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -5.58 -45.85 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -5.81 -26.39 -20.57 KAlSi3O8 K-mica 0.25 12.96 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -3.88 0.35 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -3.88 -1.05 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -3.88 -0.17 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -3.88 -0.47 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -63.03 -65.92 -2.89 O2 + O2(g) -61.91 -64.80 -2.89 O2 Quartz -0.64 -4.62 -3.98 SiO2 Sepiolite -12.07 3.69 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -14.97 3.69 18.66 Mg2Si3O7.5OH:3H2O @@ -1646,7 +1635,7 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 8.861 Charge balance - pe = -3.832 Adjusted to redox equilibrium + pe = -3.661 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 2 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -1656,7 +1645,7 @@ X_montm_mg 3.999e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.158e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.795e-14 + Electrical balance (eq) = -3.561e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 30 (68 overall) Total H = 1.110124e+02 @@ -1679,8 +1668,8 @@ Al 2.744e-06 Ca 3.034e-06 Ca+2 3.033e-06 2.977e-06 -5.518 -5.526 -0.008 -18.24 CaOH+ 3.602e-10 3.585e-10 -9.443 -9.446 -0.002 (0) -H(0) 1.241e-13 - H2 6.206e-14 6.206e-14 -13.207 -13.207 0.000 28.61 +H(0) 5.633e-14 + H2 2.817e-14 2.817e-14 -13.550 -13.550 0.000 28.61 K 1.403e-07 K+ 1.403e-07 1.396e-07 -6.853 -6.855 -0.002 8.98 Mg 2.956e-09 @@ -1688,9 +1677,8 @@ Mg 2.956e-09 MgOH+ 7.660e-12 7.624e-12 -11.116 -11.118 -0.002 (0) Na 7.132e-06 Na+ 7.132e-06 7.099e-06 -5.147 -5.149 -0.002 -1.52 - NaOH 5.214e-21 5.214e-21 -20.283 -20.283 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.966 -65.966 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.279 -65.279 0.000 30.40 Si 3.322e-05 H4SiO4 3.000e-05 3.000e-05 -4.523 -4.523 0.000 52.08 H3SiO4- 3.225e-06 3.210e-06 -5.491 -5.494 -0.002 27.95 @@ -1708,7 +1696,7 @@ Si 3.322e-05 Chlorite(14A) -19.55 48.83 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -13.70 18.50 32.20 Mg3Si2O5(OH)4 Gibbsite 0.13 8.24 8.11 Al(OH)3 - H2(g) -10.11 -13.21 -3.10 H2 + H2(g) -10.45 -13.55 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -5.24 -45.51 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -5.41 -25.99 -20.57 KAlSi3O8 @@ -1718,7 +1706,7 @@ Si 3.322e-05 Montmorillonite(MgK) -3.44 -0.61 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -3.44 0.27 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -3.44 -0.03 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -63.07 -65.97 -2.89 O2 + O2(g) -62.39 -65.28 -2.89 O2 Quartz -0.54 -4.52 -3.98 SiO2 Sepiolite -10.96 4.80 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -13.86 4.80 18.66 Mg2Si3O7.5OH:3H2O @@ -1776,7 +1764,7 @@ X_montm_mg 3.998e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.102 Charge balance - pe = -3.989 Adjusted to redox equilibrium + pe = -3.907 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 4 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -1786,7 +1774,7 @@ X_montm_mg 3.998e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.373e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.810e-14 + Electrical balance (eq) = -3.710e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 45 (103 overall) Total H = 1.110124e+02 @@ -1809,8 +1797,8 @@ Al 2.812e-06 Ca 7.075e-06 Ca+2 7.074e-06 6.889e-06 -5.150 -5.162 -0.011 -18.23 CaOH+ 1.455e-09 1.446e-09 -8.837 -8.840 -0.003 (0) -H(0) 8.428e-14 - H2 4.214e-14 4.214e-14 -13.375 -13.375 0.000 28.61 +H(0) 5.781e-14 + H2 2.890e-14 2.890e-14 -13.539 -13.539 0.000 28.61 K 2.153e-07 K+ 2.153e-07 2.139e-07 -6.667 -6.670 -0.003 8.98 Mg 7.101e-09 @@ -1818,9 +1806,8 @@ Mg 7.101e-09 MgOH+ 3.182e-11 3.161e-11 -10.497 -10.500 -0.003 (0) Na 1.091e-05 Na+ 1.091e-05 1.084e-05 -4.962 -4.965 -0.003 -1.51 - NaOH 1.387e-20 1.387e-20 -19.858 -19.858 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.629 -65.629 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.302 -65.302 0.000 30.40 Si 6.069e-05 H4SiO4 5.110e-05 5.110e-05 -4.292 -4.292 0.000 52.08 H3SiO4- 9.593e-06 9.529e-06 -5.018 -5.021 -0.003 27.95 @@ -1838,7 +1825,7 @@ Si 6.069e-05 Chlorite(14A) -15.03 53.35 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -10.66 21.54 32.20 Mg3Si2O5(OH)4 Gibbsite -0.10 8.01 8.11 Al(OH)3 - H2(g) -10.27 -13.38 -3.10 H2 + H2(g) -10.44 -13.54 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -4.49 -44.76 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -4.53 -25.10 -20.57 KAlSi3O8 @@ -1848,7 +1835,7 @@ Si 6.069e-05 Montmorillonite(MgK) -2.46 0.37 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -2.46 1.25 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -2.46 0.95 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.74 -65.63 -2.89 O2 + O2(g) -62.41 -65.30 -2.89 O2 Quartz -0.31 -4.29 -3.98 SiO2 Sepiolite -8.55 7.21 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -11.45 7.21 18.66 Mg2Si3O7.5OH:3H2O @@ -1878,7 +1865,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 1.913e-05 2.986e-05 1.073e-05 +Kaolinite 0.00 7.44 7.43 1.913e-05 2.986e-05 1.073e-05 -----------------------------Exchange composition------------------------------ @@ -1906,7 +1893,7 @@ X_montm_mg 3.996e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.231 Charge balance - pe = -3.963 Adjusted to redox equilibrium + pe = -4.081 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -1916,7 +1903,7 @@ X_montm_mg 3.996e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.644e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.980e-14 + Electrical balance (eq) = -5.541e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 42 (95 overall) Total H = 1.110124e+02 @@ -1939,8 +1926,8 @@ Al 2.681e-06 Ca 1.193e-05 Ca+2 1.193e-05 1.154e-05 -4.923 -4.938 -0.014 -18.23 CaOH+ 3.291e-09 3.264e-09 -8.483 -8.486 -0.004 (0) -H(0) 4.108e-14 - H2 2.054e-14 2.054e-14 -13.687 -13.687 0.000 28.61 +H(0) 7.077e-14 + H2 3.539e-14 3.539e-14 -13.451 -13.451 0.000 28.61 K 2.815e-07 K+ 2.815e-07 2.792e-07 -6.550 -6.554 -0.004 8.99 Mg 1.238e-08 @@ -1948,9 +1935,8 @@ Mg 1.238e-08 MgOH+ 7.429e-11 7.368e-11 -10.129 -10.133 -0.004 (0) Na 1.423e-05 Na+ 1.423e-05 1.411e-05 -4.847 -4.850 -0.004 -1.51 - NaOH 2.433e-20 2.433e-20 -19.614 -19.614 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.005 -65.005 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.478 -65.478 0.000 30.40 Si 9.063e-05 H4SiO4 7.231e-05 7.231e-05 -4.141 -4.141 0.000 52.08 H3SiO4- 1.832e-05 1.817e-05 -4.737 -4.741 -0.004 27.95 @@ -1968,17 +1954,17 @@ Si 9.063e-05 Chlorite(14A) -12.39 55.99 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -8.87 23.33 32.20 Mg3Si2O5(OH)4 Gibbsite -0.25 7.86 8.11 Al(OH)3 - H2(g) -10.59 -13.69 -3.10 H2 + H2(g) -10.35 -13.45 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -4.04 -44.31 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -3.98 -24.55 -20.57 KAlSi3O8 K-mica 1.13 13.83 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -1.86 2.36 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -1.85 0.98 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -1.85 1.86 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -1.86 1.55 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.11 -65.01 -2.89 O2 + O2(g) -62.59 -65.48 -2.89 O2 Quartz -0.16 -4.14 -3.98 SiO2 Sepiolite -7.10 8.66 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -10.00 8.66 18.66 Mg2Si3O7.5OH:3H2O @@ -2008,7 +1994,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 2.986e-05 4.060e-05 1.074e-05 +Kaolinite 0.00 7.44 7.43 2.986e-05 4.060e-05 1.074e-05 -----------------------------Exchange composition------------------------------ @@ -2017,10 +2003,10 @@ X_montm_mg 3.995e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.010e-02 3.434e-03 2.528e-01 0.000 - K0.34X_montm_mg 9.999e-03 3.400e-03 2.503e-01 0.000 - Na0.34X_montm_mg 9.950e-03 3.383e-03 2.491e-01 0.000 - Ca0.17X_montm_mg 9.900e-03 3.366e-03 2.478e-01 0.000 + Mg0.17X_montm_mg 1.010e-02 3.434e-03 2.528e-01 -0.000 + K0.34X_montm_mg 9.999e-03 3.400e-03 2.503e-01 -0.000 + Na0.34X_montm_mg 9.950e-03 3.383e-03 2.491e-01 -0.000 + Ca0.17X_montm_mg 9.900e-03 3.366e-03 2.478e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -2036,7 +2022,7 @@ X_montm_mg 3.995e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.310 Charge balance - pe = -3.573 Adjusted to redox equilibrium + pe = -4.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -2046,9 +2032,9 @@ X_montm_mg 3.995e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.905e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.973e-14 + Electrical balance (eq) = -5.534e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 81 (171 overall) + Iterations = 54 (126 overall) Total H = 1.110124e+02 Total O = 5.550646e+01 @@ -2069,8 +2055,8 @@ Al 2.517e-06 Ca 1.702e-05 Ca+2 1.702e-05 1.638e-05 -4.769 -4.786 -0.017 -18.22 CaOH+ 5.604e-09 5.551e-09 -8.251 -8.256 -0.004 (0) -H(0) 4.762e-15 - H2 2.381e-15 2.381e-15 -14.623 -14.623 0.000 28.61 +H(0) 6.519e-14 + H2 3.259e-14 3.259e-14 -13.487 -13.487 0.000 28.61 K 3.388e-07 K+ 3.388e-07 3.355e-07 -6.470 -6.474 -0.004 8.99 Mg 1.827e-08 @@ -2078,9 +2064,8 @@ Mg 1.827e-08 MgOH+ 1.307e-10 1.295e-10 -9.884 -9.888 -0.004 (0) Na 1.708e-05 Na+ 1.708e-05 1.691e-05 -4.768 -4.772 -0.004 -1.51 - NaOH 3.496e-20 3.496e-20 -19.456 -19.456 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.134 -63.134 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.406 -65.406 0.000 30.40 Si 1.205e-04 H4SiO4 9.242e-05 9.242e-05 -4.034 -4.034 0.000 52.08 H3SiO4- 2.810e-05 2.783e-05 -4.551 -4.555 -0.004 27.95 @@ -2098,17 +2083,17 @@ Si 1.205e-04 Chlorite(14A) -10.67 57.71 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -7.68 24.52 32.20 Mg3Si2O5(OH)4 Gibbsite -0.36 7.75 8.11 Al(OH)3 - H2(g) -11.52 -14.62 -3.10 H2 + H2(g) -10.39 -13.49 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.74 -44.00 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -3.61 -24.18 -20.57 KAlSi3O8 K-mica 1.29 13.99 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -1.45 2.78 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -1.44 1.39 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -1.44 2.27 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -1.44 1.97 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -60.24 -63.13 -2.89 O2 + O2(g) -62.51 -65.41 -2.89 O2 Quartz -0.05 -4.03 -3.98 SiO2 Sepiolite -6.14 9.62 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.04 9.62 18.66 Mg2Si3O7.5OH:3H2O @@ -2138,7 +2123,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 4.060e-05 6.470e-05 2.410e-05 +Kaolinite -0.00 7.43 7.43 4.060e-05 6.470e-05 2.410e-05 -----------------------------Exchange composition------------------------------ @@ -2166,17 +2151,17 @@ X_montm_mg 3.992e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.412 Charge balance - pe = -3.995 Adjusted to redox equilibrium + pe = -4.163 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.89010 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.098e-04 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 8.745e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.241e-13 + Electrical balance (eq) = -2.997e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 65 (167 overall) Total H = 1.110123e+02 @@ -2199,8 +2184,8 @@ Al 2.179e-06 Ca 2.892e-05 Ca+2 2.890e-05 2.754e-05 -4.539 -4.560 -0.021 -18.22 CaOH+ 1.195e-08 1.181e-08 -7.922 -7.928 -0.005 (0) -H(0) 2.075e-14 - H2 1.037e-14 1.037e-14 -13.984 -13.984 0.000 28.61 +H(0) 4.489e-14 + H2 2.245e-14 2.245e-14 -13.649 -13.649 0.000 28.61 K 4.497e-07 K+ 4.497e-07 4.442e-07 -6.347 -6.352 -0.005 8.99 Mg 3.352e-08 @@ -2208,9 +2193,8 @@ Mg 3.352e-08 MgOH+ 3.005e-10 2.969e-10 -9.522 -9.527 -0.005 (0) Na 2.256e-05 Na+ 2.256e-05 2.229e-05 -4.647 -4.652 -0.005 -1.51 - NaOH 5.829e-20 5.829e-20 -19.234 -19.234 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.412 -64.412 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.082 -65.082 0.000 30.40 Si 1.877e-04 H4SiO4 1.354e-04 1.354e-04 -3.868 -3.868 0.000 52.08 H3SiO4- 5.223e-05 5.160e-05 -4.282 -4.287 -0.005 27.95 @@ -2228,17 +2212,17 @@ Si 1.877e-04 Chlorite(14A) -8.19 60.19 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -5.96 26.24 32.20 Mg3Si2O5(OH)4 Gibbsite -0.52 7.59 8.11 Al(OH)3 - H2(g) -10.88 -13.98 -3.10 H2 + H2(g) -10.55 -13.65 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.29 -43.55 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -3.05 -23.62 -20.57 KAlSi3O8 K-mica 1.51 14.21 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -0.83 3.39 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.82 2.01 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.81 2.89 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.82 2.59 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -61.52 -64.41 -2.89 O2 + O2(g) -62.19 -65.08 -2.89 O2 Quartz 0.11 -3.87 -3.98 SiO2 Sepiolite -4.71 11.05 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.61 11.05 18.66 Mg2Si3O7.5OH:3H2O @@ -2268,7 +2252,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 6.470e-05 7.571e-05 1.101e-05 +Kaolinite -0.00 7.43 7.43 6.470e-05 7.571e-05 1.101e-05 -----------------------------Exchange composition------------------------------ @@ -2296,7 +2280,7 @@ X_montm_mg 3.991e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.442 Charge balance - pe = -3.803 Adjusted to redox equilibrium + pe = -4.140 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 @@ -2306,7 +2290,7 @@ X_montm_mg 3.991e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.005e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.798e-13 + Electrical balance (eq) = -7.554e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 93 (219 overall) Total H = 1.110123e+02 @@ -2329,8 +2313,8 @@ Al 2.048e-06 Ca 3.449e-05 Ca+2 3.447e-05 3.272e-05 -4.463 -4.485 -0.023 -18.21 CaOH+ 1.523e-08 1.503e-08 -7.817 -7.823 -0.006 (0) -H(0) 7.475e-15 - H2 3.738e-15 3.738e-15 -14.427 -14.427 0.000 28.61 +H(0) 3.515e-14 + H2 1.758e-14 1.758e-14 -13.755 -13.755 0.000 28.61 K 4.954e-07 K+ 4.954e-07 4.889e-07 -6.305 -6.311 -0.006 8.99 Mg 4.142e-08 @@ -2338,9 +2322,8 @@ Mg 4.142e-08 MgOH+ 3.964e-10 3.913e-10 -9.402 -9.408 -0.006 (0) Na 2.481e-05 Na+ 2.481e-05 2.449e-05 -4.605 -4.611 -0.006 -1.51 - NaOH 6.859e-20 6.860e-20 -19.164 -19.164 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.525 -63.525 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.870 -64.870 0.000 30.40 Si 2.184e-04 H4SiO4 1.545e-04 1.545e-04 -3.811 -3.811 0.000 52.08 H3SiO4- 6.389e-05 6.305e-05 -4.195 -4.200 -0.006 27.95 @@ -2358,17 +2341,17 @@ Si 2.184e-04 Chlorite(14A) -7.38 61.00 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -5.40 26.80 32.20 Mg3Si2O5(OH)4 Gibbsite -0.58 7.53 8.11 Al(OH)3 - H2(g) -11.33 -14.43 -3.10 H2 + H2(g) -10.65 -13.76 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.14 -43.41 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.87 -23.44 -20.57 KAlSi3O8 K-mica 1.58 14.28 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -0.62 3.60 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.61 2.22 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.60 3.11 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.61 2.80 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -60.63 -63.53 -2.89 O2 + O2(g) -61.98 -64.87 -2.89 O2 Quartz 0.17 -3.81 -3.98 SiO2 Sepiolite -4.24 11.52 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.14 11.52 18.66 Mg2Si3O7.5OH:3H2O @@ -2398,7 +2381,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 7.571e-05 7.626e-05 5.535e-07 +Kaolinite -0.00 7.43 7.43 7.571e-05 7.626e-05 5.535e-07 -----------------------------Exchange composition------------------------------ @@ -2407,10 +2390,10 @@ X_montm_mg 3.991e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Mg0.17X_montm_mg 1.019e-02 3.463e-03 2.552e-01 0.000 - K0.34X_montm_mg 9.999e-03 3.400e-03 2.505e-01 0.000 - Na0.34X_montm_mg 9.927e-03 3.375e-03 2.487e-01 0.000 - Ca0.17X_montm_mg 9.796e-03 3.330e-03 2.455e-01 0.000 + Mg0.17X_montm_mg 1.019e-02 3.463e-03 2.552e-01 -0.000 + K0.34X_montm_mg 9.999e-03 3.400e-03 2.505e-01 -0.000 + Na0.34X_montm_mg 9.927e-03 3.375e-03 2.487e-01 -0.000 + Ca0.17X_montm_mg 9.796e-03 3.330e-03 2.455e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -2426,7 +2409,7 @@ X_montm_mg 3.991e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.443 Charge balance - pe = -3.825 Adjusted to redox equilibrium + pe = -4.280 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 @@ -2436,7 +2419,7 @@ X_montm_mg 3.991e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.012e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.802e-13 + Electrical balance (eq) = -7.558e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 44 (104 overall) Total H = 1.110123e+02 @@ -2459,8 +2442,8 @@ Al 2.042e-06 Ca 3.477e-05 Ca+2 3.475e-05 3.298e-05 -4.459 -4.482 -0.023 -18.21 CaOH+ 1.540e-08 1.519e-08 -7.813 -7.818 -0.006 (0) -H(0) 8.197e-15 - H2 4.099e-15 4.099e-15 -14.387 -14.387 0.000 28.61 +H(0) 6.667e-14 + H2 3.334e-14 3.334e-14 -13.477 -13.477 0.000 28.61 K 4.976e-07 K+ 4.976e-07 4.911e-07 -6.303 -6.309 -0.006 8.99 Mg 4.183e-08 @@ -2468,9 +2451,8 @@ Mg 4.183e-08 MgOH+ 4.015e-10 3.963e-10 -9.396 -9.402 -0.006 (0) Na 2.492e-05 Na+ 2.492e-05 2.459e-05 -4.603 -4.609 -0.006 -1.51 - NaOH 6.911e-20 6.911e-20 -19.160 -19.160 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.605 -63.605 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.426 -65.426 0.000 30.40 Si 2.199e-04 H4SiO4 1.554e-04 1.554e-04 -3.808 -3.808 0.000 52.08 H3SiO4- 6.448e-05 6.363e-05 -4.191 -4.196 -0.006 27.95 @@ -2488,17 +2470,17 @@ Si 2.199e-04 Chlorite(14A) -7.35 61.03 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -5.37 26.83 32.20 Mg3Si2O5(OH)4 Gibbsite -0.58 7.53 8.11 Al(OH)3 - H2(g) -11.29 -14.39 -3.10 H2 + H2(g) -10.38 -13.48 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.13 -43.40 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.86 -23.43 -20.57 KAlSi3O8 K-mica 1.58 14.29 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -0.61 3.61 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.60 2.23 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.59 3.11 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.60 2.81 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -60.71 -63.61 -2.89 O2 + O2(g) -62.53 -65.43 -2.89 O2 Quartz 0.17 -3.81 -3.98 SiO2 Sepiolite -4.22 11.54 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.12 11.54 18.66 Mg2Si3O7.5OH:3H2O @@ -2556,7 +2538,7 @@ X_montm_mg 3.991e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.443 Charge balance - pe = -3.074 Adjusted to redox equilibrium + pe = -4.324 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 @@ -2566,7 +2548,7 @@ X_montm_mg 3.991e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.012e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.968e-13 + Electrical balance (eq) = -7.724e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 (32 overall) Total H = 1.110123e+02 @@ -2589,8 +2571,8 @@ Al 2.042e-06 Ca 3.477e-05 Ca+2 3.476e-05 3.298e-05 -4.459 -4.482 -0.023 -18.21 CaOH+ 1.540e-08 1.520e-08 -7.813 -7.818 -0.006 (0) -H(0) 2.577e-16 - H2 1.289e-16 1.289e-16 -15.890 -15.890 0.000 28.61 +H(0) 8.161e-14 + H2 4.080e-14 4.081e-14 -13.389 -13.389 0.000 28.61 K 4.977e-07 K+ 4.977e-07 4.911e-07 -6.303 -6.309 -0.006 8.99 Mg 4.183e-08 @@ -2598,9 +2580,8 @@ Mg 4.183e-08 MgOH+ 4.015e-10 3.963e-10 -9.396 -9.402 -0.006 (0) Na 2.492e-05 Na+ 2.492e-05 2.459e-05 -4.603 -4.609 -0.006 -1.51 - NaOH 6.911e-20 6.911e-20 -19.160 -19.160 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.600 -60.600 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.601 -65.601 0.000 30.40 Si 2.199e-04 H4SiO4 1.554e-04 1.554e-04 -3.808 -3.808 0.000 52.08 H3SiO4- 6.448e-05 6.364e-05 -4.191 -4.196 -0.006 27.95 @@ -2618,7 +2599,7 @@ Si 2.199e-04 Chlorite(14A) -7.35 61.03 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -5.37 26.83 32.20 Mg3Si2O5(OH)4 Gibbsite -0.58 7.53 8.11 Al(OH)3 - H2(g) -12.79 -15.89 -3.10 H2 + H2(g) -10.29 -13.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.13 -43.40 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.86 -23.43 -20.57 KAlSi3O8 @@ -2628,7 +2609,7 @@ Si 2.199e-04 Montmorillonite(MgK) -0.60 2.23 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.59 3.11 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.60 2.81 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -57.71 -60.60 -2.89 O2 + O2(g) -62.71 -65.60 -2.89 O2 Quartz 0.17 -3.81 -3.98 SiO2 Sepiolite -4.22 11.54 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.12 11.54 18.66 Mg2Si3O7.5OH:3H2O @@ -2693,7 +2674,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.89011 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.343e-04 Mass of water (kg) = 1.000e+00 @@ -2731,7 +2712,6 @@ Mg 3.481e-08 MgOH+ 3.379e-10 3.335e-10 -9.471 -9.477 -0.006 (0) Na 2.452e-05 Na+ 2.452e-05 2.419e-05 -4.611 -4.616 -0.006 -1.51 - NaOH 6.880e-20 6.880e-20 -19.162 -19.162 0.000 (0) O(0) 2.531e-14 O2 1.265e-14 1.265e-14 -13.898 -13.898 0.000 30.40 Si 2.266e-04 diff --git a/mytest/kin_r_101.sel b/mytest/kin_r_101.sel index 2670104bf..475dfa5d9 100644 --- a/mytest/kin_r_101.sel +++ b/mytest/kin_r_101.sel @@ -1,23 +1,23 @@ Mu SC 0.000000155027 0.0510773043 0.000000100644 0.0547821292 - 0.000134321939 11.2936955140 - 0.000134321939 11.2936955140 + 0.000134321939 11.2936899071 + 0.000134321939 11.2936899071 0.000000136802 0.0557258540 0.000000142052 0.0561891445 0.000000194750 0.0610411788 - 0.000000685186 0.1050880587 - 0.000001567563 0.2027569289 - 0.000002852108 0.3923130730 - 0.000005386594 0.7811408352 - 0.000008560543 1.2515610846 - 0.000012256015 1.7645826828 - 0.000016383770 2.2965663655 - 0.000032371909 4.0590531166 - 0.000050338957 5.6849766260 - 0.000068534840 7.1080695102 - 0.000109846760 9.8685976546 - 0.000128869882 11.0033083178 - 0.000129828126 11.0588328350 - 0.000129834680 11.0592121485 - 0.000134321939 11.2936955140 + 0.000000685186 0.1050880584 + 0.000001567563 0.2027569294 + 0.000002852108 0.3923130457 + 0.000005386593 0.7811407975 + 0.000008560543 1.2515610283 + 0.000012256015 1.7645826100 + 0.000016383770 2.2965662681 + 0.000032371909 4.0590528330 + 0.000050338957 5.6849759483 + 0.000068534840 7.1080682054 + 0.000109846760 9.8685940346 + 0.000128869882 11.0033032052 + 0.000129828126 11.0588276324 + 0.000129834680 11.0592069528 + 0.000134321939 11.2936899071 diff --git a/mytest/kin_time.out b/mytest/kin_time.out index 588bfee8f..985907e9e 100644 --- a/mytest/kin_time.out +++ b/mytest/kin_time.out @@ -66,10 +66,10 @@ Initial solution 10. Test solution pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 84403 + Specific Conductance (µS/cm, 25°C) = 84402 Density (g/cm³) = 1.03635 Volume (L) = 1.02166 - Viscosity (mPa s) = 0.97432 + Viscosity (mPa s) = 0.97433 Activity of water = 0.966 Ionic strength (mol/kgw) = 1.007e+00 Mass of water (kg) = 1.000e+00 @@ -120,7 +120,6 @@ Na 1.000e+00 NaSO4- 7.331e-04 4.822e-04 -3.135 -3.317 -0.182 11.91 NaHPO4- 2.004e-04 1.312e-04 -3.698 -3.882 -0.184 104.95 NaHCO3 1.876e-04 2.982e-04 -3.727 -3.525 0.201 31.73 - NaOH 5.667e-18 7.145e-18 -17.247 -17.146 0.101 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.211 -42.110 0.101 30.40 P 1.000e-03 @@ -423,7 +422,7 @@ Hfo 6.000e+02 m² for 1.000e+00 g Water in diffuse layer: 6.000e-03 kg, 100.0% of total DDL-water. - viscosity: 0.98182 mPa s for DDL water. + viscosity: 0.98215 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -5.809e-04 V. @@ -505,10 +504,10 @@ X 1.000e-03 mol pH = 6.894 Charge balance pe = 8.669 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 83911 + Specific Conductance (µS/cm, 25°C) = 83890 Density (g/cm³) = 1.04002 Volume (L) = 1.02142 - Viscosity (mPa s) = 0.98182 + Viscosity (mPa s) = 0.98215 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.020e+00 Mass of water (kg) = 9.991e-01 @@ -614,7 +613,6 @@ Na 9.948e-01 NaHCO3 5.175e-03 8.278e-03 -2.286 -2.082 0.204 31.73 NaSO4- 7.262e-04 4.772e-04 -3.139 -3.321 -0.182 12.04 NaHPO4- 3.839e-05 2.510e-05 -4.416 -4.600 -0.185 105.90 - NaOH 4.379e-18 5.539e-18 -17.359 -17.257 0.102 (0) O(0) 2.176e-24 O2 1.088e-24 1.376e-24 -23.963 -23.861 0.102 30.40 P 2.069e-04 @@ -799,7 +797,7 @@ Hfo 6.000e+02 m² for 1.000e+00 g Water in diffuse layer: 6.000e-03 kg, 100.0% of total DDL-water. - viscosity: 0.98182 mPa s for DDL water. + viscosity: 0.98215 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -5.809e-04 V. @@ -881,10 +879,10 @@ X 1.000e-03 mol pH = 6.894 Charge balance pe = 8.669 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 83911 + Specific Conductance (µS/cm, 25°C) = 83890 Density (g/cm³) = 1.04002 Volume (L) = 1.02142 - Viscosity (mPa s) = 0.98182 + Viscosity (mPa s) = 0.98215 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.020e+00 Mass of water (kg) = 9.991e-01 @@ -892,7 +890,7 @@ X 1.000e-03 mol Total CO2 (mol/kg) = 2.874e-02 Temperature (°C) = 25.00 Pressure (atm) = 0.89 - Electrical balance (eq) = -4.445e-12 + Electrical balance (eq) = -4.347e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 (70 overall) Total H = 1.110139e+02 @@ -990,7 +988,6 @@ Na 9.948e-01 NaHCO3 5.175e-03 8.278e-03 -2.286 -2.082 0.204 31.73 NaSO4- 7.262e-04 4.772e-04 -3.139 -3.321 -0.182 12.04 NaHPO4- 3.839e-05 2.510e-05 -4.416 -4.600 -0.185 105.90 - NaOH 4.379e-18 5.539e-18 -17.359 -17.257 0.102 (0) O(0) 2.175e-24 O2 1.087e-24 1.375e-24 -23.964 -23.862 0.102 30.40 P 2.069e-04 @@ -1193,7 +1190,7 @@ FeZnCO3 1.66e-01 Diffuse Double Layer Surface-Complexation Model Hfo - 3.574e-15 Surface + diffuse layer charge, eq + -3.402e-14 Surface + diffuse layer charge, eq -2.768e-04 Surface charge, eq -4.452e-02 sigma, C/m² -1.888e-02 psi, V @@ -1203,7 +1200,7 @@ Hfo 6.000e+02 m² for 1.000e+00 g Water in diffuse layer: 6.000e-03 kg, 100.0% of total DDL-water. - viscosity: 0.98182 mPa s for DDL water. + viscosity: 0.98215 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -5.809e-04 V. @@ -1285,10 +1282,10 @@ X 1.000e-03 mol pH = 6.894 Charge balance pe = 8.669 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 83911 + Specific Conductance (µS/cm, 25°C) = 83890 Density (g/cm³) = 1.04002 Volume (L) = 1.02142 - Viscosity (mPa s) = 0.98182 + Viscosity (mPa s) = 0.98215 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.020e+00 Mass of water (kg) = 9.991e-01 @@ -1296,9 +1293,9 @@ X 1.000e-03 mol Total CO2 (mol/kg) = 2.874e-02 Temperature (°C) = 25.00 Pressure (atm) = 0.89 - Electrical balance (eq) = -2.911e-12 + Electrical balance (eq) = -4.005e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 (50 overall) + Iterations = 12 (53 overall) Total H = 1.110139e+02 Total O = 5.562029e+01 @@ -1394,7 +1391,6 @@ Na 9.948e-01 NaHCO3 5.175e-03 8.278e-03 -2.286 -2.082 0.204 31.73 NaSO4- 7.262e-04 4.772e-04 -3.139 -3.321 -0.182 12.04 NaHPO4- 3.839e-05 2.510e-05 -4.416 -4.600 -0.185 105.90 - NaOH 4.379e-18 5.539e-18 -17.359 -17.257 0.102 (0) O(0) 2.176e-24 O2 1.088e-24 1.376e-24 -23.963 -23.861 0.102 30.40 P 2.069e-04 @@ -1539,7 +1535,7 @@ Total pressure: 0.90 atmospheres (Peng-Robinson calculation) Component log P P phi Initial Final Delta CO2(g) -0.93 1.168e-01 0.996 4.712e-03 4.779e-03 6.738e-05 -N2(g) -0.11 7.797e-01 1.000 3.189e-02 3.189e-02 2.603e-08 +N2(g) -0.11 7.797e-01 1.000 3.189e-02 3.189e-02 2.602e-08 O2(g) -20.93 1.180e-21 0.999 4.397e-23 4.828e-23 4.314e-24 -------------------------------Phase assemblage-------------------------------- @@ -1579,7 +1575,7 @@ Hfo 6.000e+02 m² for 1.000e+00 g Water in diffuse layer: 6.000e-03 kg, 100.0% of total DDL-water. - viscosity: 0.98190 mPa s for DDL water. + viscosity: 0.98224 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -5.832e-04 V. @@ -1661,10 +1657,10 @@ X 1.000e-03 mol pH = 6.892 Charge balance pe = 8.681 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 83909 + Specific Conductance (µS/cm, 25°C) = 83888 Density (g/cm³) = 1.04006 Volume (L) = 1.02141 - Viscosity (mPa s) = 0.98190 + Viscosity (mPa s) = 0.98224 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.020e+00 Mass of water (kg) = 9.991e-01 @@ -1672,7 +1668,7 @@ X 1.000e-03 mol Total CO2 (mol/kg) = 2.905e-02 Temperature (°C) = 25.00 Pressure (atm) = 0.90 - Electrical balance (eq) = -1.076e-12 + Electrical balance (eq) = -2.207e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 (31 overall) Total H = 1.110139e+02 @@ -1770,7 +1766,6 @@ Na 9.948e-01 NaHCO3 5.227e-03 8.361e-03 -2.282 -2.078 0.204 31.73 NaSO4- 7.262e-04 4.772e-04 -3.139 -3.321 -0.182 12.04 NaHPO4- 3.864e-05 2.526e-05 -4.413 -4.598 -0.185 105.92 - NaOH 4.361e-18 5.516e-18 -17.360 -17.258 0.102 (0) O(0) 2.389e-24 O2 1.195e-24 1.511e-24 -23.923 -23.821 0.102 30.40 P 2.084e-04 diff --git a/mytest/kin_time_101.sel b/mytest/kin_time_101.sel index 57f71a0a2..0f3cd9bec 100644 --- a/mytest/kin_time_101.sel +++ b/mytest/kin_time_101.sel @@ -1,7 +1,7 @@ Mu SC - 1.006616820822 84403.3087478264 - 1.006616820822 84403.3087478264 - 1.020101724460 83911.2288341839 - 1.020100607831 83911.2402056874 - 1.020101724577 83911.2288408215 - 1.020304464917 83909.5034686313 + 1.006616820822 84402.7500551818 + 1.006616820822 84402.7500551818 + 1.020101724460 83890.5580497609 + 1.020100607830 83890.5705977816 + 1.020101724558 83890.5580575637 + 1.020304464948 83888.5307727605 diff --git a/mytest/kinetic_rates.out b/mytest/kinetic_rates.out index d4dfbfa64..74b693135 100644 --- a/mytest/kinetic_rates.out +++ b/mytest/kinetic_rates.out @@ -356,7 +356,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 7.211e-11 Na+ 7.211e-11 5.463e-11 -10.142 -10.263 -0.121 -0.13 - NaOH 3.855e-35 5.274e-35 -34.414 -34.278 0.136 (0) O(0) 2.074e-14 O2 1.037e-14 1.419e-14 -13.984 -13.848 0.136 30.40 Si 2.163e-10 @@ -476,7 +475,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 4.201e-11 Na+ 4.201e-11 3.028e-11 -10.377 -10.519 -0.142 -0.71 - NaOH 8.697e-35 9.558e-35 -34.061 -34.020 0.041 (0) O(0) 1.834e-14 O2 9.171e-15 1.008e-14 -14.038 -13.997 0.041 30.40 Si 1.260e-10 @@ -596,7 +594,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 2.481e-11 Na+ 2.481e-11 1.920e-11 -10.605 -10.717 -0.111 -1.05 - NaOH 1.881e-34 1.935e-34 -33.726 -33.713 0.012 (0) O(0) 3.564e-14 O2 1.782e-14 1.833e-14 -13.749 -13.737 0.012 30.40 Si 7.443e-11 @@ -716,7 +713,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 1.475e-11 Na+ 1.475e-11 1.243e-11 -10.831 -10.906 -0.075 -1.25 - NaOH 3.939e-34 3.972e-34 -33.405 -33.401 0.004 (0) O(0) 2.699e-16 O2 1.349e-16 1.361e-16 -15.870 -15.866 0.004 30.40 Si 4.426e-11 @@ -836,7 +832,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 8.830e-12 Na+ 8.830e-12 7.943e-12 -11.054 -11.100 -0.046 -1.37 - NaOH 8.016e-34 8.037e-34 -33.096 -33.095 0.001 (0) O(0) 5.046e-14 O2 2.523e-14 2.529e-14 -13.598 -13.597 0.001 30.40 Si 2.649e-11 @@ -956,7 +951,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 5.336e-12 Na+ 5.336e-12 5.013e-12 -11.273 -11.300 -0.027 -1.44 - NaOH 1.603e-33 1.604e-33 -32.795 -32.795 0.000 (0) O(0) 1.879e-14 O2 9.395e-15 9.402e-15 -14.027 -14.027 0.000 30.40 Si 1.601e-11 @@ -1076,7 +1070,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 3.276e-12 Na+ 3.276e-12 3.160e-12 -11.485 -11.500 -0.016 -1.48 - NaOH 3.198e-33 3.199e-33 -32.495 -32.495 0.000 (0) O(0) 1.409e-14 O2 7.046e-15 7.048e-15 -14.152 -14.152 0.000 30.40 Si 9.829e-12 @@ -1196,7 +1189,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 2.068e-12 Na+ 2.068e-12 2.026e-12 -11.684 -11.693 -0.009 -1.50 - NaOH 6.484e-33 6.484e-33 -32.188 -32.188 0.000 (0) O(0) 5.937e-14 O2 2.968e-14 2.969e-14 -13.527 -13.527 0.000 30.40 Si 6.204e-12 @@ -1316,7 +1308,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 1.370e-12 Na+ 1.370e-12 1.355e-12 -11.863 -11.868 -0.005 -1.51 - NaOH 1.371e-32 1.371e-32 -31.863 -31.863 0.000 (0) O(0) 1.450e-14 O2 7.250e-15 7.250e-15 -14.140 -14.140 0.000 30.40 Si 4.111e-12 @@ -1436,7 +1427,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 9.904e-13 Na+ 9.904e-13 9.839e-13 -12.004 -12.007 -0.003 -1.51 - NaOH 3.149e-32 3.149e-32 -31.502 -31.502 0.000 (0) O(0) 3.529e-14 O2 1.764e-14 1.764e-14 -13.753 -13.753 0.000 30.40 Si 2.971e-12 @@ -1556,7 +1546,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 8.277e-13 Na+ 8.277e-13 8.246e-13 -12.082 -12.084 -0.002 -1.52 - NaOH 8.346e-32 8.346e-32 -31.079 -31.079 0.000 (0) O(0) 3.919e-14 O2 1.959e-14 1.959e-14 -13.708 -13.708 0.000 30.40 Si 2.483e-12 @@ -1676,7 +1665,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 8.509e-13 Na+ 8.509e-13 8.491e-13 -12.070 -12.071 -0.001 -1.52 - NaOH 2.718e-31 2.718e-31 -30.566 -30.566 0.000 (0) O(0) 4.801e-14 O2 2.400e-14 2.400e-14 -13.620 -13.620 0.000 30.40 Si 2.553e-12 @@ -1796,7 +1784,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 1.095e-12 Na+ 1.095e-12 1.094e-12 -11.960 -11.961 -0.001 -1.52 - NaOH 1.107e-30 1.107e-30 -29.956 -29.956 0.000 (0) O(0) 1.755e-14 O2 8.776e-15 8.776e-15 -14.057 -14.057 0.000 30.40 Si 3.286e-12 @@ -1916,7 +1903,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 1.686e-12 Na+ 1.686e-12 1.685e-12 -11.773 -11.774 -0.000 -1.52 - NaOH 5.392e-30 5.392e-30 -29.268 -29.268 0.000 (0) O(0) 2.200e-14 O2 1.100e-14 1.100e-14 -13.959 -13.959 0.000 30.40 Si 5.057e-12 @@ -2036,7 +2022,6 @@ Li 9.977e-11 Li+ 9.977e-11 9.974e-11 -10.001 -10.001 -0.000 -1.44 Na 2.896e-12 Na+ 2.896e-12 2.895e-12 -11.538 -11.538 -0.000 -1.52 - NaOH 2.930e-29 2.930e-29 -28.533 -28.533 0.000 (0) O(0) 1.304e-12 O2 6.519e-13 6.519e-13 -12.186 -12.186 0.000 30.40 Si 8.687e-12 @@ -2156,7 +2141,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 5.274e-12 Na+ 5.274e-12 5.271e-12 -11.278 -11.278 -0.000 -1.52 - NaOH 1.687e-28 1.687e-28 -27.773 -27.773 0.000 (0) O(0) 5.873e-15 O2 2.937e-15 2.937e-15 -14.532 -14.532 0.000 30.40 Si 1.582e-11 @@ -2276,7 +2260,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 9.895e-12 Na+ 9.895e-12 9.883e-12 -11.005 -11.005 -0.001 -1.52 - NaOH 1.000e-27 1.000e-27 -27.000 -27.000 0.000 (0) O(0) 3.330e-17 O2 1.665e-17 1.665e-17 -16.779 -16.779 0.000 30.40 Si 2.968e-11 @@ -2396,7 +2379,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 1.883e-11 Na+ 1.883e-11 1.880e-11 -10.725 -10.726 -0.001 -1.52 - NaOH 6.016e-27 6.016e-27 -26.221 -26.221 0.000 (0) O(0) 1.894e-15 O2 9.468e-16 9.468e-16 -15.024 -15.024 0.000 30.40 Si 5.650e-11 @@ -2516,7 +2498,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 3.612e-11 Na+ 3.612e-11 3.598e-11 -10.442 -10.444 -0.002 -1.52 - NaOH 3.642e-26 3.642e-26 -25.439 -25.439 0.000 (0) O(0) 5.452e-14 O2 2.726e-14 2.726e-14 -13.564 -13.564 0.000 30.40 Si 1.083e-10 @@ -2636,7 +2617,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 6.951e-11 Na+ 6.951e-11 6.905e-11 -10.158 -10.161 -0.003 -1.51 - NaOH 2.210e-25 2.210e-25 -24.656 -24.656 0.000 (0) O(0) 4.098e-15 O2 2.049e-15 2.049e-15 -14.688 -14.688 0.000 30.40 Si 2.085e-10 @@ -2756,7 +2736,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 1.340e-10 Na+ 1.340e-10 1.325e-10 -9.873 -9.878 -0.005 -1.51 - NaOH 1.341e-24 1.341e-24 -23.873 -23.873 0.000 (0) O(0) 5.213e-16 O2 2.607e-16 2.607e-16 -15.584 -15.584 0.000 30.40 Si 4.021e-10 @@ -2876,7 +2855,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 2.587e-10 Na+ 2.587e-10 2.534e-10 -9.587 -9.596 -0.009 -1.50 - NaOH 8.109e-24 8.110e-24 -23.091 -23.091 0.000 (0) O(0) 3.486e-15 O2 1.743e-15 1.743e-15 -14.759 -14.759 0.000 30.40 Si 7.760e-10 @@ -2996,7 +2974,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 4.995e-10 Na+ 4.995e-10 4.817e-10 -9.301 -9.317 -0.016 -1.48 - NaOH 4.874e-23 4.875e-23 -22.312 -22.312 0.000 (0) O(0) 5.007e-16 O2 2.504e-16 2.504e-16 -15.601 -15.601 0.000 30.40 Si 1.498e-09 @@ -3082,7 +3059,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -3116,7 +3093,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 9.647e-10 Na+ 9.647e-10 9.058e-10 -9.016 -9.043 -0.027 -1.44 - NaOH 2.897e-22 2.899e-22 -21.538 -21.538 0.000 (0) O(0) 3.292e-14 O2 1.646e-14 1.648e-14 -13.784 -13.783 0.000 30.40 Si 2.894e-09 @@ -3202,7 +3178,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -3236,7 +3212,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 1.863e-09 Na+ 1.863e-09 1.674e-09 -8.730 -8.776 -0.047 -1.37 - NaOH 1.689e-21 1.694e-21 -20.772 -20.771 0.001 (0) O(0) 4.651e-14 O2 2.325e-14 2.331e-14 -13.634 -13.632 0.001 30.40 Si 5.590e-09 @@ -3322,7 +3297,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -3356,7 +3331,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 3.600e-09 Na+ 3.600e-09 3.021e-09 -8.444 -8.520 -0.076 -1.25 - NaOH 9.571e-21 9.657e-21 -20.019 -20.015 0.004 (0) O(0) 1.892e-15 O2 9.462e-16 9.547e-16 -15.024 -15.020 0.004 30.40 Si 1.080e-08 @@ -3439,10 +3413,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 3.409 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -3476,7 +3450,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 6.955e-09 Na+ 6.955e-09 5.338e-09 -8.158 -8.273 -0.115 -1.03 - NaOH 5.212e-20 5.378e-20 -19.283 -19.269 0.014 (0) O(0) 6.896e-21 O2 3.448e-21 3.558e-21 -20.462 -20.449 0.014 30.40 Si 2.086e-08 @@ -3559,10 +3532,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.452 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -3596,7 +3569,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 1.344e-08 Na+ 1.344e-08 9.641e-09 -7.872 -8.016 -0.144 -0.63 - NaOH 2.706e-19 3.034e-19 -18.568 -18.518 0.050 (0) O(0) 9.223e-15 O2 4.612e-15 5.171e-15 -14.336 -14.286 0.050 30.40 Si 4.031e-08 @@ -3679,10 +3651,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.033 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -3716,7 +3688,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 2.596e-08 Na+ 2.596e-08 2.067e-08 -7.586 -7.685 -0.099 0.05 - NaOH 1.310e-18 1.966e-18 -17.883 -17.706 0.176 (0) O(0) 1.333e-14 O2 6.665e-15 1.000e-14 -14.176 -14.000 0.176 30.40 Si 7.787e-08 @@ -3855,7 +3826,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 1.253e-11 Na+ 1.253e-11 9.497e-12 -10.902 -11.022 -0.121 -0.13 - NaOH 6.702e-36 9.168e-36 -35.174 -35.038 0.136 (0) O(0) 1.205e-14 O2 6.026e-15 8.243e-15 -14.220 -14.084 0.136 30.40 Si 3.760e-11 @@ -3975,7 +3945,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 6.954e-12 Na+ 6.954e-12 5.013e-12 -11.158 -11.300 -0.142 -0.71 - NaOH 1.440e-35 1.582e-35 -34.842 -34.801 0.041 (0) O(0) 4.266e-14 O2 2.133e-14 2.344e-14 -13.671 -13.630 0.041 30.40 Si 2.086e-11 @@ -4095,7 +4064,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 3.913e-12 Na+ 3.913e-12 3.027e-12 -11.407 -11.519 -0.111 -1.05 - NaOH 2.967e-35 3.051e-35 -34.528 -34.515 0.012 (0) O(0) 1.567e-14 O2 7.833e-15 8.057e-15 -14.106 -14.094 0.012 30.40 Si 1.174e-11 @@ -4215,7 +4183,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 2.220e-12 Na+ 2.220e-12 1.869e-12 -11.654 -11.728 -0.075 -1.25 - NaOH 5.926e-35 5.976e-35 -34.227 -34.224 0.004 (0) O(0) 2.127e-14 O2 1.064e-14 1.073e-14 -13.973 -13.970 0.004 30.40 Si 6.659e-12 @@ -4335,7 +4302,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 1.270e-12 Na+ 1.270e-12 1.143e-12 -11.896 -11.942 -0.046 -1.37 - NaOH 1.153e-34 1.156e-34 -33.938 -33.937 0.001 (0) O(0) 1.704e-14 O2 8.521e-15 8.542e-15 -14.070 -14.068 0.001 30.40 Si 3.811e-12 @@ -4455,7 +4421,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 7.372e-13 Na+ 7.372e-13 6.926e-13 -12.132 -12.160 -0.027 -1.44 - NaOH 2.215e-34 2.217e-34 -33.655 -33.654 0.000 (0) O(0) 1.330e-14 O2 6.651e-15 6.656e-15 -14.177 -14.177 0.000 30.40 Si 2.212e-12 @@ -4575,7 +4540,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 4.376e-13 Na+ 4.376e-13 4.221e-13 -12.359 -12.375 -0.016 -1.48 - NaOH 4.272e-34 4.273e-34 -33.369 -33.369 0.000 (0) O(0) 5.632e-15 O2 2.816e-15 2.817e-15 -14.550 -14.550 0.000 30.40 Si 1.313e-12 @@ -4695,7 +4659,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 2.694e-13 Na+ 2.694e-13 2.639e-13 -12.570 -12.579 -0.009 -1.50 - NaOH 8.446e-34 8.446e-34 -33.073 -33.073 0.000 (0) O(0) 6.034e-14 O2 3.017e-14 3.017e-14 -13.520 -13.520 0.000 30.40 Si 8.081e-13 @@ -4815,7 +4778,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 1.750e-13 Na+ 1.750e-13 1.730e-13 -12.757 -12.762 -0.005 -1.51 - NaOH 1.751e-33 1.751e-33 -32.757 -32.757 0.000 (0) O(0) 4.675e-15 O2 2.338e-15 2.338e-15 -14.631 -14.631 0.000 30.40 Si 5.251e-13 @@ -4935,7 +4897,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 1.224e-13 Na+ 1.224e-13 1.216e-13 -12.912 -12.915 -0.003 -1.51 - NaOH 3.893e-33 3.893e-33 -32.410 -32.410 0.000 (0) O(0) 5.570e-14 O2 2.785e-14 2.785e-14 -13.555 -13.555 0.000 30.40 Si 3.673e-13 @@ -5055,7 +5016,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 9.346e-14 Na+ 9.346e-14 9.311e-14 -13.029 -13.031 -0.002 -1.52 - NaOH 9.424e-33 9.424e-33 -32.026 -32.026 0.000 (0) O(0) 1.899e-14 O2 9.495e-15 9.495e-15 -14.023 -14.023 0.000 30.40 Si 2.804e-13 @@ -5175,7 +5135,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 7.801e-14 Na+ 7.801e-14 7.785e-14 -13.108 -13.109 -0.001 -1.52 - NaOH 2.492e-32 2.492e-32 -31.603 -31.603 0.000 (0) O(0) 7.816e-14 O2 3.908e-14 3.908e-14 -13.408 -13.408 0.000 30.40 Si 2.340e-13 @@ -5295,7 +5254,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 7.053e-14 Na+ 7.053e-14 7.045e-14 -13.152 -13.152 -0.001 -1.52 - NaOH 7.131e-32 7.131e-32 -31.147 -31.147 0.000 (0) O(0) 4.251e-15 O2 2.126e-15 2.126e-15 -14.673 -14.673 0.000 30.40 Si 2.116e-13 @@ -5415,7 +5373,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 6.803e-14 Na+ 6.803e-14 6.799e-14 -13.167 -13.168 -0.000 -1.52 - NaOH 2.176e-31 2.176e-31 -30.662 -30.662 0.000 (0) O(0) 4.807e-14 O2 2.403e-14 2.403e-14 -13.619 -13.619 0.000 30.40 Si 2.041e-13 @@ -5535,7 +5492,6 @@ Li 9.993e-11 Li+ 9.993e-11 9.989e-11 -10.000 -10.000 -0.000 -1.44 Na 6.903e-14 Na+ 6.903e-14 6.900e-14 -13.161 -13.161 -0.000 -1.52 - NaOH 6.984e-31 6.984e-31 -30.156 -30.156 0.000 (0) O(0) 1.313e-12 O2 6.564e-13 6.564e-13 -12.183 -12.183 0.000 30.40 Si 2.071e-13 @@ -5655,7 +5611,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 7.299e-14 Na+ 7.299e-14 7.294e-14 -13.137 -13.137 -0.000 -1.52 - NaOH 2.335e-30 2.335e-30 -29.632 -29.632 0.000 (0) O(0) 3.023e-14 O2 1.512e-14 1.512e-14 -13.821 -13.821 0.000 30.40 Si 2.190e-13 @@ -5775,7 +5730,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 8.001e-14 Na+ 8.001e-14 7.992e-14 -13.097 -13.097 -0.001 -1.52 - NaOH 8.089e-30 8.089e-30 -29.092 -29.092 0.000 (0) O(0) 2.536e-18 O2 1.268e-18 1.268e-18 -17.897 -17.897 0.000 30.40 Si 2.400e-13 @@ -5895,7 +5849,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 9.074e-14 Na+ 9.074e-14 9.055e-14 -13.042 -13.043 -0.001 -1.52 - NaOH 2.898e-29 2.898e-29 -28.538 -28.538 0.000 (0) O(0) 1.751e-15 O2 8.757e-16 8.757e-16 -15.058 -15.058 0.000 30.40 Si 2.722e-13 @@ -6015,7 +5968,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 1.063e-13 Na+ 1.063e-13 1.060e-13 -12.973 -12.975 -0.002 -1.52 - NaOH 1.072e-28 1.072e-28 -27.970 -27.970 0.000 (0) O(0) 7.189e-14 O2 3.595e-14 3.595e-14 -13.444 -13.444 0.000 30.40 Si 3.190e-13 @@ -6135,7 +6087,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 1.287e-13 Na+ 1.287e-13 1.278e-13 -12.891 -12.893 -0.003 -1.51 - NaOH 4.091e-28 4.091e-28 -27.388 -27.388 0.000 (0) O(0) 3.495e-14 O2 1.748e-14 1.748e-14 -13.758 -13.758 0.000 30.40 Si 3.860e-13 @@ -6255,7 +6206,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 1.603e-13 Na+ 1.603e-13 1.584e-13 -12.795 -12.800 -0.005 -1.51 - NaOH 1.604e-27 1.604e-27 -26.795 -26.795 0.000 (0) O(0) 3.056e-16 O2 1.528e-16 1.528e-16 -15.816 -15.816 0.000 30.40 Si 4.809e-13 @@ -6375,7 +6325,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 2.051e-13 Na+ 2.051e-13 2.009e-13 -12.688 -12.697 -0.009 -1.50 - NaOH 6.429e-27 6.430e-27 -26.192 -26.192 0.000 (0) O(0) 4.232e-14 O2 2.116e-14 2.116e-14 -13.674 -13.674 0.000 30.40 Si 6.152e-13 @@ -6495,7 +6444,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 2.684e-13 Na+ 2.684e-13 2.588e-13 -12.571 -12.587 -0.016 -1.48 - NaOH 2.619e-26 2.620e-26 -25.582 -25.582 0.000 (0) O(0) 4.015e-16 O2 2.007e-16 2.008e-16 -15.697 -15.697 0.000 30.40 Si 8.051e-13 @@ -6581,7 +6529,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -6615,7 +6563,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 3.578e-13 Na+ 3.578e-13 3.360e-13 -12.446 -12.474 -0.027 -1.44 - NaOH 1.074e-25 1.075e-25 -24.969 -24.969 0.000 (0) O(0) 4.028e-14 O2 2.014e-14 2.016e-14 -13.696 -13.696 0.000 30.40 Si 1.073e-12 @@ -6701,7 +6648,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -6735,7 +6682,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 4.841e-13 Na+ 4.841e-13 4.349e-13 -12.315 -12.362 -0.047 -1.37 - NaOH 4.389e-25 4.400e-25 -24.358 -24.357 0.001 (0) O(0) 2.994e-14 O2 1.497e-14 1.501e-14 -13.825 -13.824 0.001 30.40 Si 1.452e-12 @@ -6821,7 +6767,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -6855,7 +6801,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 6.624e-13 Na+ 6.624e-13 5.559e-13 -12.179 -12.255 -0.076 -1.25 - NaOH 1.761e-24 1.777e-24 -23.754 -23.750 0.004 (0) O(0) 1.153e-14 O2 5.767e-15 5.818e-15 -14.239 -14.235 0.004 30.40 Si 1.987e-12 @@ -6938,10 +6883,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 4.528 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -6975,7 +6920,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 9.136e-13 Na+ 9.136e-13 7.013e-13 -12.039 -12.154 -0.115 -1.03 - NaOH 6.846e-24 7.065e-24 -23.165 -23.151 0.014 (0) O(0) 2.062e-16 O2 1.031e-16 1.064e-16 -15.987 -15.973 0.014 30.40 Si 2.741e-12 @@ -7058,10 +7002,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.447 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -7095,7 +7039,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 1.265e-12 Na+ 1.265e-12 9.075e-13 -11.898 -12.042 -0.144 -0.63 - NaOH 2.547e-23 2.856e-23 -22.594 -22.544 0.050 (0) O(0) 8.765e-15 O2 4.382e-15 4.914e-15 -14.358 -14.309 0.050 30.40 Si 3.794e-12 @@ -7178,10 +7121,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.133 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -7215,7 +7158,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 1.742e-12 Na+ 1.742e-12 1.387e-12 -11.759 -11.858 -0.099 0.05 - NaOH 8.792e-23 1.320e-22 -22.056 -21.880 0.176 (0) O(0) 3.341e-14 O2 1.670e-14 2.507e-14 -13.777 -13.601 0.176 30.40 Si 5.227e-12 @@ -7352,7 +7294,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 5.606e-11 Na+ 5.606e-11 4.248e-11 -10.251 -10.372 -0.121 -0.13 - NaOH 2.998e-35 4.100e-35 -34.523 -34.387 0.136 (0) O(0) 7.650e-15 O2 3.825e-15 5.232e-15 -14.417 -14.281 0.136 30.40 Si 1.682e-10 @@ -7472,7 +7413,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 4.094e-11 Na+ 4.094e-11 2.952e-11 -10.388 -10.530 -0.142 -0.71 - NaOH 8.476e-35 9.315e-35 -34.072 -34.031 0.041 (0) O(0) 1.559e-14 O2 7.797e-15 8.569e-15 -14.108 -14.067 0.041 30.40 Si 1.228e-10 @@ -7592,7 +7532,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 3.075e-11 Na+ 3.075e-11 2.379e-11 -10.512 -10.624 -0.111 -1.05 - NaOH 2.332e-34 2.398e-34 -33.632 -33.620 0.012 (0) O(0) 2.024e-14 O2 1.012e-14 1.041e-14 -13.995 -13.983 0.012 30.40 Si 9.226e-11 @@ -7712,7 +7651,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 2.366e-11 Na+ 2.366e-11 1.993e-11 -10.626 -10.701 -0.075 -1.25 - NaOH 6.317e-34 6.370e-34 -33.199 -33.196 0.004 (0) O(0) 1.520e-14 O2 7.601e-15 7.665e-15 -14.119 -14.115 0.004 30.40 Si 7.099e-11 @@ -7832,7 +7770,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 1.868e-11 Na+ 1.868e-11 1.681e-11 -10.729 -10.775 -0.046 -1.37 - NaOH 1.696e-33 1.700e-33 -32.771 -32.769 0.001 (0) O(0) 7.077e-14 O2 3.538e-14 3.547e-14 -13.451 -13.450 0.001 30.40 Si 5.605e-11 @@ -7952,7 +7889,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 1.518e-11 Na+ 1.518e-11 1.426e-11 -10.819 -10.846 -0.027 -1.44 - NaOH 4.561e-33 4.565e-33 -32.341 -32.341 0.000 (0) O(0) 4.001e-14 O2 2.001e-14 2.002e-14 -13.699 -13.698 0.000 30.40 Si 4.555e-11 @@ -8072,7 +8008,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 1.274e-11 Na+ 1.274e-11 1.229e-11 -10.895 -10.911 -0.016 -1.48 - NaOH 1.243e-32 1.244e-32 -31.905 -31.905 0.000 (0) O(0) 3.152e-15 O2 1.576e-15 1.576e-15 -14.802 -14.802 0.000 30.40 Si 3.821e-11 @@ -8192,7 +8127,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 1.105e-11 Na+ 1.105e-11 1.082e-11 -10.957 -10.966 -0.009 -1.50 - NaOH 3.464e-32 3.465e-32 -31.460 -31.460 0.000 (0) O(0) 4.754e-14 O2 2.377e-14 2.377e-14 -13.624 -13.624 0.000 30.40 Si 3.315e-11 @@ -8312,7 +8246,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 9.914e-12 Na+ 9.914e-12 9.800e-12 -11.004 -11.009 -0.005 -1.51 - NaOH 9.919e-32 9.919e-32 -31.004 -31.004 0.000 (0) O(0) 1.927e-14 O2 9.636e-15 9.636e-15 -14.016 -14.016 0.000 30.40 Si 2.974e-11 @@ -8432,7 +8365,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 9.196e-12 Na+ 9.196e-12 9.136e-12 -11.036 -11.039 -0.003 -1.51 - NaOH 2.924e-31 2.924e-31 -30.534 -30.534 0.000 (0) O(0) 5.213e-14 O2 2.607e-14 2.607e-14 -13.584 -13.584 0.000 30.40 Si 2.759e-11 @@ -8552,7 +8484,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 8.807e-12 Na+ 8.807e-12 8.775e-12 -11.055 -11.057 -0.002 -1.52 - NaOH 8.881e-31 8.881e-31 -30.052 -30.052 0.000 (0) O(0) 1.798e-14 O2 8.991e-15 8.991e-15 -14.046 -14.046 0.000 30.40 Si 2.642e-11 @@ -8672,7 +8603,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 8.702e-12 Na+ 8.702e-12 8.684e-12 -11.060 -11.061 -0.001 -1.52 - NaOH 2.779e-30 2.779e-30 -29.556 -29.556 0.000 (0) O(0) 2.654e-14 O2 1.327e-14 1.327e-14 -13.877 -13.877 0.000 30.40 Si 2.611e-11 @@ -8792,7 +8722,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 8.867e-12 Na+ 8.867e-12 8.856e-12 -11.052 -11.053 -0.001 -1.52 - NaOH 8.964e-30 8.964e-30 -29.048 -29.048 0.000 (0) O(0) 2.246e-14 O2 1.123e-14 1.123e-14 -13.950 -13.950 0.000 30.40 Si 2.660e-11 @@ -8912,7 +8841,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 9.322e-12 Na+ 9.322e-12 9.316e-12 -11.031 -11.031 -0.000 -1.52 - NaOH 2.982e-29 2.982e-29 -28.526 -28.526 0.000 (0) O(0) 8.261e-15 O2 4.131e-15 4.131e-15 -14.384 -14.384 0.000 30.40 Si 2.797e-11 @@ -9032,7 +8960,6 @@ Li 9.937e-11 Li+ 9.937e-11 9.933e-11 -10.003 -10.003 -0.000 -1.44 Na 1.012e-11 Na+ 1.012e-11 1.012e-11 -10.995 -10.995 -0.000 -1.52 - NaOH 1.024e-28 1.024e-28 -27.990 -27.990 0.000 (0) O(0) 1.309e-12 O2 6.546e-13 6.546e-13 -12.184 -12.184 0.000 30.40 Si 3.037e-11 @@ -9152,7 +9079,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 1.136e-11 Na+ 1.136e-11 1.136e-11 -10.944 -10.945 -0.000 -1.52 - NaOH 3.635e-28 3.635e-28 -27.440 -27.440 0.000 (0) O(0) 4.922e-14 O2 2.461e-14 2.461e-14 -13.609 -13.609 0.000 30.40 Si 3.409e-11 @@ -9272,7 +9198,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 1.320e-11 Na+ 1.320e-11 1.318e-11 -10.880 -10.880 -0.001 -1.52 - NaOH 1.334e-27 1.334e-27 -26.875 -26.875 0.000 (0) O(0) 5.903e-15 O2 2.952e-15 2.952e-15 -14.530 -14.530 0.000 30.40 Si 3.959e-11 @@ -9392,7 +9317,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 1.584e-11 Na+ 1.584e-11 1.581e-11 -10.800 -10.801 -0.001 -1.52 - NaOH 5.059e-27 5.059e-27 -26.296 -26.296 0.000 (0) O(0) 1.044e-15 O2 5.219e-16 5.219e-16 -15.282 -15.282 0.000 30.40 Si 4.752e-11 @@ -9512,7 +9436,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 1.962e-11 Na+ 1.962e-11 1.954e-11 -10.707 -10.709 -0.002 -1.52 - NaOH 1.978e-26 1.978e-26 -25.704 -25.704 0.000 (0) O(0) 5.096e-14 O2 2.548e-14 2.548e-14 -13.594 -13.594 0.000 30.40 Si 5.885e-11 @@ -9632,7 +9555,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 2.498e-11 Na+ 2.498e-11 2.481e-11 -10.602 -10.605 -0.003 -1.51 - NaOH 7.941e-26 7.941e-26 -25.100 -25.100 0.000 (0) O(0) 2.789e-14 O2 1.394e-14 1.394e-14 -13.856 -13.856 0.000 30.40 Si 7.493e-11 @@ -9752,7 +9674,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 3.257e-11 Na+ 3.257e-11 3.219e-11 -10.487 -10.492 -0.005 -1.51 - NaOH 3.258e-25 3.258e-25 -24.487 -24.487 0.000 (0) O(0) 5.347e-15 O2 2.674e-15 2.674e-15 -14.573 -14.573 0.000 30.40 Si 9.770e-11 @@ -9872,7 +9793,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 4.330e-11 Na+ 4.330e-11 4.242e-11 -10.363 -10.372 -0.009 -1.50 - NaOH 1.358e-24 1.358e-24 -23.867 -23.867 0.000 (0) O(0) 1.392e-13 O2 6.962e-14 6.963e-14 -13.157 -13.157 0.000 30.40 Si 1.299e-10 @@ -9992,7 +9912,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 5.848e-11 Na+ 5.848e-11 5.640e-11 -10.233 -10.249 -0.016 -1.48 - NaOH 5.707e-24 5.708e-24 -23.244 -23.244 0.000 (0) O(0) 2.572e-15 O2 1.286e-15 1.286e-15 -14.891 -14.891 0.000 30.40 Si 1.754e-10 @@ -10078,7 +9997,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -10112,7 +10031,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 7.992e-11 Na+ 7.992e-11 7.505e-11 -10.097 -10.125 -0.027 -1.44 - NaOH 2.400e-23 2.402e-23 -22.620 -22.619 0.000 (0) O(0) 4.887e-14 O2 2.443e-14 2.445e-14 -13.612 -13.612 0.000 30.40 Si 2.398e-10 @@ -10198,7 +10116,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -10232,7 +10150,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 1.102e-10 Na+ 1.102e-10 9.902e-11 -9.958 -10.004 -0.047 -1.37 - NaOH 9.992e-23 1.002e-22 -22.000 -21.999 0.001 (0) O(0) 1.589e-14 O2 7.943e-15 7.964e-15 -14.100 -14.099 0.001 30.40 Si 3.307e-10 @@ -10318,7 +10235,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -10352,7 +10269,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 1.530e-10 Na+ 1.530e-10 1.284e-10 -9.815 -9.891 -0.076 -1.25 - NaOH 4.068e-22 4.105e-22 -21.391 -21.387 0.004 (0) O(0) 4.982e-15 O2 2.491e-15 2.513e-15 -14.604 -14.600 0.004 30.40 Si 4.590e-10 @@ -10435,10 +10351,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 4.314 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -10472,7 +10388,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 2.135e-10 Na+ 2.135e-10 1.639e-10 -9.671 -9.786 -0.115 -1.03 - NaOH 1.600e-21 1.651e-21 -20.796 -20.782 0.014 (0) O(0) 2.875e-17 O2 1.438e-17 1.484e-17 -16.842 -16.829 0.014 30.40 Si 6.404e-10 @@ -10555,10 +10470,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.418 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -10592,7 +10507,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 2.989e-10 Na+ 2.989e-10 2.145e-10 -9.525 -9.669 -0.144 -0.63 - NaOH 6.018e-21 6.748e-21 -20.221 -20.171 0.050 (0) O(0) 6.711e-15 O2 3.355e-15 3.762e-15 -14.474 -14.425 0.050 30.40 Si 8.966e-10 @@ -10675,10 +10589,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.099 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -10712,7 +10626,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 4.195e-10 Na+ 4.195e-10 3.340e-10 -9.377 -9.476 -0.099 0.05 - NaOH 2.117e-20 3.178e-20 -19.674 -19.498 0.176 (0) O(0) 2.448e-14 O2 1.224e-14 1.837e-14 -13.912 -13.736 0.176 30.40 Si 1.258e-09 diff --git a/mytest/kinetic_rates_101.sel b/mytest/kinetic_rates_101.sel index 6107b7f1b..38b89a548 100644 --- a/mytest/kinetic_rates_101.sel +++ b/mytest/kinetic_rates_101.sel @@ -10,25 +10,25 @@ 0.000322626371 136.4966601235 0.000101154249 42.9033454084 0.000031830147 13.5205746048 - 0.000010037541 4.2674103687 - 0.000003169472 1.3483949596 + 0.000010037541 4.2674103688 + 0.000003169472 1.3483949597 0.000001001783 0.4272830009 - 0.000000317047 0.1385586988 - 0.000000100748 0.0547033164 - 0.000000319682 0.0850534093 - 0.000001012756 0.2412979608 - 0.000003206863 0.7547499482 - 0.000010158840 2.3863150830 - 0.000032219430 7.5581579207 - 0.000102411321 23.9721765067 - 0.000326795649 76.2045718500 - 0.001049944140 243.1824804036 - 0.003412861700 781.0304952262 - 0.011308631280 2533.5484658988 - 0.038583779194 8327.9883825306 - 0.136622805272 27658.3318825514 - 0.497107457053 90406.0366484830 - 1.763786311989 270844.3653829050 + 0.000000317047 0.1385586989 + 0.000000100748 0.0547033165 + 0.000000319682 0.0850534092 + 0.000001012756 0.2412979604 + 0.000003206863 0.7547499448 + 0.000010158840 2.3863150486 + 0.000032219430 7.5581575770 + 0.000102411321 23.9721730687 + 0.000326795649 76.2045374687 + 0.001049944140 243.1821370257 + 0.003412861700 781.0270838940 + 0.011308631280 2533.5152510776 + 0.038583779194 8327.6895228420 + 0.136622805272 27656.5146941542 + 0.497107457053 90420.8287487690 + 1.763786311989 271308.1208646849 1.360612168532 475717.8608065663 0.410098469224 159070.2105085291 0.122379599138 49318.4766001133 @@ -41,23 +41,23 @@ 0.000031830142 13.5205748324 0.000010037538 4.2674103764 0.000003169470 1.3483948304 - 0.000001001781 0.4272828178 + 0.000001001781 0.4272828179 0.000000317045 0.1385585019 - 0.000000100746 0.0547030689 + 0.000000100746 0.0547030690 0.000000319677 0.0850529549 - 0.000001012746 0.2412970802 - 0.000003206842 0.7547481953 - 0.000010158790 2.3863113605 - 0.000032219294 7.5581492094 - 0.000102410944 23.9721553111 - 0.000326794738 76.2045238345 - 0.001049942179 243.1823801423 - 0.003412857634 781.0302928475 - 0.011308622482 2533.5480536012 - 0.038583757519 8327.9874963815 - 0.136622746703 27658.3299671486 - 0.497107317999 90406.0337093087 - 1.763786035172 270844.3649748482 + 0.000001012746 0.2412970798 + 0.000003206842 0.7547481919 + 0.000010158790 2.3863113262 + 0.000032219294 7.5581488657 + 0.000102410944 23.9721518731 + 0.000326794738 76.2044894535 + 0.001049942179 243.1820367664 + 0.003412857634 781.0268815274 + 0.011308622482 2533.5148388645 + 0.038583757519 8327.6886372249 + 0.136622746703 27656.5127815078 + 0.497107317999 90420.8258097291 + 1.763786035172 271308.1203881076 1.360612168860 475717.8607703280 0.410098469481 159070.2104850028 0.122379599340 49318.4765847635 @@ -69,42 +69,42 @@ 0.000101154306 42.9033420365 0.000031830197 13.5205724531 0.000010037578 4.2674102857 - 0.000003169495 1.3483962723 + 0.000003169495 1.3483962724 0.000001001798 0.4272843888 0.000000317057 0.1385596286 - 0.000000100755 0.0547039493 - 0.000000319688 0.0850539412 - 0.000001012759 0.2412982570 - 0.000003206860 0.7547496682 - 0.000010158817 2.3863133773 - 0.000032219343 7.5581523292 - 0.000102411036 23.9721604421 - 0.000326794890 76.2045318401 - 0.001049942407 243.1823918288 - 0.003412857969 781.0303095243 - 0.011308622998 2533.5480778115 - 0.038583758429 8327.9875335549 - 0.136622748493 27658.3300259069 - 0.497107320996 90406.0337726421 - 1.763786039499 270844.3649830102 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 + 0.000000100755 0.0547039494 + 0.000000319688 0.0850539411 + 0.000001012759 0.2412982566 + 0.000003206860 0.7547496647 + 0.000010158817 2.3863133429 + 0.000032219343 7.5581519854 + 0.000102411036 23.9721570041 + 0.000326794890 76.2044974591 + 0.001049942407 243.1820484527 + 0.003412857969 781.0268982032 + 0.011308622998 2533.5148630703 + 0.038583758429 8327.6886743782 + 0.136622748493 27656.5128401901 + 0.497107320996 90420.8258730943 + 1.763786039499 271308.1203974175 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 diff --git a/mytest/kinetic_rates_plus.out b/mytest/kinetic_rates_plus.out index 03015d0c9..a2bcf84ba 100644 --- a/mytest/kinetic_rates_plus.out +++ b/mytest/kinetic_rates_plus.out @@ -853,7 +853,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 7.116e-11 Na+ 7.116e-11 5.392e-11 -10.148 -10.268 -0.121 -0.13 - NaOH 3.805e-35 5.205e-35 -34.420 -34.284 0.136 (0) O(0) 2.159e-14 O2 1.080e-14 1.477e-14 -13.967 -13.831 0.136 30.40 Si 2.135e-10 @@ -986,7 +985,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 4.866e-11 Na+ 4.866e-11 3.508e-11 -10.313 -10.455 -0.142 -0.71 - NaOH 1.007e-34 1.107e-34 -33.997 -33.956 0.041 (0) O(0) 2.663e-14 O2 1.332e-14 1.463e-14 -13.876 -13.835 0.041 30.40 Si 1.460e-10 @@ -1119,7 +1117,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 3.369e-11 Na+ 3.369e-11 2.607e-11 -10.472 -10.584 -0.111 -1.05 - NaOH 2.554e-34 2.627e-34 -33.593 -33.580 0.012 (0) O(0) 4.118e-15 O2 2.059e-15 2.118e-15 -14.686 -14.674 0.012 30.40 Si 1.011e-10 @@ -1252,7 +1249,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 2.344e-11 Na+ 2.344e-11 1.974e-11 -10.630 -10.705 -0.075 -1.25 - NaOH 6.258e-34 6.311e-34 -33.204 -33.200 0.004 (0) O(0) 8.911e-15 O2 4.455e-15 4.493e-15 -14.351 -14.347 0.004 30.40 Si 7.032e-11 @@ -1385,7 +1381,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 1.635e-11 Na+ 1.635e-11 1.471e-11 -10.786 -10.832 -0.046 -1.37 - NaOH 1.484e-33 1.488e-33 -32.828 -32.827 0.001 (0) O(0) 2.082e-14 O2 1.041e-14 1.044e-14 -13.983 -13.981 0.001 30.40 Si 4.905e-11 @@ -1518,7 +1513,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 1.144e-11 Na+ 1.144e-11 1.074e-11 -10.942 -10.969 -0.027 -1.44 - NaOH 3.436e-33 3.438e-33 -32.464 -32.464 0.000 (0) O(0) 3.948e-14 O2 1.974e-14 1.976e-14 -13.705 -13.704 0.000 30.40 Si 3.431e-11 @@ -1651,7 +1645,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 8.027e-12 Na+ 8.027e-12 7.743e-12 -11.095 -11.111 -0.016 -1.48 - NaOH 7.835e-33 7.837e-33 -32.106 -32.106 0.000 (0) O(0) 4.559e-15 O2 2.279e-15 2.280e-15 -14.642 -14.642 0.000 30.40 Si 2.408e-11 @@ -1784,7 +1777,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 5.663e-12 Na+ 5.663e-12 5.548e-12 -11.247 -11.256 -0.009 -1.50 - NaOH 1.776e-32 1.776e-32 -31.751 -31.751 0.000 (0) O(0) 7.676e-14 O2 3.838e-14 3.838e-14 -13.416 -13.416 0.000 30.40 Si 1.699e-11 @@ -1917,7 +1909,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 4.027e-12 Na+ 4.027e-12 3.981e-12 -11.395 -11.400 -0.005 -1.51 - NaOH 4.029e-32 4.029e-32 -31.395 -31.395 0.000 (0) O(0) 3.197e-15 O2 1.599e-15 1.599e-15 -14.796 -14.796 0.000 30.40 Si 1.208e-11 @@ -2050,7 +2041,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 2.900e-12 Na+ 2.900e-12 2.881e-12 -11.538 -11.541 -0.003 -1.51 - NaOH 9.220e-32 9.220e-32 -31.035 -31.035 0.000 (0) O(0) 4.953e-14 O2 2.477e-14 2.477e-14 -13.606 -13.606 0.000 30.40 Si 8.699e-12 @@ -2183,7 +2173,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 2.131e-12 Na+ 2.131e-12 2.123e-12 -11.671 -11.673 -0.002 -1.52 - NaOH 2.149e-31 2.149e-31 -30.668 -30.668 0.000 (0) O(0) 7.941e-15 O2 3.971e-15 3.971e-15 -14.401 -14.401 0.000 30.40 Si 6.394e-12 @@ -2316,7 +2305,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 1.622e-12 Na+ 1.622e-12 1.619e-12 -11.790 -11.791 -0.001 -1.52 - NaOH 5.181e-31 5.181e-31 -30.286 -30.286 0.000 (0) O(0) 2.347e-14 O2 1.173e-14 1.173e-14 -13.931 -13.931 0.000 30.40 Si 4.866e-12 @@ -2449,7 +2437,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 1.311e-12 Na+ 1.311e-12 1.309e-12 -11.883 -11.883 -0.001 -1.52 - NaOH 1.325e-30 1.325e-30 -29.878 -29.878 0.000 (0) O(0) 4.252e-14 O2 2.126e-14 2.126e-14 -13.672 -13.672 0.000 30.40 Si 3.932e-12 @@ -2582,7 +2569,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 1.167e-12 Na+ 1.167e-12 1.166e-12 -11.933 -11.933 -0.000 -1.52 - NaOH 3.732e-30 3.732e-30 -29.428 -29.428 0.000 (0) O(0) 4.528e-14 O2 2.264e-14 2.264e-14 -13.645 -13.645 0.000 30.40 Si 3.500e-12 @@ -2715,7 +2701,6 @@ Li 9.987e-11 Li+ 9.987e-11 9.983e-11 -10.001 -10.001 -0.000 -1.44 Na 1.191e-12 Na+ 1.191e-12 1.191e-12 -11.924 -11.924 -0.000 -1.52 - NaOH 1.205e-29 1.205e-29 -28.919 -28.919 0.000 (0) O(0) 1.310e-12 O2 6.549e-13 6.549e-13 -12.184 -12.184 0.000 30.40 Si 3.573e-12 @@ -2848,7 +2833,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 1.422e-12 Na+ 1.422e-12 1.421e-12 -11.847 -11.848 -0.000 -1.52 - NaOH 4.547e-29 4.547e-29 -28.342 -28.342 0.000 (0) O(0) 1.542e-14 O2 7.712e-15 7.712e-15 -14.113 -14.113 0.000 30.40 Si 4.265e-12 @@ -2981,7 +2965,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 1.949e-12 Na+ 1.949e-12 1.947e-12 -11.710 -11.711 -0.001 -1.52 - NaOH 1.970e-28 1.970e-28 -27.705 -27.705 0.000 (0) O(0) 1.299e-14 O2 6.497e-15 6.497e-15 -14.187 -14.187 0.000 30.40 Si 5.847e-12 @@ -3114,7 +3097,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 2.947e-12 Na+ 2.947e-12 2.941e-12 -11.531 -11.531 -0.001 -1.52 - NaOH 9.414e-28 9.414e-28 -27.026 -27.026 0.000 (0) O(0) 2.773e-14 O2 1.386e-14 1.386e-14 -13.858 -13.858 0.000 30.40 Si 8.842e-12 @@ -3247,7 +3229,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 4.728e-12 Na+ 4.728e-12 4.710e-12 -11.325 -11.327 -0.002 -1.52 - NaOH 4.767e-27 4.767e-27 -26.322 -26.322 0.000 (0) O(0) 6.855e-14 O2 3.427e-14 3.428e-14 -13.465 -13.465 0.000 30.40 Si 1.418e-11 @@ -3380,7 +3361,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 7.833e-12 Na+ 7.833e-12 7.782e-12 -11.106 -11.109 -0.003 -1.51 - NaOH 2.491e-26 2.491e-26 -25.604 -25.604 0.000 (0) O(0) 1.012e-14 O2 5.060e-15 5.060e-15 -14.296 -14.296 0.000 30.40 Si 2.350e-11 @@ -3513,7 +3493,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 1.320e-11 Na+ 1.320e-11 1.305e-11 -10.879 -10.884 -0.005 -1.51 - NaOH 1.321e-25 1.321e-25 -24.879 -24.879 0.000 (0) O(0) 1.100e-15 O2 5.501e-16 5.501e-16 -15.260 -15.260 0.000 30.40 Si 3.961e-11 @@ -3646,7 +3625,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 2.246e-11 Na+ 2.246e-11 2.200e-11 -10.649 -10.657 -0.009 -1.50 - NaOH 7.043e-25 7.043e-25 -24.152 -24.152 0.000 (0) O(0) 8.704e-15 O2 4.352e-15 4.352e-15 -14.361 -14.361 0.000 30.40 Si 6.739e-11 @@ -3779,7 +3757,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 3.840e-11 Na+ 3.840e-11 3.704e-11 -10.416 -10.431 -0.016 -1.48 - NaOH 3.748e-24 3.749e-24 -23.426 -23.426 0.000 (0) O(0) 2.079e-14 O2 1.040e-14 1.040e-14 -13.983 -13.983 0.000 30.40 Si 1.152e-10 @@ -3878,7 +3855,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -3912,7 +3889,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 6.583e-11 Na+ 6.583e-11 6.181e-11 -10.182 -10.209 -0.027 -1.44 - NaOH 1.977e-23 1.978e-23 -22.704 -22.704 0.000 (0) O(0) 2.136e-14 O2 1.068e-14 1.069e-14 -13.971 -13.971 0.000 30.40 Si 1.975e-10 @@ -4011,7 +3987,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -4045,7 +4021,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 1.130e-10 Na+ 1.130e-10 1.015e-10 -9.947 -9.993 -0.047 -1.37 - NaOH 1.024e-22 1.027e-22 -21.989 -21.988 0.001 (0) O(0) 6.257e-15 O2 3.129e-15 3.137e-15 -14.505 -14.504 0.001 30.40 Si 3.390e-10 @@ -4144,7 +4119,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -4178,7 +4153,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 1.941e-10 Na+ 1.941e-10 1.629e-10 -9.712 -9.788 -0.076 -1.25 - NaOH 5.162e-22 5.208e-22 -21.287 -21.283 0.004 (0) O(0) 9.229e-16 O2 4.615e-16 4.656e-16 -15.336 -15.332 0.004 30.40 Si 5.824e-10 @@ -4274,10 +4248,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 4.318 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -4311,7 +4285,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 3.337e-10 Na+ 3.337e-10 2.562e-10 -9.477 -9.591 -0.115 -1.03 - NaOH 2.501e-21 2.581e-21 -20.602 -20.588 0.014 (0) O(0) 2.977e-17 O2 1.489e-17 1.536e-17 -16.827 -16.814 0.014 30.40 Si 1.001e-09 @@ -4407,10 +4380,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.344 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -4444,7 +4417,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 5.737e-10 Na+ 5.737e-10 4.117e-10 -9.241 -9.385 -0.144 -0.63 - NaOH 1.155e-20 1.295e-20 -19.937 -19.888 0.050 (0) O(0) 3.398e-15 O2 1.699e-15 1.905e-15 -14.770 -14.720 0.050 30.40 Si 1.721e-09 @@ -4540,10 +4512,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.035 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -4577,7 +4549,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 9.866e-10 Na+ 9.866e-10 7.854e-10 -9.006 -9.105 -0.099 0.05 - NaOH 4.979e-20 7.473e-20 -19.303 -19.127 0.176 (0) O(0) 1.357e-14 O2 6.785e-15 1.018e-14 -14.168 -13.992 0.176 30.40 Si 2.960e-09 @@ -4736,7 +4707,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 2.507e-10 Na+ 2.507e-10 1.899e-10 -9.601 -9.721 -0.121 -0.13 - NaOH 1.340e-34 1.833e-34 -33.873 -33.737 0.136 (0) O(0) 7.261e-15 O2 3.631e-15 4.966e-15 -14.440 -14.304 0.136 30.40 Si 7.520e-10 @@ -4869,7 +4839,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 1.391e-10 Na+ 1.391e-10 1.003e-10 -9.857 -9.999 -0.142 -0.71 - NaOH 2.879e-34 3.164e-34 -33.541 -33.500 0.041 (0) O(0) 1.195e-14 O2 5.977e-15 6.569e-15 -14.224 -14.183 0.041 30.40 Si 4.172e-10 @@ -5002,7 +4971,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 7.826e-11 Na+ 7.826e-11 6.055e-11 -10.106 -10.218 -0.111 -1.05 - NaOH 5.933e-34 6.103e-34 -33.227 -33.214 0.012 (0) O(0) 6.732e-15 O2 3.366e-15 3.462e-15 -14.473 -14.461 0.012 30.40 Si 2.348e-10 @@ -5135,7 +5103,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 4.439e-11 Na+ 4.439e-11 3.739e-11 -10.353 -10.427 -0.075 -1.25 - NaOH 1.185e-33 1.195e-33 -32.926 -32.923 0.004 (0) O(0) 1.328e-14 O2 6.639e-15 6.695e-15 -14.178 -14.174 0.004 30.40 Si 1.332e-10 @@ -5268,7 +5235,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 2.541e-11 Na+ 2.541e-11 2.286e-11 -10.595 -10.641 -0.046 -1.37 - NaOH 2.307e-33 2.313e-33 -32.637 -32.636 0.001 (0) O(0) 2.758e-14 O2 1.379e-14 1.382e-14 -13.861 -13.859 0.001 30.40 Si 7.623e-11 @@ -5401,7 +5367,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 1.474e-11 Na+ 1.474e-11 1.385e-11 -10.831 -10.858 -0.027 -1.44 - NaOH 4.430e-33 4.433e-33 -32.354 -32.353 0.000 (0) O(0) 1.900e-14 O2 9.500e-15 9.507e-15 -14.022 -14.022 0.000 30.40 Si 4.423e-11 @@ -5534,7 +5499,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 8.752e-12 Na+ 8.752e-12 8.443e-12 -11.058 -11.074 -0.016 -1.48 - NaOH 8.543e-33 8.545e-33 -32.068 -32.068 0.000 (0) O(0) 1.787e-16 O2 8.935e-17 8.937e-17 -16.049 -16.049 0.000 30.40 Si 2.626e-11 @@ -5667,7 +5631,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 5.387e-12 Na+ 5.387e-12 5.278e-12 -11.269 -11.278 -0.009 -1.50 - NaOH 1.689e-32 1.689e-32 -31.772 -31.772 0.000 (0) O(0) 4.383e-14 O2 2.192e-14 2.192e-14 -13.659 -13.659 0.000 30.40 Si 1.616e-11 @@ -5800,7 +5763,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 3.501e-12 Na+ 3.501e-12 3.460e-12 -11.456 -11.461 -0.005 -1.51 - NaOH 3.502e-32 3.502e-32 -31.456 -31.456 0.000 (0) O(0) 2.924e-14 O2 1.462e-14 1.462e-14 -13.835 -13.835 0.000 30.40 Si 1.050e-11 @@ -5933,7 +5895,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 2.449e-12 Na+ 2.449e-12 2.433e-12 -11.611 -11.614 -0.003 -1.51 - NaOH 7.786e-32 7.786e-32 -31.109 -31.109 0.000 (0) O(0) 3.271e-14 O2 1.635e-14 1.635e-14 -13.786 -13.786 0.000 30.40 Si 7.346e-12 @@ -6066,7 +6027,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 1.869e-12 Na+ 1.869e-12 1.862e-12 -11.728 -11.730 -0.002 -1.52 - NaOH 1.885e-31 1.885e-31 -30.725 -30.725 0.000 (0) O(0) 1.555e-14 O2 7.773e-15 7.773e-15 -14.109 -14.109 0.000 30.40 Si 5.607e-12 @@ -6199,7 +6159,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 1.560e-12 Na+ 1.560e-12 1.557e-12 -11.807 -11.808 -0.001 -1.52 - NaOH 4.984e-31 4.984e-31 -30.302 -30.302 0.000 (0) O(0) 9.663e-14 O2 4.831e-14 4.831e-14 -13.316 -13.316 0.000 30.40 Si 4.681e-12 @@ -6332,7 +6291,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 1.411e-12 Na+ 1.411e-12 1.409e-12 -11.851 -11.851 -0.001 -1.52 - NaOH 1.426e-30 1.426e-30 -29.846 -29.846 0.000 (0) O(0) 1.411e-14 O2 7.054e-15 7.054e-15 -14.152 -14.152 0.000 30.40 Si 4.232e-12 @@ -6465,7 +6423,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 1.361e-12 Na+ 1.361e-12 1.360e-12 -11.866 -11.867 -0.000 -1.52 - NaOH 4.352e-30 4.352e-30 -29.361 -29.361 0.000 (0) O(0) 3.286e-14 O2 1.643e-14 1.643e-14 -13.784 -13.784 0.000 30.40 Si 4.082e-12 @@ -6598,7 +6555,6 @@ Li 9.986e-11 Li+ 9.986e-11 9.982e-11 -10.001 -10.001 -0.000 -1.44 Na 1.381e-12 Na+ 1.381e-12 1.380e-12 -11.860 -11.860 -0.000 -1.52 - NaOH 1.397e-29 1.397e-29 -28.855 -28.855 0.000 (0) O(0) 1.310e-12 O2 6.551e-13 6.551e-13 -12.184 -12.184 0.000 30.40 Si 4.142e-12 @@ -6731,7 +6687,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 1.460e-12 Na+ 1.460e-12 1.459e-12 -11.836 -11.836 -0.000 -1.52 - NaOH 4.669e-29 4.669e-29 -28.331 -28.331 0.000 (0) O(0) 8.016e-15 O2 4.008e-15 4.008e-15 -14.397 -14.397 0.000 30.40 Si 4.379e-12 @@ -6864,7 +6819,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 1.600e-12 Na+ 1.600e-12 1.598e-12 -11.796 -11.796 -0.001 -1.52 - NaOH 1.618e-28 1.618e-28 -27.791 -27.791 0.000 (0) O(0) 3.081e-15 O2 1.540e-15 1.540e-15 -14.812 -14.812 0.000 30.40 Si 4.801e-12 @@ -6997,7 +6951,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 1.815e-12 Na+ 1.815e-12 1.811e-12 -11.741 -11.742 -0.001 -1.52 - NaOH 5.797e-28 5.797e-28 -27.237 -27.237 0.000 (0) O(0) 9.149e-14 O2 4.574e-14 4.574e-14 -13.340 -13.340 0.000 30.40 Si 5.444e-12 @@ -7130,7 +7083,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 2.127e-12 Na+ 2.127e-12 2.119e-12 -11.672 -11.674 -0.002 -1.52 - NaOH 2.145e-27 2.145e-27 -26.669 -26.669 0.000 (0) O(0) 5.643e-14 O2 2.821e-14 2.821e-14 -13.550 -13.550 0.000 30.40 Si 6.381e-12 @@ -7263,7 +7215,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 2.573e-12 Na+ 2.573e-12 2.556e-12 -11.590 -11.592 -0.003 -1.51 - NaOH 8.181e-27 8.181e-27 -26.087 -26.087 0.000 (0) O(0) 1.645e-14 O2 8.226e-15 8.226e-15 -14.085 -14.085 0.000 30.40 Si 7.719e-12 @@ -7396,7 +7347,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 3.206e-12 Na+ 3.206e-12 3.169e-12 -11.494 -11.499 -0.005 -1.51 - NaOH 3.207e-26 3.207e-26 -25.494 -25.494 0.000 (0) O(0) 7.623e-15 O2 3.811e-15 3.812e-15 -14.419 -14.419 0.000 30.40 Si 9.618e-12 @@ -7529,7 +7479,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 4.102e-12 Na+ 4.102e-12 4.018e-12 -11.387 -11.396 -0.009 -1.50 - NaOH 1.286e-25 1.286e-25 -24.891 -24.891 0.000 (0) O(0) 7.321e-15 O2 3.660e-15 3.661e-15 -14.436 -14.436 0.000 30.40 Si 1.230e-11 @@ -7662,7 +7611,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 5.368e-12 Na+ 5.368e-12 5.176e-12 -11.270 -11.286 -0.016 -1.48 - NaOH 5.238e-25 5.239e-25 -24.281 -24.281 0.000 (0) O(0) 5.000e-14 O2 2.500e-14 2.501e-14 -13.602 -13.602 0.000 30.40 Si 1.610e-11 @@ -7761,7 +7709,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -7795,7 +7743,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 7.156e-12 Na+ 7.156e-12 6.719e-12 -11.145 -11.173 -0.027 -1.44 - NaOH 2.149e-24 2.150e-24 -23.668 -23.667 0.000 (0) O(0) 1.605e-14 O2 8.026e-15 8.032e-15 -14.096 -14.095 0.000 30.40 Si 2.147e-11 @@ -7894,7 +7841,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -7928,7 +7875,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 9.682e-12 Na+ 9.682e-12 8.698e-12 -11.014 -11.061 -0.047 -1.37 - NaOH 8.778e-24 8.801e-24 -23.057 -23.055 0.001 (0) O(0) 1.645e-14 O2 8.227e-15 8.249e-15 -14.085 -14.084 0.001 30.40 Si 2.905e-11 @@ -8027,7 +7973,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -8061,7 +8007,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 1.325e-11 Na+ 1.325e-11 1.112e-11 -10.878 -10.954 -0.076 -1.25 - NaOH 3.522e-23 3.554e-23 -22.453 -22.449 0.004 (0) O(0) 8.844e-16 O2 4.422e-16 4.461e-16 -15.354 -15.351 0.004 30.40 Si 3.974e-11 @@ -8157,10 +8102,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 4.722 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -8194,7 +8139,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 1.827e-11 Na+ 1.827e-11 1.403e-11 -10.738 -10.853 -0.115 -1.03 - NaOH 1.369e-22 1.413e-22 -21.864 -21.850 0.014 (0) O(0) 1.229e-15 O2 6.143e-16 6.339e-16 -15.212 -15.198 0.014 30.40 Si 5.481e-11 @@ -8290,10 +8234,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.646 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -8327,7 +8271,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 2.529e-11 Na+ 2.529e-11 1.815e-11 -10.597 -10.741 -0.144 -0.63 - NaOH 5.094e-22 5.711e-22 -21.293 -21.243 0.050 (0) O(0) 5.518e-14 O2 2.759e-14 3.094e-14 -13.559 -13.510 0.050 30.40 Si 7.588e-11 @@ -8423,10 +8366,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 3.976 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -8460,7 +8403,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 3.485e-11 Na+ 3.485e-11 2.774e-11 -10.458 -10.557 -0.099 0.05 - NaOH 1.758e-21 2.639e-21 -20.755 -20.578 0.176 (0) O(0) 7.845e-15 O2 3.923e-15 5.888e-15 -14.406 -14.230 0.176 30.40 Si 1.045e-10 @@ -8610,7 +8552,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 3.383e-10 Na+ 3.383e-10 2.564e-10 -9.471 -9.591 -0.121 -0.13 - NaOH 1.809e-34 2.475e-34 -33.743 -33.606 0.136 (0) O(0) 1.310e-14 O2 6.550e-15 8.960e-15 -14.184 -14.048 0.136 30.40 Si 1.015e-09 @@ -8743,7 +8684,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 1.875e-10 Na+ 1.875e-10 1.352e-10 -9.727 -9.869 -0.142 -0.71 - NaOH 3.882e-34 4.267e-34 -33.411 -33.370 0.041 (0) O(0) 2.474e-14 O2 1.237e-14 1.359e-14 -13.908 -13.867 0.041 30.40 Si 5.626e-10 @@ -8876,7 +8816,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 1.054e-10 Na+ 1.054e-10 8.153e-11 -9.977 -10.089 -0.111 -1.05 - NaOH 7.989e-34 8.218e-34 -33.097 -33.085 0.012 (0) O(0) 1.962e-14 O2 9.810e-15 1.009e-14 -14.008 -13.996 0.012 30.40 Si 3.161e-10 @@ -9009,7 +8948,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 5.963e-11 Na+ 5.963e-11 5.022e-11 -10.225 -10.299 -0.075 -1.25 - NaOH 1.592e-33 1.605e-33 -32.798 -32.794 0.004 (0) O(0) 1.559e-14 O2 7.795e-15 7.861e-15 -14.108 -14.105 0.004 30.40 Si 1.789e-10 @@ -9142,7 +9080,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 3.398e-11 Na+ 3.398e-11 3.057e-11 -10.469 -10.515 -0.046 -1.37 - NaOH 3.085e-33 3.093e-33 -32.511 -32.510 0.001 (0) O(0) 6.014e-14 O2 3.007e-14 3.015e-14 -13.522 -13.521 0.001 30.40 Si 1.019e-10 @@ -9275,7 +9212,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 1.958e-11 Na+ 1.958e-11 1.839e-11 -10.708 -10.735 -0.027 -1.44 - NaOH 5.881e-33 5.886e-33 -32.231 -32.230 0.000 (0) O(0) 2.662e-14 O2 1.331e-14 1.332e-14 -13.876 -13.876 0.000 30.40 Si 5.873e-11 @@ -9408,7 +9344,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 1.149e-11 Na+ 1.149e-11 1.108e-11 -10.940 -10.955 -0.016 -1.48 - NaOH 1.121e-32 1.122e-32 -31.950 -31.950 0.000 (0) O(0) 2.429e-15 O2 1.215e-15 1.215e-15 -14.916 -14.915 0.000 30.40 Si 3.446e-11 @@ -9541,7 +9476,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 6.952e-12 Na+ 6.952e-12 6.811e-12 -11.158 -11.167 -0.009 -1.50 - NaOH 2.180e-32 2.180e-32 -31.662 -31.662 0.000 (0) O(0) 6.285e-14 O2 3.142e-14 3.143e-14 -13.503 -13.503 0.000 30.40 Si 2.086e-11 @@ -9674,7 +9608,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 4.420e-12 Na+ 4.420e-12 4.369e-12 -11.355 -11.360 -0.005 -1.51 - NaOH 4.422e-32 4.422e-32 -31.354 -31.354 0.000 (0) O(0) 2.631e-14 O2 1.316e-14 1.316e-14 -13.881 -13.881 0.000 30.40 Si 1.326e-11 @@ -9807,7 +9740,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 3.022e-12 Na+ 3.022e-12 3.002e-12 -11.520 -11.523 -0.003 -1.51 - NaOH 9.608e-32 9.608e-32 -31.017 -31.017 0.000 (0) O(0) 3.111e-14 O2 1.555e-14 1.556e-14 -13.808 -13.808 0.000 30.40 Si 9.065e-12 @@ -9940,7 +9872,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 2.272e-12 Na+ 2.272e-12 2.263e-12 -11.644 -11.645 -0.002 -1.52 - NaOH 2.291e-31 2.291e-31 -30.640 -30.640 0.000 (0) O(0) 6.698e-14 O2 3.349e-14 3.349e-14 -13.475 -13.475 0.000 30.40 Si 6.815e-12 @@ -10073,7 +10004,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 1.901e-12 Na+ 1.901e-12 1.897e-12 -11.721 -11.722 -0.001 -1.52 - NaOH 6.072e-31 6.072e-31 -30.217 -30.217 0.000 (0) O(0) 2.354e-14 O2 1.177e-14 1.177e-14 -13.929 -13.929 0.000 30.40 Si 5.703e-12 @@ -10206,7 +10136,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 1.765e-12 Na+ 1.765e-12 1.763e-12 -11.753 -11.754 -0.001 -1.52 - NaOH 1.784e-30 1.784e-30 -29.749 -29.749 0.000 (0) O(0) 1.550e-14 O2 7.750e-15 7.750e-15 -14.111 -14.111 0.000 30.40 Si 5.295e-12 @@ -10339,7 +10268,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 1.791e-12 Na+ 1.791e-12 1.790e-12 -11.747 -11.747 -0.000 -1.52 - NaOH 5.728e-30 5.728e-30 -29.242 -29.242 0.000 (0) O(0) 2.871e-14 O2 1.435e-14 1.435e-14 -13.843 -13.843 0.000 30.40 Si 5.372e-12 @@ -10472,7 +10400,6 @@ Li 9.983e-11 Li+ 9.983e-11 9.979e-11 -10.001 -10.001 -0.000 -1.44 Na 1.949e-12 Na+ 1.949e-12 1.949e-12 -11.710 -11.710 -0.000 -1.52 - NaOH 1.972e-29 1.972e-29 -28.705 -28.705 0.000 (0) O(0) 1.310e-12 O2 6.549e-13 6.549e-13 -12.184 -12.184 0.000 30.40 Si 5.848e-12 @@ -10605,7 +10532,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 2.243e-12 Na+ 2.243e-12 2.241e-12 -11.649 -11.650 -0.000 -1.52 - NaOH 7.173e-29 7.173e-29 -28.144 -28.144 0.000 (0) O(0) 9.548e-15 O2 4.774e-15 4.774e-15 -14.321 -14.321 0.000 30.40 Si 6.728e-12 @@ -10738,7 +10664,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 2.695e-12 Na+ 2.695e-12 2.692e-12 -11.569 -11.570 -0.001 -1.52 - NaOH 2.725e-28 2.725e-28 -27.565 -27.565 0.000 (0) O(0) 2.820e-15 O2 1.410e-15 1.410e-15 -14.851 -14.851 0.000 30.40 Si 8.086e-12 @@ -10871,7 +10796,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 3.357e-12 Na+ 3.357e-12 3.350e-12 -11.474 -11.475 -0.001 -1.52 - NaOH 1.072e-27 1.072e-27 -26.970 -26.970 0.000 (0) O(0) 2.078e-18 O2 1.039e-18 1.039e-18 -17.983 -17.983 0.000 30.40 Si 1.007e-11 @@ -11004,7 +10928,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 4.303e-12 Na+ 4.303e-12 4.287e-12 -11.366 -11.368 -0.002 -1.52 - NaOH 4.339e-27 4.339e-27 -26.363 -26.363 0.000 (0) O(0) 4.299e-14 O2 2.150e-14 2.150e-14 -13.668 -13.668 0.000 30.40 Si 1.291e-11 @@ -11137,7 +11060,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 5.647e-12 Na+ 5.647e-12 5.610e-12 -11.248 -11.251 -0.003 -1.51 - NaOH 1.796e-26 1.796e-26 -25.746 -25.746 0.000 (0) O(0) 3.006e-14 O2 1.503e-14 1.503e-14 -13.823 -13.823 0.000 30.40 Si 1.694e-11 @@ -11270,7 +11192,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 7.549e-12 Na+ 7.549e-12 7.461e-12 -11.122 -11.127 -0.005 -1.51 - NaOH 7.552e-26 7.552e-26 -25.122 -25.122 0.000 (0) O(0) 8.498e-15 O2 4.249e-15 4.249e-15 -14.372 -14.372 0.000 30.40 Si 2.265e-11 @@ -11403,7 +11324,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 1.024e-11 Na+ 1.024e-11 1.003e-11 -10.990 -10.999 -0.009 -1.50 - NaOH 3.210e-25 3.210e-25 -24.494 -24.494 0.000 (0) O(0) 7.224e-15 O2 3.612e-15 3.612e-15 -14.442 -14.442 0.000 30.40 Si 3.071e-11 @@ -11536,7 +11456,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 1.404e-11 Na+ 1.404e-11 1.354e-11 -10.853 -10.868 -0.016 -1.48 - NaOH 1.370e-24 1.370e-24 -23.863 -23.863 0.000 (0) O(0) 1.697e-15 O2 8.483e-16 8.485e-16 -15.071 -15.071 0.000 30.40 Si 4.211e-11 @@ -11635,7 +11554,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -11669,7 +11588,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 1.940e-11 Na+ 1.940e-11 1.822e-11 -10.712 -10.739 -0.027 -1.44 - NaOH 5.827e-24 5.831e-24 -23.235 -23.234 0.000 (0) O(0) 3.134e-14 O2 1.567e-14 1.568e-14 -13.805 -13.805 0.000 30.40 Si 5.821e-11 @@ -11768,7 +11686,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -11802,7 +11720,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 2.698e-11 Na+ 2.698e-11 2.424e-11 -10.569 -10.615 -0.047 -1.37 - NaOH 2.446e-23 2.453e-23 -22.611 -22.610 0.001 (0) O(0) 5.545e-15 O2 2.773e-15 2.780e-15 -14.557 -14.556 0.001 30.40 Si 8.095e-11 @@ -11901,7 +11818,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -11935,7 +11852,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 3.768e-11 Na+ 3.768e-11 3.162e-11 -10.424 -10.500 -0.076 -1.25 - NaOH 1.002e-22 1.011e-22 -21.999 -21.995 0.004 (0) O(0) 6.199e-15 O2 3.099e-15 3.127e-15 -14.509 -14.505 0.004 30.40 Si 1.131e-10 @@ -12031,10 +11947,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 5.115 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -12068,7 +11984,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 5.276e-11 Na+ 5.276e-11 4.050e-11 -10.278 -10.393 -0.115 -1.03 - NaOH 3.953e-22 4.080e-22 -21.403 -21.389 0.014 (0) O(0) 4.606e-14 O2 2.303e-14 2.376e-14 -13.638 -13.624 0.014 30.40 Si 1.583e-10 @@ -12164,10 +12079,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.304 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -12201,7 +12116,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 7.383e-11 Na+ 7.383e-11 5.298e-11 -10.132 -10.276 -0.144 -0.63 - NaOH 1.487e-21 1.667e-21 -20.828 -20.778 0.050 (0) O(0) 2.365e-15 O2 1.182e-15 1.326e-15 -14.927 -14.878 0.050 30.40 Si 2.215e-10 @@ -12297,10 +12211,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.120 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -12334,7 +12248,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 1.025e-10 Na+ 1.025e-10 8.159e-11 -9.989 -10.088 -0.099 0.05 - NaOH 5.172e-21 7.763e-21 -20.286 -20.110 0.176 (0) O(0) 2.953e-14 O2 1.477e-14 2.216e-14 -13.831 -13.654 0.176 30.40 Si 3.075e-10 @@ -12484,7 +12397,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 5.606e-11 Na+ 5.606e-11 4.248e-11 -10.251 -10.372 -0.121 -0.13 - NaOH 2.998e-35 4.100e-35 -34.523 -34.387 0.136 (0) O(0) 7.650e-15 O2 3.825e-15 5.232e-15 -14.417 -14.281 0.136 30.40 Si 1.682e-10 @@ -12617,7 +12529,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 4.094e-11 Na+ 4.094e-11 2.952e-11 -10.388 -10.530 -0.142 -0.71 - NaOH 8.476e-35 9.315e-35 -34.072 -34.031 0.041 (0) O(0) 1.559e-14 O2 7.797e-15 8.569e-15 -14.108 -14.067 0.041 30.40 Si 1.228e-10 @@ -12750,7 +12661,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 3.075e-11 Na+ 3.075e-11 2.379e-11 -10.512 -10.624 -0.111 -1.05 - NaOH 2.332e-34 2.398e-34 -33.632 -33.620 0.012 (0) O(0) 2.024e-14 O2 1.012e-14 1.041e-14 -13.995 -13.983 0.012 30.40 Si 9.226e-11 @@ -12883,7 +12793,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 2.366e-11 Na+ 2.366e-11 1.993e-11 -10.626 -10.701 -0.075 -1.25 - NaOH 6.317e-34 6.370e-34 -33.199 -33.196 0.004 (0) O(0) 1.520e-14 O2 7.601e-15 7.665e-15 -14.119 -14.115 0.004 30.40 Si 7.099e-11 @@ -13016,7 +12925,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 1.868e-11 Na+ 1.868e-11 1.681e-11 -10.729 -10.775 -0.046 -1.37 - NaOH 1.696e-33 1.700e-33 -32.771 -32.769 0.001 (0) O(0) 7.077e-14 O2 3.538e-14 3.547e-14 -13.451 -13.450 0.001 30.40 Si 5.605e-11 @@ -13149,7 +13057,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 1.518e-11 Na+ 1.518e-11 1.426e-11 -10.819 -10.846 -0.027 -1.44 - NaOH 4.561e-33 4.565e-33 -32.341 -32.341 0.000 (0) O(0) 4.001e-14 O2 2.001e-14 2.002e-14 -13.699 -13.698 0.000 30.40 Si 4.555e-11 @@ -13282,7 +13189,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 1.274e-11 Na+ 1.274e-11 1.229e-11 -10.895 -10.911 -0.016 -1.48 - NaOH 1.243e-32 1.244e-32 -31.905 -31.905 0.000 (0) O(0) 3.152e-15 O2 1.576e-15 1.576e-15 -14.802 -14.802 0.000 30.40 Si 3.821e-11 @@ -13415,7 +13321,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 1.105e-11 Na+ 1.105e-11 1.082e-11 -10.957 -10.966 -0.009 -1.50 - NaOH 3.464e-32 3.465e-32 -31.460 -31.460 0.000 (0) O(0) 4.754e-14 O2 2.377e-14 2.377e-14 -13.624 -13.624 0.000 30.40 Si 3.315e-11 @@ -13548,7 +13453,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 9.914e-12 Na+ 9.914e-12 9.800e-12 -11.004 -11.009 -0.005 -1.51 - NaOH 9.919e-32 9.919e-32 -31.004 -31.004 0.000 (0) O(0) 1.927e-14 O2 9.636e-15 9.636e-15 -14.016 -14.016 0.000 30.40 Si 2.974e-11 @@ -13681,7 +13585,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 9.196e-12 Na+ 9.196e-12 9.136e-12 -11.036 -11.039 -0.003 -1.51 - NaOH 2.924e-31 2.924e-31 -30.534 -30.534 0.000 (0) O(0) 5.213e-14 O2 2.607e-14 2.607e-14 -13.584 -13.584 0.000 30.40 Si 2.759e-11 @@ -13814,7 +13717,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 8.807e-12 Na+ 8.807e-12 8.775e-12 -11.055 -11.057 -0.002 -1.52 - NaOH 8.881e-31 8.881e-31 -30.052 -30.052 0.000 (0) O(0) 1.798e-14 O2 8.991e-15 8.991e-15 -14.046 -14.046 0.000 30.40 Si 2.642e-11 @@ -13947,7 +13849,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 8.702e-12 Na+ 8.702e-12 8.684e-12 -11.060 -11.061 -0.001 -1.52 - NaOH 2.779e-30 2.779e-30 -29.556 -29.556 0.000 (0) O(0) 2.654e-14 O2 1.327e-14 1.327e-14 -13.877 -13.877 0.000 30.40 Si 2.611e-11 @@ -14080,7 +13981,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 8.867e-12 Na+ 8.867e-12 8.856e-12 -11.052 -11.053 -0.001 -1.52 - NaOH 8.964e-30 8.964e-30 -29.048 -29.048 0.000 (0) O(0) 2.246e-14 O2 1.123e-14 1.123e-14 -13.950 -13.950 0.000 30.40 Si 2.660e-11 @@ -14213,7 +14113,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 9.322e-12 Na+ 9.322e-12 9.316e-12 -11.031 -11.031 -0.000 -1.52 - NaOH 2.982e-29 2.982e-29 -28.526 -28.526 0.000 (0) O(0) 8.261e-15 O2 4.131e-15 4.131e-15 -14.384 -14.384 0.000 30.40 Si 2.797e-11 @@ -14346,7 +14245,6 @@ Li 9.937e-11 Li+ 9.937e-11 9.933e-11 -10.003 -10.003 -0.000 -1.44 Na 1.012e-11 Na+ 1.012e-11 1.012e-11 -10.995 -10.995 -0.000 -1.52 - NaOH 1.024e-28 1.024e-28 -27.990 -27.990 0.000 (0) O(0) 1.309e-12 O2 6.546e-13 6.546e-13 -12.184 -12.184 0.000 30.40 Si 3.037e-11 @@ -14479,7 +14377,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 1.136e-11 Na+ 1.136e-11 1.136e-11 -10.944 -10.945 -0.000 -1.52 - NaOH 3.635e-28 3.635e-28 -27.440 -27.440 0.000 (0) O(0) 4.921e-14 O2 2.461e-14 2.461e-14 -13.609 -13.609 0.000 30.40 Si 3.409e-11 @@ -14612,7 +14509,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 1.320e-11 Na+ 1.320e-11 1.318e-11 -10.880 -10.880 -0.001 -1.52 - NaOH 1.334e-27 1.334e-27 -26.875 -26.875 0.000 (0) O(0) 5.904e-15 O2 2.952e-15 2.952e-15 -14.530 -14.530 0.000 30.40 Si 3.959e-11 @@ -14745,7 +14641,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 1.584e-11 Na+ 1.584e-11 1.581e-11 -10.800 -10.801 -0.001 -1.52 - NaOH 5.059e-27 5.059e-27 -26.296 -26.296 0.000 (0) O(0) 1.044e-15 O2 5.219e-16 5.219e-16 -15.282 -15.282 0.000 30.40 Si 4.752e-11 @@ -14878,7 +14773,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 1.962e-11 Na+ 1.962e-11 1.954e-11 -10.707 -10.709 -0.002 -1.52 - NaOH 1.978e-26 1.978e-26 -25.704 -25.704 0.000 (0) O(0) 5.096e-14 O2 2.548e-14 2.548e-14 -13.594 -13.594 0.000 30.40 Si 5.885e-11 @@ -15011,7 +14905,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 2.498e-11 Na+ 2.498e-11 2.481e-11 -10.602 -10.605 -0.003 -1.51 - NaOH 7.941e-26 7.941e-26 -25.100 -25.100 0.000 (0) O(0) 2.789e-14 O2 1.394e-14 1.394e-14 -13.856 -13.856 0.000 30.40 Si 7.493e-11 @@ -15144,7 +15037,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 3.257e-11 Na+ 3.257e-11 3.219e-11 -10.487 -10.492 -0.005 -1.51 - NaOH 3.258e-25 3.258e-25 -24.487 -24.487 0.000 (0) O(0) 5.348e-15 O2 2.674e-15 2.674e-15 -14.573 -14.573 0.000 30.40 Si 9.770e-11 @@ -15277,7 +15169,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 4.330e-11 Na+ 4.330e-11 4.242e-11 -10.363 -10.372 -0.009 -1.50 - NaOH 1.358e-24 1.358e-24 -23.867 -23.867 0.000 (0) O(0) 1.392e-13 O2 6.962e-14 6.962e-14 -13.157 -13.157 0.000 30.40 Si 1.299e-10 @@ -15410,7 +15301,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 5.848e-11 Na+ 5.848e-11 5.640e-11 -10.233 -10.249 -0.016 -1.48 - NaOH 5.707e-24 5.708e-24 -23.244 -23.244 0.000 (0) O(0) 2.572e-15 O2 1.286e-15 1.287e-15 -14.891 -14.891 0.000 30.40 Si 1.754e-10 @@ -15509,7 +15399,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -15543,7 +15433,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 7.992e-11 Na+ 7.992e-11 7.505e-11 -10.097 -10.125 -0.027 -1.44 - NaOH 2.400e-23 2.402e-23 -22.620 -22.619 0.000 (0) O(0) 4.887e-14 O2 2.443e-14 2.445e-14 -13.612 -13.612 0.000 30.40 Si 2.398e-10 @@ -15642,7 +15531,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -15676,7 +15565,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 1.102e-10 Na+ 1.102e-10 9.902e-11 -9.958 -10.004 -0.047 -1.37 - NaOH 9.992e-23 1.002e-22 -22.000 -21.999 0.001 (0) O(0) 1.588e-14 O2 7.942e-15 7.963e-15 -14.100 -14.099 0.001 30.40 Si 3.307e-10 @@ -15775,7 +15663,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -15809,7 +15697,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 1.530e-10 Na+ 1.530e-10 1.284e-10 -9.815 -9.891 -0.076 -1.25 - NaOH 4.068e-22 4.105e-22 -21.391 -21.387 0.004 (0) O(0) 4.982e-15 O2 2.491e-15 2.513e-15 -14.604 -14.600 0.004 30.40 Si 4.590e-10 @@ -15905,10 +15792,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 4.314 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -15942,7 +15829,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 2.135e-10 Na+ 2.135e-10 1.639e-10 -9.671 -9.786 -0.115 -1.03 - NaOH 1.600e-21 1.651e-21 -20.796 -20.782 0.014 (0) O(0) 2.871e-17 O2 1.436e-17 1.481e-17 -16.843 -16.829 0.014 30.40 Si 6.404e-10 @@ -16038,10 +15924,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.418 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -16075,7 +15961,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 2.989e-10 Na+ 2.989e-10 2.145e-10 -9.525 -9.669 -0.144 -0.63 - NaOH 6.018e-21 6.748e-21 -20.221 -20.171 0.050 (0) O(0) 6.711e-15 O2 3.355e-15 3.762e-15 -14.474 -14.425 0.050 30.40 Si 8.966e-10 @@ -16171,10 +16056,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.099 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -16208,7 +16093,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 4.195e-10 Na+ 4.195e-10 3.340e-10 -9.377 -9.476 -0.099 0.05 - NaOH 2.117e-20 3.178e-20 -19.674 -19.498 0.176 (0) O(0) 2.448e-14 O2 1.224e-14 1.837e-14 -13.912 -13.736 0.176 30.40 Si 1.258e-09 @@ -17499,7 +17383,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 2 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89003 + Viscosity (mPa s) = 0.89005 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.940e-06 Mass of water (kg) = 1.000e+00 @@ -17574,7 +17458,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 3 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89012 + Viscosity (mPa s) = 0.89017 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.500e-05 Mass of water (kg) = 1.000e+00 @@ -17657,7 +17541,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 19 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89033 + Viscosity (mPa s) = 0.89036 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.864e-04 Mass of water (kg) = 1.000e+00 @@ -18507,7 +18391,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 2 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89014 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.416e-05 Mass of water (kg) = 1.000e+00 @@ -18590,7 +18474,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 13 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89027 + Viscosity (mPa s) = 0.89033 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.942e-04 Mass of water (kg) = 1.000e+00 @@ -18673,7 +18557,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 22 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89036 + Viscosity (mPa s) = 0.89037 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.253e-04 Mass of water (kg) = 1.000e+00 @@ -18922,7 +18806,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 35 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89047 + Viscosity (mPa s) = 0.89048 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.848e-04 Mass of water (kg) = 1.000e+00 @@ -19431,7 +19315,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 8 Density (g/cm³) = 0.99705 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.199e-05 Mass of water (kg) = 1.000e+00 @@ -19506,7 +19390,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 12 Density (g/cm³) = 0.99706 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89025 + Viscosity (mPa s) = 0.89049 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.772e-04 Mass of water (kg) = 1.000e+00 @@ -19589,7 +19473,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 84 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89084 + Viscosity (mPa s) = 0.89150 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.274e-03 Mass of water (kg) = 1.000e+00 @@ -19672,7 +19556,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 130 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89114 + Viscosity (mPa s) = 0.89171 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.997e-03 Mass of water (kg) = 1.000e+00 @@ -19755,7 +19639,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 160 Density (g/cm³) = 0.99715 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89133 + Viscosity (mPa s) = 0.89173 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.467e-03 Mass of water (kg) = 1.000e+00 @@ -19838,7 +19722,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 178 Density (g/cm³) = 0.99716 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89144 + Viscosity (mPa s) = 0.89172 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.755e-03 Mass of water (kg) = 1.000e+00 @@ -19921,7 +19805,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 188 Density (g/cm³) = 0.99717 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89150 + Viscosity (mPa s) = 0.89171 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.912e-03 Mass of water (kg) = 1.000e+00 @@ -20004,7 +19888,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 193 Density (g/cm³) = 0.99717 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89153 + Viscosity (mPa s) = 0.89170 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.985e-03 Mass of water (kg) = 1.000e+00 @@ -20087,7 +19971,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 195 Density (g/cm³) = 0.99718 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89154 + Viscosity (mPa s) = 0.89170 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.015e-03 Mass of water (kg) = 1.000e+00 @@ -20170,7 +20054,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 195 Density (g/cm³) = 0.99718 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89154 + Viscosity (mPa s) = 0.89170 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.026e-03 Mass of water (kg) = 1.000e+00 @@ -20253,7 +20137,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 196 Density (g/cm³) = 0.99718 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89155 + Viscosity (mPa s) = 0.89169 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.030e-03 Mass of water (kg) = 1.000e+00 @@ -20336,7 +20220,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 196 Density (g/cm³) = 0.99718 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89155 + Viscosity (mPa s) = 0.89169 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.031e-03 Mass of water (kg) = 1.000e+00 @@ -20439,7 +20323,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99706 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89016 + Viscosity (mPa s) = 0.89033 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.083e-05 Mass of water (kg) = 1.000e+00 @@ -20522,7 +20406,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 27 Density (g/cm³) = 0.99707 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89041 + Viscosity (mPa s) = 0.89082 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.124e-04 Mass of water (kg) = 1.000e+00 @@ -20605,7 +20489,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 42 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89053 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.398e-04 Mass of water (kg) = 1.000e+00 @@ -20688,7 +20572,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 55 Density (g/cm³) = 0.99709 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89064 + Viscosity (mPa s) = 0.89124 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.403e-04 Mass of water (kg) = 1.000e+00 @@ -20771,7 +20655,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 67 Density (g/cm³) = 0.99709 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89072 + Viscosity (mPa s) = 0.89137 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.025e-03 Mass of water (kg) = 1.000e+00 @@ -20854,7 +20738,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 79 Density (g/cm³) = 0.99710 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.199e-03 Mass of water (kg) = 1.000e+00 @@ -20937,7 +20821,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 89 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89088 + Viscosity (mPa s) = 0.89154 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.363e-03 Mass of water (kg) = 1.000e+00 @@ -21020,7 +20904,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 99 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89094 + Viscosity (mPa s) = 0.89160 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.519e-03 Mass of water (kg) = 1.000e+00 @@ -21103,7 +20987,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 109 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89101 + Viscosity (mPa s) = 0.89164 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.668e-03 Mass of water (kg) = 1.000e+00 @@ -21186,7 +21070,7 @@ Kinetics 1. Specific Conductance (µS/cm, 25°C) = 118 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89106 + Viscosity (mPa s) = 0.89167 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.809e-03 Mass of water (kg) = 1.000e+00 @@ -21266,10 +21150,10 @@ Kinetics 1. pH = 6.791 Charge balance pe = 11.211 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 127 + Specific Conductance (µS/cm, 25°C) = 126 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89112 + Viscosity (mPa s) = 0.89170 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.943e-03 Mass of water (kg) = 1.000e+00 @@ -24668,7 +24552,7 @@ Initial solution 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.041e-18 + Total alkalinity (eq/kg) = -1.294e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -1.306e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -24691,7 +24575,6 @@ H(0) 1.462e-25 H2 7.309e-26 7.359e-26 -25.136 -25.133 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 2.519e-19 2.537e-19 -18.599 -18.596 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.118 -42.115 0.003 30.40 @@ -24736,7 +24619,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = -1.261 Adjusted to redox equilibrium + pe = -1.257 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00347 @@ -24744,9 +24627,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.821e-18 + Total alkalinity (eq/kg) = -2.251e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.073e-17 + Electrical balance (eq) = -3.111e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 44 Total H = 1.110124e+02 @@ -24763,13 +24646,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 8.997e-10 9.265e-10 -9.046 -9.033 0.013 (0) -H(0) 5.246e-15 - H2 2.623e-15 2.641e-15 -14.581 -14.578 0.003 28.61 +H(0) 5.154e-15 + H2 2.577e-15 2.595e-15 -14.589 -14.586 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 2.423e-19 2.440e-19 -18.616 -18.613 0.003 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.228 -63.225 0.003 30.40 + O2 0.000e+00 0.000e+00 -63.212 -63.209 0.003 30.40 Si 5.525e-06 H4SiO4 5.516e-06 5.554e-06 -5.258 -5.255 0.003 52.08 H3SiO4- 9.119e-09 7.727e-09 -8.040 -8.112 -0.072 28.11 @@ -24782,10 +24664,10 @@ Si 5.525e-06 Chalcedony -1.70 -5.25 -3.55 SiO2 Cristobalite -2.10 -5.25 -3.16 SiO2 Fix_pH -6.97 -6.97 0.00 H+ - H2(g) -11.48 -14.58 -3.10 H2 + H2(g) -11.48 -14.59 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -60.33 -63.22 -2.89 O2 + O2(g) -60.32 -63.21 -2.89 O2 Quartz -1.27 -5.25 -3.98 SiO2 SiO2(a) -2.54 -5.25 -2.71 SiO2 @@ -24816,7 +24698,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.882 Charge balance - pe = 10.982 Adjusted to redox equilibrium + pe = 11.046 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00347 @@ -24824,11 +24706,11 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.802e-18 + Total alkalinity (eq/kg) = 1.380e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.251e-17 + Electrical balance (eq) = -3.637e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 94 + Iterations = 97 Total H = 1.110124e+02 Total O = 5.550631e+01 @@ -24843,13 +24725,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.113e-09 1.146e-09 -8.953 -8.941 0.013 (0) -H(0) 2.624e-39 - H2 1.312e-39 1.321e-39 -38.882 -38.879 0.003 28.61 +H(0) 1.960e-39 + H2 9.802e-40 9.870e-40 -39.009 -39.006 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.959e-19 1.972e-19 -18.708 -18.705 0.003 (0) -O(0) 4.735e-15 - O2 2.367e-15 2.384e-15 -14.626 -14.623 0.003 30.40 +O(0) 8.483e-15 + O2 4.241e-15 4.271e-15 -14.373 -14.370 0.003 30.40 Si 4.480e-05 H4SiO4 4.474e-05 4.505e-05 -4.349 -4.346 0.003 52.08 H3SiO4- 5.978e-08 5.065e-08 -7.223 -7.295 -0.072 28.11 @@ -24862,10 +24743,10 @@ Si 4.480e-05 Chalcedony -0.79 -4.35 -3.55 SiO2 Cristobalite -1.19 -4.35 -3.16 SiO2 Fix_pH -6.88 -6.88 0.00 H+ - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -35.90 -39.01 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -11.73 -14.62 -2.89 O2 + O2(g) -11.48 -14.37 -2.89 O2 Quartz -0.36 -4.35 -3.98 SiO2 SiO2(a) -1.63 -4.35 -2.71 SiO2 @@ -24896,7 +24777,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.843 Charge balance - pe = 11.156 Adjusted to redox equilibrium + pe = 11.195 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00347 @@ -24904,9 +24785,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.386e-18 + Total alkalinity (eq/kg) = 3.030e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.073e-17 + Electrical balance (eq) = -5.040e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.110124e+02 @@ -24923,13 +24804,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.218e-09 1.254e-09 -8.914 -8.902 0.013 (0) -H(0) 1.412e-39 - H2 7.062e-40 7.111e-40 -39.151 -39.148 0.003 28.61 +H(0) 1.178e-39 + H2 5.892e-40 5.933e-40 -39.230 -39.227 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.790e-19 1.803e-19 -18.747 -18.744 0.003 (0) -O(0) 1.634e-14 - O2 8.171e-15 8.227e-15 -14.088 -14.085 0.003 30.40 +O(0) 2.348e-14 + O2 1.174e-14 1.182e-14 -13.930 -13.927 0.003 30.40 Si 6.707e-05 H4SiO4 6.699e-05 6.745e-05 -4.174 -4.171 0.003 52.08 H3SiO4- 8.182e-08 6.933e-08 -7.087 -7.159 -0.072 28.11 @@ -24942,10 +24822,10 @@ Si 6.707e-05 Chalcedony -0.62 -4.17 -3.55 SiO2 Cristobalite -1.01 -4.17 -3.16 SiO2 Fix_pH -6.84 -6.84 0.00 H+ - H2(g) -36.05 -39.15 -3.10 H2 + H2(g) -36.13 -39.23 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -11.19 -14.08 -2.89 O2 + O2(g) -11.04 -13.93 -2.89 O2 Quartz -0.19 -4.17 -3.98 SiO2 SiO2(a) -1.46 -4.17 -2.71 SiO2 @@ -24976,7 +24856,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.823 Charge balance - pe = 11.150 Adjusted to redox equilibrium + pe = 11.190 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00347 @@ -24984,9 +24864,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.487e-18 + Total alkalinity (eq/kg) = -3.166e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.836e-17 + Electrical balance (eq) = -5.485e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.110124e+02 @@ -25003,13 +24883,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.277e-09 1.315e-09 -8.894 -8.881 0.013 (0) -H(0) 1.592e-39 - H2 7.958e-40 8.013e-40 -39.099 -39.096 0.003 28.61 +H(0) 1.327e-39 + H2 6.637e-40 6.683e-40 -39.178 -39.175 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.708e-19 1.720e-19 -18.768 -18.765 0.003 (0) -O(0) 1.287e-14 - O2 6.435e-15 6.479e-15 -14.191 -14.188 0.003 30.40 +O(0) 1.850e-14 + O2 9.250e-15 9.314e-15 -14.034 -14.031 0.003 30.40 Si 8.052e-05 H4SiO4 8.043e-05 8.099e-05 -4.095 -4.092 0.003 52.08 H3SiO4- 9.370e-08 7.939e-08 -7.028 -7.100 -0.072 28.11 @@ -25022,10 +24901,10 @@ Si 8.052e-05 Chalcedony -0.54 -4.09 -3.55 SiO2 Cristobalite -0.93 -4.09 -3.16 SiO2 Fix_pH -6.82 -6.82 0.00 H+ - H2(g) -36.00 -39.10 -3.10 H2 + H2(g) -36.07 -39.18 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -11.30 -14.19 -2.89 O2 + O2(g) -11.14 -14.03 -2.89 O2 Quartz -0.11 -4.09 -3.98 SiO2 SiO2(a) -1.38 -4.09 -2.71 SiO2 @@ -25056,7 +24935,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.811 Charge balance - pe = 11.239 Adjusted to redox equilibrium + pe = 11.271 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00348 @@ -25064,9 +24943,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.375e-17 + Total alkalinity (eq/kg) = 4.246e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.463e-17 + Electrical balance (eq) = -5.460e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.110124e+02 @@ -25083,13 +24962,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.312e-09 1.351e-09 -8.882 -8.869 0.013 (0) -H(0) 1.116e-39 - H2 5.581e-40 5.619e-40 -39.253 -39.250 0.003 28.61 +H(0) 9.641e-40 + H2 4.821e-40 4.854e-40 -39.317 -39.314 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.662e-19 1.673e-19 -18.779 -18.776 0.003 (0) -O(0) 2.617e-14 - O2 1.308e-14 1.317e-14 -13.883 -13.880 0.003 30.40 +O(0) 3.507e-14 + O2 1.754e-14 1.766e-14 -13.756 -13.753 0.003 30.40 Si 8.890e-05 H4SiO4 8.880e-05 8.942e-05 -4.052 -4.049 0.003 52.08 H3SiO4- 1.007e-07 8.529e-08 -6.997 -7.069 -0.072 28.11 @@ -25102,10 +24980,10 @@ Si 8.890e-05 Chalcedony -0.50 -4.05 -3.55 SiO2 Cristobalite -0.89 -4.05 -3.16 SiO2 Fix_pH -6.81 -6.81 0.00 H+ - H2(g) -36.15 -39.25 -3.10 H2 + H2(g) -36.21 -39.31 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -10.99 -13.88 -2.89 O2 + O2(g) -10.86 -13.75 -2.89 O2 Quartz -0.07 -4.05 -3.98 SiO2 SiO2(a) -1.34 -4.05 -2.71 SiO2 @@ -25136,7 +25014,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.804 Charge balance - pe = 11.239 Adjusted to redox equilibrium + pe = 11.279 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00348 @@ -25144,9 +25022,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.001e-17 + Total alkalinity (eq/kg) = 3.962e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.280e-17 + Electrical balance (eq) = -4.382e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 @@ -25163,13 +25041,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.334e-09 1.374e-09 -8.875 -8.862 0.013 (0) -H(0) 1.153e-39 - H2 5.765e-40 5.805e-40 -39.239 -39.236 0.003 28.61 +H(0) 9.595e-40 + H2 4.798e-40 4.831e-40 -39.319 -39.316 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.634e-19 1.646e-19 -18.787 -18.784 0.003 (0) -O(0) 2.452e-14 - O2 1.226e-14 1.234e-14 -13.912 -13.909 0.003 30.40 +O(0) 3.541e-14 + O2 1.770e-14 1.783e-14 -13.752 -13.749 0.003 30.40 Si 9.421e-05 H4SiO4 9.410e-05 9.475e-05 -4.026 -4.023 0.003 52.08 H3SiO4- 1.049e-07 8.889e-08 -6.979 -7.051 -0.072 28.11 @@ -25182,10 +25059,10 @@ Si 9.421e-05 Chalcedony -0.47 -4.02 -3.55 SiO2 Cristobalite -0.86 -4.02 -3.16 SiO2 Fix_pH -6.80 -6.80 0.00 H+ - H2(g) -36.14 -39.24 -3.10 H2 + H2(g) -36.21 -39.32 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -11.02 -13.91 -2.89 O2 + O2(g) -10.86 -13.75 -2.89 O2 Quartz -0.04 -4.02 -3.98 SiO2 SiO2(a) -1.31 -4.02 -2.71 SiO2 @@ -25216,7 +25093,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.799 Charge balance - pe = 11.233 Adjusted to redox equilibrium + pe = 11.280 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00348 @@ -25224,9 +25101,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.749e-18 + Total alkalinity (eq/kg) = 2.899e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.681e-17 + Electrical balance (eq) = -4.131e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.110124e+02 @@ -25243,13 +25120,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.348e-09 1.388e-09 -8.870 -8.858 0.013 (0) -H(0) 1.214e-39 - H2 6.069e-40 6.111e-40 -39.217 -39.214 0.003 28.61 +H(0) 9.759e-40 + H2 4.879e-40 4.913e-40 -39.312 -39.309 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.617e-19 1.629e-19 -18.791 -18.788 0.003 (0) -O(0) 2.213e-14 - O2 1.106e-14 1.114e-14 -13.956 -13.953 0.003 30.40 +O(0) 3.423e-14 + O2 1.712e-14 1.723e-14 -13.767 -13.764 0.003 30.40 Si 9.760e-05 H4SiO4 9.749e-05 9.817e-05 -4.011 -4.008 0.003 52.08 H3SiO4- 1.076e-07 9.115e-08 -6.968 -7.040 -0.072 28.11 @@ -25262,10 +25138,10 @@ Si 9.760e-05 Chalcedony -0.46 -4.01 -3.55 SiO2 Cristobalite -0.85 -4.01 -3.16 SiO2 Fix_pH -6.80 -6.80 0.00 H+ - H2(g) -36.11 -39.21 -3.10 H2 + H2(g) -36.21 -39.31 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -11.06 -13.95 -2.89 O2 + O2(g) -10.87 -13.76 -2.89 O2 Quartz -0.03 -4.01 -3.98 SiO2 SiO2(a) -1.30 -4.01 -2.71 SiO2 @@ -25296,7 +25172,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.796 Charge balance - pe = 11.264 Adjusted to redox equilibrium + pe = 11.284 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00348 @@ -25304,9 +25180,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.439e-18 + Total alkalinity (eq/kg) = -1.193e-18 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.205e-17 + Electrical balance (eq) = -5.569e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.110124e+02 @@ -25323,13 +25199,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.357e-09 1.397e-09 -8.867 -8.855 0.013 (0) -H(0) 1.064e-39 - H2 5.320e-40 5.357e-40 -39.274 -39.271 0.003 28.61 +H(0) 9.712e-40 + H2 4.856e-40 4.889e-40 -39.314 -39.311 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.607e-19 1.618e-19 -18.794 -18.791 0.003 (0) -O(0) 2.879e-14 - O2 1.440e-14 1.450e-14 -13.842 -13.839 0.003 30.40 +O(0) 3.456e-14 + O2 1.728e-14 1.740e-14 -13.762 -13.759 0.003 30.40 Si 9.978e-05 H4SiO4 9.967e-05 1.004e-04 -4.001 -3.998 0.003 52.08 H3SiO4- 1.093e-07 9.258e-08 -6.962 -7.033 -0.072 28.11 @@ -25342,10 +25217,10 @@ Si 9.978e-05 Chalcedony -0.45 -4.00 -3.55 SiO2 Cristobalite -0.84 -4.00 -3.16 SiO2 Fix_pH -6.80 -6.80 0.00 H+ - H2(g) -36.17 -39.27 -3.10 H2 + H2(g) -36.21 -39.31 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -10.95 -13.84 -2.89 O2 + O2(g) -10.87 -13.76 -2.89 O2 Quartz -0.02 -4.00 -3.98 SiO2 SiO2(a) -1.29 -4.00 -2.71 SiO2 @@ -25376,7 +25251,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.794 Charge balance - pe = 11.276 Adjusted to redox equilibrium + pe = 11.273 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00348 @@ -25384,9 +25259,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.635e-16 + Total alkalinity (eq/kg) = 3.488e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.078e-16 + Electrical balance (eq) = -3.770e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -25403,13 +25278,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.362e-09 1.403e-09 -8.866 -8.853 0.013 (0) -H(0) 1.018e-39 - H2 5.091e-40 5.126e-40 -39.293 -39.290 0.003 28.61 +H(0) 1.032e-39 + H2 5.160e-40 5.195e-40 -39.287 -39.284 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.600e-19 1.611e-19 -18.796 -18.793 0.003 (0) -O(0) 3.145e-14 - O2 1.572e-14 1.583e-14 -13.803 -13.800 0.003 30.40 +O(0) 3.061e-14 + O2 1.531e-14 1.541e-14 -13.815 -13.812 0.003 30.40 Si 1.012e-04 H4SiO4 1.011e-04 1.018e-04 -3.995 -3.992 0.003 52.08 H3SiO4- 1.103e-07 9.350e-08 -6.957 -7.029 -0.072 28.11 @@ -25422,10 +25296,10 @@ Si 1.012e-04 Chalcedony -0.44 -3.99 -3.55 SiO2 Cristobalite -0.83 -3.99 -3.16 SiO2 Fix_pH -6.79 -6.79 0.00 H+ - H2(g) -36.19 -39.29 -3.10 H2 + H2(g) -36.18 -39.28 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -10.91 -13.80 -2.89 O2 + O2(g) -10.92 -13.81 -2.89 O2 Quartz -0.01 -3.99 -3.98 SiO2 SiO2(a) -1.28 -3.99 -2.71 SiO2 @@ -25456,7 +25330,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.793 Charge balance - pe = 11.301 Adjusted to redox equilibrium + pe = 11.318 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00348 @@ -25464,9 +25338,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.226e-16 + Total alkalinity (eq/kg) = 4.088e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.695e-16 + Electrical balance (eq) = -4.251e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -25483,13 +25357,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.366e-09 1.407e-09 -8.865 -8.852 0.013 (0) -H(0) 9.123e-40 - H2 4.562e-40 4.593e-40 -39.341 -39.338 0.003 28.61 +H(0) 8.425e-40 + H2 4.212e-40 4.242e-40 -39.375 -39.372 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.596e-19 1.607e-19 -18.797 -18.794 0.003 (0) -O(0) 3.917e-14 - O2 1.958e-14 1.972e-14 -13.708 -13.705 0.003 30.40 +O(0) 4.593e-14 + O2 2.297e-14 2.312e-14 -13.639 -13.636 0.003 30.40 Si 1.021e-04 H4SiO4 1.020e-04 1.027e-04 -3.991 -3.988 0.003 52.08 H3SiO4- 1.110e-07 9.409e-08 -6.954 -7.026 -0.072 28.11 @@ -25502,10 +25375,10 @@ Si 1.021e-04 Chalcedony -0.44 -3.99 -3.55 SiO2 Cristobalite -0.83 -3.99 -3.16 SiO2 Fix_pH -6.79 -6.79 0.00 H+ - H2(g) -36.24 -39.34 -3.10 H2 + H2(g) -36.27 -39.37 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -10.81 -13.71 -2.89 O2 + O2(g) -10.74 -13.64 -2.89 O2 Quartz -0.01 -3.99 -3.98 SiO2 SiO2(a) -1.28 -3.99 -2.71 SiO2 @@ -25536,7 +25409,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.793 Charge balance - pe = 11.303 Adjusted to redox equilibrium + pe = 11.320 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00348 @@ -25544,9 +25417,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.306e-16 + Total alkalinity (eq/kg) = 4.175e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.805e-16 + Electrical balance (eq) = -4.328e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+02 @@ -25563,13 +25436,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 1.369e-09 1.409e-09 -8.864 -8.851 0.013 (0) -H(0) 9.072e-40 - H2 4.536e-40 4.567e-40 -39.343 -39.340 0.003 28.61 +H(0) 8.382e-40 + H2 4.191e-40 4.220e-40 -39.378 -39.375 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.593e-19 1.604e-19 -18.798 -18.795 0.003 (0) -O(0) 3.961e-14 - O2 1.981e-14 1.994e-14 -13.703 -13.700 0.003 30.40 +O(0) 4.640e-14 + O2 2.320e-14 2.336e-14 -13.635 -13.632 0.003 30.40 Si 1.027e-04 H4SiO4 1.026e-04 1.033e-04 -3.989 -3.986 0.003 52.08 H3SiO4- 1.115e-07 9.447e-08 -6.953 -7.025 -0.072 28.11 @@ -25582,10 +25454,10 @@ Si 1.027e-04 Chalcedony -0.43 -3.99 -3.55 SiO2 Cristobalite -0.83 -3.99 -3.16 SiO2 Fix_pH -6.79 -6.79 0.00 H+ - H2(g) -36.24 -39.34 -3.10 H2 + H2(g) -36.27 -39.37 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -10.81 -13.70 -2.89 O2 + O2(g) -10.74 -13.63 -2.89 O2 Quartz -0.00 -3.99 -3.98 SiO2 SiO2(a) -1.27 -3.99 -2.71 SiO2 @@ -25636,7 +25508,7 @@ Kinetics 1. ----------------------------Description of solution---------------------------- pH = 6.947 Charge balance - pe = 10.994 Adjusted to redox equilibrium + pe = 10.996 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 3396 Density (g/cm³) = 0.99829 Volume (L) = 1.00347 @@ -25644,9 +25516,9 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.145e-17 + Total alkalinity (eq/kg) = 4.266e-17 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.307e-16 + Electrical balance (eq) = -1.313e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 44 Total H = 1.110124e+02 @@ -25663,13 +25535,12 @@ Kinetics 1. Cl 3.000e-02 Cl- 3.000e-02 2.538e-02 -1.523 -1.596 -0.073 18.21 HCl 9.597e-10 9.884e-10 -9.018 -9.005 0.013 (0) -H(0) 1.848e-39 - H2 9.241e-40 9.305e-40 -39.034 -39.031 0.003 28.61 +H(0) 1.834e-39 + H2 9.172e-40 9.236e-40 -39.038 -39.035 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 2.272e-19 2.287e-19 -18.644 -18.641 0.003 (0) -O(0) 9.543e-15 - O2 4.771e-15 4.804e-15 -14.321 -14.318 0.003 30.40 +O(0) 9.688e-15 + O2 4.844e-15 4.877e-15 -14.315 -14.312 0.003 30.40 Si 1.574e-05 H4SiO4 1.571e-05 1.582e-05 -4.804 -4.801 0.003 52.08 H3SiO4- 2.435e-08 2.063e-08 -7.614 -7.685 -0.072 28.11 @@ -25685,7 +25556,7 @@ Si 1.574e-05 H2(g) -35.93 -39.03 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.76 -3.19 1.57 NaCl - O2(g) -11.43 -14.32 -2.89 O2 + O2(g) -11.42 -14.31 -2.89 O2 Quartz -0.82 -4.80 -3.98 SiO2 SiO2(a) -2.09 -4.80 -2.71 SiO2 @@ -25724,7 +25595,7 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.232e-16 + Total alkalinity (eq/kg) = 7.230e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -8.923e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25747,7 +25618,6 @@ H(0) 1.819e-39 H2 9.094e-40 9.157e-40 -39.041 -39.038 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.673e-19 1.684e-19 -18.777 -18.774 0.003 (0) O(0) 9.855e-15 O2 4.928e-15 4.962e-15 -14.307 -14.304 0.003 30.40 Si 8.679e-05 @@ -25804,7 +25674,7 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.111e-16 + Total alkalinity (eq/kg) = 8.110e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -9.912e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -25827,7 +25697,6 @@ H(0) 8.837e-40 H2 4.419e-40 4.449e-40 -39.355 -39.352 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.603e-19 1.615e-19 -18.795 -18.792 0.003 (0) O(0) 4.174e-14 O2 2.087e-14 2.101e-14 -13.680 -13.677 0.003 30.40 Si 1.005e-04 @@ -25907,7 +25776,6 @@ H(0) 8.576e-40 H2 4.288e-40 4.318e-40 -39.368 -39.365 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.591e-19 1.602e-19 -18.798 -18.795 0.003 (0) O(0) 4.433e-14 O2 2.216e-14 2.232e-14 -13.654 -13.651 0.003 30.40 Si 1.032e-04 @@ -25987,7 +25855,6 @@ H(0) 9.145e-40 H2 4.573e-40 4.604e-40 -39.340 -39.337 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.589e-19 1.600e-19 -18.799 -18.796 0.003 (0) O(0) 3.898e-14 O2 1.949e-14 1.962e-14 -13.710 -13.707 0.003 30.40 Si 1.037e-04 @@ -26067,7 +25934,6 @@ H(0) 8.624e-40 H2 4.312e-40 4.342e-40 -39.365 -39.362 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.588e-19 1.599e-19 -18.799 -18.796 0.003 (0) O(0) 4.383e-14 O2 2.192e-14 2.207e-14 -13.659 -13.656 0.003 30.40 Si 1.038e-04 @@ -26124,7 +25990,7 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.355e-15 + Total alkalinity (eq/kg) = 1.354e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.617e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26147,7 +26013,6 @@ H(0) 9.228e-40 H2 4.614e-40 4.646e-40 -39.336 -39.333 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.588e-19 1.599e-19 -18.799 -18.796 0.003 (0) O(0) 3.828e-14 O2 1.914e-14 1.927e-14 -13.718 -13.715 0.003 30.40 Si 1.038e-04 @@ -26204,7 +26069,7 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.426e-15 + Total alkalinity (eq/kg) = 1.425e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.684e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26227,7 +26092,6 @@ H(0) 9.041e-40 H2 4.521e-40 4.552e-40 -39.345 -39.342 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.588e-19 1.599e-19 -18.799 -18.796 0.003 (0) O(0) 3.988e-14 O2 1.994e-14 2.008e-14 -13.700 -13.697 0.003 30.40 Si 1.038e-04 @@ -26284,7 +26148,7 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.426e-15 + Total alkalinity (eq/kg) = 1.425e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.684e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26307,7 +26171,6 @@ H(0) 9.041e-40 H2 4.521e-40 4.552e-40 -39.345 -39.342 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.588e-19 1.599e-19 -18.799 -18.796 0.003 (0) O(0) 3.988e-14 O2 1.994e-14 2.008e-14 -13.700 -13.697 0.003 30.40 Si 1.038e-04 @@ -26364,7 +26227,7 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.426e-15 + Total alkalinity (eq/kg) = 1.425e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.684e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26387,7 +26250,6 @@ H(0) 9.041e-40 H2 4.521e-40 4.552e-40 -39.345 -39.342 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.588e-19 1.599e-19 -18.799 -18.796 0.003 (0) O(0) 3.988e-14 O2 1.994e-14 2.008e-14 -13.700 -13.697 0.003 30.40 Si 1.038e-04 @@ -26444,7 +26306,7 @@ Kinetics 1. Activity of water = 0.999 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.426e-15 + Total alkalinity (eq/kg) = 1.425e-15 Temperature (°C) = 25.00 Electrical balance (eq) = -1.684e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -26467,7 +26329,6 @@ H(0) 9.041e-40 H2 4.521e-40 4.552e-40 -39.345 -39.342 0.003 28.61 Na 3.000e-02 Na+ 3.000e-02 2.558e-02 -1.523 -1.592 -0.069 -1.28 - NaOH 1.588e-19 1.599e-19 -18.799 -18.796 0.003 (0) O(0) 3.988e-14 O2 1.994e-14 2.008e-14 -13.700 -13.697 0.003 30.40 Si 1.038e-04 @@ -26630,7 +26491,7 @@ Montmorillonite(MgNa) -0.40 3.01 3.41 4.000e-01 3.998e-01 -2.36 ----------------------------Description of solution---------------------------- pH = 9.571 Charge balance - pe = 8.569 Adjusted to redox equilibrium + pe = 8.477 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 20 Density (g/cm³) = 0.99708 Volume (L) = 1.00297 @@ -26640,9 +26501,9 @@ Montmorillonite(MgNa) -0.40 3.01 3.41 4.000e-01 3.998e-01 -2.36 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.321e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.354e-15 + Electrical balance (eq) = -3.017e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 16 Total H = 1.110121e+02 Total O = 5.550724e+01 @@ -26663,8 +26524,8 @@ Al 1.273e-06 Ca 7.382e-05 Ca+2 7.377e-05 6.815e-05 -4.132 -4.167 -0.034 -18.19 CaOH+ 4.295e-08 4.210e-08 -7.367 -7.376 -0.009 (0) -H(0) 7.452e-40 - H2 3.726e-40 3.726e-40 -39.429 -39.429 0.000 28.61 +H(0) 1.136e-39 + H2 5.680e-40 5.680e-40 -39.246 -39.246 0.000 28.61 K 2.062e-07 K+ 2.062e-07 2.021e-07 -6.686 -6.694 -0.009 9.00 Mg 1.103e-10 @@ -26672,9 +26533,8 @@ Mg 1.103e-10 MgOH+ 1.387e-12 1.360e-12 -11.858 -11.866 -0.009 (0) Na 8.046e-05 Na+ 8.046e-05 7.888e-05 -4.094 -4.103 -0.009 -1.50 - NaOH 2.972e-19 2.972e-19 -18.527 -18.527 0.000 (0) -O(0) 6.005e-14 - O2 3.002e-14 3.003e-14 -13.523 -13.523 0.000 30.40 +O(0) 2.584e-14 + O2 1.292e-14 1.292e-14 -13.889 -13.889 0.000 30.40 Si 5.250e-04 H4SiO4 3.365e-04 3.365e-04 -3.473 -3.473 0.000 52.08 H3SiO4- 1.884e-04 1.847e-04 -3.725 -3.733 -0.009 27.96 @@ -26715,7 +26575,7 @@ Si 5.250e-04 Gibbsite -0.92 7.19 8.11 Al(OH)3 Glaucophane -12.06 24.97 37.03 Na2(Mg3Al2)Si8O22(OH)2 Grossular -0.48 48.89 49.37 Ca3Al2Si3O12 - H2(g) -36.33 -39.43 -3.10 H2 + H2(g) -36.14 -39.25 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Heulandite(Ca) 5.13 7.59 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O Heulandite(Na) 0.47 3.26 2.80 Na2.14Al2.14Si6.86O18:6.17H2O @@ -26747,7 +26607,7 @@ Si 5.250e-04 Muscovite 2.68 14.03 11.35 KAl2(AlSi3)O10(OH)2 Natrolite -4.43 14.90 19.33 Na2(Al2Si3)O10:2H2O Nepheline -4.89 9.19 14.08 Na(AlSi)O4 - O2(g) -10.63 -13.52 -2.89 O2 + O2(g) -11.00 -13.89 -2.89 O2 Oligoclase -20.92 -20.92 0.00 Na0.8Ca0.2Si2.8Al1.2O8 Palygorskite 4.89 4.89 0.00 Mg2Al2Si8O20(OH)2:8H2O Paragonite -0.18 16.62 16.80 NaAl2(AlSi3)O10(OH)2 @@ -26873,7 +26733,7 @@ Mixture 1. ----------------------------Description of solution---------------------------- pH = 7.415 Charge balance - pe = -1.519 Adjusted to redox equilibrium + pe = -1.518 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -26883,7 +26743,7 @@ Mixture 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.321e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.436e-16 + Electrical balance (eq) = -1.372e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -26906,8 +26766,8 @@ Al 1.273e-09 Ca 7.381e-08 Ca+2 7.381e-08 7.361e-08 -7.132 -7.133 -0.001 -18.25 CaOH+ 3.181e-13 3.178e-13 -12.497 -12.498 -0.000 (0) -H(0) 2.287e-15 - H2 1.144e-15 1.144e-15 -14.942 -14.942 0.000 28.61 +H(0) 2.274e-15 + H2 1.137e-15 1.137e-15 -14.944 -14.944 0.000 28.61 K 2.062e-10 K+ 2.062e-10 2.060e-10 -9.686 -9.686 -0.000 8.98 Mg 1.103e-13 @@ -26915,9 +26775,8 @@ Mg 1.103e-13 MgOH+ 1.040e-17 1.039e-17 -16.983 -16.983 -0.000 (0) Na 8.046e-08 Na+ 8.046e-08 8.041e-08 -7.094 -7.095 -0.000 -1.52 - NaOH 2.117e-24 2.117e-24 -23.674 -23.674 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.497 -62.497 0.000 30.40 + O2 0.000e+00 0.000e+00 -62.491 -62.491 0.000 30.40 Si 5.250e-07 H4SiO4 5.230e-07 5.230e-07 -6.281 -6.281 0.000 52.08 H3SiO4- 2.008e-09 2.006e-09 -8.697 -8.698 -0.000 27.94 @@ -26990,7 +26849,7 @@ Si 5.250e-07 Muscovite -13.44 -2.09 11.35 KAl2(AlSi3)O10(OH)2 Natrolite -24.84 -5.52 19.33 Na2(Al2Si3)O10:2H2O Nepheline -13.69 0.38 14.08 Na(AlSi)O4 - O2(g) -59.60 -62.50 -2.89 O2 + O2(g) -59.60 -62.49 -2.89 O2 Oligoclase -35.38 -35.38 0.00 Na0.8Ca0.2Si2.8Al1.2O8 Palygorskite -33.82 -33.82 0.00 Mg2Al2Si8O20(OH)2:8H2O Paragonite -16.30 0.51 16.80 NaAl2(AlSi3)O10(OH)2 @@ -27132,7 +26991,7 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.349e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.348e-16 + Electrical balance (eq) = -1.284e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.110124e+02 @@ -27155,8 +27014,8 @@ Al 2.038e-09 Ca 5.662e-10 Ca+2 5.662e-10 5.648e-10 -9.247 -9.248 -0.001 -18.25 CaOH+ 2.438e-15 2.437e-15 -14.613 -14.613 -0.000 (0) -H(0) 2.021e-14 - H2 1.011e-14 1.011e-14 -13.995 -13.995 0.000 28.61 +H(0) 2.020e-14 + H2 1.010e-14 1.010e-14 -13.996 -13.996 0.000 28.61 K 5.818e-10 K+ 5.818e-10 5.815e-10 -9.235 -9.235 -0.000 8.98 Mg 8.354e-16 @@ -27164,7 +27023,6 @@ Mg 8.354e-16 MgOH+ 7.869e-20 7.865e-20 -19.104 -19.104 -0.000 (0) Na 2.271e-07 Na+ 2.271e-07 2.269e-07 -6.644 -6.644 -0.000 -1.52 - NaOH 5.970e-24 5.970e-24 -23.224 -23.224 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.389 -64.389 0.000 30.40 Si 5.269e-07 @@ -27296,10 +27154,10 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.996e-03 1.358e-03 3.996e-01 -0.000 - Ca0.17X_montm_mg 3.002e-03 1.021e-03 3.002e-01 -0.000 - K0.34X_montm_mg 2.002e-03 6.808e-04 2.002e-01 -0.000 - Mg0.17X_montm_mg 1.000e-03 3.401e-04 1.000e-01 -0.000 + Na0.34X_montm_mg 3.996e-03 1.358e-03 3.996e-01 0.000 + Ca0.17X_montm_mg 3.002e-03 1.021e-03 3.002e-01 0.000 + K0.34X_montm_mg 2.002e-03 6.808e-04 2.002e-01 0.000 + Mg0.17X_montm_mg 1.000e-03 3.401e-04 1.000e-01 0.000 -----------------------------Solution composition------------------------------ @@ -27325,7 +27183,7 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.441e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.349e-16 + Electrical balance (eq) = -1.285e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -27348,8 +27206,8 @@ Al 4.588e-09 Ca 5.739e-10 Ca+2 5.739e-10 5.725e-10 -9.241 -9.242 -0.001 -18.25 CaOH+ 2.464e-15 2.462e-15 -14.608 -14.609 -0.000 (0) -H(0) 4.262e-14 - H2 2.131e-14 2.131e-14 -13.671 -13.671 0.000 28.61 +H(0) 4.261e-14 + H2 2.130e-14 2.130e-14 -13.672 -13.672 0.000 28.61 K 5.858e-10 K+ 5.858e-10 5.855e-10 -9.232 -9.233 -0.000 8.98 Mg 8.468e-16 @@ -27357,7 +27215,6 @@ Mg 8.468e-16 MgOH+ 7.953e-20 7.948e-20 -19.099 -19.100 -0.000 (0) Na 2.286e-07 Na+ 2.286e-07 2.285e-07 -6.641 -6.641 -0.000 -1.52 - NaOH 5.993e-24 5.993e-24 -23.222 -23.222 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.037 -65.037 0.000 30.40 Si 5.330e-07 @@ -27508,7 +27365,7 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 7.400 Charge balance - pe = -2.294 Adjusted to redox equilibrium + pe = -2.293 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -27518,7 +27375,7 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.363e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.349e-16 + Electrical balance (eq) = -1.285e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -27541,7 +27398,7 @@ Al 3.009e-08 Ca 6.543e-10 Ca+2 6.543e-10 6.527e-10 -9.184 -9.185 -0.001 -18.25 CaOH+ 2.723e-15 2.722e-15 -14.565 -14.565 -0.000 (0) -H(0) 8.665e-14 +H(0) 8.663e-14 H2 4.332e-14 4.332e-14 -13.363 -13.363 0.000 28.61 K 6.255e-10 K+ 6.255e-10 6.251e-10 -9.204 -9.204 -0.000 8.98 @@ -27550,7 +27407,6 @@ Mg 9.656e-16 MgOH+ 8.792e-20 8.787e-20 -19.056 -19.056 -0.000 (0) Na 2.441e-07 Na+ 2.441e-07 2.439e-07 -6.612 -6.613 -0.000 -1.52 - NaOH 6.204e-24 6.204e-24 -23.207 -23.207 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.653 -65.653 0.000 30.40 Si 5.944e-07 @@ -27711,7 +27567,7 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.125e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.870e-16 + Electrical balance (eq) = -1.806e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -27734,8 +27590,8 @@ Al 1.065e-07 Ca 9.263e-10 Ca+2 9.263e-10 9.238e-10 -9.033 -9.034 -0.001 -18.25 CaOH+ 3.506e-15 3.504e-15 -14.455 -14.455 -0.000 (0) -H(0) 7.931e-14 - H2 3.966e-14 3.966e-14 -13.402 -13.402 0.000 28.61 +H(0) 7.930e-14 + H2 3.965e-14 3.965e-14 -13.402 -13.402 0.000 28.61 K 7.442e-10 K+ 7.442e-10 7.437e-10 -9.128 -9.129 -0.000 8.98 Mg 1.368e-15 @@ -27743,9 +27599,8 @@ Mg 1.368e-15 MgOH+ 1.132e-19 1.132e-19 -18.946 -18.946 -0.000 (0) Na 2.904e-07 Na+ 2.904e-07 2.902e-07 -6.537 -6.537 -0.000 -1.52 - NaOH 6.712e-24 6.712e-24 -23.173 -23.173 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.577 -65.577 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.576 -65.576 0.000 30.40 Si 7.786e-07 H4SiO4 7.760e-07 7.760e-07 -6.110 -6.110 0.000 52.08 H3SiO4- 2.616e-09 2.615e-09 -8.582 -8.583 -0.000 27.94 @@ -27875,10 +27730,10 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.995e-03 1.358e-03 3.995e-01 -0.000 - Ca0.17X_montm_mg 3.002e-03 1.021e-03 3.002e-01 -0.000 - K0.34X_montm_mg 2.002e-03 6.808e-04 2.002e-01 -0.000 - Mg0.17X_montm_mg 1.001e-03 3.402e-04 1.001e-01 -0.000 + Na0.34X_montm_mg 3.995e-03 1.358e-03 3.995e-01 0.000 + Ca0.17X_montm_mg 3.002e-03 1.021e-03 3.002e-01 0.000 + K0.34X_montm_mg 2.002e-03 6.808e-04 2.002e-01 0.000 + Mg0.17X_montm_mg 1.001e-03 3.402e-04 1.001e-01 0.000 -----------------------------Solution composition------------------------------ @@ -27904,7 +27759,7 @@ X_montm_mg 1.000e-02 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.530e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.076e-16 + Electrical balance (eq) = -2.012e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110124e+02 @@ -27927,8 +27782,8 @@ Al 3.605e-07 Ca 2.164e-09 Ca+2 2.164e-09 2.156e-09 -8.665 -8.666 -0.001 -18.25 CaOH+ 5.887e-15 5.882e-15 -14.230 -14.230 -0.000 (0) -H(0) 9.602e-14 - H2 4.801e-14 4.801e-14 -13.319 -13.319 0.000 28.61 +H(0) 9.600e-14 + H2 4.800e-14 4.800e-14 -13.319 -13.319 0.000 28.61 K 1.137e-09 K+ 1.137e-09 1.136e-09 -8.944 -8.945 -0.000 8.98 Mg 3.201e-15 @@ -27936,7 +27791,6 @@ Mg 3.201e-15 MgOH+ 1.905e-19 1.903e-19 -18.720 -18.721 -0.000 (0) Na 4.436e-07 Na+ 4.436e-07 4.432e-07 -6.353 -6.353 -0.000 -1.52 - NaOH 7.372e-24 7.372e-24 -23.132 -23.132 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.743 -65.743 0.000 30.40 Si 1.391e-06 @@ -28059,7 +27913,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 0.000e+00 1.611e-07 1.611e-07 +Kaolinite -0.00 7.43 7.43 0.000e+00 1.611e-07 1.611e-07 -----------------------------Exchange composition------------------------------ @@ -28097,7 +27951,7 @@ X_montm_mg 9.999e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.294e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.219e-16 + Electrical balance (eq) = -3.155e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -28120,8 +27974,8 @@ Al 7.937e-07 Ca 8.800e-09 Ca+2 8.800e-09 8.759e-09 -8.056 -8.058 -0.002 -18.25 CaOH+ 2.842e-14 2.839e-14 -13.546 -13.547 -0.001 (0) -H(0) 8.176e-14 - H2 4.088e-14 4.088e-14 -13.388 -13.388 0.000 28.61 +H(0) 8.174e-14 + H2 4.087e-14 4.087e-14 -13.389 -13.389 0.000 28.61 K 2.293e-09 K+ 2.293e-09 2.290e-09 -8.640 -8.640 -0.001 8.98 Mg 1.309e-14 @@ -28129,7 +27983,6 @@ Mg 1.309e-14 MgOH+ 9.246e-19 9.235e-19 -18.034 -18.035 -0.001 (0) Na 8.934e-07 Na+ 8.934e-07 8.923e-07 -6.049 -6.049 -0.001 -1.52 - NaOH 1.764e-23 1.764e-23 -22.754 -22.754 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.603 -65.603 0.000 30.40 Si 2.889e-06 @@ -28180,7 +28033,7 @@ Si 2.889e-06 Jadeite -8.14 -0.58 7.56 NaAl(SiO3)2 K-feldspar -10.81 -31.38 -20.57 KAlSi3O8 K-mica -2.90 9.80 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Kyanite -2.96 12.98 15.94 Al2SiO5 Labradorite -30.34 -30.34 0.00 Na0.4Ca0.6Si2.4Al1.6O8 Larnite(alpha) -31.54 7.51 39.04 Ca2SiO4 @@ -28261,10 +28114,10 @@ X_montm_mg 9.998e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.989e-03 1.356e-03 3.990e-01 -0.000 - Ca0.17X_montm_mg 3.002e-03 1.021e-03 3.002e-01 -0.000 - K0.34X_montm_mg 2.002e-03 6.808e-04 2.003e-01 -0.000 - Mg0.17X_montm_mg 1.005e-03 3.416e-04 1.005e-01 -0.000 + Na0.34X_montm_mg 3.989e-03 1.356e-03 3.990e-01 0.000 + Ca0.17X_montm_mg 3.002e-03 1.021e-03 3.002e-01 0.000 + K0.34X_montm_mg 2.002e-03 6.808e-04 2.003e-01 0.000 + Mg0.17X_montm_mg 1.005e-03 3.416e-04 1.005e-01 0.000 -----------------------------Solution composition------------------------------ @@ -28290,7 +28143,7 @@ X_montm_mg 9.998e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.991e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.549e-16 + Electrical balance (eq) = -1.485e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 31 Total H = 1.110124e+02 @@ -28313,8 +28166,8 @@ Al 1.489e-06 Ca 6.340e-08 Ca+2 6.340e-08 6.292e-08 -7.198 -7.201 -0.003 -18.25 CaOH+ 9.835e-13 9.816e-13 -12.007 -12.008 -0.001 (0) -H(0) 8.384e-14 - H2 4.192e-14 4.192e-14 -13.378 -13.378 0.000 28.61 +H(0) 8.382e-14 + H2 4.191e-14 4.191e-14 -13.378 -13.378 0.000 28.61 K 6.151e-09 K+ 6.151e-09 6.140e-09 -8.211 -8.212 -0.001 8.98 Mg 9.614e-14 @@ -28322,7 +28175,6 @@ Mg 9.614e-14 MgOH+ 3.262e-17 3.255e-17 -16.487 -16.487 -0.001 (0) Na 2.389e-06 Na+ 2.389e-06 2.385e-06 -5.622 -5.623 -0.001 -1.52 - NaOH 2.269e-22 2.269e-22 -21.644 -21.644 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.625 -65.625 0.000 30.40 Si 7.276e-06 @@ -28506,8 +28358,8 @@ Al 2.444e-06 Ca 5.186e-07 Ca+2 5.185e-07 5.116e-07 -6.285 -6.291 -0.006 -18.24 CaOH+ 3.533e-11 3.521e-11 -10.452 -10.453 -0.001 (0) -H(0) 3.516e-14 - H2 1.758e-14 1.758e-14 -13.755 -13.755 0.000 28.61 +H(0) 3.514e-14 + H2 1.757e-14 1.757e-14 -13.755 -13.755 0.000 28.61 K 1.761e-08 K+ 1.761e-08 1.755e-08 -7.754 -7.756 -0.001 8.98 Mg 8.408e-13 @@ -28515,7 +28367,6 @@ Mg 8.408e-13 MgOH+ 1.251e-15 1.247e-15 -14.903 -14.904 -0.001 (0) Na 6.776e-06 Na+ 6.776e-06 6.753e-06 -5.169 -5.171 -0.001 -1.52 - NaOH 2.834e-21 2.834e-21 -20.548 -20.548 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.870 -64.870 0.000 30.40 Si 2.041e-05 @@ -28558,7 +28409,7 @@ Si 2.041e-05 Gibbsite 0.32 8.43 8.11 Al(OH)3 Glaucophane -35.53 1.49 37.03 Na2(Mg3Al2)Si8O22(OH)2 Grossular -13.82 35.55 49.37 Ca3Al2Si3O12 - H2(g) -10.65 -13.75 -3.10 H2 + H2(g) -10.65 -13.76 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Heulandite(Ca) -5.05 -2.59 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O Heulandite(Na) -9.72 -6.93 2.80 Na2.14Al2.14Si6.86O18:6.17H2O @@ -28676,7 +28527,7 @@ X_montm_mg 9.973e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.612e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.507e-14 + Electrical balance (eq) = -4.506e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 32 Total H = 1.110124e+02 @@ -28699,8 +28550,8 @@ Al 2.787e-06 Ca 4.246e-06 Ca+2 4.245e-06 4.134e-06 -5.372 -5.384 -0.011 -18.23 CaOH+ 9.373e-10 9.312e-10 -9.028 -9.031 -0.003 (0) -H(0) 4.881e-14 - H2 2.441e-14 2.441e-14 -13.613 -13.613 0.000 28.61 +H(0) 4.879e-14 + H2 2.439e-14 2.439e-14 -13.613 -13.613 0.000 28.61 K 5.131e-08 K+ 5.131e-08 5.098e-08 -7.290 -7.293 -0.003 8.98 Mg 9.004e-12 @@ -28708,7 +28559,6 @@ Mg 9.004e-12 MgOH+ 4.329e-14 4.301e-14 -13.364 -13.366 -0.003 (0) Na 1.922e-05 Na+ 1.922e-05 1.909e-05 -4.716 -4.719 -0.003 -1.51 - NaOH 2.622e-20 2.622e-20 -19.581 -19.581 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.155 -65.155 0.000 30.40 Si 6.647e-05 @@ -28831,7 +28681,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.43 7.43 2.101e-05 7.422e-05 5.321e-05 +Kaolinite -0.00 7.43 7.43 2.101e-05 7.422e-05 5.321e-05 -----------------------------Exchange composition------------------------------ @@ -28840,10 +28690,10 @@ X_montm_mg 9.909e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.859e-03 1.312e-03 3.894e-01 -0.000 - Ca0.17X_montm_mg 2.867e-03 9.748e-04 2.893e-01 -0.000 - K0.34X_montm_mg 2.002e-03 6.806e-04 2.020e-01 -0.000 - Mg0.17X_montm_mg 1.182e-03 4.017e-04 1.192e-01 -0.000 + Na0.34X_montm_mg 3.859e-03 1.312e-03 3.894e-01 0.000 + Ca0.17X_montm_mg 2.867e-03 9.748e-04 2.893e-01 0.000 + K0.34X_montm_mg 2.002e-03 6.806e-04 2.020e-01 0.000 + Mg0.17X_montm_mg 1.182e-03 4.017e-04 1.192e-01 0.000 -----------------------------Solution composition------------------------------ @@ -28892,8 +28742,8 @@ Al 2.061e-06 Ca 2.295e-05 Ca+2 2.294e-05 2.183e-05 -4.639 -4.661 -0.022 -18.22 CaOH+ 1.008e-08 9.952e-09 -7.997 -8.002 -0.005 (0) -H(0) 4.972e-14 - H2 2.486e-14 2.486e-14 -13.605 -13.605 0.000 28.61 +H(0) 4.969e-14 + H2 2.484e-14 2.485e-14 -13.605 -13.605 0.000 28.61 K 1.324e-07 K+ 1.324e-07 1.308e-07 -6.878 -6.883 -0.005 8.99 Mg 1.193e-10 @@ -28901,9 +28751,8 @@ Mg 1.193e-10 MgOH+ 1.136e-12 1.122e-12 -11.945 -11.950 -0.005 (0) Na 4.668e-05 Na+ 4.668e-05 4.610e-05 -4.331 -4.336 -0.005 -1.51 - NaOH 1.282e-19 1.282e-19 -18.892 -18.892 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.171 -65.171 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.171 -65.170 0.000 30.40 Si 2.147e-04 H4SiO4 1.523e-04 1.523e-04 -3.817 -3.817 0.000 52.08 H3SiO4- 6.246e-05 6.168e-05 -4.204 -4.210 -0.005 27.95 @@ -28952,7 +28801,7 @@ Si 2.147e-04 Jadeite -2.56 5.00 7.56 NaAl(SiO3)2 K-feldspar -3.45 -24.03 -20.57 KAlSi3O8 K-mica 1.01 13.71 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Kyanite -4.68 11.25 15.94 Al2SiO5 Labradorite -22.80 -22.80 0.00 Na0.4Ca0.6Si2.4Al1.6O8 Larnite(alpha) -14.43 24.62 39.04 Ca2SiO4 @@ -29085,8 +28934,8 @@ Al 1.620e-06 Ca 4.228e-05 Ca+2 4.225e-05 3.963e-05 -4.374 -4.402 -0.028 -18.20 CaOH+ 2.217e-08 2.182e-08 -7.654 -7.661 -0.007 (0) -H(0) 6.448e-14 - H2 3.224e-14 3.224e-14 -13.492 -13.492 0.000 28.61 +H(0) 6.445e-14 + H2 3.222e-14 3.222e-14 -13.492 -13.492 0.000 28.61 K 2.017e-07 K+ 2.017e-07 1.985e-07 -6.695 -6.702 -0.007 8.99 Mg 4.876e-10 @@ -29094,9 +28943,8 @@ Mg 4.876e-10 MgOH+ 5.534e-12 5.447e-12 -11.257 -11.264 -0.007 (0) Na 6.780e-05 Na+ 6.780e-05 6.672e-05 -4.169 -4.176 -0.007 -1.50 - NaOH 2.240e-19 2.240e-19 -18.650 -18.650 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.397 -65.397 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.396 -65.396 0.000 30.40 Si 3.516e-04 H4SiO4 2.348e-04 2.348e-04 -3.629 -3.629 0.000 52.08 H3SiO4- 1.167e-04 1.149e-04 -3.933 -3.940 -0.007 27.96 @@ -29278,8 +29126,8 @@ Al 1.414e-06 Ca 5.552e-05 Ca+2 5.548e-05 5.163e-05 -4.256 -4.287 -0.031 -18.20 CaOH+ 3.107e-08 3.052e-08 -7.508 -7.515 -0.008 (0) -H(0) 3.583e-14 - H2 1.791e-14 1.791e-14 -13.747 -13.747 0.000 28.61 +H(0) 3.581e-14 + H2 1.790e-14 1.790e-14 -13.747 -13.747 0.000 28.61 K 2.509e-07 K+ 2.509e-07 2.464e-07 -6.600 -6.608 -0.008 8.99 Mg 1.075e-09 @@ -29287,7 +29135,6 @@ Mg 1.075e-09 MgOH+ 1.301e-11 1.278e-11 -10.886 -10.894 -0.008 (0) Na 8.171e-05 Na+ 8.171e-05 8.025e-05 -4.088 -4.096 -0.008 -1.50 - NaOH 2.893e-19 2.893e-19 -18.539 -18.539 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.886 -64.886 0.000 30.40 Si 4.442e-04 @@ -29415,7 +29262,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.43 7.43 1.562e-04 1.788e-04 2.261e-05 +Kaolinite 0.00 7.44 7.43 1.562e-04 1.788e-04 2.261e-05 -----------------------------Exchange composition------------------------------ @@ -29424,10 +29271,10 @@ X_montm_mg 9.784e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.728e-03 1.267e-03 3.810e-01 0.000 - Ca0.17X_montm_mg 2.622e-03 8.916e-04 2.680e-01 0.000 - K0.34X_montm_mg 2.001e-03 6.805e-04 2.046e-01 0.000 - Mg0.17X_montm_mg 1.433e-03 4.871e-04 1.464e-01 0.000 + Na0.34X_montm_mg 3.728e-03 1.267e-03 3.810e-01 -0.000 + Ca0.17X_montm_mg 2.622e-03 8.916e-04 2.680e-01 -0.000 + K0.34X_montm_mg 2.001e-03 6.805e-04 2.046e-01 -0.000 + Mg0.17X_montm_mg 1.433e-03 4.871e-04 1.464e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -29443,7 +29290,7 @@ X_montm_mg 9.784e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.567 Charge balance - pe = 8.971 Adjusted to redox equilibrium + pe = 9.202 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 19 Density (g/cm³) = 0.99708 Volume (L) = 1.00297 @@ -29453,9 +29300,9 @@ X_montm_mg 9.784e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.246e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.196e-12 + Electrical balance (eq) = -1.205e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 179 (166 overall) + Iterations = 177 (164 overall) Total H = 1.110122e+02 Total O = 5.550720e+01 @@ -29477,7 +29324,7 @@ Ca 6.456e-05 Ca+2 6.452e-05 5.973e-05 -4.190 -4.224 -0.033 -18.19 CaOH+ 3.731e-08 3.660e-08 -7.428 -7.437 -0.008 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.226 -40.226 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.689 -40.689 0.000 28.61 K 2.867e-07 K+ 2.867e-07 2.811e-07 -6.543 -6.551 -0.008 9.00 Mg 1.766e-09 @@ -29485,9 +29332,8 @@ Mg 1.766e-09 MgOH+ 2.207e-11 2.165e-11 -10.656 -10.665 -0.008 (0) Na 9.131e-05 Na+ 9.131e-05 8.956e-05 -4.039 -4.048 -0.008 -1.50 - NaOH 3.346e-19 3.347e-19 -18.475 -18.475 0.000 (0) -O(0) 2.360e-12 - O2 1.180e-12 1.180e-12 -11.928 -11.928 0.000 30.40 +O(0) 1.990e-11 + O2 9.951e-12 9.951e-12 -11.002 -11.002 0.000 30.40 Si 5.076e-04 H4SiO4 3.264e-04 3.264e-04 -3.486 -3.486 0.000 52.08 H3SiO4- 1.812e-04 1.777e-04 -3.742 -3.750 -0.008 27.96 @@ -29528,7 +29374,7 @@ Si 5.076e-04 Gibbsite -0.91 7.20 8.11 Al(OH)3 Glaucophane -8.44 28.58 37.03 Na2(Mg3Al2)Si8O22(OH)2 Grossular -0.69 48.68 49.37 Ca3Al2Si3O12 - H2(g) -37.12 -40.23 -3.10 H2 + H2(g) -37.59 -40.69 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Heulandite(Ca) 5.00 7.46 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O Heulandite(Na) 0.52 3.31 2.80 Na2.14Al2.14Si6.86O18:6.17H2O @@ -29536,7 +29382,7 @@ Si 5.076e-04 Jadeite -1.81 5.75 7.56 NaAl(SiO3)2 K-feldspar -2.33 -22.90 -20.57 KAlSi3O8 K-mica 1.47 14.17 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Kyanite -5.01 10.92 15.94 Al2SiO5 Labradorite -21.95 -21.95 0.00 Na0.4Ca0.6Si2.4Al1.6O8 Larnite(alpha) -12.71 26.34 39.04 Ca2SiO4 @@ -29560,7 +29406,7 @@ Si 5.076e-04 Muscovite 2.82 14.17 11.35 KAl2(AlSi3)O10(OH)2 Natrolite -4.34 14.99 19.33 Na2(Al2Si3)O10:2H2O Nepheline -4.84 9.24 14.08 Na(AlSi)O4 - O2(g) -9.04 -11.93 -2.89 O2 + O2(g) -8.11 -11.00 -2.89 O2 Oligoclase -20.92 -20.92 0.00 Na0.8Ca0.2Si2.8Al1.2O8 Palygorskite 7.20 7.20 0.00 Mg2Al2Si8O20(OH)2:8H2O Paragonite -0.13 16.67 16.80 NaAl2(AlSi3)O10(OH)2 @@ -29608,7 +29454,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 1.788e-04 1.792e-04 4.741e-07 +Kaolinite 0.00 7.43 7.43 1.788e-04 1.792e-04 4.741e-07 -----------------------------Exchange composition------------------------------ @@ -29636,7 +29482,7 @@ X_montm_mg 9.783e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor ----------------------------Description of solution---------------------------- pH = 9.568 Charge balance - pe = 8.970 Adjusted to redox equilibrium + pe = 9.202 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 19 Density (g/cm³) = 0.99708 Volume (L) = 1.00297 @@ -29646,7 +29492,7 @@ X_montm_mg 9.783e-03 mol [1 (mol X_montm_mg)/(mol kinetic reactant Montmor Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.252e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.270e-12 + Electrical balance (eq) = -1.279e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 85 Total H = 1.110121e+02 @@ -29670,7 +29516,7 @@ Ca 6.475e-05 Ca+2 6.471e-05 5.990e-05 -4.189 -4.223 -0.034 -18.19 CaOH+ 3.745e-08 3.673e-08 -7.427 -7.435 -0.008 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.224 -40.224 0.000 28.61 + H2 0.000e+00 0.000e+00 -40.689 -40.689 0.000 28.61 K 2.874e-07 K+ 2.874e-07 2.819e-07 -6.541 -6.550 -0.008 9.00 Mg 1.784e-09 @@ -29678,9 +29524,8 @@ Mg 1.784e-09 MgOH+ 2.231e-11 2.188e-11 -10.652 -10.660 -0.008 (0) Na 9.151e-05 Na+ 9.151e-05 8.976e-05 -4.039 -4.047 -0.008 -1.50 - NaOH 3.356e-19 3.356e-19 -18.474 -18.474 0.000 (0) -O(0) 2.339e-12 - O2 1.170e-12 1.170e-12 -11.932 -11.932 0.000 30.40 +O(0) 1.990e-11 + O2 9.951e-12 9.952e-12 -11.002 -11.002 0.000 30.40 Si 5.090e-04 H4SiO4 3.272e-04 3.272e-04 -3.485 -3.485 0.000 52.08 H3SiO4- 1.817e-04 1.782e-04 -3.741 -3.749 -0.008 27.96 @@ -29721,7 +29566,7 @@ Si 5.090e-04 Gibbsite -0.91 7.20 8.11 Al(OH)3 Glaucophane -8.42 28.61 37.03 Na2(Mg3Al2)Si8O22(OH)2 Grossular -0.68 48.69 49.37 Ca3Al2Si3O12 - H2(g) -37.12 -40.22 -3.10 H2 + H2(g) -37.59 -40.69 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Heulandite(Ca) 5.01 7.46 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O Heulandite(Na) 0.52 3.32 2.80 Na2.14Al2.14Si6.86O18:6.17H2O @@ -29729,7 +29574,7 @@ Si 5.090e-04 Jadeite -1.81 5.75 7.56 NaAl(SiO3)2 K-feldspar -2.33 -22.90 -20.57 KAlSi3O8 K-mica 1.47 14.17 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.43 7.43 Al2Si2O5(OH)4 Kyanite -5.02 10.92 15.94 Al2SiO5 Labradorite -21.95 -21.95 0.00 Na0.4Ca0.6Si2.4Al1.6O8 Larnite(alpha) -12.70 26.34 39.04 Ca2SiO4 @@ -29753,7 +29598,7 @@ Si 5.090e-04 Muscovite 2.82 14.17 11.35 KAl2(AlSi3)O10(OH)2 Natrolite -4.34 14.99 19.33 Na2(Al2Si3)O10:2H2O Nepheline -4.84 9.24 14.08 Na(AlSi)O4 - O2(g) -9.04 -11.93 -2.89 O2 + O2(g) -8.11 -11.00 -2.89 O2 Oligoclase -20.91 -20.91 0.00 Na0.8Ca0.2Si2.8Al1.2O8 Palygorskite 7.22 7.22 0.00 Mg2Al2Si8O20(OH)2:8H2O Paragonite -0.13 16.67 16.80 NaAl2(AlSi3)O10(OH)2 diff --git a/mytest/kinetic_rates_plus_101.sel b/mytest/kinetic_rates_plus_101.sel index 8bae7ff82..f74f7afa1 100644 --- a/mytest/kinetic_rates_plus_101.sel +++ b/mytest/kinetic_rates_plus_101.sel @@ -12,23 +12,23 @@ 0.000031830159 13.5205741042 0.000010037547 4.2674103552 0.000003169474 1.3483950886 - 0.000001001783 0.4272830393 + 0.000001001783 0.4272830394 0.000000317046 0.1385586357 0.000000100747 0.0547031672 0.000000319678 0.0850530727 - 0.000001012748 0.2412972479 - 0.000003206845 0.7547484625 - 0.000010158796 2.3863118383 - 0.000032219309 7.5581501767 - 0.000102410981 23.9721573765 - 0.000326794816 76.2045279692 - 0.001049942328 243.1823877985 - 0.003412857909 781.0303065704 - 0.011308623011 2533.5480784265 - 0.038583758674 8327.9875435911 - 0.136622749455 27658.3300569213 - 0.497107323763 90406.0338311380 - 1.763786045372 270844.3649940895 + 0.000001012748 0.2412972475 + 0.000003206845 0.7547484590 + 0.000010158796 2.3863118039 + 0.000032219309 7.5581498330 + 0.000102410981 23.9721539385 + 0.000326794816 76.2044935882 + 0.001049942328 243.1820444225 + 0.003412857909 781.0268952494 + 0.011308623011 2533.5148636852 + 0.038583758674 8327.6886844090 + 0.136622749455 27656.5128711669 + 0.497107323763 90420.8259316194 + 1.763786045372 271308.1204100549 1.360612170325 475717.8606083016 0.410098470223 159070.2104170808 0.122379599697 49318.4765575950 @@ -40,24 +40,24 @@ 0.000101154263 42.9033445677 0.000031830156 13.5205742224 0.000010037546 4.2674103579 - 0.000003169474 1.3483950782 + 0.000003169474 1.3483950783 0.000001001784 0.4272830572 0.000000317047 0.1385586593 0.000000100747 0.0547031838 - 0.000000319678 0.0850530761 - 0.000001012747 0.2412972166 - 0.000003206844 0.7547483566 - 0.000010158793 2.3863115694 - 0.000032219299 7.5581495163 - 0.000102410953 23.9721557933 - 0.000326794751 76.2045245583 - 0.001049942199 243.1823811660 - 0.003412857662 781.0302942724 - 0.011308622525 2533.5480556306 - 0.038583757595 8327.9874994524 - 0.136622746846 27658.3299718310 - 0.497107318241 90406.0337144223 - 1.763786035515 270844.3649754958 + 0.000000319678 0.0850530760 + 0.000001012747 0.2412972162 + 0.000003206844 0.7547483531 + 0.000010158793 2.3863115350 + 0.000032219299 7.5581491726 + 0.000102410953 23.9721523554 + 0.000326794751 76.2044901773 + 0.001049942199 243.1820377900 + 0.003412857662 781.0268829522 + 0.011308622525 2533.5148408935 + 0.038583757595 8327.6886402941 + 0.136622746846 27656.5127861844 + 0.497107318241 90420.8258148453 + 1.763786035515 271308.1203888462 1.360612170985 475717.8605353117 0.410098470589 159070.2103835305 0.122379599901 49318.4765420850 @@ -71,22 +71,22 @@ 0.000010037548 4.2674103537 0.000003169475 1.3483951352 0.000001001784 0.4272831205 - 0.000000317047 0.1385587116 + 0.000000317047 0.1385587117 0.000000100747 0.0547032336 0.000000319679 0.0850531444 - 0.000001012748 0.2412973149 - 0.000003206845 0.7547485008 - 0.000010158796 2.3863117944 - 0.000032219305 7.5581499023 - 0.000102410965 23.9721564810 - 0.000326794773 76.2045256982 - 0.001049942233 243.1823829066 - 0.003412857714 781.0302968398 - 0.011308622606 2533.5480594480 - 0.038583757740 8327.9875054147 - 0.136622747131 27658.3299811332 - 0.497107318730 90406.0337247507 - 1.763786036215 270844.3649768169 + 0.000001012748 0.2412973145 + 0.000003206845 0.7547484973 + 0.000010158796 2.3863117600 + 0.000032219305 7.5581495586 + 0.000102410965 23.9721530431 + 0.000326794773 76.2044913172 + 0.001049942233 243.1820395306 + 0.003412857714 781.0268855194 + 0.011308622606 2533.5148447102 + 0.038583757740 8327.6886462531 + 0.136622747131 27656.5127954748 + 0.497107318730 90420.8258251789 + 1.763786036215 271308.1203903531 1.360612168860 475717.8607703280 0.410098469481 159070.2104850028 0.122379599340 49318.4765847635 @@ -98,91 +98,91 @@ 0.000101154306 42.9033420365 0.000031830197 13.5205724531 0.000010037578 4.2674102857 - 0.000003169495 1.3483962723 + 0.000003169495 1.3483962724 0.000001001798 0.4272843888 0.000000317057 0.1385596286 - 0.000000100755 0.0547039493 - 0.000000319688 0.0850539412 - 0.000001012759 0.2412982570 - 0.000003206860 0.7547496682 - 0.000010158817 2.3863133773 - 0.000032219343 7.5581523292 - 0.000102411036 23.9721604421 - 0.000326794890 76.2045318401 - 0.001049942407 243.1823918288 - 0.003412857969 781.0303095243 - 0.011308622998 2533.5480778115 - 0.038583758429 8327.9875335549 - 0.136622748493 27658.3300259069 - 0.497107320996 90406.0337726421 - 1.763786039499 270844.3649830102 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 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0.001996835533 130.4480264686 - 0.002467410241 160.3757403612 - 0.002755004836 178.5970515839 - 0.002912013555 188.5446649939 - 0.002985270191 193.1961780633 - 0.003014837936 195.0777214229 - 0.003025770144 195.7742371552 - 0.003029656323 196.0219604794 - 0.003031017071 196.1087173984 - 0.000090827932 7.6050194908 - 0.000412412601 27.9520992166 - 0.000639789636 42.8429112483 - 0.000840345111 55.9356373360 - 0.001025253947 67.9595941894 - 0.001198785267 79.2023209908 - 0.001363012282 89.8069648589 - 0.001519053737 99.8529895070 - 0.001667530800 109.3863524801 - 0.001808769112 118.4330064378 - 0.001942899015 127.0056665553 + 0.000000100755 0.0547039494 + 0.000000319688 0.0850539411 + 0.000001012759 0.2412982566 + 0.000003206860 0.7547496647 + 0.000010158817 2.3863133429 + 0.000032219343 7.5581519854 + 0.000102411036 23.9721570041 + 0.000326794890 76.2044974591 + 0.001049942407 243.1820484527 + 0.003412857969 781.0268982032 + 0.011308622998 2533.5148630703 + 0.038583758429 8327.6886743782 + 0.136622748493 27656.5128401901 + 0.497107320996 90420.8258730943 + 1.763786039499 271308.1203974175 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000006940132 2.7155621534 + 0.000045001402 3.3354810234 + 0.000286424928 19.3407244205 + 0.000432906104 31.0419789358 + 0.000486143817 35.5094520002 + 0.000501052000 36.7394944605 + 0.000504993293 37.0633040480 + 0.000506022456 37.1477660679 + 0.000506290178 37.1697314476 + 0.000506359754 37.1754393542 + 0.000506384778 37.1774923047 + 0.000506384778 37.1774923074 + 0.000034160608 2.6947104723 + 0.000194228859 13.1701734488 + 0.000325321892 22.0068356712 + 0.000418395525 29.8016837264 + 0.000462969108 33.5799218894 + 0.000484790445 35.3973673974 + 0.000495609898 36.2914470415 + 0.000501000626 36.7352698042 + 0.000503692365 36.9564839301 + 0.000505037805 37.0669575741 + 0.000505710648 37.1221801291 + 0.000021994538 8.5964952475 + 0.000177177963 12.6976298762 + 0.001274189281 84.0382542745 + 0.001996835533 130.3989768375 + 0.002467410241 160.3325692722 + 0.002755004836 178.5637870297 + 0.002912013555 188.5188421188 + 0.002985270191 193.1742557539 + 0.003014837936 195.0574332501 + 0.003025770144 195.7545598705 + 0.003029656323 196.0025010889 + 0.003031017071 196.0893343880 + 0.000090827932 7.6036917896 + 0.000412412601 27.9440520190 + 0.000639789636 42.8274330471 + 0.000840345111 55.9129668812 + 0.001025253947 67.9303489490 + 0.001198785267 79.1673317286 + 0.001363012282 89.7671811974 + 0.001519053737 99.8094171522 + 0.001667530800 109.3400079358 + 0.001808769112 118.3848824998 + 0.001942899015 126.9567049019 0.000000100644 0.0547821292 0.000000101193 0.0548655725 0.000000106321 0.0556983505 @@ -191,7 +191,7 @@ 0.000000118636 0.0580331059 0.000000121954 0.0587294109 0.000000124963 0.0593817610 - 0.000000127699 0.0599911169 + 0.000000127699 0.0599911170 0.000000130194 0.0605591811 0.000000132473 0.0610880400 0.000000134560 0.0615799509 @@ -199,74 +199,74 @@ 0.000000147929 0.0648880818 0.000000155790 0.0669404431 0.000000158452 0.0676507599 - 0.000000159389 0.0679024279 + 0.000000159389 0.0679024278 0.000000159723 0.0679923177 0.000000159842 0.0680245163 0.000000159885 0.0680360617 - 0.000000159901 0.0680402030 + 0.000000159901 0.0680402029 0.000000159907 0.0680420724 0.000000159909 0.0680424335 0.000000104628 0.0554130708 - 0.000000129499 0.0603998626 + 0.000000129499 0.0603998627 0.000000141703 0.0633161070 0.000000148606 0.0650620598 0.000000152756 0.0661400549 0.000000155332 0.0668189525 0.000000156960 0.0672518400 - 0.000000158002 0.0675300303 + 0.000000158002 0.0675300302 0.000000158672 0.0677096989 0.000000159105 0.0678261091 0.000000159386 0.0679016888 0.000000100914 0.0548231482 - 0.000000103532 0.0552338256 - 0.000000105998 0.0556431723 + 0.000000103532 0.0552338257 + 0.000000105998 0.0556431724 0.000000108325 0.0560481521 0.000000110525 0.0564466047 0.000000112607 0.0568370053 0.000000114581 0.0572182948 0.000000116455 0.0575897591 0.000000118236 0.0579509411 - 0.000000119929 0.0583015763 - 0.000000121542 0.0586415454 - 0.030000116639 3396.0891259440 - 0.030000127222 3396.0885373200 - 0.030000198439 3396.0848745536 - 0.030000236597 3396.0828782248 - 0.030000259095 3396.0816482087 - 0.030000272924 3396.0808690192 - 0.030000281616 3396.0803698181 - 0.030000287149 3396.0800481183 - 0.030000290699 3396.0798401028 - 0.030000292988 3396.0797053195 - 0.030000294468 3396.0796178743 - 0.030000295427 3396.0795610948 - 0.030000146351 3396.0875250646 - 0.030000269442 3396.0810669117 - 0.030000291879 3396.0797707172 - 0.030000296176 3396.0795166972 - 0.030000297002 3396.0794676386 - 0.030000297164 3396.0794580307 - 0.030000297196 3396.0794561499 - 0.030000297205 3396.0794555853 - 0.030000297205 3396.0794555853 - 0.030000297205 3396.0794555853 - 0.030000297205 3396.0794555853 + 0.000000119929 0.0583015764 + 0.000000121542 0.0586415455 + 0.030000116639 3396.0891211971 + 0.030000127222 3396.0885327531 + 0.030000198439 3396.0848708604 + 0.030000236597 3396.0828748479 + 0.030000259095 3396.0816449875 + 0.030000272924 3396.0808658848 + 0.030000281616 3396.0803667351 + 0.030000287149 3396.0800450669 + 0.030000290699 3396.0798370712 + 0.030000292988 3396.0797023005 + 0.030000294468 3396.0796148633 + 0.030000295427 3396.0795580891 + 0.030000146351 3396.0875207827 + 0.030000269442 3396.0810637560 + 0.030000291879 3396.0797676921 + 0.030000296176 3396.0795136956 + 0.030000297002 3396.0794646413 + 0.030000297164 3396.0794550343 + 0.030000297196 3396.0794531537 + 0.030000297205 3396.0794525891 + 0.030000297205 3396.0794525891 + 0.030000297205 3396.0794525891 + 0.030000297205 3396.0794525891 0.000000100644 0.0547821292 - 0.000302081305 20.3147666675 + 0.000302081305 20.3147359441 0.000000100644 0.0547821292 0.000000340579 0.0743035301 - 0.000302081305 20.3147666675 + 0.000302081305 20.3147359441 0.000000267836 0.0765897156 0.000000269542 0.0766465929 - 0.000000286645 0.0772388236 + 0.000000286645 0.0772388237 0.000000338394 0.0792862058 - 0.000000516784 0.0895294279 - 0.000000980697 0.1318583540 - 0.000002596833 0.3758899937 - 0.000008351302 1.3284956015 - 0.000032004370 4.3156049742 - 0.000115647629 10.7157698933 - 0.000194813532 15.2014431047 - 0.000248489817 17.9448809838 - 0.000285248772 19.7461856298 - 0.000286019146 19.7834214677 + 0.000000516784 0.0895294278 + 0.000000980697 0.1318583536 + 0.000002596833 0.3758899927 + 0.000008351302 1.3284955933 + 0.000032004370 4.3156047929 + 0.000115647629 10.7157661605 + 0.000194813532 15.2014312821 + 0.000248489817 17.9448610134 + 0.000285248772 19.7461588442 + 0.000286019146 19.7833945285 diff --git a/mytest/krest.out b/mytest/krest.out index 0089490f2..662fba086 100644 --- a/mytest/krest.out +++ b/mytest/krest.out @@ -91,7 +91,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -183,7 +183,7 @@ Initial solution 46. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -314,7 +314,7 @@ Using solution 0. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -418,7 +418,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -522,7 +522,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -626,7 +626,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -730,7 +730,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -834,7 +834,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -938,7 +938,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1042,7 +1042,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1146,7 +1146,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1250,7 +1250,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1354,7 +1354,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1458,7 +1458,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1562,7 +1562,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1666,7 +1666,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1770,7 +1770,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1874,7 +1874,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -1978,7 +1978,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2082,7 +2082,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2186,7 +2186,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2290,7 +2290,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2394,7 +2394,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2498,7 +2498,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2602,7 +2602,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2706,7 +2706,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2810,7 +2810,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -2914,7 +2914,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3018,7 +3018,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3122,7 +3122,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3226,7 +3226,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3330,7 +3330,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3434,7 +3434,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3538,7 +3538,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3642,7 +3642,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3746,7 +3746,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3850,7 +3850,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -3954,7 +3954,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4058,7 +4058,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4162,7 +4162,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4266,7 +4266,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4370,7 +4370,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4474,7 +4474,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4578,7 +4578,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4682,7 +4682,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4786,7 +4786,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4890,7 +4890,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -4994,7 +4994,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5067,7 +5067,7 @@ Using solution 46. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -5153,7 +5153,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5265,7 +5265,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5379,7 +5379,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5493,7 +5493,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5607,7 +5607,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5721,7 +5721,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5835,7 +5835,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -5949,7 +5949,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6063,7 +6063,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6177,7 +6177,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6291,7 +6291,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6405,7 +6405,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6519,7 +6519,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6633,7 +6633,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6747,7 +6747,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6861,7 +6861,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -6975,7 +6975,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7089,7 +7089,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7203,7 +7203,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7317,7 +7317,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7431,7 +7431,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7545,7 +7545,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7659,7 +7659,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7773,7 +7773,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -7887,7 +7887,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8001,7 +8001,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8115,7 +8115,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8229,7 +8229,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8343,7 +8343,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8457,7 +8457,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8571,7 +8571,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8685,7 +8685,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8799,7 +8799,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -8913,7 +8913,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9027,7 +9027,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9141,7 +9141,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9255,7 +9255,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9369,7 +9369,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9483,7 +9483,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9597,7 +9597,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9711,7 +9711,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9825,7 +9825,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -9939,7 +9939,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -10054,7 +10054,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 87 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89087 + Viscosity (mPa s) = 0.89110 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.302e-03 Mass of water (kg) = 1.000e+00 @@ -10172,7 +10172,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 118 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89126 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.670e-03 Mass of water (kg) = 1.000e+00 @@ -10290,7 +10290,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 165 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89132 + Viscosity (mPa s) = 0.89145 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.227e-03 Mass of water (kg) = 1.000e+00 @@ -10368,7 +10368,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -10450,7 +10450,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -10562,7 +10562,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -10676,7 +10676,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -10790,7 +10790,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -10904,7 +10904,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11018,7 +11018,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11132,7 +11132,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11246,7 +11246,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11360,7 +11360,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11474,7 +11474,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11588,7 +11588,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11702,7 +11702,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11816,7 +11816,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -11930,7 +11930,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12044,7 +12044,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12158,7 +12158,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12272,7 +12272,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12386,7 +12386,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12500,7 +12500,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12614,7 +12614,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12728,7 +12728,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12842,7 +12842,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -12956,7 +12956,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13070,7 +13070,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13184,7 +13184,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13298,7 +13298,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13412,7 +13412,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13526,7 +13526,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13640,7 +13640,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13754,7 +13754,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13868,7 +13868,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -13982,7 +13982,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14096,7 +14096,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14210,7 +14210,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14324,7 +14324,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14438,7 +14438,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14552,7 +14552,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14666,7 +14666,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14780,7 +14780,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -14894,7 +14894,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -15009,7 +15009,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.236e-03 Mass of water (kg) = 1.000e+00 @@ -15127,7 +15127,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 84 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89085 + Viscosity (mPa s) = 0.89109 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.270e-03 Mass of water (kg) = 1.000e+00 @@ -15245,7 +15245,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89094 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.415e-03 Mass of water (kg) = 1.000e+00 @@ -15363,7 +15363,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 124 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89112 + Viscosity (mPa s) = 0.89129 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.745e-03 Mass of water (kg) = 1.000e+00 @@ -15481,7 +15481,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 162 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89130 + Viscosity (mPa s) = 0.89144 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.195e-03 Mass of water (kg) = 1.000e+00 @@ -15599,7 +15599,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89142 + Viscosity (mPa s) = 0.89153 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.537e-03 Mass of water (kg) = 1.000e+00 @@ -15677,7 +15677,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -15759,7 +15759,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -15871,7 +15871,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -15985,7 +15985,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16099,7 +16099,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16213,7 +16213,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16327,7 +16327,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16441,7 +16441,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16555,7 +16555,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16669,7 +16669,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16783,7 +16783,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -16897,7 +16897,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17011,7 +17011,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17125,7 +17125,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17239,7 +17239,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17353,7 +17353,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17467,7 +17467,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17581,7 +17581,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17695,7 +17695,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17809,7 +17809,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -17923,7 +17923,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18037,7 +18037,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18151,7 +18151,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18265,7 +18265,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18379,7 +18379,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18493,7 +18493,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18607,7 +18607,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18721,7 +18721,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18835,7 +18835,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -18949,7 +18949,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19063,7 +19063,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19177,7 +19177,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19291,7 +19291,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19405,7 +19405,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19519,7 +19519,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19633,7 +19633,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19747,7 +19747,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19861,7 +19861,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -19976,7 +19976,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -20094,7 +20094,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.235e-03 Mass of water (kg) = 1.000e+00 @@ -20212,7 +20212,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 82 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.251e-03 Mass of water (kg) = 1.000e+00 @@ -20330,7 +20330,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 88 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89088 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 @@ -20448,7 +20448,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 103 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89099 + Viscosity (mPa s) = 0.89119 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.488e-03 Mass of water (kg) = 1.000e+00 @@ -20566,7 +20566,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 128 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89114 + Viscosity (mPa s) = 0.89130 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.789e-03 Mass of water (kg) = 1.000e+00 @@ -20684,7 +20684,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 159 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89129 + Viscosity (mPa s) = 0.89142 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.158e-03 Mass of water (kg) = 1.000e+00 @@ -20802,7 +20802,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 186 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89140 + Viscosity (mPa s) = 0.89152 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.474e-03 Mass of water (kg) = 1.000e+00 @@ -20920,7 +20920,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 201 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89146 + Viscosity (mPa s) = 0.89156 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.652e-03 Mass of water (kg) = 1.000e+00 @@ -20998,7 +20998,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -21080,7 +21080,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21192,7 +21192,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21306,7 +21306,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21420,7 +21420,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21534,7 +21534,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21648,7 +21648,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21762,7 +21762,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21876,7 +21876,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -21990,7 +21990,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22104,7 +22104,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22218,7 +22218,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22332,7 +22332,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22446,7 +22446,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22560,7 +22560,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22674,7 +22674,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22788,7 +22788,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -22902,7 +22902,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23016,7 +23016,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23130,7 +23130,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23244,7 +23244,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23358,7 +23358,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23472,7 +23472,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23586,7 +23586,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23700,7 +23700,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23814,7 +23814,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -23928,7 +23928,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24042,7 +24042,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24156,7 +24156,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24270,7 +24270,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24384,7 +24384,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24498,7 +24498,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24612,7 +24612,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24726,7 +24726,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24840,7 +24840,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -24955,7 +24955,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -25073,7 +25073,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -25191,7 +25191,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.234e-03 Mass of water (kg) = 1.000e+00 @@ -25309,7 +25309,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 82 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.242e-03 Mass of water (kg) = 1.000e+00 @@ -25427,7 +25427,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 84 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89085 + Viscosity (mPa s) = 0.89109 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.273e-03 Mass of water (kg) = 1.000e+00 @@ -25545,7 +25545,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 92 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89091 + Viscosity (mPa s) = 0.89113 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.361e-03 Mass of water (kg) = 1.000e+00 @@ -25663,7 +25663,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 107 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89102 + Viscosity (mPa s) = 0.89121 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.540e-03 Mass of water (kg) = 1.000e+00 @@ -25781,7 +25781,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 130 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89115 + Viscosity (mPa s) = 0.89131 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.815e-03 Mass of water (kg) = 1.000e+00 @@ -25899,7 +25899,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 158 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89128 + Viscosity (mPa s) = 0.89142 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.137e-03 Mass of water (kg) = 1.000e+00 @@ -26017,7 +26017,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 181 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89138 + Viscosity (mPa s) = 0.89150 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.420e-03 Mass of water (kg) = 1.000e+00 @@ -26135,7 +26135,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 197 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89144 + Viscosity (mPa s) = 0.89155 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.609e-03 Mass of water (kg) = 1.000e+00 @@ -26253,7 +26253,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 205 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89147 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.698e-03 Mass of water (kg) = 1.000e+00 @@ -26331,7 +26331,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -26413,7 +26413,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -26525,7 +26525,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -26639,7 +26639,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -26753,7 +26753,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -26867,7 +26867,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -26981,7 +26981,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27095,7 +27095,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27209,7 +27209,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27323,7 +27323,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27437,7 +27437,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27551,7 +27551,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27665,7 +27665,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27779,7 +27779,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -27893,7 +27893,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28007,7 +28007,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28121,7 +28121,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28235,7 +28235,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28349,7 +28349,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28463,7 +28463,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28577,7 +28577,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28691,7 +28691,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28805,7 +28805,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -28919,7 +28919,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29033,7 +29033,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29147,7 +29147,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29261,7 +29261,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29375,7 +29375,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29489,7 +29489,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29603,7 +29603,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29717,7 +29717,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29831,7 +29831,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -29946,7 +29946,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -30064,7 +30064,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -30182,7 +30182,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -30300,7 +30300,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -30418,7 +30418,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.237e-03 Mass of water (kg) = 1.000e+00 @@ -30536,7 +30536,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 83 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.253e-03 Mass of water (kg) = 1.000e+00 @@ -30654,7 +30654,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 86 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89087 + Viscosity (mPa s) = 0.89110 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.298e-03 Mass of water (kg) = 1.000e+00 @@ -30772,7 +30772,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 95 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89115 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.399e-03 Mass of water (kg) = 1.000e+00 @@ -30890,7 +30890,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 110 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89104 + Viscosity (mPa s) = 0.89122 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.579e-03 Mass of water (kg) = 1.000e+00 @@ -31008,7 +31008,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 132 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89116 + Viscosity (mPa s) = 0.89132 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.834e-03 Mass of water (kg) = 1.000e+00 @@ -31126,7 +31126,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 156 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89128 + Viscosity (mPa s) = 0.89141 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.122e-03 Mass of water (kg) = 1.000e+00 @@ -31244,7 +31244,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 178 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89149 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.382e-03 Mass of water (kg) = 1.000e+00 @@ -31362,7 +31362,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 194 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89143 + Viscosity (mPa s) = 0.89154 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.569e-03 Mass of water (kg) = 1.000e+00 @@ -31480,7 +31480,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 203 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89146 + Viscosity (mPa s) = 0.89157 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.674e-03 Mass of water (kg) = 1.000e+00 @@ -31598,7 +31598,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 206 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.718e-03 Mass of water (kg) = 1.000e+00 @@ -31676,7 +31676,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -31758,7 +31758,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -31870,7 +31870,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -31984,7 +31984,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32098,7 +32098,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32212,7 +32212,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32326,7 +32326,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32440,7 +32440,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32554,7 +32554,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32668,7 +32668,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32782,7 +32782,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -32896,7 +32896,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33010,7 +33010,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33124,7 +33124,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33238,7 +33238,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33352,7 +33352,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33466,7 +33466,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33580,7 +33580,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33694,7 +33694,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33808,7 +33808,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -33922,7 +33922,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34036,7 +34036,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34150,7 +34150,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34264,7 +34264,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34378,7 +34378,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34492,7 +34492,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34606,7 +34606,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34720,7 +34720,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34834,7 +34834,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -34949,7 +34949,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -35067,7 +35067,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -35185,7 +35185,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -35303,7 +35303,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -35421,7 +35421,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -35539,7 +35539,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.235e-03 Mass of water (kg) = 1.000e+00 @@ -35657,7 +35657,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 82 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.243e-03 Mass of water (kg) = 1.000e+00 @@ -35775,7 +35775,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 84 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89084 + Viscosity (mPa s) = 0.89109 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.266e-03 Mass of water (kg) = 1.000e+00 @@ -35893,7 +35893,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 88 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89088 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.322e-03 Mass of water (kg) = 1.000e+00 @@ -36011,7 +36011,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 98 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89095 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.431e-03 Mass of water (kg) = 1.000e+00 @@ -36129,7 +36129,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 113 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89105 + Viscosity (mPa s) = 0.89124 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.609e-03 Mass of water (kg) = 1.000e+00 @@ -36247,7 +36247,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 133 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89132 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.847e-03 Mass of water (kg) = 1.000e+00 @@ -36365,7 +36365,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 155 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89127 + Viscosity (mPa s) = 0.89141 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.110e-03 Mass of water (kg) = 1.000e+00 @@ -36483,7 +36483,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 176 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89136 + Viscosity (mPa s) = 0.89148 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.352e-03 Mass of water (kg) = 1.000e+00 @@ -36601,7 +36601,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89142 + Viscosity (mPa s) = 0.89153 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.535e-03 Mass of water (kg) = 1.000e+00 @@ -36719,7 +36719,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 200 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89145 + Viscosity (mPa s) = 0.89156 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.648e-03 Mass of water (kg) = 1.000e+00 @@ -36837,7 +36837,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 205 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89147 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.705e-03 Mass of water (kg) = 1.000e+00 @@ -36955,7 +36955,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.726e-03 Mass of water (kg) = 1.000e+00 @@ -37033,7 +37033,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -37115,7 +37115,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -37227,7 +37227,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -37341,7 +37341,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -37455,7 +37455,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -37569,7 +37569,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -37683,7 +37683,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -37797,7 +37797,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -37911,7 +37911,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38025,7 +38025,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38139,7 +38139,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38253,7 +38253,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38367,7 +38367,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38481,7 +38481,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38595,7 +38595,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38709,7 +38709,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38823,7 +38823,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -38937,7 +38937,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39051,7 +39051,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39165,7 +39165,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39279,7 +39279,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39393,7 +39393,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39507,7 +39507,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39621,7 +39621,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39735,7 +39735,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39849,7 +39849,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -39964,7 +39964,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -40082,7 +40082,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -40200,7 +40200,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -40318,7 +40318,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -40436,7 +40436,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -40554,7 +40554,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -40672,7 +40672,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.234e-03 Mass of water (kg) = 1.000e+00 @@ -40790,7 +40790,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.238e-03 Mass of water (kg) = 1.000e+00 @@ -40908,7 +40908,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 82 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.250e-03 Mass of water (kg) = 1.000e+00 @@ -41026,7 +41026,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 85 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89085 + Viscosity (mPa s) = 0.89109 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.280e-03 Mass of water (kg) = 1.000e+00 @@ -41144,7 +41144,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 90 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89090 + Viscosity (mPa s) = 0.89112 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.345e-03 Mass of water (kg) = 1.000e+00 @@ -41262,7 +41262,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 100 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89097 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.460e-03 Mass of water (kg) = 1.000e+00 @@ -41380,7 +41380,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 115 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89107 + Viscosity (mPa s) = 0.89125 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.634e-03 Mass of water (kg) = 1.000e+00 @@ -41498,7 +41498,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 134 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89133 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.857e-03 Mass of water (kg) = 1.000e+00 @@ -41616,7 +41616,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 155 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89127 + Viscosity (mPa s) = 0.89141 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.102e-03 Mass of water (kg) = 1.000e+00 @@ -41734,7 +41734,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 174 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89135 + Viscosity (mPa s) = 0.89147 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.328e-03 Mass of water (kg) = 1.000e+00 @@ -41849,10 +41849,10 @@ Solid pH = 7.000 Charge balance pe = 12.339 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 189 + Specific Conductance (µS/cm, 25°C) = 188 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89141 + Viscosity (mPa s) = 0.89152 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.506e-03 Mass of water (kg) = 1.000e+00 @@ -41970,7 +41970,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 198 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89145 + Viscosity (mPa s) = 0.89156 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.624e-03 Mass of water (kg) = 1.000e+00 @@ -42088,7 +42088,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 204 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89147 + Viscosity (mPa s) = 0.89157 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.690e-03 Mass of water (kg) = 1.000e+00 @@ -42206,7 +42206,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 206 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.720e-03 Mass of water (kg) = 1.000e+00 @@ -42324,7 +42324,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.730e-03 Mass of water (kg) = 1.000e+00 @@ -42402,7 +42402,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -42484,7 +42484,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -42596,7 +42596,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -42710,7 +42710,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -42824,7 +42824,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -42938,7 +42938,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43052,7 +43052,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43166,7 +43166,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43280,7 +43280,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43394,7 +43394,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43508,7 +43508,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43622,7 +43622,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43736,7 +43736,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43850,7 +43850,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -43964,7 +43964,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44078,7 +44078,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44192,7 +44192,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44306,7 +44306,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44420,7 +44420,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44534,7 +44534,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44648,7 +44648,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44762,7 +44762,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44876,7 +44876,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -44991,7 +44991,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -45109,7 +45109,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -45227,7 +45227,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -45345,7 +45345,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -45463,7 +45463,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -45581,7 +45581,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -45699,7 +45699,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -45817,7 +45817,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -45935,7 +45935,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.235e-03 Mass of water (kg) = 1.000e+00 @@ -46053,7 +46053,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 82 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.241e-03 Mass of water (kg) = 1.000e+00 @@ -46171,7 +46171,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 83 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89084 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.258e-03 Mass of water (kg) = 1.000e+00 @@ -46289,7 +46289,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 86 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89086 + Viscosity (mPa s) = 0.89110 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.295e-03 Mass of water (kg) = 1.000e+00 @@ -46407,7 +46407,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 92 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89091 + Viscosity (mPa s) = 0.89113 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.366e-03 Mass of water (kg) = 1.000e+00 @@ -46525,7 +46525,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 102 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89098 + Viscosity (mPa s) = 0.89119 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.484e-03 Mass of water (kg) = 1.000e+00 @@ -46643,7 +46643,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 117 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89125 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.654e-03 Mass of water (kg) = 1.000e+00 @@ -46761,7 +46761,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 135 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89133 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.866e-03 Mass of water (kg) = 1.000e+00 @@ -46879,7 +46879,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 154 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89127 + Viscosity (mPa s) = 0.89140 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.094e-03 Mass of water (kg) = 1.000e+00 @@ -46997,7 +46997,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 172 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89134 + Viscosity (mPa s) = 0.89147 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.308e-03 Mass of water (kg) = 1.000e+00 @@ -47115,7 +47115,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 186 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89140 + Viscosity (mPa s) = 0.89152 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.481e-03 Mass of water (kg) = 1.000e+00 @@ -47233,7 +47233,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 197 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89144 + Viscosity (mPa s) = 0.89155 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.602e-03 Mass of water (kg) = 1.000e+00 @@ -47351,7 +47351,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 203 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89146 + Viscosity (mPa s) = 0.89157 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.674e-03 Mass of water (kg) = 1.000e+00 @@ -47469,7 +47469,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 206 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89147 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.711e-03 Mass of water (kg) = 1.000e+00 @@ -47587,7 +47587,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.727e-03 Mass of water (kg) = 1.000e+00 @@ -47705,7 +47705,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.732e-03 Mass of water (kg) = 1.000e+00 @@ -47783,7 +47783,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -47865,7 +47865,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -47977,7 +47977,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48091,7 +48091,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48205,7 +48205,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48319,7 +48319,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48433,7 +48433,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48547,7 +48547,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48661,7 +48661,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48775,7 +48775,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -48889,7 +48889,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49003,7 +49003,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49117,7 +49117,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49231,7 +49231,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49345,7 +49345,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49459,7 +49459,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49573,7 +49573,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49687,7 +49687,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49801,7 +49801,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -49915,7 +49915,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50030,7 +50030,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50148,7 +50148,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50266,7 +50266,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50384,7 +50384,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50502,7 +50502,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50620,7 +50620,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50738,7 +50738,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50856,7 +50856,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -50974,7 +50974,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -51092,7 +51092,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.234e-03 Mass of water (kg) = 1.000e+00 @@ -51210,7 +51210,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.237e-03 Mass of water (kg) = 1.000e+00 @@ -51328,7 +51328,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 82 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.246e-03 Mass of water (kg) = 1.000e+00 @@ -51446,7 +51446,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 84 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89084 + Viscosity (mPa s) = 0.89109 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.267e-03 Mass of water (kg) = 1.000e+00 @@ -51564,7 +51564,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 87 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89087 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.309e-03 Mass of water (kg) = 1.000e+00 @@ -51682,7 +51682,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 94 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89092 + Viscosity (mPa s) = 0.89114 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.386e-03 Mass of water (kg) = 1.000e+00 @@ -51800,7 +51800,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 104 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89100 + Viscosity (mPa s) = 0.89120 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.506e-03 Mass of water (kg) = 1.000e+00 @@ -51918,7 +51918,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 118 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89126 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.671e-03 Mass of water (kg) = 1.000e+00 @@ -52036,7 +52036,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 135 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89118 + Viscosity (mPa s) = 0.89133 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.873e-03 Mass of water (kg) = 1.000e+00 @@ -52154,7 +52154,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 153 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89126 + Viscosity (mPa s) = 0.89140 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.088e-03 Mass of water (kg) = 1.000e+00 @@ -52269,10 +52269,10 @@ Solid pH = 7.000 Charge balance pe = 12.311 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 171 + Specific Conductance (µS/cm, 25°C) = 170 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89134 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.291e-03 Mass of water (kg) = 1.000e+00 @@ -52390,7 +52390,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 185 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89140 + Viscosity (mPa s) = 0.89151 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.459e-03 Mass of water (kg) = 1.000e+00 @@ -52508,7 +52508,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 195 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89143 + Viscosity (mPa s) = 0.89155 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.582e-03 Mass of water (kg) = 1.000e+00 @@ -52626,7 +52626,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 201 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89146 + Viscosity (mPa s) = 0.89157 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.659e-03 Mass of water (kg) = 1.000e+00 @@ -52744,7 +52744,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 205 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89147 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.702e-03 Mass of water (kg) = 1.000e+00 @@ -52862,7 +52862,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.722e-03 Mass of water (kg) = 1.000e+00 @@ -52980,7 +52980,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.730e-03 Mass of water (kg) = 1.000e+00 @@ -53098,7 +53098,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.733e-03 Mass of water (kg) = 1.000e+00 @@ -53176,7 +53176,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -53258,7 +53258,7 @@ Using solution 0. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -53370,7 +53370,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -53484,7 +53484,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -53598,7 +53598,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -53712,7 +53712,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -53826,7 +53826,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -53940,7 +53940,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54054,7 +54054,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54168,7 +54168,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54282,7 +54282,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54396,7 +54396,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54510,7 +54510,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54624,7 +54624,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54738,7 +54738,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54852,7 +54852,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -54966,7 +54966,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55081,7 +55081,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55199,7 +55199,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55317,7 +55317,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55435,7 +55435,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55553,7 +55553,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55671,7 +55671,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55789,7 +55789,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -55907,7 +55907,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -56025,7 +56025,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-03 Mass of water (kg) = 1.000e+00 @@ -56143,7 +56143,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -56261,7 +56261,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.233e-03 Mass of water (kg) = 1.000e+00 @@ -56379,7 +56379,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.235e-03 Mass of water (kg) = 1.000e+00 @@ -56497,7 +56497,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89082 + Viscosity (mPa s) = 0.89107 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.240e-03 Mass of water (kg) = 1.000e+00 @@ -56615,7 +56615,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 82 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89083 + Viscosity (mPa s) = 0.89108 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.251e-03 Mass of water (kg) = 1.000e+00 @@ -56733,7 +56733,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 85 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89085 + Viscosity (mPa s) = 0.89109 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.276e-03 Mass of water (kg) = 1.000e+00 @@ -56851,7 +56851,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 89 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89088 + Viscosity (mPa s) = 0.89112 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.324e-03 Mass of water (kg) = 1.000e+00 @@ -56966,10 +56966,10 @@ Solid pH = 7.000 Charge balance pe = 12.076 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 96 + Specific Conductance (µS/cm, 25°C) = 95 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89094 + Viscosity (mPa s) = 0.89115 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.404e-03 Mass of water (kg) = 1.000e+00 @@ -57087,7 +57087,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 106 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89101 + Viscosity (mPa s) = 0.89120 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.525e-03 Mass of water (kg) = 1.000e+00 @@ -57205,7 +57205,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 119 Density (g/cm³) = 0.99711 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89109 + Viscosity (mPa s) = 0.89127 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.686e-03 Mass of water (kg) = 1.000e+00 @@ -57323,7 +57323,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 136 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89118 + Viscosity (mPa s) = 0.89133 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.879e-03 Mass of water (kg) = 1.000e+00 @@ -57441,7 +57441,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 153 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89126 + Viscosity (mPa s) = 0.89140 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.083e-03 Mass of water (kg) = 1.000e+00 @@ -57559,7 +57559,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 169 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89133 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.277e-03 Mass of water (kg) = 1.000e+00 @@ -57677,7 +57677,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 183 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89139 + Viscosity (mPa s) = 0.89151 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.440e-03 Mass of water (kg) = 1.000e+00 @@ -57795,7 +57795,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 193 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89143 + Viscosity (mPa s) = 0.89154 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.563e-03 Mass of water (kg) = 1.000e+00 @@ -57913,7 +57913,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 200 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89145 + Viscosity (mPa s) = 0.89156 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.644e-03 Mass of water (kg) = 1.000e+00 @@ -58031,7 +58031,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 204 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89147 + Viscosity (mPa s) = 0.89157 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.692e-03 Mass of water (kg) = 1.000e+00 @@ -58149,7 +58149,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 206 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.717e-03 Mass of water (kg) = 1.000e+00 @@ -58267,7 +58267,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.728e-03 Mass of water (kg) = 1.000e+00 @@ -58385,7 +58385,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 207 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89158 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.732e-03 Mass of water (kg) = 1.000e+00 @@ -58503,7 +58503,7 @@ Solid Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 @@ -58581,7 +58581,7 @@ Using solution 46. Solution after simulation 5. Specific Conductance (µS/cm, 25°C) = 208 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89148 + Viscosity (mPa s) = 0.89159 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.734e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/krest_101.sel b/mytest/krest_101.sel index 3eac21a49..1cb7b1877 100644 --- a/mytest/krest_101.sel +++ b/mytest/krest_101.sel @@ -1,520 +1,520 @@ Mu SC - 0.001232412974 81.3501213875 - 0.002733957254 208.0587597360 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 81.3501213875 - 0.001232412974 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index fa7b2f70d..9e559b233 100644 --- a/mytest/lk_phase.out +++ b/mytest/lk_phase.out @@ -137,7 +137,7 @@ Calcite 0.00 -8.39 -8.39 1.000e+01 1.000e+01 -1.033e-04 Specific Conductance (µS/cm, 0°C) = 14 Density (g/cm³) = 0.99985 Volume (L) = 1.00016 - Viscosity (mPa s) = 1.79230 + Viscosity (mPa s) = 1.79231 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.414e-04 Mass of water (kg) = 1.000e+00 @@ -383,7 +383,7 @@ Calcite 0.00 -9.61 -9.61 1.000e+01 1.000e+01 -1.393e-04 Specific Conductance (µS/cm, 100°C) = 118 Density (g/cm³) = 0.95836 Volume (L) = 1.04346 - Viscosity (mPa s) = 0.28179 + Viscosity (mPa s) = 0.28181 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.066e-04 Mass of water (kg) = 1.000e+00 @@ -465,7 +465,7 @@ Calcite -0.00 -10.83 -10.83 1.000e+01 1.000e+01 -1.039e-04 Specific Conductance (µS/cm, 150°C) = 122 Density (g/cm³) = 0.91702 Volume (L) = 1.09050 - Viscosity (mPa s) = 0.18265 + Viscosity (mPa s) = 0.18269 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.023e-04 Mass of water (kg) = 1.000e+00 @@ -548,7 +548,7 @@ Calcite -0.00 -12.26 -12.26 1.000e+01 1.000e+01 -6.564e-05 Specific Conductance (µS/cm, 200°C) = 92 Density (g/cm³) = 0.86468 Volume (L) = 1.15651 - Viscosity (mPa s) = 0.13580 + Viscosity (mPa s) = 0.13550 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.862e-04 Mass of water (kg) = 1.000e+00 @@ -910,7 +910,7 @@ Calcite -0.00 -8.47 -8.47 1.000e+01 1.000e+01 -2.019e-04 Specific Conductance (µS/cm, 60°C) = 108 Density (g/cm³) = 1.00404 Volume (L) = 0.99600 - Viscosity (mPa s) = 0.47886 + Viscosity (mPa s) = 0.47887 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.850e-04 Mass of water (kg) = 1.000e+00 @@ -1001,7 +1001,7 @@ Calcite -0.00 -9.21 -9.21 1.000e+01 1.000e+01 -1.904e-04 Specific Conductance (µS/cm, 100°C) = 159 Density (g/cm³) = 0.98062 Volume (L) = 1.01978 - Viscosity (mPa s) = 0.29525 + Viscosity (mPa s) = 0.29527 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.508e-04 Mass of water (kg) = 1.000e+00 @@ -1092,7 +1092,7 @@ Calcite 0.00 -10.39 -10.39 1.000e+01 1.000e+01 -1.408e-04 Specific Conductance (µS/cm, 150°C) = 164 Density (g/cm³) = 0.94310 Volume (L) = 1.06035 - Viscosity (mPa s) = 0.19496 + Viscosity (mPa s) = 0.19502 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.171e-04 Mass of water (kg) = 1.000e+00 @@ -1183,7 +1183,7 @@ Calcite 0.00 -11.73 -11.73 1.000e+01 1.000e+01 -8.949e-05 Specific Conductance (µS/cm, 200°C) = 126 Density (g/cm³) = 0.89720 Volume (L) = 1.11459 - Viscosity (mPa s) = 0.14540 + Viscosity (mPa s) = 0.14566 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.636e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/lk_phase_101.sel b/mytest/lk_phase_101.sel index 43564845e..9636d68d6 100644 --- a/mytest/lk_phase_101.sel +++ b/mytest/lk_phase_101.sel @@ -1,15 +1,15 @@ Mu SC 0.000000100661 0.0546997340 - 0.000341402254 14.2744322692 - 0.000385530171 36.1571925780 - 0.000418802728 78.9122943455 - 0.000406637211 118.9584614007 - 0.000302329471 122.1410238888 - 0.000186239934 92.7279435321 + 0.000341402254 14.2744062654 + 0.000385530171 36.1571055692 + 0.000418802728 78.9118273245 + 0.000406637211 118.9561997124 + 0.000302329471 122.1294458327 + 0.000186239934 92.8071425780 0.000000100661 0.0546997340 - 0.000610346727 25.8278216406 - 0.000597504589 54.9775524894 - 0.000585013223 108.9707925954 - 0.000550793317 159.4220831093 - 0.000417105202 164.1728686777 - 0.000263636726 126.9955273515 + 0.000610346727 25.8278239579 + 0.000597504589 54.9774574081 + 0.000585013223 108.9697293363 + 0.000550793317 159.4170607174 + 0.000417105202 164.1536491981 + 0.000263636726 126.9069911491 diff --git a/mytest/local_min_pz_102.sel b/mytest/local_min_pz_102.sel index 018752662..db40c0db8 100644 --- a/mytest/local_min_pz_102.sel +++ b/mytest/local_min_pz_102.sel @@ -1,3 +1,3 @@ Mu SC - 0.722276588069 52653.9747624100 - 13.278319922601 118873.4958974117 + 0.722276588069 52653.8993555370 + 13.278319922601 118873.4840039384 diff --git a/mytest/low_p.out b/mytest/low_p.out index f868def64..7f2bd7416 100644 --- a/mytest/low_p.out +++ b/mytest/low_p.out @@ -111,7 +111,6 @@ H(0) 1.382e-17 H2 6.912e-18 7.079e-18 -17.160 -17.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.828e-02 -1.000 -1.106 -0.106 -1.08 - NaOH 7.709e-23 7.896e-23 -22.113 -22.103 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.093 -58.083 0.010 30.40 @@ -208,7 +207,6 @@ H(0) 5.337e-09 H2 2.668e-09 2.733e-09 -8.574 -8.563 0.010 28.61 Na 1.014e-01 Na+ 1.014e-01 7.934e-02 -0.994 -1.100 -0.106 -1.08 - NaOH 6.206e-17 6.357e-17 -16.207 -16.197 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -75.267 -75.256 0.010 30.40 @@ -280,7 +278,7 @@ O2(g) -51.00 -53.89 -2.89 1.000e+01 1.000e+01 -1.348e-04 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 8.560e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.925e-13 + Electrical balance (eq) = 9.924e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110163e+02 @@ -322,7 +320,6 @@ H(0) 1.110e-19 H2 5.550e-20 5.684e-20 -19.256 -19.245 0.010 28.61 Na 1.026e-01 Na+ 1.026e-01 8.035e-02 -0.989 -1.095 -0.106 -1.08 - NaOH 6.285e-17 6.438e-17 -16.202 -16.191 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.903 -53.892 0.010 30.40 diff --git a/mytest/low_p_101.sel b/mytest/low_p_101.sel index 4762e88a8..5776505bf 100644 --- a/mytest/low_p_101.sel +++ b/mytest/low_p_101.sel @@ -1,4 +1,4 @@ Mu SC 0.104109243636 11249.1346151775 - 0.104045366173 10904.7085909665 - 0.103874842380 10928.0687102720 + 0.104045366173 10904.7063432580 + 0.103874842380 10928.0664399229 diff --git a/mytest/mV1_rho.out b/mytest/mV1_rho.out index 94af022b8..bf05f5694 100644 --- a/mytest/mV1_rho.out +++ b/mytest/mV1_rho.out @@ -101,7 +101,6 @@ K 1.000e-06 K+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 8.98 Na 1.000e-06 Na+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 -1.52 - NaOH 1.010e-23 1.010e-23 -22.995 -22.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -171,7 +170,6 @@ K 1.000e-06 K+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 7.72 Na 1.000e-06 Na+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 -3.59 - NaOH 3.450e-24 3.450e-24 -23.462 -23.462 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.919 -70.919 0.000 27.49 @@ -237,7 +235,6 @@ K 1.000e-06 K+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 8.44 Na 1.000e-06 Na+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 -2.41 - NaOH 5.846e-24 5.846e-24 -23.233 -23.233 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -66.676 -66.676 0.000 29.12 @@ -303,7 +300,6 @@ K 1.000e-06 K+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 8.92 Na 1.000e-06 Na+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 -1.63 - NaOH 9.360e-24 9.360e-24 -23.029 -23.029 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.762 -62.762 0.000 30.24 @@ -369,7 +365,6 @@ K 1.000e-06 K+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 9.24 Na 1.000e-06 Na+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 -1.08 - NaOH 1.425e-23 1.425e-23 -22.846 -22.846 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -59.141 -59.141 0.000 31.07 @@ -435,7 +430,6 @@ K 1.000e-06 K+ 1.000e-06 9.982e-07 -6.000 -6.001 -0.001 9.48 Na 1.000e-06 Na+ 1.000e-06 9.982e-07 -6.000 -6.001 -0.001 -0.68 - NaOH 2.074e-23 2.074e-23 -22.683 -22.683 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -55.781 -55.781 0.000 31.72 @@ -501,7 +495,6 @@ K 1.000e-06 K+ 1.000e-06 9.981e-07 -6.000 -6.001 -0.001 9.65 Na 1.000e-06 Na+ 1.000e-06 9.981e-07 -6.000 -6.001 -0.001 -0.38 - NaOH 2.902e-23 2.902e-23 -22.537 -22.537 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.655 -52.655 0.000 32.27 @@ -567,7 +560,6 @@ K 1.000e-06 K+ 1.000e-06 9.980e-07 -6.000 -6.001 -0.001 9.78 Na 1.000e-06 Na+ 1.000e-06 9.980e-07 -6.000 -6.001 -0.001 -0.15 - NaOH 3.920e-23 3.920e-23 -22.407 -22.407 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.739 -49.739 0.000 32.75 @@ -633,7 +625,6 @@ K 1.000e-06 K+ 1.000e-06 9.979e-07 -6.000 -6.001 -0.001 9.88 Na 1.000e-06 Na+ 1.000e-06 9.979e-07 -6.000 -6.001 -0.001 0.02 - NaOH 5.129e-23 5.129e-23 -22.290 -22.290 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.012 -47.012 0.000 33.19 @@ -699,7 +690,6 @@ K 1.000e-06 K+ 1.000e-06 9.978e-07 -6.000 -6.001 -0.001 9.94 Na 1.000e-06 Na+ 1.000e-06 9.978e-07 -6.000 -6.001 -0.001 0.16 - NaOH 6.522e-23 6.522e-23 -22.186 -22.186 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.457 -44.457 0.000 33.61 @@ -766,7 +756,6 @@ K 1.000e-06 K+ 1.000e-06 9.977e-07 -6.000 -6.001 -0.001 9.99 Na 1.000e-06 Na+ 1.000e-06 9.977e-07 -6.000 -6.001 -0.001 0.26 - NaOH 8.079e-23 8.079e-23 -22.093 -22.093 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.059 -42.059 0.000 34.03 @@ -833,7 +822,6 @@ K 1.000e-06 K+ 1.000e-06 9.975e-07 -6.000 -6.001 -0.001 10.01 Na 1.000e-06 Na+ 1.000e-06 9.975e-07 -6.000 -6.001 -0.001 0.34 - NaOH 9.773e-23 9.773e-23 -22.010 -22.010 0.000 (0) O(0) 3.151e-40 O2 1.576e-40 1.576e-40 -39.803 -39.803 0.000 34.45 @@ -900,7 +888,6 @@ K 1.000e-06 K+ 1.000e-06 9.974e-07 -6.000 -6.001 -0.001 10.01 Na 1.000e-06 Na+ 1.000e-06 9.974e-07 -6.000 -6.001 -0.001 0.38 - NaOH 1.156e-22 1.156e-22 -21.937 -21.937 0.000 (0) O(0) 4.214e-38 O2 2.107e-38 2.107e-38 -37.676 -37.676 0.000 34.89 @@ -967,7 +954,6 @@ K 1.000e-06 K+ 1.000e-06 9.972e-07 -6.000 -6.001 -0.001 9.99 Na 1.000e-06 Na+ 1.000e-06 9.972e-07 -6.000 -6.001 -0.001 0.40 - NaOH 1.340e-22 1.340e-22 -21.873 -21.873 0.000 (0) O(0) 3.911e-36 O2 1.955e-36 1.955e-36 -35.709 -35.709 0.000 35.36 @@ -1034,7 +1020,6 @@ K 1.000e-06 K+ 1.000e-06 9.970e-07 -6.000 -6.001 -0.001 9.95 Na 1.000e-06 Na+ 1.000e-06 9.970e-07 -6.000 -6.001 -0.001 0.40 - NaOH 1.524e-22 1.524e-22 -21.817 -21.817 0.000 (0) O(0) 1.850e-16 O2 9.251e-17 9.251e-17 -16.034 -16.034 0.000 35.89 @@ -1101,7 +1086,6 @@ K 1.000e-06 K+ 1.000e-06 9.968e-07 -6.000 -6.001 -0.001 9.89 Na 1.000e-06 Na+ 1.000e-06 9.968e-07 -6.000 -6.001 -0.001 0.37 - NaOH 1.702e-22 1.702e-22 -21.769 -21.769 0.000 (0) O(0) 3.629e-14 O2 1.814e-14 1.814e-14 -13.741 -13.741 0.000 36.48 @@ -1168,7 +1152,6 @@ K 1.000e-06 K+ 1.000e-06 9.967e-07 -6.000 -6.001 -0.001 9.80 Na 1.000e-06 Na+ 1.000e-06 9.967e-07 -6.000 -6.001 -0.001 0.31 - NaOH 1.867e-22 1.867e-22 -21.729 -21.729 0.000 (0) O(0) 2.068e-12 O2 1.034e-12 1.034e-12 -11.985 -11.985 0.000 37.15 @@ -1235,7 +1218,6 @@ K 1.000e-06 K+ 1.000e-06 9.965e-07 -6.000 -6.002 -0.002 9.69 Na 1.000e-06 Na+ 1.000e-06 9.965e-07 -6.000 -6.002 -0.002 0.22 - NaOH 2.015e-22 2.015e-22 -21.696 -21.696 0.000 (0) O(0) 9.518e-11 O2 4.759e-11 4.759e-11 -10.322 -10.322 0.000 37.93 @@ -1302,7 +1284,6 @@ K 1.000e-06 K+ 1.000e-06 9.963e-07 -6.000 -6.002 -0.002 9.53 Na 1.000e-06 Na+ 1.000e-06 9.963e-07 -6.000 -6.002 -0.002 0.09 - NaOH 2.139e-22 2.139e-22 -21.670 -21.670 0.000 (0) O(0) 3.629e-09 O2 1.814e-09 1.814e-09 -8.741 -8.741 0.000 38.85 @@ -1369,7 +1350,6 @@ K 1.000e-06 K+ 1.000e-06 9.961e-07 -6.000 -6.002 -0.002 9.33 Na 1.000e-06 Na+ 1.000e-06 9.961e-07 -6.000 -6.002 -0.002 -0.08 - NaOH 2.235e-22 2.235e-22 -21.651 -21.651 0.000 (0) O(0) 2.128e-09 O2 1.064e-09 1.064e-09 -8.973 -8.973 0.000 39.95 @@ -1436,7 +1416,6 @@ K 1.000e-06 K+ 1.000e-06 9.958e-07 -6.000 -6.002 -0.002 9.07 Na 1.000e-06 Na+ 1.000e-06 9.959e-07 -6.000 -6.002 -0.002 -0.32 - NaOH 2.299e-22 2.299e-22 -21.638 -21.638 0.000 (0) O(0) 2.885e-09 O2 1.442e-09 1.442e-09 -8.841 -8.841 0.000 41.29 @@ -1503,7 +1482,6 @@ K 1.000e-06 K+ 1.000e-06 9.956e-07 -6.000 -6.002 -0.002 8.74 Na 1.000e-06 Na+ 1.000e-06 9.956e-07 -6.000 -6.002 -0.002 -0.62 - NaOH 2.327e-22 2.327e-22 -21.633 -21.633 0.000 (0) O(0) 3.361e-09 O2 1.680e-09 1.680e-09 -8.775 -8.775 0.000 42.94 @@ -1597,7 +1575,6 @@ K 1.000e-06 K+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 7.26 Na 1.000e-06 Na+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 -3.46 - NaOH 3.450e-24 3.450e-24 -23.462 -23.462 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.919 -70.919 0.000 27.49 @@ -1663,7 +1640,6 @@ K 1.000e-06 K+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 8.19 Na 1.000e-06 Na+ 1.000e-06 9.984e-07 -6.000 -6.001 -0.001 -2.30 - NaOH 5.846e-24 5.846e-24 -23.233 -23.233 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -66.676 -66.676 0.000 29.12 @@ -1729,7 +1705,6 @@ K 1.000e-06 K+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 8.92 Na 1.000e-06 Na+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 -1.35 - NaOH 9.360e-24 9.360e-24 -23.029 -23.029 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.762 -62.762 0.000 30.24 @@ -1795,7 +1770,6 @@ K 1.000e-06 K+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 9.46 Na 1.000e-06 Na+ 1.000e-06 9.983e-07 -6.000 -6.001 -0.001 -0.61 - NaOH 1.425e-23 1.425e-23 -22.846 -22.846 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -59.141 -59.141 0.000 31.07 @@ -1861,7 +1835,6 @@ K 1.000e-06 K+ 1.000e-06 9.982e-07 -6.000 -6.001 -0.001 9.81 Na 1.000e-06 Na+ 1.000e-06 9.982e-07 -6.000 -6.001 -0.001 -0.06 - NaOH 2.074e-23 2.074e-23 -22.683 -22.683 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -55.781 -55.781 0.000 31.72 @@ -1927,7 +1900,6 @@ K 1.000e-06 K+ 1.000e-06 9.981e-07 -6.000 -6.001 -0.001 9.96 Na 1.000e-06 Na+ 1.000e-06 9.981e-07 -6.000 -6.001 -0.001 0.28 - NaOH 2.902e-23 2.902e-23 -22.537 -22.537 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.655 -52.655 0.000 32.27 @@ -1993,7 +1965,6 @@ K 1.000e-06 K+ 1.000e-06 9.980e-07 -6.000 -6.001 -0.001 9.91 Na 1.000e-06 Na+ 1.000e-06 9.980e-07 -6.000 -6.001 -0.001 0.42 - NaOH 3.920e-23 3.920e-23 -22.407 -22.407 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.739 -49.739 0.000 32.75 @@ -2059,7 +2030,6 @@ K 1.000e-06 K+ 1.000e-06 9.979e-07 -6.000 -6.001 -0.001 9.67 Na 1.000e-06 Na+ 1.000e-06 9.979e-07 -6.000 -6.001 -0.001 0.36 - NaOH 5.129e-23 5.129e-23 -22.290 -22.290 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.012 -47.012 0.000 33.19 @@ -2125,7 +2095,6 @@ K 1.000e-06 K+ 1.000e-06 9.978e-07 -6.000 -6.001 -0.001 9.24 Na 1.000e-06 Na+ 1.000e-06 9.978e-07 -6.000 -6.001 -0.001 0.09 - NaOH 6.522e-23 6.522e-23 -22.186 -22.186 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.457 -44.457 0.000 33.61 @@ -2192,7 +2161,6 @@ K 1.000e-06 K+ 1.000e-06 9.977e-07 -6.000 -6.001 -0.001 8.61 Na 1.000e-06 Na+ 1.000e-06 9.977e-07 -6.000 -6.001 -0.001 -0.38 - NaOH 8.079e-23 8.079e-23 -22.093 -22.093 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.059 -42.059 0.000 34.03 @@ -2259,7 +2227,6 @@ K 1.000e-06 K+ 1.000e-06 9.975e-07 -6.000 -6.001 -0.001 7.79 Na 1.000e-06 Na+ 1.000e-06 9.975e-07 -6.000 -6.001 -0.001 -1.05 - NaOH 9.773e-23 9.773e-23 -22.010 -22.010 0.000 (0) O(0) 3.151e-40 O2 1.576e-40 1.576e-40 -39.803 -39.803 0.000 34.45 @@ -2326,7 +2293,6 @@ K 1.000e-06 K+ 1.000e-06 9.974e-07 -6.000 -6.001 -0.001 6.77 Na 1.000e-06 Na+ 1.000e-06 9.974e-07 -6.000 -6.001 -0.001 -1.93 - NaOH 1.156e-22 1.156e-22 -21.937 -21.937 0.000 (0) O(0) 4.214e-38 O2 2.107e-38 2.107e-38 -37.676 -37.676 0.000 34.89 @@ -2393,7 +2359,6 @@ K 1.000e-06 K+ 1.000e-06 9.972e-07 -6.000 -6.001 -0.001 5.56 Na 1.000e-06 Na+ 1.000e-06 9.972e-07 -6.000 -6.001 -0.001 -3.01 - NaOH 1.340e-22 1.340e-22 -21.873 -21.873 0.000 (0) O(0) 3.911e-36 O2 1.955e-36 1.955e-36 -35.709 -35.709 0.000 35.36 @@ -2460,7 +2425,6 @@ K 1.000e-06 K+ 1.000e-06 9.970e-07 -6.000 -6.001 -0.001 4.15 Na 1.000e-06 Na+ 1.000e-06 9.970e-07 -6.000 -6.001 -0.001 -4.29 - NaOH 1.523e-22 1.523e-22 -21.817 -21.817 0.000 (0) O(0) 1.850e-16 O2 9.251e-17 9.251e-17 -16.034 -16.034 0.000 35.89 @@ -2527,7 +2491,6 @@ K 1.000e-06 K+ 1.000e-06 9.968e-07 -6.000 -6.001 -0.001 2.55 Na 1.000e-06 Na+ 1.000e-06 9.968e-07 -6.000 -6.001 -0.001 -5.78 - NaOH 1.700e-22 1.700e-22 -21.770 -21.770 0.000 (0) O(0) 3.629e-14 O2 1.814e-14 1.814e-14 -13.741 -13.741 0.000 36.48 @@ -2594,7 +2557,6 @@ K 1.000e-06 K+ 1.000e-06 9.967e-07 -6.000 -6.001 -0.001 0.76 Na 1.000e-06 Na+ 1.000e-06 9.967e-07 -6.000 -6.001 -0.001 -7.47 - NaOH 1.864e-22 1.864e-22 -21.729 -21.729 0.000 (0) O(0) 2.068e-12 O2 1.034e-12 1.034e-12 -11.985 -11.985 0.000 37.15 @@ -2661,7 +2623,6 @@ K 1.000e-06 K+ 1.000e-06 9.965e-07 -6.000 -6.002 -0.002 -1.23 Na 1.000e-06 Na+ 1.000e-06 9.965e-07 -6.000 -6.002 -0.002 -9.36 - NaOH 2.010e-22 2.010e-22 -21.697 -21.697 0.000 (0) O(0) 9.518e-11 O2 4.759e-11 4.759e-11 -10.322 -10.322 0.000 37.93 @@ -2728,7 +2689,6 @@ K 1.000e-06 K+ 1.000e-06 9.963e-07 -6.000 -6.002 -0.002 -3.42 Na 1.000e-06 Na+ 1.000e-06 9.963e-07 -6.000 -6.002 -0.002 -11.45 - NaOH 2.131e-22 2.131e-22 -21.671 -21.671 0.000 (0) O(0) 3.629e-09 O2 1.814e-09 1.814e-09 -8.741 -8.741 0.000 38.85 @@ -2795,7 +2755,6 @@ K 1.000e-06 K+ 1.000e-06 9.961e-07 -6.000 -6.002 -0.002 -5.79 Na 1.000e-06 Na+ 1.000e-06 9.961e-07 -6.000 -6.002 -0.002 -13.75 - NaOH 2.222e-22 2.222e-22 -21.653 -21.653 0.000 (0) O(0) 2.128e-09 O2 1.064e-09 1.064e-09 -8.973 -8.973 0.000 39.95 @@ -2862,7 +2821,6 @@ K 1.000e-06 K+ 1.000e-06 9.958e-07 -6.000 -6.002 -0.002 -8.37 Na 1.000e-06 Na+ 1.000e-06 9.958e-07 -6.000 -6.002 -0.002 -16.24 - NaOH 2.280e-22 2.280e-22 -21.642 -21.642 0.000 (0) O(0) 2.885e-09 O2 1.442e-09 1.442e-09 -8.841 -8.841 0.000 41.29 @@ -2929,7 +2887,6 @@ K 1.000e-06 K+ 1.000e-06 9.956e-07 -6.000 -6.002 -0.002 -11.13 Na 1.000e-06 Na+ 1.000e-06 9.956e-07 -6.000 -6.002 -0.002 -18.95 - NaOH 2.300e-22 2.300e-22 -21.638 -21.638 0.000 (0) O(0) 3.361e-09 O2 1.680e-09 1.680e-09 -8.775 -8.775 0.000 42.94 diff --git a/mytest/mV1_rho_101.sel b/mytest/mV1_rho_101.sel index d78f19ab6..68a0b0cba 100644 --- a/mytest/mV1_rho_101.sel +++ b/mytest/mV1_rho_101.sel @@ -1,44 +1,44 @@ Mu SC - 0.000002100779 0.3291288629 + 0.000002100779 0.3291288630 0.000002034005 0.1572390061 0.000002058045 0.2277063920 - 0.000002093307 0.3126667038 - 0.000002142375 0.4150384284 + 0.000002093307 0.3126667039 + 0.000002142375 0.4150384285 0.000002207574 0.5381095755 - 0.000002290729 0.6849608135 - 0.000002392948 0.8579006063 - 0.000002514450 1.0579518124 - 0.000002654443 1.2844421476 - 0.000002811111 1.5347906623 - 0.000002981682 1.8044950210 - 0.000003162274 2.0870230852 - 0.000003348276 2.3743585913 - 0.000003534488 2.6574117808 - 0.000003715386 2.9266070574 - 0.000003885412 3.1725267683 - 0.000004039287 3.3865555348 - 0.000004172331 3.5614167976 - 0.000004280757 3.6918528135 - 0.000004361954 3.7746579611 - 0.000004414724 3.8091640701 + 0.000002290729 0.6849608124 + 0.000002392948 0.8579006025 + 0.000002514450 1.0579518023 + 0.000002654443 1.2844421251 + 0.000002811111 1.5347906182 + 0.000002981682 1.8044949428 + 0.000003162274 2.0870229579 + 0.000003348276 2.3743584005 + 0.000003534488 2.6574115174 + 0.000003715386 2.9266067292 + 0.000003885412 3.1725264351 + 0.000004039287 3.3865555534 + 0.000004172331 3.5614131069 + 0.000004280757 3.6918512721 + 0.000004361954 3.7746566500 + 0.000004414724 3.8091628522 0.000002034005 0.0114346771 0.000002058045 0.0251959951 - 0.000002093307 0.0492186337 + 0.000002093307 0.0492186338 0.000002142375 0.0876242483 - 0.000002207574 0.1447585780 - 0.000002290729 0.2247099180 - 0.000002392948 0.3307662435 - 0.000002514450 0.4648887262 - 0.000002654443 0.6272779000 - 0.000002811111 0.8161372314 - 0.000002981682 1.0276473105 - 0.000003162274 1.2558460252 - 0.000003348276 1.4931721260 - 0.000003534488 1.7308825198 - 0.000003715386 1.9596396644 - 0.000003885412 2.1701926016 - 0.000004039287 2.3539977702 - 0.000004172331 2.5038447310 - 0.000004280757 2.6143507764 - 0.000004361954 2.6823333365 - 0.000004414724 2.7070372861 + 0.000002207574 0.1447585779 + 0.000002290729 0.2247099173 + 0.000002392948 0.3307662408 + 0.000002514450 0.4648887186 + 0.000002654443 0.6272778831 + 0.000002811111 0.8161372000 + 0.000002981682 1.0276472626 + 0.000003162274 1.2558459753 + 0.000003348276 1.4931721644 + 0.000003534488 1.7308835228 + 0.000003715386 1.9596375877 + 0.000003885412 2.1701911773 + 0.000004039287 2.3539963256 + 0.000004172331 2.5038431613 + 0.000004280757 2.6143491194 + 0.000004361954 2.6823316327 + 0.000004414724 2.7070355480 diff --git a/mytest/mV2_rho.out b/mytest/mV2_rho.out index 23ae9773a..13cfe54c8 100644 --- a/mytest/mV2_rho.out +++ b/mytest/mV2_rho.out @@ -1330,7 +1330,7 @@ Using temperature 1. Specific Conductance (µS/cm, 196°C) = 5 Density (g/cm³) = 0.86987 Volume (L) = 1.14960 - Viscosity (mPa s) = 0.13786 + Viscosity (mPa s) = 0.13785 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.113e-05 Mass of water (kg) = 1.000e+00 diff --git a/mytest/mV2_rho_101.sel b/mytest/mV2_rho_101.sel index 125a1f0a3..888ffbd8d 100644 --- a/mytest/mV2_rho_101.sel +++ b/mytest/mV2_rho_101.sel @@ -1,44 +1,44 @@ Mu SC - 0.000009100906 0.8434283281 - 0.000009034042 0.4289619791 - 0.000009058118 0.6066509704 - 0.000009093425 0.8064460983 - 0.000009142549 1.0282532975 - 0.000009207809 1.2726628653 - 0.000009291019 1.5403268722 - 0.000009393267 1.8314613734 - 0.000009514739 2.1454234085 - 0.000009654589 2.4803578452 - 0.000009810926 2.8329729971 - 0.000009980868 3.1984508258 - 0.000010160378 3.5702802775 - 0.000010344627 3.9406337239 - 0.000010528117 4.3006571047 - 0.000010704918 4.6409422995 - 0.000010868925 4.9520802462 - 0.000011014139 5.2252460882 - 0.000011134943 5.4525807378 - 0.000011226383 5.6283095154 - 0.000011284460 5.7480393289 - 0.000011306462 5.8099456814 + 0.000009100906 0.8434283275 + 0.000009034042 0.4289619788 + 0.000009058118 0.6066509700 + 0.000009093425 0.8064460977 + 0.000009142549 1.0282532963 + 0.000009207809 1.2726628621 + 0.000009291019 1.5403268643 + 0.000009393267 1.8314613553 + 0.000009514739 2.1454233712 + 0.000009654589 2.4803577742 + 0.000009810926 2.8329728714 + 0.000009980868 3.1984506154 + 0.000010160378 3.5702799418 + 0.000010344627 3.9406332068 + 0.000010528117 4.3006563242 + 0.000010704918 4.6409411145 + 0.000010868925 4.9520783212 + 0.000011014139 5.2252418454 + 0.000011134943 5.4525920037 + 0.000011226383 5.6283111631 + 0.000011284460 5.7480399015 + 0.000011306462 5.8099458213 0.000009034042 0.4125734029 - 0.000009058118 0.5945122068 - 0.000009093425 0.8037584001 - 0.000009142549 1.0403696891 - 0.000009207809 1.3048630020 - 0.000009291019 1.5976410079 - 0.000009393267 1.9185233786 - 0.000009514739 2.2663499051 - 0.000009654589 2.6386553943 - 0.000009810926 3.0314747881 - 0.000009980869 3.4392813004 - 0.000010160380 3.8548463568 - 0.000010344632 4.2696391034 - 0.000010528132 4.6741354307 - 0.000010704955 5.0582912050 - 0.000010869010 5.4121486558 - 0.000011014323 5.7263543054 - 0.000011135318 5.9927612147 - 0.000011227108 6.2048898047 - 0.000011285787 6.3582995985 - 0.000011308749 6.4508469887 + 0.000009058118 0.5945122069 + 0.000009093425 0.8037584003 + 0.000009142549 1.0403696894 + 0.000009207809 1.3048630021 + 0.000009291019 1.5976410069 + 0.000009393267 1.9185233748 + 0.000009514739 2.2663498953 + 0.000009654589 2.6386553731 + 0.000009810926 3.0314747470 + 0.000009980869 3.4392812272 + 0.000010160380 3.8548462332 + 0.000010344632 4.2696388967 + 0.000010528132 4.6741349839 + 0.000010704955 5.0582911346 + 0.000010869010 5.4121483590 + 0.000011014323 5.7263538789 + 0.000011135318 5.9927606729 + 0.000011227108 6.2048891872 + 0.000011285787 6.3582989387 + 0.000011308749 6.4508463041 diff --git a/mytest/mV_SO4_rho.out b/mytest/mV_SO4_rho.out index da432d8ec..ac9803b4b 100644 --- a/mytest/mV_SO4_rho.out +++ b/mytest/mV_SO4_rho.out @@ -104,7 +104,6 @@ H(0) 1.416e-25 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.001 -1.52 NaSO4- 2.910e-12 2.907e-12 -11.536 -11.537 -0.001 -27.49 - NaOH 6.066e-24 6.066e-24 -23.217 -23.217 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 2.994e-07 @@ -173,7 +172,6 @@ H(0) 1.191e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.000 -3.59 NaSO4- 2.115e-12 2.112e-12 -11.675 -11.675 -0.000 -35.77 - NaOH 2.071e-24 2.071e-24 -23.684 -23.684 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.736 -72.736 0.000 27.49 S(-2) 1.420e-21 @@ -245,7 +243,6 @@ H(0) 1.260e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.000 -2.33 NaSO4- 2.565e-12 2.562e-12 -11.591 -11.591 -0.000 -30.65 - NaOH 3.664e-24 3.664e-24 -23.436 -23.436 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.190 -68.190 0.000 29.24 S(-2) 4.552e-23 @@ -317,7 +314,6 @@ H(0) 1.416e-25 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.001 -1.52 NaSO4- 2.910e-12 2.907e-12 -11.536 -11.537 -0.001 -27.49 - NaOH 6.066e-24 6.066e-24 -23.217 -23.217 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(-2) 0.000e+00 @@ -370,7 +366,7 @@ Using temperature 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.215e-09 Temperature (°C) = 37.50 - Electrical balance (eq) = -2.611e-18 + Electrical balance (eq) = -2.613e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -389,7 +385,6 @@ H(0) 1.795e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.001 -0.97 NaSO4- 3.173e-12 3.169e-12 -11.499 -11.499 -0.001 -25.44 - NaOH 9.473e-24 9.473e-24 -23.024 -23.024 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.414 -60.414 0.000 31.25 S(-2) 2.903e-25 @@ -461,7 +456,6 @@ H(0) 1.987e-14 Na 6.000e-07 Na+ 6.000e-07 5.992e-07 -6.222 -6.222 -0.001 -0.57 NaSO4- 3.390e-12 3.386e-12 -11.470 -11.470 -0.001 -24.09 - NaOH 1.406e-23 1.406e-23 -22.852 -22.852 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.930 -56.930 0.000 31.92 S(-2) 2.508e-26 @@ -533,7 +527,6 @@ H(0) 1.293e-14 Na 6.000e-07 Na+ 6.000e-07 5.992e-07 -6.222 -6.222 -0.001 -0.28 NaSO4- 3.608e-12 3.603e-12 -11.443 -11.443 -0.001 -23.24 - NaOH 1.994e-23 1.994e-23 -22.700 -22.700 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.251 -53.251 0.000 32.49 S(-2) 3.225e-28 @@ -605,7 +598,6 @@ H(0) 1.260e-14 Na 6.000e-07 Na+ 6.000e-07 5.991e-07 -6.222 -6.223 -0.001 -0.06 NaSO4- 3.868e-12 3.862e-12 -11.413 -11.413 -0.001 -22.76 - NaOH 2.718e-23 2.718e-23 -22.566 -22.566 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.160 -50.160 0.000 32.99 S(-2) 2.543e-29 @@ -677,7 +669,6 @@ H(0) 1.226e-14 Na 6.000e-07 Na+ 6.000e-07 5.990e-07 -6.222 -6.223 -0.001 0.11 NaSO4- 4.217e-12 4.210e-12 -11.375 -11.376 -0.001 -22.60 - NaOH 3.576e-23 3.576e-23 -22.447 -22.447 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.280 -47.280 0.000 33.45 S(-2) 2.402e-30 @@ -749,7 +740,6 @@ H(0) 1.146e-14 Na 6.000e-07 Na+ 6.000e-07 5.989e-07 -6.222 -6.223 -0.001 0.23 NaSO4- 4.706e-12 4.698e-12 -11.327 -11.328 -0.001 -22.73 - NaOH 4.556e-23 4.556e-23 -22.341 -22.341 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.557 -44.557 0.000 33.90 S(-2) 2.287e-31 @@ -803,7 +793,7 @@ Using temperature 1. Total alkalinity (eq/kg) = 1.215e-09 Temperature (°C) = 112.50 Pressure (atm) = 1.54 - Electrical balance (eq) = 4.142e-18 + Electrical balance (eq) = 4.138e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -822,7 +812,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.988e-07 -6.222 -6.223 -0.001 0.32 NaSO4- 5.408e-12 5.397e-12 -11.267 -11.268 -0.001 -23.14 - NaOH 5.641e-23 5.641e-23 -22.249 -22.249 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.065 -42.065 0.000 34.35 S(-2) 3.322e-32 @@ -895,7 +884,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.987e-07 -6.222 -6.223 -0.001 0.38 NaSO4- 6.419e-12 6.406e-12 -11.193 -11.193 -0.001 -23.84 - NaOH 6.801e-23 6.801e-23 -22.167 -22.167 0.000 (0) O(0) 3.726e-40 O2 1.863e-40 1.863e-40 -39.730 -39.730 0.000 34.83 S(-2) 5.567e-33 @@ -968,7 +956,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.986e-07 -6.222 -6.223 -0.001 0.40 NaSO4- 7.892e-12 7.874e-12 -11.103 -11.104 -0.001 -24.85 - NaOH 8.001e-23 8.001e-23 -22.097 -22.097 0.000 (0) O(0) 5.809e-38 O2 2.904e-38 2.904e-38 -37.537 -37.537 0.000 35.34 S(-2) 1.060e-33 @@ -1041,7 +1028,6 @@ H(0) 2.175e-14 Na 6.000e-07 Na+ 6.000e-07 5.985e-07 -6.222 -6.223 -0.001 0.40 NaSO4- 1.007e-11 1.004e-11 -10.997 -10.998 -0.001 -26.23 - NaOH 9.201e-23 9.201e-23 -22.036 -22.036 0.000 (0) O(0) 1.860e-36 O2 9.299e-37 9.299e-37 -36.032 -36.032 0.000 35.91 S(-2) 2.959e-33 @@ -1114,7 +1100,6 @@ H(0) 1.139e-24 Na 6.000e-07 Na+ 6.000e-07 5.984e-07 -6.222 -6.223 -0.001 0.36 NaSO4- 1.333e-11 1.330e-11 -10.875 -10.876 -0.001 -28.03 - NaOH 1.036e-22 1.036e-22 -21.985 -21.985 0.000 (0) O(0) 5.959e-14 O2 2.979e-14 2.979e-14 -13.526 -13.526 0.000 36.56 S(-2) 0.000e+00 @@ -1187,7 +1172,6 @@ H(0) 1.047e-24 Na 6.000e-07 Na+ 6.000e-07 5.983e-07 -6.222 -6.223 -0.001 0.29 NaSO4- 1.834e-11 1.828e-11 -10.737 -10.738 -0.001 -30.34 - NaOH 1.142e-22 1.142e-22 -21.942 -21.942 0.000 (0) O(0) 4.833e-12 O2 2.416e-12 2.416e-12 -11.617 -11.617 0.000 37.31 S(-2) 0.000e+00 @@ -1260,7 +1244,6 @@ H(0) 9.898e-25 Na 6.000e-07 Na+ 6.000e-07 5.981e-07 -6.222 -6.223 -0.001 0.18 NaSO4- 2.616e-11 2.608e-11 -10.582 -10.584 -0.001 -33.29 - NaOH 1.236e-22 1.236e-22 -21.908 -21.908 0.000 (0) O(0) 2.939e-10 O2 1.469e-10 1.469e-10 -9.833 -9.833 0.000 38.19 S(-2) 0.000e+00 @@ -1314,7 +1297,7 @@ Using temperature 1. Total alkalinity (eq/kg) = 1.215e-09 Temperature (°C) = 200.00 Pressure (atm) = 15.38 - Electrical balance (eq) = -2.740e-18 + Electrical balance (eq) = -2.738e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -1333,7 +1316,6 @@ H(0) 1.547e-24 Na 6.000e-07 Na+ 6.000e-07 5.980e-07 -6.222 -6.223 -0.001 0.03 NaSO4- 3.864e-11 3.851e-11 -10.413 -10.414 -0.001 -37.04 - NaOH 1.312e-22 1.312e-22 -21.882 -21.882 0.000 (0) O(0) 5.288e-09 O2 2.644e-09 2.644e-09 -8.578 -8.578 0.000 39.26 S(-2) 0.000e+00 @@ -1406,7 +1388,6 @@ H(0) 1.086e-23 Na 6.000e-07 Na+ 5.999e-07 5.979e-07 -6.222 -6.223 -0.002 -0.19 NaSO4- 5.894e-11 5.873e-11 -10.230 -10.231 -0.002 -41.81 - NaOH 1.367e-22 1.367e-22 -21.864 -21.864 0.000 (0) O(0) 3.877e-09 O2 1.939e-09 1.939e-09 -8.713 -8.713 0.000 40.56 S(-2) 0.000e+00 @@ -1479,7 +1460,6 @@ H(0) 7.643e-23 Na 6.000e-07 Na+ 5.999e-07 5.977e-07 -6.222 -6.224 -0.002 -0.48 NaSO4- 9.247e-11 9.213e-11 -10.034 -10.036 -0.002 -47.94 - NaOH 1.400e-22 1.400e-22 -21.854 -21.854 0.000 (0) O(0) 2.362e-09 O2 1.181e-09 1.181e-09 -8.928 -8.928 0.000 42.18 S(-2) 0.000e+00 @@ -1552,7 +1532,6 @@ H(0) 3.267e-22 Na 6.000e-07 Na+ 5.999e-07 5.975e-07 -6.222 -6.224 -0.002 -0.88 NaSO4- 1.485e-10 1.480e-10 -9.828 -9.830 -0.002 -55.89 - NaOH 1.406e-22 1.406e-22 -21.852 -21.852 0.000 (0) O(0) 3.292e-09 O2 1.646e-09 1.646e-09 -8.784 -8.784 0.000 44.24 S(-2) 0.000e+00 @@ -1625,7 +1604,6 @@ H(0) 1.398e-21 Na 6.000e-07 Na+ 5.998e-07 5.973e-07 -6.222 -6.224 -0.002 -1.41 NaSO4- 2.429e-10 2.419e-10 -9.615 -9.616 -0.002 -66.34 - NaOH 1.386e-22 1.386e-22 -21.858 -21.858 0.000 (0) O(0) 3.911e-09 O2 1.955e-09 1.955e-09 -8.709 -8.709 0.000 46.90 S(-2) 0.000e+00 @@ -1720,7 +1698,6 @@ H(0) 1.189e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.000 -2.63 NaSO4- 3.969e-12 3.965e-12 -11.401 -11.402 -0.000 -29.01 - NaOH 2.214e-24 2.214e-24 -23.655 -23.655 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.019 -73.019 0.000 27.50 S(-2) 3.018e-21 @@ -1794,7 +1771,6 @@ H(0) 1.238e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.000 -1.41 NaSO4- 4.501e-12 4.496e-12 -11.347 -11.347 -0.000 -24.89 - NaOH 3.958e-24 3.958e-24 -23.402 -23.402 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.453 -68.453 0.000 29.00 S(-2) 8.440e-23 @@ -1868,7 +1844,6 @@ H(0) 2.162e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.001 -0.63 NaSO4- 4.855e-12 4.849e-12 -11.314 -11.314 -0.001 -22.36 - NaOH 6.581e-24 6.581e-24 -23.182 -23.182 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.720 -64.720 0.000 29.99 S(-2) 2.549e-23 @@ -1942,7 +1917,6 @@ H(0) 1.468e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.001 -0.10 NaSO4- 5.078e-12 5.072e-12 -11.294 -11.295 -0.001 -20.72 - NaOH 1.029e-23 1.029e-23 -22.988 -22.988 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.503 -60.503 0.000 30.72 S(-2) 2.325e-25 @@ -2016,7 +1990,6 @@ H(0) 1.184e-14 Na 6.000e-07 Na+ 6.000e-07 5.992e-07 -6.222 -6.222 -0.001 0.29 NaSO4- 5.238e-12 5.231e-12 -11.281 -11.281 -0.001 -19.65 - NaOH 1.524e-23 1.524e-23 -22.817 -22.817 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.737 -56.737 0.000 31.30 S(-2) 5.418e-27 @@ -2090,7 +2063,6 @@ H(0) 1.178e-14 Na 6.000e-07 Na+ 6.000e-07 5.992e-07 -6.222 -6.222 -0.001 0.58 NaSO4- 5.400e-12 5.392e-12 -11.268 -11.268 -0.001 -18.98 - NaOH 2.157e-23 2.157e-23 -22.666 -22.666 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.418 -53.418 0.000 31.78 S(-2) 3.649e-28 @@ -2164,7 +2136,6 @@ H(0) 1.169e-14 Na 6.000e-07 Na+ 6.000e-07 5.991e-07 -6.222 -6.223 -0.001 0.79 NaSO4- 5.623e-12 5.615e-12 -11.250 -11.251 -0.001 -18.62 - NaOH 2.930e-23 2.930e-23 -22.533 -22.533 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.334 -50.334 0.000 32.21 S(-2) 2.978e-29 @@ -2238,7 +2209,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.990e-07 -6.222 -6.223 -0.001 0.96 NaSO4- 5.964e-12 5.954e-12 -11.224 -11.225 -0.001 -18.52 - NaOH 3.838e-23 3.838e-23 -22.416 -22.416 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.452 -47.452 0.000 32.61 S(-2) 2.780e-30 @@ -2312,7 +2282,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.989e-07 -6.222 -6.223 -0.001 1.08 NaSO4- 6.483e-12 6.471e-12 -11.188 -11.189 -0.001 -18.64 - NaOH 4.867e-23 4.867e-23 -22.313 -22.313 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.780 -44.780 0.000 32.99 S(-2) 3.337e-31 @@ -2386,7 +2355,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.988e-07 -6.222 -6.223 -0.001 1.17 NaSO4- 7.255e-12 7.241e-12 -11.139 -11.140 -0.001 -18.99 - NaOH 5.991e-23 5.991e-23 -22.222 -22.222 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.281 -42.281 0.000 33.37 S(-2) 4.678e-32 @@ -2460,7 +2428,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.987e-07 -6.222 -6.223 -0.001 1.23 NaSO4- 8.387e-12 8.369e-12 -11.076 -11.077 -0.001 -19.56 - NaOH 7.177e-23 7.177e-23 -22.144 -22.144 0.000 (0) O(0) 2.303e-40 O2 1.152e-40 1.152e-40 -39.939 -39.939 0.000 33.77 S(-2) 7.555e-33 @@ -2534,7 +2501,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.986e-07 -6.222 -6.223 -0.001 1.27 NaSO4- 1.004e-11 1.001e-11 -10.998 -10.999 -0.001 -20.38 - NaOH 8.384e-23 8.384e-23 -22.077 -22.077 0.000 (0) O(0) 3.647e-38 O2 1.823e-38 1.823e-38 -37.739 -37.739 0.000 34.20 S(-2) 1.387e-33 @@ -2608,7 +2574,6 @@ H(0) 1.697e-14 Na 6.000e-07 Na+ 6.000e-07 5.985e-07 -6.222 -6.223 -0.001 1.28 NaSO4- 1.245e-11 1.242e-11 -10.905 -10.906 -0.001 -21.47 - NaOH 9.565e-23 9.565e-23 -22.019 -22.019 0.000 (0) O(0) 1.947e-36 O2 9.737e-37 9.737e-37 -36.012 -36.012 0.000 34.66 S(-2) 1.382e-33 @@ -2682,7 +2647,6 @@ H(0) 9.015e-25 Na 6.000e-07 Na+ 6.000e-07 5.984e-07 -6.222 -6.223 -0.001 1.26 NaSO4- 1.603e-11 1.598e-11 -10.795 -10.796 -0.001 -22.87 - NaOH 1.067e-22 1.067e-22 -21.972 -21.972 0.000 (0) O(0) 6.164e-14 O2 3.082e-14 3.082e-14 -13.511 -13.511 0.000 35.18 S(-2) 0.000e+00 @@ -2756,7 +2720,6 @@ H(0) 8.359e-25 Na 6.000e-07 Na+ 6.000e-07 5.982e-07 -6.222 -6.223 -0.001 1.21 NaSO4- 2.138e-11 2.132e-11 -10.670 -10.671 -0.001 -24.64 - NaOH 1.165e-22 1.165e-22 -21.934 -21.934 0.000 (0) O(0) 4.982e-12 O2 2.491e-12 2.491e-12 -11.604 -11.604 0.000 35.77 S(-2) 0.000e+00 @@ -2830,7 +2793,6 @@ H(0) 7.970e-25 Na 6.000e-07 Na+ 6.000e-07 5.981e-07 -6.222 -6.223 -0.001 1.14 NaSO4- 2.954e-11 2.945e-11 -10.530 -10.531 -0.001 -26.84 - NaOH 1.246e-22 1.246e-22 -21.904 -21.904 0.000 (0) O(0) 3.023e-10 O2 1.512e-10 1.512e-10 -9.821 -9.821 0.000 36.45 S(-2) 0.000e+00 @@ -2878,7 +2840,7 @@ Using pressure 1. Specific Conductance (µS/cm, 200°C) = 3 Density (g/cm³) = 0.88470 Volume (L) = 1.13033 - Viscosity (mPa s) = 0.14152 + Viscosity (mPa s) = 0.14151 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.488e-06 Mass of water (kg) = 1.000e+00 @@ -2904,7 +2866,6 @@ H(0) 1.256e-24 Na 6.000e-07 Na+ 6.000e-07 5.980e-07 -6.222 -6.223 -0.001 1.03 NaSO4- 4.220e-11 4.206e-11 -10.375 -10.376 -0.001 -29.58 - NaOH 1.306e-22 1.306e-22 -21.884 -21.884 0.000 (0) O(0) 5.427e-09 O2 2.713e-09 2.713e-09 -8.566 -8.566 0.000 37.25 S(-2) 0.000e+00 @@ -2978,7 +2939,6 @@ H(0) 8.897e-24 Na 6.000e-07 Na+ 5.999e-07 5.978e-07 -6.222 -6.223 -0.002 0.88 NaSO4- 6.215e-11 6.193e-11 -10.207 -10.208 -0.002 -32.99 - NaOH 1.342e-22 1.342e-22 -21.872 -21.872 0.000 (0) O(0) 3.967e-09 O2 1.983e-09 1.983e-09 -8.703 -8.703 0.000 38.20 S(-2) 0.000e+00 @@ -3052,7 +3012,6 @@ H(0) 6.314e-23 Na 6.000e-07 Na+ 5.999e-07 5.977e-07 -6.222 -6.224 -0.002 0.68 NaSO4- 9.405e-11 9.370e-11 -10.027 -10.028 -0.002 -37.24 - NaOH 1.351e-22 1.351e-22 -21.869 -21.869 0.000 (0) O(0) 2.407e-09 O2 1.204e-09 1.204e-09 -8.919 -8.919 0.000 39.34 S(-2) 0.000e+00 @@ -3107,7 +3066,7 @@ Using pressure 1. Total alkalinity (eq/kg) = 1.215e-09 Temperature (°C) = 237.50 Pressure (atm) = 300.00 - Electrical balance (eq) = -2.723e-18 + Electrical balance (eq) = -2.721e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.110124e+02 @@ -3126,7 +3085,6 @@ H(0) 2.723e-22 Na 6.000e-07 Na+ 5.999e-07 5.975e-07 -6.222 -6.224 -0.002 0.42 NaSO4- 1.456e-10 1.450e-10 -9.837 -9.839 -0.002 -42.58 - NaOH 1.332e-22 1.332e-22 -21.875 -21.875 0.000 (0) O(0) 3.341e-09 O2 1.671e-09 1.671e-09 -8.777 -8.777 0.000 40.75 S(-2) 0.000e+00 @@ -3200,7 +3158,6 @@ H(0) 1.177e-21 Na 6.000e-07 Na+ 5.998e-07 5.973e-07 -6.222 -6.224 -0.002 0.07 NaSO4- 2.295e-10 2.285e-10 -9.639 -9.641 -0.002 -49.36 - NaOH 1.286e-22 1.286e-22 -21.891 -21.891 0.000 (0) O(0) 3.948e-09 O2 1.974e-09 1.974e-09 -8.705 -8.705 0.000 42.50 S(-2) 0.000e+00 @@ -3300,7 +3257,6 @@ H(0) 1.191e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.000 -3.46 NaSO4- 2.115e-12 2.112e-12 -11.675 -11.675 -0.000 -35.77 - NaOH 2.071e-24 2.071e-24 -23.684 -23.684 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.736 -72.736 0.000 27.49 S(-2) 1.420e-21 @@ -3353,7 +3309,7 @@ Using temperature 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.215e-09 Temperature (°C) = 12.50 - Electrical balance (eq) = -2.767e-18 + Electrical balance (eq) = -2.764e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -3372,7 +3328,6 @@ H(0) 1.260e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.000 -2.21 NaSO4- 2.565e-12 2.562e-12 -11.591 -11.591 -0.000 -30.65 - NaOH 3.664e-24 3.664e-24 -23.436 -23.436 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.190 -68.190 0.000 29.24 S(-2) 4.552e-23 @@ -3444,7 +3399,6 @@ H(0) 5.647e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.001 -1.21 NaSO4- 2.910e-12 2.907e-12 -11.536 -11.537 -0.001 -27.49 - NaOH 6.066e-24 6.066e-24 -23.217 -23.217 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.282 -65.282 0.000 30.40 S(-2) 6.318e-22 @@ -3516,7 +3470,6 @@ H(0) 1.795e-14 Na 6.000e-07 Na+ 6.000e-07 5.993e-07 -6.222 -6.222 -0.001 -0.44 NaSO4- 3.173e-12 3.169e-12 -11.499 -11.499 -0.001 -25.44 - NaOH 9.473e-24 9.473e-24 -23.024 -23.024 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.414 -60.414 0.000 31.25 S(-2) 2.903e-25 @@ -3588,7 +3541,6 @@ H(0) 1.987e-14 Na 6.000e-07 Na+ 6.000e-07 5.992e-07 -6.222 -6.222 -0.001 0.08 NaSO4- 3.390e-12 3.386e-12 -11.470 -11.470 -0.001 -24.09 - NaOH 1.406e-23 1.406e-23 -22.852 -22.852 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.930 -56.930 0.000 31.92 S(-2) 2.508e-26 @@ -3660,7 +3612,6 @@ H(0) 1.293e-14 Na 6.000e-07 Na+ 6.000e-07 5.992e-07 -6.222 -6.222 -0.001 0.37 NaSO4- 3.608e-12 3.603e-12 -11.443 -11.443 -0.001 -23.24 - NaOH 1.994e-23 1.994e-23 -22.700 -22.700 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.251 -53.251 0.000 32.49 S(-2) 3.225e-28 @@ -3732,7 +3683,6 @@ H(0) 1.260e-14 Na 6.000e-07 Na+ 6.000e-07 5.991e-07 -6.222 -6.223 -0.001 0.41 NaSO4- 3.868e-12 3.862e-12 -11.413 -11.413 -0.001 -22.76 - NaOH 2.718e-23 2.718e-23 -22.566 -22.566 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.160 -50.160 0.000 32.99 S(-2) 2.543e-29 @@ -3804,7 +3754,6 @@ H(0) 1.226e-14 Na 6.000e-07 Na+ 6.000e-07 5.990e-07 -6.222 -6.223 -0.001 0.22 NaSO4- 4.217e-12 4.210e-12 -11.375 -11.376 -0.001 -22.60 - NaOH 3.576e-23 3.576e-23 -22.447 -22.447 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.280 -47.280 0.000 33.45 S(-2) 2.402e-30 @@ -3857,7 +3806,7 @@ Using temperature 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.215e-09 Temperature (°C) = 100.00 - Electrical balance (eq) = -2.723e-18 + Electrical balance (eq) = -2.720e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+02 @@ -3876,7 +3825,6 @@ H(0) 1.146e-14 Na 6.000e-07 Na+ 6.000e-07 5.989e-07 -6.222 -6.223 -0.001 -0.22 NaSO4- 4.706e-12 4.698e-12 -11.327 -11.328 -0.001 -22.73 - NaOH 4.556e-23 4.556e-23 -22.341 -22.341 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.557 -44.557 0.000 33.90 S(-2) 2.287e-31 @@ -3930,7 +3878,7 @@ Using temperature 1. Total alkalinity (eq/kg) = 1.215e-09 Temperature (°C) = 112.50 Pressure (atm) = 1.54 - Electrical balance (eq) = 4.147e-18 + Electrical balance (eq) = 4.149e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 1.110124e+02 @@ -3949,7 +3897,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.988e-07 -6.222 -6.223 -0.001 -0.89 NaSO4- 5.406e-12 5.395e-12 -11.267 -11.268 -0.001 -23.14 - NaOH 5.641e-23 5.641e-23 -22.249 -22.249 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.065 -42.065 0.000 34.35 S(-2) 3.321e-32 @@ -4022,7 +3969,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.987e-07 -6.222 -6.223 -0.001 -1.81 NaSO4- 6.413e-12 6.399e-12 -11.193 -11.194 -0.001 -23.84 - NaOH 6.800e-23 6.800e-23 -22.167 -22.167 0.000 (0) O(0) 3.726e-40 O2 1.863e-40 1.863e-40 -39.730 -39.730 0.000 34.83 S(-2) 5.562e-33 @@ -4095,7 +4041,6 @@ H(0) 1.145e-14 Na 6.000e-07 Na+ 6.000e-07 5.986e-07 -6.222 -6.223 -0.001 -2.96 NaSO4- 7.875e-12 7.857e-12 -11.104 -11.105 -0.001 -24.85 - NaOH 7.999e-23 7.999e-23 -22.097 -22.097 0.000 (0) O(0) 5.809e-38 O2 2.904e-38 2.904e-38 -37.537 -37.537 0.000 35.34 S(-2) 1.058e-33 @@ -4168,7 +4113,6 @@ H(0) 2.175e-14 Na 6.000e-07 Na+ 6.000e-07 5.985e-07 -6.222 -6.223 -0.001 -4.35 NaSO4- 1.003e-11 1.000e-11 -10.999 -11.000 -0.001 -26.23 - NaOH 9.197e-23 9.197e-23 -22.036 -22.036 0.000 (0) O(0) 1.860e-36 O2 9.299e-37 9.299e-37 -36.032 -36.032 0.000 35.91 S(-2) 2.948e-33 @@ -4241,7 +4185,6 @@ H(0) 1.139e-24 Na 6.000e-07 Na+ 6.000e-07 5.984e-07 -6.222 -6.223 -0.001 -5.99 NaSO4- 1.324e-11 1.320e-11 -10.878 -10.879 -0.001 -28.03 - NaOH 1.035e-22 1.035e-22 -21.985 -21.985 0.000 (0) O(0) 5.959e-14 O2 2.979e-14 2.979e-14 -13.526 -13.526 0.000 36.56 S(-2) 0.000e+00 @@ -4314,7 +4257,6 @@ H(0) 1.047e-24 Na 6.000e-07 Na+ 6.000e-07 5.983e-07 -6.222 -6.223 -0.001 -7.86 NaSO4- 1.813e-11 1.807e-11 -10.742 -10.743 -0.001 -30.34 - NaOH 1.140e-22 1.140e-22 -21.943 -21.943 0.000 (0) O(0) 4.833e-12 O2 2.416e-12 2.416e-12 -11.617 -11.617 0.000 37.31 S(-2) 0.000e+00 @@ -4387,7 +4329,6 @@ H(0) 9.898e-25 Na 6.000e-07 Na+ 6.000e-07 5.981e-07 -6.222 -6.223 -0.001 -9.97 NaSO4- 2.570e-11 2.562e-11 -10.590 -10.591 -0.001 -33.29 - NaOH 1.232e-22 1.232e-22 -21.909 -21.909 0.000 (0) O(0) 2.939e-10 O2 1.469e-10 1.469e-10 -9.833 -9.833 0.000 38.19 S(-2) 0.000e+00 @@ -4460,7 +4401,6 @@ H(0) 1.547e-24 Na 6.000e-07 Na+ 6.000e-07 5.980e-07 -6.222 -6.223 -0.001 -12.33 NaSO4- 3.767e-11 3.754e-11 -10.424 -10.425 -0.001 -37.04 - NaOH 1.306e-22 1.306e-22 -21.884 -21.884 0.000 (0) O(0) 5.288e-09 O2 2.644e-09 2.644e-09 -8.578 -8.578 0.000 39.26 S(-2) 0.000e+00 @@ -4533,7 +4473,6 @@ H(0) 1.086e-23 Na 6.000e-07 Na+ 5.999e-07 5.979e-07 -6.222 -6.223 -0.002 -14.92 NaSO4- 5.691e-11 5.671e-11 -10.245 -10.246 -0.002 -41.81 - NaOH 1.358e-22 1.358e-22 -21.867 -21.867 0.000 (0) O(0) 3.877e-09 O2 1.939e-09 1.939e-09 -8.713 -8.713 0.000 40.56 S(-2) 0.000e+00 @@ -4606,7 +4545,6 @@ H(0) 7.643e-23 Na 6.000e-07 Na+ 5.999e-07 5.977e-07 -6.222 -6.224 -0.002 -17.75 NaSO4- 8.835e-11 8.803e-11 -10.054 -10.055 -0.002 -47.94 - NaOH 1.385e-22 1.385e-22 -21.859 -21.859 0.000 (0) O(0) 2.362e-09 O2 1.181e-09 1.181e-09 -8.928 -8.928 0.000 42.18 S(-2) 0.000e+00 @@ -4679,7 +4617,6 @@ H(0) 3.267e-22 Na 6.000e-07 Na+ 5.999e-07 5.975e-07 -6.222 -6.224 -0.002 -20.82 NaSO4- 1.405e-10 1.399e-10 -9.852 -9.854 -0.002 -55.89 - NaOH 1.385e-22 1.385e-22 -21.858 -21.858 0.000 (0) O(0) 3.292e-09 O2 1.646e-09 1.646e-09 -8.784 -8.784 0.000 44.24 S(-2) 0.000e+00 @@ -4752,7 +4689,6 @@ H(0) 1.398e-21 Na 6.000e-07 Na+ 5.998e-07 5.973e-07 -6.222 -6.224 -0.002 -24.13 NaSO4- 2.279e-10 2.270e-10 -9.642 -9.644 -0.002 -66.33 - NaOH 1.358e-22 1.358e-22 -21.867 -21.867 0.000 (0) O(0) 3.911e-09 O2 1.955e-09 1.955e-09 -8.709 -8.709 0.000 46.90 S(-2) 0.000e+00 diff --git a/mytest/mV_SO4_rho_101.sel b/mytest/mV_SO4_rho_101.sel index d00336a1c..c4dcbc191 100644 --- a/mytest/mV_SO4_rho_101.sel +++ b/mytest/mV_SO4_rho_101.sel @@ -1,65 +1,65 @@ Mu SC - 0.000000999501 0.1268095158 + 0.000000999501 0.1268095157 0.000000932767 0.0484293893 - 0.000000959374 0.0806202534 - 0.000000999501 0.1268095158 - 0.000001056431 0.1917828667 - 0.000001133024 0.2807319441 - 0.000001231362 0.3985169546 - 0.000001352432 0.5488010234 - 0.000001495892 0.7332014523 - 0.000001659936 0.9506262301 - 0.000001841459 1.1971364047 - 0.000002035724 1.4655758771 - 0.000002236882 1.7462965558 - 0.000002438170 2.0277867279 - 0.000002632276 2.2975832640 - 0.000002811758 2.5432745860 - 0.000002969483 2.7534921325 - 0.000003099085 2.9187543738 - 0.000003195428 3.0322911433 - 0.000003255084 3.0904364148 - 0.000003276864 3.0930910800 - 0.000003262443 3.0439503584 + 0.000000959374 0.0806202533 + 0.000000999501 0.1268095157 + 0.000001056431 0.1917828664 + 0.000001133024 0.2807319431 + 0.000001231362 0.3985169516 + 0.000001352432 0.5488010154 + 0.000001495892 0.7332014335 + 0.000001659936 0.9506261916 + 0.000001841459 1.1971363348 + 0.000002035724 1.4655757640 + 0.000002236882 1.7462963945 + 0.000002438170 2.0277865344 + 0.000002632276 2.2975831137 + 0.000002811758 2.5432747700 + 0.000002969483 2.7534951438 + 0.000003099085 2.9187499673 + 0.000003195428 3.0322887298 + 0.000003255084 3.0904344554 + 0.000003276864 3.0930893552 + 0.000003262443 3.0439488124 0.000000937600 0.0531377501 0.000000967806 0.0876420667 - 0.000001013249 0.1375984858 - 0.000001077617 0.2084347518 - 0.000001164156 0.3060020090 - 0.000001275285 0.4357815066 - 0.000001412269 0.6019593439 - 0.000001574975 0.8065360876 - 0.000001761728 1.0486506339 - 0.000001969281 1.3242477346 - 0.000002192906 1.6261357619 - 0.000002426585 1.9444094675 - 0.000002663312 2.2671659670 - 0.000002895465 2.5814197276 - 0.000003115241 2.8741142326 - 0.000003315120 3.1331312823 - 0.000003488343 3.3482126135 - 0.000003629390 3.5116725432 - 0.000003734460 3.6191160067 - 0.000003801959 3.6695922137 - 0.000003833035 3.6659721748 + 0.000001013249 0.1375984857 + 0.000001077617 0.2084347514 + 0.000001164156 0.3060020076 + 0.000001275285 0.4357815024 + 0.000001412269 0.6019593328 + 0.000001574975 0.8065360624 + 0.000001761728 1.0486505838 + 0.000001969281 1.3242476458 + 0.000002192906 1.6261356210 + 0.000002426585 1.9444092684 + 0.000002663312 2.2671657241 + 0.000002895465 2.5814195037 + 0.000003115241 2.8741142089 + 0.000003315120 3.1331320377 + 0.000003488343 3.3482178820 + 0.000003629390 3.5116622230 + 0.000003734460 3.6191115541 + 0.000003801959 3.6695888514 + 0.000003833035 3.6659693173 0.000000932767 0.0489273966 0.000000959374 0.0809893539 0.000000999501 0.1268094180 - 0.000001056431 0.1911015838 - 0.000001133024 0.2789771221 - 0.000001231362 0.3952172885 - 0.000001352432 0.5434240222 - 0.000001495892 0.7251864482 - 0.000001659936 0.9394255089 - 0.000001841459 1.1822550599 - 0.000002035725 1.4466064958 - 0.000002236884 1.7229441416 - 0.000002438178 1.9998871446 - 0.000002632301 2.2651189453 - 0.000002811822 2.5063924452 - 0.000002969635 2.7125261414 - 0.000003099424 2.8742788326 - 0.000003196123 2.9851179946 - 0.000003256385 3.0416772210 - 0.000003279054 3.0441089236 - 0.000003265647 2.9962058230 + 0.000001056431 0.1911015839 + 0.000001133024 0.2789771220 + 0.000001231362 0.3952172873 + 0.000001352432 0.5434240175 + 0.000001495892 0.7251864358 + 0.000001659936 0.9394254822 + 0.000001841459 1.1822550114 + 0.000002035725 1.4466064209 + 0.000002236884 1.7229440475 + 0.000002438178 1.9998870702 + 0.000002632301 2.2651190165 + 0.000002811822 2.5063931065 + 0.000002969635 2.7125311290 + 0.000003099424 2.8742727912 + 0.000003196123 2.9851149113 + 0.000003256385 3.0416748202 + 0.000003279054 3.0441068678 + 0.000003265647 2.9962040164 diff --git a/mytest/mean_gammas.out b/mytest/mean_gammas.out index 54a4f3179..358789a41 100644 --- a/mytest/mean_gammas.out +++ b/mytest/mean_gammas.out @@ -143,7 +143,6 @@ H(0) 1.415e-25 Na 1.000e-03 Na+ 9.944e-04 9.307e-04 -3.002 -3.031 -0.029 -1.43 NaSO4- 5.583e-06 5.230e-06 -5.253 -5.281 -0.028 -17.95 - NaOH 9.411e-21 9.420e-21 -20.026 -20.026 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 5.000e-04 diff --git a/mytest/mean_gammas_101.sel b/mytest/mean_gammas_101.sel index 5745feba9..00aec3fcf 100644 --- a/mytest/mean_gammas_101.sel +++ b/mytest/mean_gammas_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.003808608640 296.0578103390 + 0.003808608640 296.0578097632 diff --git a/mytest/mgcl2mgso4_pz_101.sel b/mytest/mgcl2mgso4_pz_101.sel index 7196f718f..54cb278c7 100644 --- a/mytest/mgcl2mgso4_pz_101.sel +++ b/mytest/mgcl2mgso4_pz_101.sel @@ -1,55 +1,55 @@ Mu SC - 0.000000100645 0.0546913894 - 7.196765837913 321036.2168700192 - 0.000000100645 0.0546913894 - 10.391177878083 223883.7334290551 - 0.000000100645 0.0546913894 - 13.532107976085 138337.2049026871 - 0.000000100645 0.0546913894 - 15.652183734817 96005.4052351355 - 0.000000100645 0.0546913894 - 15.652183735015 96005.4052330403 - 0.000000100645 0.0546913894 - 15.652183638299 96005.4065636722 - 0.000000100645 0.0546913894 - 8.301419742058 268695.9792715049 - 0.000000100645 0.0546913894 - 11.487145253665 177284.9297333856 - 0.000000100645 0.0546913894 - 14.049392336195 116080.9508672604 - 0.000000100645 0.0546913894 - 13.803151016802 119113.8796068391 - 0.000000100645 0.0546913894 - 13.538358727537 121952.0168796284 - 0.000000100645 0.0546913894 - 13.468093728958 120885.7151337296 - 0.000000100645 0.0546913894 - 9.540442538388 221170.2301665879 - 0.000000100645 0.0546913894 - 12.788837541763 136390.2492139715 - 0.000000100645 0.0546913894 - 13.459682818750 121102.3928515390 - 0.000000100645 0.0546913894 - 13.760484198476 115533.2811856184 - 0.000000100645 0.0546913894 - 11.069146143196 176963.4386105652 - 0.000000100645 0.0546913894 - 13.973255530993 112336.3771065354 - 0.000000100645 0.0546913894 - 13.048446718504 138160.5147286420 - 0.000000100645 0.0546913894 - 14.364092987709 111568.8228515128 - 0.000000100645 0.0546913894 - 14.364093171636 111568.8211065763 - 0.000000100645 0.0546913894 - 14.364093130030 111568.8215038548 - 0.000000100645 0.0546913894 - 14.364093048635 111568.8222660219 - 0.000000100645 0.0546913894 - 13.351855013341 133452.7197385286 - 0.000000100645 0.0546913894 - 14.364093050648 111568.8222737966 - 0.000000100645 0.0546913894 - 14.364093206516 111568.8207852061 - 0.000000100645 0.0546913894 - 14.364093204135 111568.8208734194 + 0.000000100645 0.0546913895 + 7.196765837913 321036.2160370458 + 0.000000100645 0.0546913895 + 10.391177878083 223883.7333239235 + 0.000000100645 0.0546913895 + 13.532107976085 138337.2048442191 + 0.000000100645 0.0546913895 + 15.652183734817 96005.4052009787 + 0.000000100645 0.0546913895 + 15.652183735015 96005.4051988828 + 0.000000100645 0.0546913895 + 15.652183638299 96005.4065295137 + 0.000000100645 0.0546913895 + 8.301419742058 268695.9792320777 + 0.000000100645 0.0546913895 + 11.487145253665 177284.9296723257 + 0.000000100645 0.0546913895 + 14.049392336195 116080.9508297245 + 0.000000100645 0.0546913895 + 13.803151016802 119113.8795702893 + 0.000000100645 0.0546913895 + 13.538358727537 121952.0168460136 + 0.000000100645 0.0546913895 + 13.468093728958 120885.7151081903 + 0.000000100645 0.0546913895 + 9.540442538388 221170.2301373552 + 0.000000100645 0.0546913895 + 12.788837541763 136390.2491801664 + 0.000000100645 0.0546913895 + 13.459682818750 121102.3928255706 + 0.000000100645 0.0546913895 + 13.760484198476 115533.2811670397 + 0.000000100645 0.0546913895 + 11.069146143196 176963.4385927565 + 0.000000100645 0.0546913895 + 13.973255530993 112336.3770907620 + 0.000000100645 0.0546913895 + 13.048446718504 138160.5147211540 + 0.000000100645 0.0546913895 + 14.364092987709 111568.8228433050 + 0.000000100645 0.0546913895 + 14.364093171636 111568.8210983685 + 0.000000100645 0.0546913895 + 14.364093130030 111568.8214956469 + 0.000000100645 0.0546913895 + 14.364093048635 111568.8222578140 + 0.000000100645 0.0546913895 + 13.351855013341 133452.7197320570 + 0.000000100645 0.0546913895 + 14.364093050648 111568.8222655886 + 0.000000100645 0.0546913895 + 14.364093206516 111568.8207769980 + 0.000000100645 0.0546913895 + 14.364093204135 111568.8208652112 diff --git a/mytest/millero.out b/mytest/millero.out index 44bd791b3..e6d725a34 100644 --- a/mytest/millero.out +++ b/mytest/millero.out @@ -165,7 +165,6 @@ Na 4.861e-01 NaSO4- 1.399e-02 9.489e-03 -1.854 -2.023 -0.168 8.22 NaHCO3 2.275e-04 3.098e-04 -3.643 -3.509 0.134 31.73 NaF 3.625e-06 4.231e-06 -5.441 -5.374 0.067 7.26 - NaOH 3.625e-17 4.231e-17 -16.441 -16.374 0.067 (0) O(0) 3.443e-38 O2 1.722e-38 2.009e-38 -37.764 -37.697 0.067 30.40 S(6) 2.926e-02 @@ -258,7 +257,7 @@ Initial solution 2. Lake Baikal (Millero, 2000) Specific Conductance (µS/cm, 25°C) = 124 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89104 + Viscosity (mPa s) = 0.89135 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.792e-03 Mass of water (kg) = 1.000e+00 @@ -317,7 +316,6 @@ Na 1.550e-04 Na+ 1.548e-04 1.477e-04 -3.810 -3.831 -0.020 -1.46 NaHCO3 1.336e-07 1.337e-07 -6.874 -6.874 0.000 31.73 NaSO4- 1.118e-07 1.067e-07 -6.952 -6.972 -0.020 -19.75 - NaOH 1.494e-21 1.495e-21 -20.826 -20.825 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 5.740e-05 @@ -400,7 +398,7 @@ Initial solution 3. Lake Malawi (Millero, 2000) Specific Conductance (µS/cm, 25°C) = 253 Density (g/cm³) = 0.99721 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89166 + Viscosity (mPa s) = 0.89227 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.373e-03 Mass of water (kg) = 1.000e+00 @@ -459,7 +457,6 @@ Na 8.752e-04 Na+ 8.728e-04 8.198e-04 -3.059 -3.086 -0.027 -1.44 NaHCO3 1.545e-06 1.547e-06 -5.811 -5.810 0.001 31.73 NaSO4- 7.735e-07 7.272e-07 -6.112 -6.138 -0.027 -18.26 - NaOH 8.291e-21 8.297e-21 -20.081 -20.081 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 7.751e-05 @@ -542,7 +539,7 @@ Initial solution 4. Lake Tanganyika (Millero, 2000) Specific Conductance (µS/cm, 25°C) = 670 Density (g/cm³) = 0.99749 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89385 + Viscosity (mPa s) = 0.89548 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.070e-03 Mass of water (kg) = 1.000e+00 @@ -601,7 +598,6 @@ Na 2.721e-03 Na+ 2.708e-03 2.456e-03 -2.567 -2.610 -0.042 -1.39 NaHCO3 1.241e-05 1.246e-05 -4.906 -4.905 0.002 31.73 NaSO4- 1.435e-06 1.304e-06 -5.843 -5.885 -0.041 -15.44 - NaOH 2.480e-20 2.485e-20 -19.606 -19.605 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 S(6) 6.003e-05 @@ -686,7 +682,7 @@ Initial solution 5. Artificial river water (Millero et al., 1976) Specific Conductance (µS/cm, 25°C) = 153 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89123 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.040e-03 Mass of water (kg) = 1.000e+00 @@ -747,7 +743,6 @@ Na 2.741e-04 Na+ 2.735e-04 2.602e-04 -3.563 -3.585 -0.022 -1.46 NaSO4- 3.951e-07 3.762e-07 -6.403 -6.425 -0.021 -19.47 NaHCO3 2.029e-07 2.031e-07 -6.693 -6.692 0.000 31.73 - NaOH 1.048e-20 1.049e-20 -19.980 -19.979 0.000 (0) O(0) 4.176e-40 O2 2.088e-40 2.089e-40 -39.680 -39.680 0.000 30.40 S(6) 1.166e-04 diff --git a/mytest/millero_101.sel b/mytest/millero_101.sel index 8017f7431..6d90bcbdc 100644 --- a/mytest/millero_101.sel +++ b/mytest/millero_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.670775831990 52917.1700444820 - 0.001791931197 124.6606919513 - 0.003373040073 253.5367806886 - 0.009069633334 670.7778323275 - 0.002039838350 153.3174847555 + 0.670775831990 52917.0877476508 + 0.001791931197 124.6370269679 + 0.003373040073 253.4473971667 + 0.009069633334 670.1586428321 + 0.002039838350 153.3122601501 diff --git a/mytest/missing_surf_related_equi_101.sel b/mytest/missing_surf_related_equi_101.sel index 1e8991d5c..14704feb5 100644 --- a/mytest/missing_surf_related_equi_101.sel +++ b/mytest/missing_surf_related_equi_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000000100661 0.0546997340 0.000000100645 0.0546914008 - 0.000000100645 0.0546913985 + 0.000000100645 0.0546913986 diff --git a/mytest/mixes.out b/mytest/mixes.out index 790e63936..b2c8ba35f 100644 --- a/mytest/mixes.out +++ b/mytest/mixes.out @@ -82,7 +82,6 @@ H(0) 1.415e-25 Na 1.000e-03 Na+ 9.933e-04 9.517e-04 -3.003 -3.022 -0.019 -1.47 NaSO4- 6.723e-06 6.444e-06 -5.172 -5.191 -0.018 -20.15 - NaOH 9.629e-21 9.632e-21 -20.016 -20.016 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 S(6) 5.000e-04 @@ -119,7 +118,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 115 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89033 + Viscosity (mPa s) = 0.89032 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.291e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/mixes_101.sel b/mytest/mixes_101.sel index 2aba4419c..d7117382f 100644 --- a/mytest/mixes_101.sel +++ b/mytest/mixes_101.sel @@ -1,7 +1,7 @@ Mu SC - 0.001486655780 123.9793425095 - 0.001290977107 115.4045250855 - 0.001486655780 123.9793425095 - 0.001290977108 115.4045250855 - 0.001486655780 123.9793425095 - 0.001290977108 115.4045250855 + 0.001486655780 123.9793424096 + 0.001290977107 115.4045446481 + 0.001486655780 123.9793424096 + 0.001290977108 115.4045446480 + 0.001486655780 123.9793424096 + 0.001290977108 115.4045446480 diff --git a/mytest/mmb.out b/mytest/mmb.out index 3b7afb674..7a1e6389a 100644 --- a/mytest/mmb.out +++ b/mytest/mmb.out @@ -109,7 +109,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.651e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.766e-21 9.768e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -196,7 +195,6 @@ H(0) 1.262e-25 H2 6.310e-26 7.079e-26 -25.200 -25.150 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 3.181e-18 3.570e-18 -17.497 -17.447 0.050 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.145 -42.095 0.050 30.40 @@ -241,7 +239,7 @@ Su Cl 2.6330e-09 H 2.8798e-08 Na 1.0000e-01 - O 1.3182e-18 + O 9.6906e-20 Su 1.000e-01 moles @@ -276,7 +274,7 @@ sys_Ca = 0 a_Ca = 1.0000e-99 a_Na = 3.5876e-01 Diffuse Double Layer Surface-Complexation Model Su - 3.365e-10 Surface + diffuse layer charge, eq + 2.616e-10 Surface + diffuse layer charge, eq -1.000e-01 Surface charge, eq -9.649e-03 sigma, C/m² -5.963e-03 psi, V @@ -296,7 +294,7 @@ Su Cl 2.6330e-09 H 2.8798e-08 Na 1.0000e-01 - O 2.4625e-14 + O 9.6906e-20 Su 1.000e-01 moles @@ -315,7 +313,7 @@ Su ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance - pe = 11.163 Adjusted to redox equilibrium + pe = -1.394 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 46282 Density (g/cm³) = 1.01702 Volume (L) = 0.62348 @@ -327,7 +325,7 @@ Su Temperature (°C) = 25.00 Electrical balance (eq) = 8.781e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (9 overall) + Iterations = 0 (11 overall) Total H = 6.839365e+01 Total O = 3.419683e+01 @@ -342,22 +340,21 @@ Su Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 6.858e-09 1.119e-08 -8.164 -7.951 0.213 (0) -H(0) 5.964e-40 - H2 2.982e-40 3.346e-40 -39.525 -39.475 0.050 28.61 +H(0) 7.753e-15 + H2 3.876e-15 4.349e-15 -14.412 -14.362 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 3.181e-18 3.570e-18 -17.497 -17.447 0.050 (0) -O(0) 6.414e-14 - O2 3.207e-14 3.598e-14 -13.494 -13.444 0.050 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.722 -63.672 0.050 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.37 -39.48 -3.10 H2 + H2(g) -11.26 -14.36 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.50 -0.93 1.57 NaCl - O2(g) -10.55 -13.44 -2.89 O2 + O2(g) -60.78 -63.67 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -377,7 +374,7 @@ WARNING: No porosities were read; used the value 3.00e-01 from -multi_D. ----------------------------------User print----------------------------------- solution = 1 -EB = 6.8499e-09 total water 1 7.0000e+00 Na = 5.0000e-01 Cl = 5.0000e-01 +EB = 8.7812e-09 total water 1 7.0000e+00 Na = 5.0000e-01 Cl = 5.0000e-01 sys_Ca = 0 a_Ca = 1.0000e-99 a_Na = 3.5876e-01 WARNING: @@ -387,48 +384,48 @@ Calculating transport: 1 (mobile) cells, 8 shifts, 2520 mixruns... ----------------------------------User print----------------------------------- solution = 1 -EB = 1.5336e-07 total water 1.0000e+00 7.0003e+00 Na = 1.0948e-03 Cl = 1.0957e-03 -sys_Ca = 8.6038e-03 a_Ca = 4.9861e-07 a_Na = 1.0550e-03 +EB = 1.3000e-07 total water 1.0000e+00 7.0003e+00 Na = 1.0948e-03 Cl = 1.0957e-03 +sys_Ca = 8.6039e-03 a_Ca = 4.9860e-07 a_Na = 1.0550e-03 ----------------------------------User print----------------------------------- solution = 1 -EB = 4.9699e-07 total water 1.0000e+00 7.0005e+00 Na = 1.0031e-03 Cl = 1.0043e-03 -sys_Ca = 1.3521e-02 a_Ca = 8.5212e-07 a_Na = 9.6810e-04 +EB = 4.7364e-07 total water 1.0000e+00 7.0005e+00 Na = 1.0031e-03 Cl = 1.0043e-03 +sys_Ca = 1.3521e-02 a_Ca = 8.5209e-07 a_Na = 9.6808e-04 ----------------------------------User print----------------------------------- solution = 1 -EB = 4.8591e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0005e-03 Cl = 1.0017e-03 -sys_Ca = 1.3708e-02 a_Ca = 8.6847e-07 a_Na = 9.6561e-04 +EB = 4.6256e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0005e-03 Cl = 1.0017e-03 +sys_Ca = 1.3708e-02 a_Ca = 8.6844e-07 a_Na = 9.6559e-04 ----------------------------------User print----------------------------------- solution = 1 -EB = 4.6262e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0004e-03 Cl = 1.0016e-03 -sys_Ca = 1.3715e-02 a_Ca = 8.6907e-07 a_Na = 9.6550e-04 +EB = 4.3927e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0004e-03 Cl = 1.0016e-03 +sys_Ca = 1.3715e-02 a_Ca = 8.6904e-07 a_Na = 9.6548e-04 ----------------------------------User print----------------------------------- solution = 1 -EB = 4.3884e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0004e-03 Cl = 1.0016e-03 -sys_Ca = 1.3716e-02 a_Ca = 8.6907e-07 a_Na = 9.6547e-04 +EB = 4.1549e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0003e-03 Cl = 1.0017e-03 +sys_Ca = 1.3716e-02 a_Ca = 8.6903e-07 a_Na = 9.6546e-04 ----------------------------------User print----------------------------------- solution = 1 -EB = 4.1504e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0003e-03 Cl = 1.0017e-03 -sys_Ca = 1.3716e-02 a_Ca = 8.6903e-07 a_Na = 9.6545e-04 +EB = 3.9170e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0003e-03 Cl = 1.0017e-03 +sys_Ca = 1.3716e-02 a_Ca = 8.6900e-07 a_Na = 9.6544e-04 ----------------------------------User print----------------------------------- solution = 1 -EB = 3.9124e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0003e-03 Cl = 1.0017e-03 -sys_Ca = 1.3716e-02 a_Ca = 8.6900e-07 a_Na = 9.6544e-04 +EB = 3.6791e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0003e-03 Cl = 1.0017e-03 +sys_Ca = 1.3716e-02 a_Ca = 8.6897e-07 a_Na = 9.6542e-04 ----------------------------------User print----------------------------------- solution = 1 -EB = 3.6745e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0003e-03 Cl = 1.0017e-03 -sys_Ca = 1.3716e-02 a_Ca = 8.6897e-07 a_Na = 9.6542e-04 +EB = 3.4412e-07 total water 1.0000e+00 7.0001e+00 Na = 1.0003e-03 Cl = 1.0017e-03 +sys_Ca = 1.3716e-02 a_Ca = 8.6893e-07 a_Na = 9.6540e-04 diff --git a/mytest/mmb2_pitzer.out b/mytest/mmb2_pitzer.out index 1bb763eed..ba2080bb8 100644 --- a/mytest/mmb2_pitzer.out +++ b/mytest/mmb2_pitzer.out @@ -73,15 +73,15 @@ Calculating transport: 1 (mobile) cells, 1 shifts, 2520 mixruns... ----------------------------------User print----------------------------------- edl_H2O 9.8975e-01 total water 9.9974e-01 6.7203e+00 Na = 2.0557e-03 Cl = 2.0569e-03 -EB = -6.5593e-12 sys_Ca = 1.2893e-03 sol = 1 a_Na = 1.9560e-03 +EB = -6.5552e-12 sys_Ca = 1.2893e-03 sol = 1 a_Na = 1.9560e-03 ----------------------------------User print----------------------------------- edl_H2O 0 total water 9.9974e-03 6.7203e+00 Na = 2.0557e-03 Cl = 2.0569e-03 -EB = -6.5593e-12 sys_Ca = 5.6762e-09 sol = 1 a_Na = 1.9560e-03 +EB = -6.5552e-12 sys_Ca = 5.6762e-09 sol = 1 a_Na = 1.9560e-03 ----------------------------------User print----------------------------------- edl_H2O 0 total water 9.9974e-03 6.7203e+00 Na = 2.0557e-03 Cl = 2.0569e-03 -EB = -6.5593e-12 sys_Ca = 5.6762e-09 sol = 1 a_Na = 1.9560e-03 +EB = -6.5552e-12 sys_Ca = 5.6762e-09 sol = 1 a_Na = 1.9560e-03 diff --git a/mytest/mmb2_pitzer_101.sel b/mytest/mmb2_pitzer_101.sel index 1b79957ce..f92563552 100644 --- a/mytest/mmb2_pitzer_101.sel +++ b/mytest/mmb2_pitzer_101.sel @@ -1,11 +1,11 @@ Mu SC - 0.001003103575 123.1921080945 - 0.500000121138 46282.9079252109 - 0.500000121135 17965.8360364251 - 0.500000121135 17965.8360364251 - 0.001003103576 123.1921080933 - 0.500000121135 17965.8360364251 - 0.001003103576 123.1921080933 - 0.002057562535 0.0250604092 - 0.002057562535 250.5444565851 - 0.002057562535 250.5444565851 + 0.001003103575 123.1921080792 + 0.500000121138 46282.9076448054 + 0.500000121135 17965.8359275788 + 0.500000121135 17965.8359275788 + 0.001003103576 123.1921080780 + 0.500000121135 17965.8359275788 + 0.001003103576 123.1921080780 + 0.002057562546 0.0250604094 + 0.002057562546 250.5444578988 + 0.002057562546 250.5444578988 diff --git a/mytest/mmb_101.sel b/mytest/mmb_101.sel index 23a20592d..4a0242b79 100644 --- a/mytest/mmb_101.sel +++ b/mytest/mmb_101.sel @@ -1,23 +1,23 @@ Mu SC - 0.001003103457 123.1921150408 - 0.500000130826 46282.9124355506 - 0.500000130835 46282.9124354964 - 0.500000137971 46282.9128480102 - 0.001003103457 123.1921150407 - 0.500000136404 46282.9127574167 - 0.001003103457 123.1921150409 - 0.001096498994 134.5722238889 - 0.001003103457 123.1921150409 - 0.001005761825 123.5064118394 - 0.001003103457 123.1921150409 - 0.001003206652 123.1943788001 - 0.001003103457 123.1921150409 - 0.001003107192 123.1827189342 - 0.001003103457 123.1921150409 - 0.001003103260 123.1827444312 - 0.001003103457 123.1921150409 - 0.001003103044 123.1832244832 - 0.001003103457 123.1921150409 - 0.001003102973 123.1837221732 - 0.001003103457 123.1921150409 - 0.001003102908 123.1842205143 + 0.001003103457 123.1921150124 + 0.500000130826 46282.9121605452 + 0.500000130835 46282.9121604910 + 0.500000137971 46282.9125730048 + 0.001003103457 123.1921150123 + 0.500000137971 46282.9125730048 + 0.001003103457 123.1921150125 + 0.001096497545 134.5725428063 + 0.001003103457 123.1921150125 + 0.001005761611 123.5068824684 + 0.001003103457 123.1921150125 + 0.001003206610 123.1948704925 + 0.001003103457 123.1921150125 + 0.001003107127 123.1832077487 + 0.001003103457 123.1921150125 + 0.001003103196 123.1832332894 + 0.001003103457 123.1921150125 + 0.001003102980 123.1837133106 + 0.001003103457 123.1921150125 + 0.001003102910 123.1842109659 + 0.001003103457 123.1921150125 + 0.001003102845 123.1847092719 diff --git a/mytest/modify_test.out b/mytest/modify_test.out index 33809fde5..19c7defc1 100644 --- a/mytest/modify_test.out +++ b/mytest/modify_test.out @@ -85,7 +85,6 @@ N(0) 1.000e-03 N2 5.000e-04 5.001e-04 -3.301 -3.301 0.000 29.29 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.766e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/modify_test_101.sel b/mytest/modify_test_101.sel index 621f1dcf8..be453b31c 100644 --- a/mytest/modify_test_101.sel +++ b/mytest/modify_test_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.001000104163 122.9135194198 + 0.001000104163 122.9135193916 diff --git a/mytest/modify_zero.out b/mytest/modify_zero.out index 7a997c968..381e8f8af 100644 --- a/mytest/modify_zero.out +++ b/mytest/modify_zero.out @@ -63,7 +63,7 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.376e-19 + Total alkalinity (eq/kg) = -2.282e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -2.619e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -86,7 +86,6 @@ H(0) 1.446e-25 H2 7.232e-26 7.249e-26 -25.141 -25.140 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.033e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.012e-20 9.033e-20 -19.045 -19.044 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.102 -42.101 0.001 30.40 @@ -132,7 +131,7 @@ X 2.000e+00 mol ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = 10.921 Adjusted to redox equilibrium + pe = 10.926 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1209 Density (g/cm³) = 0.99750 Volume (L) = 1.00306 @@ -140,7 +139,7 @@ X 2.000e+00 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.461e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.269e-16 + Total alkalinity (eq/kg) = -1.812e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -2.618e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -162,22 +161,21 @@ Ca 4.606e-03 Cl 1.000e-02 Cl- 1.000e-02 8.838e-03 -2.000 -2.054 -0.054 18.16 HCl 3.116e-10 3.161e-10 -9.506 -9.500 0.006 (0) -H(0) 2.187e-39 - H2 1.094e-39 1.097e-39 -38.961 -38.960 0.001 28.61 +H(0) 2.141e-39 + H2 1.071e-39 1.074e-39 -38.970 -38.969 0.001 28.61 Na 7.871e-04 Na+ 7.871e-04 6.986e-04 -3.104 -3.156 -0.052 -1.35 - NaOH 6.785e-21 6.808e-21 -20.168 -20.167 0.001 (0) -O(0) 6.897e-15 - O2 3.448e-15 3.460e-15 -14.462 -14.461 0.001 30.40 +O(0) 7.198e-15 + O2 3.599e-15 3.611e-15 -14.444 -14.442 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.86 -38.96 -3.10 H2 + H2(g) -35.87 -38.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.78 -5.21 1.57 NaCl - O2(g) -11.57 -14.46 -2.89 O2 + O2(g) -11.55 -14.44 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -216,7 +214,7 @@ X 2.000e+00 mol ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = 10.921 Adjusted to redox equilibrium + pe = 10.926 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1209 Density (g/cm³) = 0.99750 Volume (L) = 1.00306 @@ -224,7 +222,7 @@ X 2.000e+00 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.461e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.269e-16 + Total alkalinity (eq/kg) = -1.812e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -2.618e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -246,22 +244,21 @@ Ca 4.606e-03 Cl 1.000e-02 Cl- 1.000e-02 8.838e-03 -2.000 -2.054 -0.054 18.16 HCl 3.116e-10 3.161e-10 -9.506 -9.500 0.006 (0) -H(0) 2.187e-39 - H2 1.094e-39 1.097e-39 -38.961 -38.960 0.001 28.61 +H(0) 2.141e-39 + H2 1.071e-39 1.074e-39 -38.970 -38.969 0.001 28.61 Na 7.871e-04 Na+ 7.871e-04 6.986e-04 -3.104 -3.156 -0.052 -1.35 - NaOH 6.785e-21 6.808e-21 -20.168 -20.167 0.001 (0) -O(0) 6.897e-15 - O2 3.448e-15 3.460e-15 -14.462 -14.461 0.001 30.40 +O(0) 7.198e-15 + O2 3.599e-15 3.611e-15 -14.444 -14.442 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.86 -38.96 -3.10 H2 + H2(g) -35.87 -38.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.78 -5.21 1.57 NaCl - O2(g) -11.57 -14.46 -2.89 O2 + O2(g) -11.55 -14.44 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -344,7 +341,6 @@ H(0) 7.871e-04 H2 3.936e-04 3.937e-04 -3.405 -3.405 0.000 28.61 Na 2.085e-04 Na+ 2.085e-04 2.010e-04 -3.681 -3.697 -0.016 -1.48 - NaOH 1.518e-17 1.519e-17 -16.819 -16.819 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -85.570 -85.570 0.000 30.40 diff --git a/mytest/modify_zero_101.sel b/mytest/modify_zero_101.sel index a6b0a76f0..cd9914559 100644 --- a/mytest/modify_zero_101.sel +++ b/mytest/modify_zero_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.010000110789 1177.7202268524 - 0.014606537240 1209.2176967853 - 0.014606537240 1209.2176967853 - 0.001070096396 195.2031687260 + 0.010000110789 1177.7202259049 + 0.014606537240 1209.2176946675 + 0.014606537240 1209.2176946675 + 0.001070096396 195.2030477552 diff --git a/mytest/modifyact.dmp b/mytest/modifyact.dmp index 4503921ff..0763ad288 100644 --- a/mytest/modifyact.dmp +++ b/mytest/modifyact.dmp @@ -6,7 +6,7 @@ SOLUTION_RAW 1 -total_o 57.50621686377 -cb 3.2214398287822e-07 -density 1.0572796369654 - -viscosity 1.1008003876626 + -viscosity 1.1008004050125 -totals H(0) 1.1675035805641e-15 Na 1.0000000000081 @@ -18,7 +18,7 @@ SOLUTION_RAW 1 -ah2o 0.98012939078873 -mass_water 1 -soln_vol 1.0129976648531 - -total_alkalinity -3.2214067089787e-07 + -total_alkalinity -3.2214067090182e-07 -activities E 1 H(0) -15.149999933857 @@ -35,7 +35,7 @@ SOLUTION_RAW 2 -total_o 57.50621686377 -cb 3.2214398287822e-07 -density 1.0572796369654 - -viscosity 1.1008003876626 + -viscosity 1.1008004050125 -totals H(0) 1.1675035805641e-15 Na 2 @@ -46,7 +46,7 @@ SOLUTION_RAW 2 -ah2o 0.98012939078873 -mass_water 1 -soln_vol 1.0129976648531 - -total_alkalinity -3.2214067089787e-07 + -total_alkalinity -3.2214067090182e-07 -activities E 1 H(0) -15.149999933857 @@ -63,7 +63,7 @@ SOLUTION_RAW 3 -total_o 57.50621686377 -cb 3.2214398287822e-07 -density 1.0572796369654 - -viscosity 1.1008003876626 + -viscosity 1.1008004050125 -totals H(0) 1.1675035805641e-15 Na 2 @@ -74,7 +74,7 @@ SOLUTION_RAW 3 -ah2o 0.98012939078873 -mass_water 1 -soln_vol 1.0129976648531 - -total_alkalinity -3.2214067089787e-07 + -total_alkalinity -3.2214067090182e-07 -activities E 1 H(0) -15.149999933857 @@ -90,7 +90,7 @@ SOLUTION_RAW 4 -total_o 57.50621686377 -cb 3.2214398287822e-07 -density 1.0572796369654 - -viscosity 1.1008003876626 + -viscosity 1.1008004050125 -totals H(0) 1.1675035805641e-15 Na 2 @@ -101,7 +101,7 @@ SOLUTION_RAW 4 -ah2o 0.98012939078873 -mass_water 1 -soln_vol 1.0129976648531 - -total_alkalinity -3.2214067089787e-07 + -total_alkalinity -3.2214067090182e-07 -activities E 1 H(0) -15.149999933857 @@ -118,7 +118,7 @@ SOLUTION_RAW 5 -total_o 57.50621686377 -cb 3.2214398287822e-07 -density 1.0572796369654 - -viscosity 1.1008003876626 + -viscosity 1.1008004050125 -totals H(0) 1.1675035805641e-15 Na 2 @@ -129,7 +129,7 @@ SOLUTION_RAW 5 -ah2o 0.98012939078873 -mass_water 1 -soln_vol 1.0129976648531 - -total_alkalinity -3.2214067089787e-07 + -total_alkalinity -3.2214067090182e-07 -activities E 1 H(0) -15.149999933857 @@ -147,7 +147,7 @@ SOLUTION_RAW 6 -total_o 57.50621686377 -cb 3.2214398287822e-07 -density 1.0572796369654 - -viscosity 1.1008003876626 + -viscosity 1.1008004050125 -totals H(0) 1.1675035805641e-15 Na 2 @@ -158,7 +158,7 @@ SOLUTION_RAW 6 -ah2o 0.98012939078873 -mass_water 1 -soln_vol 1.0129976648531 - -total_alkalinity -3.2214067089787e-07 + -total_alkalinity -3.2214067090182e-07 -activities E 1 H(0) -15.149999933857 diff --git a/mytest/modifyact.out b/mytest/modifyact.out index 3a240cb95..05e0f64f1 100644 --- a/mytest/modifyact.out +++ b/mytest/modifyact.out @@ -81,7 +81,6 @@ H(0) 1.168e-15 Na 1.000e+00 Na+ 6.689e-01 4.835e-01 -0.175 -0.316 -0.141 -0.40 NaSO4- 3.311e-01 2.209e-01 -0.480 -0.656 -0.176 10.20 - NaOH 3.955e-18 4.796e-18 -17.403 -17.319 0.084 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.181 -62.097 0.084 30.40 S(-2) 3.272e-23 diff --git a/mytest/modifyact_101.sel b/mytest/modifyact_101.sel index d456f7200..26ab0f727 100644 --- a/mytest/modifyact_101.sel +++ b/mytest/modifyact_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.837717745056 58282.6337420657 + 0.837717745056 58282.6334406474 diff --git a/mytest/mu_101.sel b/mytest/mu_101.sel index 05ac13a57..47d7aba90 100644 --- a/mytest/mu_101.sel +++ b/mytest/mu_101.sel @@ -1,7 +1,7 @@ Mu SC - 1.370970505103 72413.4244042408 - 3.077100346054 134272.4271636884 - 0.347367538417 22066.8659632355 - 0.845779026251 27379.5868016989 - 2.356971592564 57149.7950780321 - 0.165661045718 7244.2481266880 + 1.370970505103 72413.4236104030 + 3.077100346054 134272.4254039640 + 0.347367538417 22066.8658192792 + 0.845779026251 27379.5837022526 + 2.356971592564 57149.7934666435 + 0.165661045718 7244.2478999713 diff --git a/mytest/multi_punch.out b/mytest/multi_punch.out index c9e028adb..e59d79cce 100644 --- a/mytest/multi_punch.out +++ b/mytest/multi_punch.out @@ -59,14 +59,14 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 313 Density (g/cm³) = 0.99721 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89199 + Viscosity (mPa s) = 0.89202 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.959e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.000e-03 Total CO2 (mol/kg) = 2.000e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.431e-16 + Electrical balance (eq) = -7.436e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110144e+02 @@ -103,7 +103,6 @@ H(0) 7.952e-28 Na 1.000e-03 Na+ 9.985e-04 9.334e-04 -3.001 -3.030 -0.029 -1.43 NaHCO3 1.468e-06 1.471e-06 -5.833 -5.832 0.001 31.73 - NaOH 1.259e-19 1.260e-19 -18.900 -18.900 0.000 (0) O(0) 5.259e-38 O2 2.629e-38 2.632e-38 -37.580 -37.580 0.000 30.40 @@ -335,7 +334,7 @@ Sulfate 1.99e+00 Specific Conductance (µS/cm, 25°C) = 2885 Density (g/cm³) = 0.99928 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.90213 + Viscosity (mPa s) = 0.90227 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.682e-02 Mass of water (kg) = 1.000e+00 @@ -363,8 +362,8 @@ Ba 6.983e-08 BaHCO3+ 5.649e-10 4.660e-10 -9.248 -9.332 -0.084 (0) BaCO3 2.431e-11 2.457e-11 -10.614 -10.610 0.005 -10.70 BaOH+ 1.313e-14 1.089e-14 -13.882 -13.963 -0.081 (0) -C(-4) 2.466e-34 - CH4 2.466e-34 2.493e-34 -33.608 -33.603 0.005 35.46 +C(-4) 2.490e-34 + CH4 2.490e-34 2.517e-34 -33.604 -33.599 0.005 35.46 C(4) 4.254e-03 HCO3- 3.790e-03 3.155e-03 -2.421 -2.501 -0.080 24.78 CO2 3.378e-04 3.402e-04 -3.471 -3.468 0.003 34.43 @@ -387,8 +386,8 @@ Ca 1.635e-02 Cl 1.100e-03 Cl- 1.100e-03 9.005e-04 -2.959 -3.046 -0.087 18.25 HCl 1.421e-11 1.487e-11 -10.847 -10.828 0.020 (0) -H(0) 3.272e-17 - H2 1.636e-17 1.654e-17 -16.786 -16.781 0.005 28.61 +H(0) 3.280e-17 + H2 1.640e-17 1.658e-17 -16.785 -16.780 0.005 28.61 Mg 5.137e-04 Mg+2 3.146e-04 1.548e-04 -3.502 -3.810 -0.308 -21.33 MgSO4 1.859e-04 1.899e-04 -3.731 -3.721 0.009 -7.91 @@ -396,28 +395,27 @@ Mg 5.137e-04 Mg(SO4)2-2 5.748e-06 2.931e-06 -5.240 -5.533 -0.293 15.46 MgCO3 4.510e-07 4.559e-07 -6.346 -6.341 0.005 -17.09 MgOH+ 1.394e-08 1.172e-08 -7.856 -7.931 -0.075 (0) -N(-3) 2.191e-14 - NH4+ 2.053e-14 1.655e-14 -13.688 -13.781 -0.094 18.07 - NH4SO4- 1.187e-15 9.898e-16 -14.925 -15.004 -0.079 1.32 - NH3 1.946e-16 1.967e-16 -15.711 -15.706 0.005 24.42 +N(-3) 2.199e-14 + NH4+ 2.060e-14 1.661e-14 -13.686 -13.780 -0.094 18.07 + NH4SO4- 1.192e-15 9.933e-16 -14.924 -15.003 -0.079 1.32 + NH3 1.953e-16 1.974e-16 -15.709 -15.705 0.005 24.42 N(0) 1.558e-03 N2 7.789e-04 7.874e-04 -3.108 -3.104 0.005 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -48.665 -48.756 -0.091 25.14 + NO2- 0.000e+00 0.000e+00 -48.667 -48.757 -0.091 25.14 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -63.604 -63.695 -0.091 29.67 + NO3- 0.000e+00 0.000e+00 -63.606 -63.697 -0.091 29.67 Na 1.000e-03 Na+ 9.276e-04 7.685e-04 -3.033 -3.114 -0.082 -1.22 NaSO4- 7.037e-05 5.862e-05 -4.153 -4.232 -0.079 -9.04 NaHCO3 2.066e-06 2.111e-06 -5.685 -5.675 0.009 31.73 - NaOH 1.604e-20 1.622e-20 -19.795 -19.790 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.822 -58.818 0.005 30.40 -S(-2) 4.915e-31 - HS- 3.672e-31 2.996e-31 -30.435 -30.523 -0.088 20.78 - H2S 1.242e-31 1.256e-31 -30.906 -30.901 0.005 36.27 - S-2 1.598e-36 7.549e-37 -35.796 -36.122 -0.326 (0) - (H2S)2 0.000e+00 0.000e+00 -63.085 -63.080 0.005 30.10 + O2 0.000e+00 0.000e+00 -58.824 -58.820 0.005 30.40 +S(-2) 4.962e-31 + HS- 3.708e-31 3.025e-31 -30.431 -30.519 -0.088 20.78 + H2S 1.254e-31 1.268e-31 -30.902 -30.897 0.005 36.27 + S-2 1.613e-36 7.622e-37 -35.792 -36.118 -0.326 (0) + (H2S)2 0.000e+00 0.000e+00 -63.077 -63.072 0.005 30.10 S(6) 1.484e-02 SO4-2 9.960e-03 4.685e-03 -2.002 -2.329 -0.328 21.51 CaSO4 4.609e-03 4.659e-03 -2.336 -2.332 0.005 7.50 @@ -427,7 +425,7 @@ S(6) 1.484e-02 BaSO4 3.580e-08 3.618e-08 -7.446 -7.441 0.005 (0) HSO4- 2.647e-08 2.183e-08 -7.577 -7.661 -0.084 40.45 CaHSO4+ 1.780e-09 1.468e-09 -8.750 -8.833 -0.084 (0) - NH4SO4- 1.187e-15 9.898e-16 -14.925 -15.004 -0.079 1.32 + NH4SO4- 1.192e-15 9.933e-16 -14.924 -15.003 -0.079 1.32 ------------------------------Saturation indices------------------------------- @@ -444,13 +442,13 @@ S(6) 1.484e-02 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -13.68 -16.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -29.91 -37.84 -7.94 H2S + H2S(g) -29.90 -37.84 -7.94 H2S Halite -7.73 -6.16 1.57 NaCl Hexahydrite -4.57 -6.14 -1.57 MgSO4:6H2O Kieserite -4.98 -6.14 -1.16 MgSO4:H2O Mirabilite -7.32 -8.56 -1.24 Na2SO4:10H2O N2(g) 0.07 -3.10 -3.18 N2 Pressure 1.2 atm, phi 0.999 - NH3(g) -17.50 -15.71 1.80 NH3 + NH3(g) -17.50 -15.70 1.80 NH3 O2(g) -55.93 -58.82 -2.89 O2 Sulfur -22.15 -17.27 4.88 S Thenardite -8.26 -8.56 -0.30 Na2SO4 @@ -560,11 +558,11 @@ Sulfate 1.99e+00 ----------------------------Description of solution---------------------------- pH = 7.316 Charge balance - pe = -0.542 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2892 + pe = -0.540 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 2891 Density (g/cm³) = 0.99929 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.90211 + Viscosity (mPa s) = 0.90226 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.690e-02 Mass of water (kg) = 1.000e+00 @@ -592,8 +590,8 @@ Ba 6.988e-08 BaHCO3+ 5.607e-10 4.625e-10 -9.251 -9.335 -0.084 (0) BaCO3 2.392e-11 2.418e-11 -10.621 -10.617 0.005 -10.70 BaOH+ 1.303e-14 1.080e-14 -13.885 -13.966 -0.081 (0) -C(-4) 5.345e-34 - CH4 5.345e-34 5.403e-34 -33.272 -33.267 0.005 35.46 +C(-4) 5.192e-34 + CH4 5.192e-34 5.248e-34 -33.285 -33.280 0.005 35.46 C(4) 4.221e-03 HCO3- 3.758e-03 3.128e-03 -2.425 -2.505 -0.080 24.78 CO2 3.378e-04 3.402e-04 -3.471 -3.468 0.003 34.43 @@ -616,8 +614,8 @@ Ca 1.637e-02 Cl 1.200e-03 Cl- 1.200e-03 9.822e-04 -2.921 -3.008 -0.087 18.25 HCl 1.563e-11 1.636e-11 -10.806 -10.786 0.020 (0) -H(0) 3.970e-17 - H2 1.985e-17 2.007e-17 -16.702 -16.698 0.005 28.61 +H(0) 3.942e-17 + H2 1.971e-17 1.992e-17 -16.705 -16.701 0.005 28.61 Mg 5.309e-04 Mg+2 3.254e-04 1.601e-04 -3.488 -3.796 -0.308 -21.33 MgSO4 1.920e-04 1.961e-04 -3.717 -3.707 0.009 -7.91 @@ -625,28 +623,27 @@ Mg 5.309e-04 Mg(SO4)2-2 5.932e-06 3.023e-06 -5.227 -5.519 -0.293 15.47 MgCO3 4.584e-07 4.633e-07 -6.339 -6.334 0.005 -17.09 MgOH+ 1.429e-08 1.201e-08 -7.845 -7.920 -0.076 (0) -N(-3) 2.954e-14 - NH4+ 2.768e-14 2.231e-14 -13.558 -13.652 -0.094 18.07 - NH4SO4- 1.599e-15 1.333e-15 -14.796 -14.875 -0.079 1.32 - NH3 2.600e-16 2.628e-16 -15.585 -15.580 0.005 24.42 +N(-3) 2.922e-14 + NH4+ 2.738e-14 2.206e-14 -13.563 -13.656 -0.094 18.07 + NH4SO4- 1.582e-15 1.318e-15 -14.801 -14.880 -0.079 1.32 + NH3 2.572e-16 2.600e-16 -15.590 -15.585 0.005 24.42 N(0) 1.558e-03 N2 7.789e-04 7.874e-04 -3.109 -3.104 0.005 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -48.795 -48.886 -0.091 25.14 + NO2- 0.000e+00 0.000e+00 -48.790 -48.881 -0.091 25.14 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -63.817 -63.908 -0.091 29.67 + NO3- 0.000e+00 0.000e+00 -63.810 -63.901 -0.091 29.67 Na 1.000e-03 Na+ 9.277e-04 7.685e-04 -3.033 -3.114 -0.082 -1.22 NaSO4- 7.030e-05 5.856e-05 -4.153 -4.232 -0.079 -9.03 NaHCO3 2.048e-06 2.093e-06 -5.689 -5.679 0.009 31.73 - NaOH 1.590e-20 1.608e-20 -19.798 -19.794 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -58.990 -58.986 0.005 30.40 -S(-2) 1.076e-30 - HS- 8.021e-31 6.543e-31 -30.096 -30.184 -0.088 20.78 - H2S 2.736e-31 2.766e-31 -30.563 -30.558 0.005 36.27 - S-2 3.461e-36 1.634e-36 -35.461 -35.787 -0.326 (0) - (H2S)2 0.000e+00 0.000e+00 -62.399 -62.394 0.005 30.10 + O2 0.000e+00 0.000e+00 -58.984 -58.979 0.005 30.40 +S(-2) 1.045e-30 + HS- 7.791e-31 6.355e-31 -30.108 -30.197 -0.088 20.78 + H2S 2.658e-31 2.687e-31 -30.575 -30.571 0.005 36.27 + S-2 3.362e-36 1.588e-36 -35.473 -35.799 -0.326 (0) + (H2S)2 0.000e+00 0.000e+00 -62.424 -62.420 0.005 30.10 S(6) 1.484e-02 SO4-2 9.954e-03 4.680e-03 -2.002 -2.330 -0.328 21.51 CaSO4 4.609e-03 4.659e-03 -2.336 -2.332 0.005 7.50 @@ -656,7 +653,7 @@ S(6) 1.484e-02 BaSO4 3.580e-08 3.618e-08 -7.446 -7.441 0.005 (0) HSO4- 2.667e-08 2.200e-08 -7.574 -7.658 -0.084 40.45 CaHSO4+ 1.796e-09 1.481e-09 -8.746 -8.829 -0.084 (0) - NH4SO4- 1.599e-15 1.333e-15 -14.796 -14.875 -0.079 1.32 + NH4SO4- 1.582e-15 1.318e-15 -14.801 -14.880 -0.079 1.32 ------------------------------Saturation indices------------------------------- @@ -666,22 +663,22 @@ S(6) 1.484e-02 Aragonite 0.57 -7.77 -8.34 CaCO3 Barite -0.30 -10.14 -9.84 BaSO4 Calcite 0.71 -7.77 -8.48 CaCO3 - CH4(g) -30.47 -33.27 -2.80 CH4 + CH4(g) -30.48 -33.28 -2.80 CH4 CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Dolomite -0.00 -17.08 -17.08 CaMg(CO3)2 Epsomite -4.39 -6.13 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -13.60 -16.70 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -29.56 -37.50 -7.94 H2S + H2S(g) -29.58 -37.51 -7.94 H2S Halite -7.69 -6.12 1.57 NaCl Hexahydrite -4.56 -6.13 -1.57 MgSO4:6H2O Kieserite -4.96 -6.13 -1.16 MgSO4:H2O Mirabilite -7.32 -8.56 -1.24 Na2SO4:10H2O N2(g) 0.07 -3.10 -3.18 N2 Pressure 1.2 atm, phi 0.999 - NH3(g) -17.38 -15.58 1.80 NH3 - O2(g) -56.09 -58.99 -2.89 O2 - Sulfur -21.89 -17.01 4.88 S + NH3(g) -17.38 -15.59 1.80 NH3 + O2(g) -56.09 -58.98 -2.89 O2 + Sulfur -21.90 -17.02 4.88 S Thenardite -8.26 -8.56 -0.30 Na2SO4 Witherite -4.77 -13.33 -8.56 BaCO3 @@ -786,11 +783,11 @@ Sulfate 1.99e+00 ----------------------------Description of solution---------------------------- pH = 7.312 Charge balance - pe = -0.634 Adjusted to redox equilibrium + pe = -0.633 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 2898 Density (g/cm³) = 0.99929 Volume (L) = 1.00314 - Viscosity (mPa s) = 0.90210 + Viscosity (mPa s) = 0.90224 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.698e-02 Mass of water (kg) = 1.000e+00 @@ -818,8 +815,8 @@ Ba 6.993e-08 BaHCO3+ 5.567e-10 4.591e-10 -9.254 -9.338 -0.084 (0) BaCO3 2.354e-11 2.380e-11 -10.628 -10.623 0.005 -10.70 BaOH+ 1.294e-14 1.072e-14 -13.888 -13.970 -0.082 (0) -C(-4) 3.110e-33 - CH4 3.110e-33 3.144e-33 -32.507 -32.503 0.005 35.46 +C(-4) 3.071e-33 + CH4 3.071e-33 3.104e-33 -32.513 -32.508 0.005 35.46 C(4) 4.189e-03 HCO3- 3.727e-03 3.101e-03 -2.429 -2.508 -0.080 24.78 CO2 3.378e-04 3.402e-04 -3.471 -3.468 0.003 34.43 @@ -842,8 +839,8 @@ Ca 1.638e-02 Cl 1.300e-03 Cl- 1.300e-03 1.064e-03 -2.886 -2.973 -0.087 18.25 HCl 1.707e-11 1.788e-11 -10.768 -10.748 0.020 (0) -H(0) 6.166e-17 - H2 3.083e-17 3.117e-17 -16.511 -16.506 0.005 28.61 +H(0) 6.147e-17 + H2 3.073e-17 3.107e-17 -16.512 -16.508 0.005 28.61 Mg 5.484e-04 Mg+2 3.364e-04 1.654e-04 -3.473 -3.782 -0.308 -21.33 MgSO4 1.981e-04 2.024e-04 -3.703 -3.694 0.009 -7.91 @@ -851,28 +848,27 @@ Mg 5.484e-04 Mg(SO4)2-2 6.119e-06 3.117e-06 -5.213 -5.506 -0.293 15.48 MgCO3 4.657e-07 4.707e-07 -6.332 -6.327 0.005 -17.09 MgOH+ 1.464e-08 1.231e-08 -7.834 -7.910 -0.076 (0) -N(-3) 5.766e-14 - NH4+ 5.404e-14 4.354e-14 -13.267 -13.361 -0.094 18.07 - NH4SO4- 3.118e-15 2.599e-15 -14.506 -14.585 -0.079 1.33 - NH3 5.033e-16 5.087e-16 -15.298 -15.294 0.005 24.42 +N(-3) 5.739e-14 + NH4+ 5.379e-14 4.333e-14 -13.269 -13.363 -0.094 18.07 + NH4SO4- 3.104e-15 2.586e-15 -14.508 -14.587 -0.079 1.33 + NH3 5.009e-16 5.063e-16 -15.300 -15.296 0.005 24.42 N(0) 1.558e-03 N2 7.789e-04 7.874e-04 -3.109 -3.104 0.005 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -49.085 -49.176 -0.091 25.14 + NO2- 0.000e+00 0.000e+00 -49.083 -49.174 -0.091 25.14 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -64.299 -64.390 -0.091 29.67 + NO3- 0.000e+00 0.000e+00 -64.296 -64.387 -0.091 29.67 Na 1.000e-03 Na+ 9.278e-04 7.685e-04 -3.033 -3.114 -0.082 -1.22 NaSO4- 7.023e-05 5.849e-05 -4.153 -4.233 -0.079 -9.02 NaHCO3 2.031e-06 2.076e-06 -5.692 -5.683 0.009 31.73 - NaOH 1.577e-20 1.594e-20 -19.802 -19.797 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.373 -59.368 0.005 30.40 -S(-2) 6.319e-30 - HS- 4.701e-30 3.835e-30 -29.328 -29.416 -0.088 20.78 - H2S 1.617e-30 1.635e-30 -29.791 -29.787 0.005 36.27 - S-2 2.013e-35 9.499e-36 -34.696 -35.022 -0.326 (0) - (H2S)2 0.000e+00 0.000e+00 -60.856 -60.851 0.005 30.10 + O2 0.000e+00 0.000e+00 -59.370 -59.365 0.005 30.40 +S(-2) 6.240e-30 + HS- 4.643e-30 3.787e-30 -29.333 -29.422 -0.088 20.78 + H2S 1.597e-30 1.615e-30 -29.797 -29.792 0.005 36.27 + S-2 1.988e-35 9.380e-36 -34.702 -35.028 -0.326 (0) + (H2S)2 0.000e+00 0.000e+00 -60.867 -60.862 0.005 30.10 S(6) 1.484e-02 SO4-2 9.948e-03 4.675e-03 -2.002 -2.330 -0.328 21.52 CaSO4 4.609e-03 4.659e-03 -2.336 -2.332 0.005 7.50 @@ -882,7 +878,7 @@ S(6) 1.484e-02 BaSO4 3.580e-08 3.618e-08 -7.446 -7.441 0.005 (0) HSO4- 2.687e-08 2.216e-08 -7.571 -7.654 -0.084 40.45 CaHSO4+ 1.811e-09 1.494e-09 -8.742 -8.826 -0.084 (0) - NH4SO4- 3.118e-15 2.599e-15 -14.506 -14.585 -0.079 1.33 + NH4SO4- 3.104e-15 2.586e-15 -14.508 -14.587 -0.079 1.33 ------------------------------Saturation indices------------------------------- @@ -892,22 +888,22 @@ S(6) 1.484e-02 Aragonite 0.56 -7.78 -8.34 CaCO3 Barite -0.30 -10.14 -9.84 BaSO4 Calcite 0.70 -7.78 -8.48 CaCO3 - CH4(g) -29.70 -32.50 -2.80 CH4 + CH4(g) -29.71 -32.51 -2.80 CH4 CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Dolomite -0.00 -17.08 -17.08 CaMg(CO3)2 Epsomite -4.38 -6.11 -1.74 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -13.41 -16.51 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -28.79 -36.73 -7.94 H2S + H2S(g) -28.80 -36.73 -7.94 H2S Halite -7.66 -6.09 1.57 NaCl Hexahydrite -4.55 -6.11 -1.57 MgSO4:6H2O Kieserite -4.95 -6.11 -1.16 MgSO4:H2O Mirabilite -7.32 -8.56 -1.24 Na2SO4:10H2O N2(g) 0.07 -3.10 -3.18 N2 Pressure 1.2 atm, phi 0.999 - NH3(g) -17.09 -15.29 1.80 NH3 - O2(g) -56.48 -59.37 -2.89 O2 - Sulfur -21.31 -16.43 4.88 S + NH3(g) -17.09 -15.30 1.80 NH3 + O2(g) -56.47 -59.37 -2.89 O2 + Sulfur -21.32 -16.43 4.88 S Thenardite -8.26 -8.56 -0.30 Na2SO4 Witherite -4.78 -13.34 -8.56 BaCO3 @@ -1017,7 +1013,7 @@ Initial solution 3. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.034e-20 + Total alkalinity (eq/kg) = 8.064e-20 Temperature (°C) = 25.00 Electrical balance (eq) = -2.081e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1040,7 +1036,6 @@ H(0) 1.435e-25 H2 7.175e-26 7.176e-26 -25.144 -25.144 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.700e-21 9.703e-21 -20.013 -20.013 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.092 -42.092 0.000 30.40 @@ -1218,7 +1213,7 @@ Sulfate 1.99e+00 Specific Conductance (µS/cm, 25°C) = 2905 Density (g/cm³) = 0.99929 Volume (L) = 1.00314 - Viscosity (mPa s) = 0.90209 + Viscosity (mPa s) = 0.90223 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.706e-02 Mass of water (kg) = 1.000e+00 @@ -1246,8 +1241,8 @@ Ba 6.998e-08 BaHCO3+ 5.527e-10 4.558e-10 -9.257 -9.341 -0.084 (0) BaCO3 2.318e-11 2.343e-11 -10.635 -10.630 0.005 -10.70 BaOH+ 1.285e-14 1.065e-14 -13.891 -13.973 -0.082 (0) -C(-4) 1.857e-33 - CH4 1.857e-33 1.878e-33 -32.731 -32.726 0.005 35.46 +C(-4) 1.863e-33 + CH4 1.863e-33 1.884e-33 -32.730 -32.725 0.005 35.46 C(4) 4.158e-03 HCO3- 3.697e-03 3.076e-03 -2.432 -2.512 -0.080 24.79 CO2 3.377e-04 3.402e-04 -3.471 -3.468 0.003 34.43 @@ -1270,8 +1265,8 @@ Ca 1.640e-02 Cl 1.400e-03 Cl- 1.400e-03 1.146e-03 -2.854 -2.941 -0.087 18.25 HCl 1.853e-11 1.941e-11 -10.732 -10.712 0.020 (0) -H(0) 5.421e-17 - H2 2.710e-17 2.740e-17 -16.567 -16.562 0.005 28.61 +H(0) 5.425e-17 + H2 2.712e-17 2.742e-17 -16.567 -16.562 0.005 28.61 Mg 5.661e-04 Mg+2 3.475e-04 1.708e-04 -3.459 -3.768 -0.309 -21.33 MgSO4 2.043e-04 2.088e-04 -3.690 -3.680 0.009 -7.91 @@ -1279,28 +1274,27 @@ Mg 5.661e-04 Mg(SO4)2-2 6.307e-06 3.212e-06 -5.200 -5.493 -0.293 15.49 MgCO3 4.729e-07 4.781e-07 -6.325 -6.321 0.005 -17.09 MgOH+ 1.500e-08 1.260e-08 -7.824 -7.900 -0.076 (0) -N(-3) 4.793e-14 - NH4+ 4.492e-14 3.619e-14 -13.348 -13.441 -0.094 18.07 - NH4SO4- 2.589e-15 2.158e-15 -14.587 -14.666 -0.079 1.34 - NH3 4.148e-16 4.193e-16 -15.382 -15.377 0.005 24.42 +N(-3) 4.798e-14 + NH4+ 4.497e-14 3.623e-14 -13.347 -13.441 -0.094 18.07 + NH4SO4- 2.592e-15 2.160e-15 -14.586 -14.666 -0.079 1.34 + NH3 4.153e-16 4.198e-16 -15.382 -15.377 0.005 24.42 N(0) 1.558e-03 N2 7.789e-04 7.874e-04 -3.109 -3.104 0.005 29.29 N(3) 0.000e+00 NO2- 0.000e+00 0.000e+00 -49.005 -49.096 -0.091 25.14 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -64.163 -64.254 -0.091 29.67 + NO3- 0.000e+00 0.000e+00 -64.164 -64.255 -0.091 29.67 Na 1.000e-03 Na+ 9.278e-04 7.684e-04 -3.033 -3.114 -0.082 -1.22 NaSO4- 7.016e-05 5.843e-05 -4.154 -4.233 -0.079 -9.01 NaHCO3 2.014e-06 2.058e-06 -5.696 -5.686 0.009 31.73 - NaOH 1.564e-20 1.581e-20 -19.806 -19.801 0.005 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.261 -59.256 0.005 30.40 -S(-2) 3.810e-30 - HS- 2.829e-30 2.307e-30 -29.548 -29.637 -0.089 20.78 - H2S 9.811e-31 9.918e-31 -30.008 -30.004 0.005 36.27 - S-2 1.201e-35 5.668e-36 -34.920 -35.247 -0.326 (0) - (H2S)2 0.000e+00 0.000e+00 -61.290 -61.285 0.005 30.10 + O2 0.000e+00 0.000e+00 -59.262 -59.257 0.005 30.40 +S(-2) 3.822e-30 + HS- 2.838e-30 2.314e-30 -29.547 -29.636 -0.089 20.78 + H2S 9.842e-31 9.949e-31 -30.007 -30.002 0.005 36.27 + S-2 1.205e-35 5.685e-36 -34.919 -35.245 -0.326 (0) + (H2S)2 0.000e+00 0.000e+00 -61.287 -61.283 0.005 30.10 S(6) 1.484e-02 SO4-2 9.942e-03 4.670e-03 -2.003 -2.331 -0.328 21.52 CaSO4 4.609e-03 4.659e-03 -2.336 -2.332 0.005 7.50 @@ -1310,7 +1304,7 @@ S(6) 1.484e-02 BaSO4 3.579e-08 3.618e-08 -7.446 -7.441 0.005 (0) HSO4- 2.707e-08 2.232e-08 -7.568 -7.651 -0.084 40.45 CaHSO4+ 1.826e-09 1.506e-09 -8.738 -8.822 -0.084 (0) - NH4SO4- 2.589e-15 2.158e-15 -14.587 -14.666 -0.079 1.34 + NH4SO4- 2.592e-15 2.160e-15 -14.586 -14.666 -0.079 1.34 ------------------------------Saturation indices------------------------------- @@ -1327,7 +1321,7 @@ S(6) 1.484e-02 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -13.46 -16.56 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -29.01 -36.95 -7.94 H2S + H2S(g) -29.01 -36.94 -7.94 H2S Halite -7.63 -6.06 1.57 NaCl Hexahydrite -4.53 -6.10 -1.57 MgSO4:6H2O Kieserite -4.94 -6.10 -1.16 MgSO4:H2O diff --git a/mytest/multi_punch_1.sel b/mytest/multi_punch_1.sel index f275fffa0..45e05706d 100644 --- a/mytest/multi_punch_1.sel +++ b/mytest/multi_punch_1.sel @@ -1,6 +1,6 @@ sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err Na Ca m_Na+ m_HCO3- la_Ca+2 la_CO3-2 CO2(g) d_CO2(g) dolomite d_dolomite si_Halite pressure total mol volume g_N2(g) k_Calcite dk_Calcite s_Anhydrite s_Barite V_TOTAL_C - 8 react 1 -99 1 1 7.31927 -0.503564 1.0000e-04 25.000 0.00395209 0.046823 0.999983 2.00722e-11 4.02971e-08 1.0000e-03 1.6349e-02 9.2758e-04 3.7905e-03 -2.2524e+00 -5.5106e+00 9.9988e+00 -1.2280e-03 9.9995e+00 -5.1368e-04 -7.7299 1.1810e+00 4.8295e-02 1.0000e+00 4.8295e-02 3.0013e-03 1.3415e-06 9.8516e-01 1.0000e+00 4.2541e-03 - 10 react 1 -99 1 1 7.31187 -0.633748 1.0000e-04 25.000 0.00388579 0.0469813 0.999986 5.86253e-11 1.17164e-07 1.0000e-03 1.6382e-02 9.2775e-04 3.7272e-03 -2.2514e+00 -5.5254e+00 9.9989e+00 6.5801e-05 9.9995e+00 -1.7481e-05 -7.6575 1.1810e+00 4.8295e-02 1.0000e+00 4.8295e-02 3.0040e-03 1.3003e-06 9.8516e-01 1.0000e+00 4.1889e-03 + 8 react 1 -99 1 1 7.31927 -0.504081 1.0000e-04 25.000 0.00395209 0.046823 0.999983 2.00724e-11 4.02974e-08 1.0000e-03 1.6349e-02 9.2758e-04 3.7905e-03 -2.2524e+00 -5.5106e+00 9.9988e+00 -1.2280e-03 9.9995e+00 -5.1368e-04 -7.7299 1.1810e+00 4.8295e-02 1.0000e+00 4.8295e-02 3.0013e-03 1.3415e-06 9.8516e-01 1.0000e+00 4.2541e-03 + 10 react 1 -99 1 1 7.31187 -0.633067 1.0000e-04 25.000 0.00388579 0.0469813 0.999986 5.86254e-11 1.17164e-07 1.0000e-03 1.6382e-02 9.2775e-04 3.7272e-03 -2.2514e+00 -5.5254e+00 9.9989e+00 6.5801e-05 9.9995e+00 -1.7481e-05 -7.6575 1.1810e+00 4.8295e-02 1.0000e+00 4.8295e-02 3.0040e-03 1.3003e-06 9.8516e-01 1.0000e+00 4.1889e-03 11 i_soln 2 -99 -99 -99 6.99738 4 -99 25.000 3.04033e-17 1.00644e-07 1 -3.04033e-17 -1.51044e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -1.0000e+03 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 - 12 i_soln 3 -99 -99 -99 6.99705 4 -99 25.000 9.03414e-20 0.0010001 1 -2.08097e-17 -1.04037e-12 1.0000e-03 0.0000e+00 1.0000e-03 0.0000e+00 -1.0000e+03 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -7.6009 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 - 14 react 1 -99 1 1 7.30827 -0.602176 1.0000e-04 25.000 0.00385401 0.0470621 0.999987 7.76245e-11 1.54777e-07 1.0000e-03 1.6399e-02 9.2784e-04 3.6969e-03 -2.2510e+00 -5.5326e+00 9.9990e+00 6.5370e-05 9.9994e+00 -1.7696e-05 -7.6254 1.1810e+00 4.8295e-02 1.0000e+00 4.8295e-02 3.0052e-03 1.2806e-06 9.8516e-01 1.0000e+00 4.1576e-03 + 12 i_soln 3 -99 -99 -99 6.99705 4 -99 25.000 8.06402e-20 0.0010001 1 -2.08097e-17 -1.04037e-12 1.0000e-03 0.0000e+00 1.0000e-03 0.0000e+00 -1.0000e+03 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -7.6009 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 + 14 react 1 -99 1 1 7.30827 -0.602346 1.0000e-04 25.000 0.00385401 0.0470621 0.999987 7.76245e-11 1.54777e-07 1.0000e-03 1.6399e-02 9.2784e-04 3.6969e-03 -2.2510e+00 -5.5326e+00 9.9990e+00 6.5370e-05 9.9994e+00 -1.7696e-05 -7.6254 1.1810e+00 4.8295e-02 1.0000e+00 4.8295e-02 3.0052e-03 1.2806e-06 9.8516e-01 1.0000e+00 4.1576e-03 diff --git a/mytest/multi_punch_101.sel b/mytest/multi_punch_101.sel index 91b2cd219..ab06f3f86 100644 --- a/mytest/multi_punch_101.sel +++ b/mytest/multi_punch_101.sel @@ -1,7 +1,7 @@ Mu SC - 0.003959290572 313.6184348637 - 0.046822966934 2885.5507949244 - 0.046901565484 2892.1479769214 - 0.046981276156 2898.8167962176 + 0.003959290572 313.6115857236 + 0.046822966934 2885.3481996699 + 0.046901565484 2891.9461057047 + 0.046981276156 2898.6156144143 0.000000100644 0.0547821292 - 0.001000104161 122.9172139310 + 0.001000104161 122.9172139030 diff --git a/mytest/n3.out b/mytest/n3.out index 3be9a25c7..94e86ff25 100644 --- a/mytest/n3.out +++ b/mytest/n3.out @@ -111,7 +111,6 @@ N(5) 1.000e-06 NO3- 1.000e-06 9.884e-07 -6.000 -6.005 -0.005 (0) Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 (0) - NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -189,7 +188,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-04 Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 (0) - NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/negative_user_number.dmp b/mytest/negative_user_number.dmp index 77feaa4aa..02d5467b3 100644 --- a/mytest/negative_user_number.dmp +++ b/mytest/negative_user_number.dmp @@ -9,7 +9,7 @@ SOLUTION_RAW 0 Solution after simulation 1. -total_o 55.506216797549 -cb -1.2165147297221e-09 -density 0.99704301397646 - -viscosity 0.89002433346327 + -viscosity 0.89002433302999 -totals O(0) 9.7002311268256e-12 -pH 7.0000004463628 @@ -32,7 +32,7 @@ SOLUTION_RAW 1 Solution after simulation 1. -total_o 55.506216797549 -cb -1.2165147297221e-09 -density 0.99704301397646 - -viscosity 0.89002433346327 + -viscosity 0.89002433302999 -totals O(0) 9.7002311268256e-12 -pH 7.0000004463628 @@ -55,7 +55,7 @@ SOLUTION_RAW 2 -total_o 55.506216797539 -cb -1.2165147297223e-09 -density 0.99704301397679 - -viscosity 0.89002433349591 + -viscosity 0.89002433306257 -totals H(0) 1.4158915035641e-25 -pH 7 @@ -78,7 +78,7 @@ SOLUTION_RAW 3 Solution after simulation 1. -total_o 66.961476207279 -cb 0.42648728822266 -density 0.99704301359428 - -viscosity 1.1976072536943 + -viscosity 1.201116143209 -totals Ca 0.021376904397603 K 0.0020375615986303 @@ -92,7 +92,7 @@ SOLUTION_RAW 3 Solution after simulation 1. -ah2o 0.99466105182816 -mass_water 1.20637158 -soln_vol 1.2060805796319 - -total_alkalinity 5.0083249020514e-08 + -total_alkalinity 5.0083249019595e-08 -activities Ca -2.2461264578795 E -14.485270186726 @@ -111,7 +111,7 @@ SOLUTION_RAW 4 Solution after simulation 1. -total_o 94.862091016112 -cb 0.60419032321446 -density 1.0052777174096 - -viscosity 1.1976072536943 + -viscosity 1.201116143209 -totals Ca 0.030283947808005 K 0.0028865455896146 @@ -125,7 +125,7 @@ SOLUTION_RAW 4 Solution after simulation 1. -ah2o 0.99466105182816 -mass_water 1.7090264 -soln_vol 1.7086141494797 - -total_alkalinity 7.095126923815e-08 + -total_alkalinity 7.0951269236848e-08 -activities Ca -2.2461264578795 E -14.485270186726 diff --git a/mytest/negative_user_number.out b/mytest/negative_user_number.out index 7b25cd5c3..9f5693596 100644 --- a/mytest/negative_user_number.out +++ b/mytest/negative_user_number.out @@ -146,10 +146,10 @@ Initial solution 3. pH = 6.940 pe = 14.485 Equilibrium with O2(g) - Specific Conductance (µS/cm, 15°C) = 10457 + Specific Conductance (µS/cm, 15°C) = 10431 Density (g/cm³) = 1.00786 Volume (L) = 1.20608 - Viscosity (mPa s) = 1.19761 + Viscosity (mPa s) = 1.20112 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.164e-01 Mass of water (kg) = 1.206e+00 @@ -181,7 +181,6 @@ Mg 2.140e-02 MgOH+ 1.187e-07 9.062e-08 -6.925 -7.043 -0.117 (0) Na 2.726e-01 Na+ 2.726e-01 2.038e-01 -0.564 -0.691 -0.126 -1.48 - NaOH 7.621e-19 8.010e-19 -18.118 -18.096 0.022 (0) O(0) 2.931e-04 O2 1.466e-04 1.541e-04 -3.834 -3.812 0.022 29.51 Sr 5.000e-04 @@ -215,10 +214,10 @@ Initial solution 4. pH = 6.940 pe = 14.485 Equilibrium with O2(g) - Specific Conductance (µS/cm, 15°C) = 10457 + Specific Conductance (µS/cm, 15°C) = 10431 Density (g/cm³) = 1.00786 Volume (L) = 1.70861 - Viscosity (mPa s) = 1.19761 + Viscosity (mPa s) = 1.20112 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.164e-01 Mass of water (kg) = 1.709e+00 @@ -250,7 +249,6 @@ Mg 2.140e-02 MgOH+ 1.187e-07 9.062e-08 -6.925 -7.043 -0.117 (0) Na 2.726e-01 Na+ 2.726e-01 2.038e-01 -0.564 -0.691 -0.126 -1.48 - NaOH 7.621e-19 8.010e-19 -18.118 -18.096 0.022 (0) O(0) 2.931e-04 O2 1.466e-04 1.541e-04 -3.834 -3.812 0.022 29.51 Sr 5.000e-04 @@ -294,10 +292,10 @@ Mixture 3. pH = 6.940 Charge balance pe = 14.485 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 15°C) = 10457 + Specific Conductance (µS/cm, 15°C) = 10431 Density (g/cm³) = 1.00786 Volume (L) = 0.23780 - Viscosity (mPa s) = 1.19761 + Viscosity (mPa s) = 1.20112 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.164e-01 Mass of water (kg) = 2.379e-01 @@ -329,7 +327,6 @@ Mg 2.140e-02 MgOH+ 1.187e-07 9.062e-08 -6.925 -7.043 -0.117 (0) Na 2.726e-01 Na+ 2.726e-01 2.038e-01 -0.564 -0.691 -0.126 -1.48 - NaOH 7.621e-19 8.010e-19 -18.118 -18.096 0.022 (0) O(0) 2.931e-04 O2 1.466e-04 1.541e-04 -3.834 -3.812 0.022 29.51 Sr 5.000e-04 @@ -583,7 +580,7 @@ Reading input data for simulation 2. -total_o 55.506216797549 -cb -1.2165147297221e-09 -density 0.99704301397646 - -viscosity 0.89002433346327 + -viscosity 0.89002433302999 -totals O(0) 9.7002311268256e-12 -pH 7.0000004463628 @@ -606,7 +603,7 @@ Reading input data for simulation 2. -total_o 55.506216797549 -cb -1.2165147297221e-09 -density 0.99704301397646 - -viscosity 0.89002433346327 + -viscosity 0.89002433302999 -totals O(0) 9.7002311268256e-12 -pH 7.0000004463628 @@ -629,7 +626,7 @@ Reading input data for simulation 2. -total_o 55.506216797539 -cb -1.2165147297223e-09 -density 0.99704301397679 - -viscosity 0.89002433349591 + -viscosity 0.89002433306257 -totals H(0) 1.4158915035641e-25 -pH 7 @@ -652,7 +649,7 @@ Reading input data for simulation 2. -total_o 66.961476207279 -cb 0.42648728822266 -density 0.99704301359428 - -viscosity 1.1976072536943 + -viscosity 1.201116143209 -totals Ca 0.021376904397603 K 0.0020375615986303 @@ -666,7 +663,7 @@ Reading input data for simulation 2. -ah2o 0.99466105182816 -mass_water 1.20637158 -soln_vol 1.2060805796319 - -total_alkalinity 5.0083249020514e-08 + -total_alkalinity 5.0083249019595e-08 -activities Ca -2.2461264578795 E -14.485270186726 @@ -685,7 +682,7 @@ Reading input data for simulation 2. -total_o 94.862091016112 -cb 0.60419032321446 -density 1.0052777174096 - -viscosity 1.1976072536943 + -viscosity 1.201116143209 -totals Ca 0.030283947808005 K 0.0028865455896146 @@ -699,7 +696,7 @@ Reading input data for simulation 2. -ah2o 0.99466105182816 -mass_water 1.7090264 -soln_vol 1.7086141494797 - -total_alkalinity 7.095126923815e-08 + -total_alkalinity 7.0951269236848e-08 -activities Ca -2.2461264578795 E -14.485270186726 diff --git a/mytest/negative_user_number_101.sel b/mytest/negative_user_number_101.sel index 4cec00c3b..b4b6eaf5e 100644 --- a/mytest/negative_user_number_101.sel +++ b/mytest/negative_user_number_101.sel @@ -1,7 +1,7 @@ Mu SC 0.000000100661 0.0546997340 - 0.216384405288 10457.0261750908 - 0.216384405288 10457.0261750908 - 0.216384405289 10457.0261750906 - 0.216384405289 10457.0261750906 - 0.216384405289 10457.0261750908 + 0.216384405288 10431.9587262161 + 0.216384405288 10431.9587262161 + 0.216384405289 10431.9587262159 + 0.216384405289 10431.9587262159 + 0.216384405289 10431.9587262161 diff --git a/mytest/netpathxl.out b/mytest/netpathxl.out index 0c7f88fb2..3d5e2a80e 100644 --- a/mytest/netpathxl.out +++ b/mytest/netpathxl.out @@ -120,10 +120,10 @@ Initial solution 1. 02S-01E-22 ABB 1 Chapman Line Camp well pH = 6.860 pe = 4.000 - Specific Conductance (µS/cm, 19°C) = 546 + Specific Conductance (µS/cm, 19°C) = 545 Density (g/cm³) = 0.99891 Volume (L) = 1.00170 - Viscosity (mPa s) = 1.03862 + Viscosity (mPa s) = 1.04097 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.869e-03 Mass of water (kg) = 1.000e+00 @@ -219,7 +219,6 @@ Na 5.235e-04 NaHCO3 1.818e-06 1.827e-06 -5.740 -5.738 0.002 31.79 NaSO4- 8.486e-07 7.694e-07 -6.071 -6.114 -0.043 -16.39 NaF 2.536e-09 2.542e-09 -8.596 -8.595 0.001 7.00 - NaOH 2.099e-21 2.104e-21 -20.678 -20.677 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.774 -44.773 0.001 29.87 S(6) 1.979e-04 @@ -303,7 +302,7 @@ Initial solution 2. 01S-04E-03 ACA 1 Specific Conductance (µS/cm, 18°C) = 774 Density (g/cm³) = 0.99912 Volume (L) = 1.00168 - Viscosity (mPa s) = 1.04824 + Viscosity (mPa s) = 1.05028 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.380e-02 Mass of water (kg) = 1.000e+00 @@ -399,7 +398,6 @@ Na 8.874e-04 NaHCO3 3.416e-06 3.438e-06 -5.466 -5.464 0.003 31.79 NaSO4- 2.095e-06 1.872e-06 -5.679 -5.728 -0.049 -15.31 NaF 3.929e-09 3.942e-09 -8.406 -8.404 0.001 6.99 - NaOH 3.742e-21 3.754e-21 -20.427 -20.426 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.718 -44.717 0.001 29.84 S(6) 3.286e-04 @@ -480,10 +478,10 @@ Initial solution 3. 01S-05E-27 AAB 1 pH = 6.910 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 578 + Specific Conductance (µS/cm, 18°C) = 577 Density (g/cm³) = 0.99902 Volume (L) = 1.00163 - Viscosity (mPa s) = 1.04969 + Viscosity (mPa s) = 1.05199 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.088e-02 Mass of water (kg) = 1.000e+00 @@ -579,7 +577,6 @@ Na 2.147e-04 NaHCO3 8.010e-07 8.050e-07 -6.096 -6.094 0.002 31.79 NaSO4- 1.866e-07 1.685e-07 -6.729 -6.773 -0.044 -16.15 NaF 4.928e-10 4.940e-10 -9.307 -9.306 0.001 6.99 - NaOH 9.313e-22 9.336e-22 -21.031 -21.030 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.713 -44.711 0.001 29.83 S(6) 1.123e-04 @@ -660,10 +657,10 @@ Initial solution 4. 01S-06E-22 BCC 1 Washington Spring pH = 7.100 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 522 + Specific Conductance (µS/cm, 18°C) = 521 Density (g/cm³) = 0.99914 Volume (L) = 1.00146 - Viscosity (mPa s) = 1.07084 + Viscosity (mPa s) = 1.07265 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.023e-02 Mass of water (kg) = 1.000e+00 @@ -759,7 +756,6 @@ Na 9.443e-05 NaHCO3 3.586e-07 3.603e-07 -6.445 -6.443 0.002 31.80 NaSO4- 3.789e-08 3.431e-08 -7.421 -7.465 -0.043 -16.54 NaF 4.368e-10 4.378e-10 -9.360 -9.359 0.001 6.95 - NaOH 5.961e-22 5.975e-22 -21.225 -21.224 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.231 -44.230 0.001 29.75 S(6) 5.108e-05 @@ -840,10 +836,10 @@ Initial solution 5. 01S-06E-26 ADD 1 pH = 6.700 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 751 + Specific Conductance (µS/cm, 18°C) = 750 Density (g/cm³) = 0.99917 Volume (L) = 1.00175 - Viscosity (mPa s) = 1.04827 + Viscosity (mPa s) = 1.05286 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.438e-02 Mass of water (kg) = 1.000e+00 @@ -939,7 +935,6 @@ Na 3.768e-04 NaHCO3 1.838e-06 1.850e-06 -5.736 -5.733 0.003 31.79 NaSO4- 4.701e-07 4.192e-07 -6.328 -6.378 -0.050 -15.16 NaF 8.252e-10 8.279e-10 -9.083 -9.082 0.001 6.99 - NaOH 1.000e-21 1.004e-21 -21.000 -20.998 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.518 -45.517 0.001 29.84 S(6) 1.778e-04 @@ -1022,7 +1017,7 @@ Initial solution 6. 01S-07E-23 BCC 1 Wood well Specific Conductance (µS/cm, 18°C) = 1256 Density (g/cm³) = 0.99924 Volume (L) = 1.00170 - Viscosity (mPa s) = 1.04914 + Viscosity (mPa s) = 1.04951 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.752e-02 Mass of water (kg) = 1.000e+00 @@ -1110,7 +1105,6 @@ Na 6.143e-03 NaSO4- 1.788e-05 1.579e-05 -4.748 -4.802 -0.054 -14.42 NaHCO3 1.708e-05 1.722e-05 -4.767 -4.764 0.004 31.79 NaF 9.416e-08 9.454e-08 -7.026 -7.024 0.002 6.99 - NaOH 5.103e-20 5.124e-20 -19.292 -19.290 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.519 -43.517 0.002 29.84 S(6) 4.162e-04 @@ -1194,7 +1188,7 @@ Initial solution 7. 02S-05E-08 ABB 1 Johnston County RWD 3 Well 1 Specific Conductance (µS/cm, 16°C) = 508 Density (g/cm³) = 0.99938 Volume (L) = 1.00123 - Viscosity (mPa s) = 1.11005 + Viscosity (mPa s) = 1.11233 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.023e-02 Mass of water (kg) = 1.000e+00 @@ -1290,7 +1284,6 @@ Na 1.661e-04 NaHCO3 5.831e-07 5.859e-07 -6.234 -6.232 0.002 31.81 NaSO4- 1.584e-07 1.435e-07 -6.800 -6.843 -0.043 -16.87 NaF 7.744e-10 7.762e-10 -9.111 -9.110 0.001 6.88 - NaOH 6.922e-22 6.938e-22 -21.160 -21.159 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.241 -45.240 0.001 29.62 S(6) 1.222e-04 @@ -1373,7 +1366,7 @@ Initial solution 8. 02S-06E-11 DBC 1 Specific Conductance (µS/cm, 18°C) = 566 Density (g/cm³) = 0.99896 Volume (L) = 1.00165 - Viscosity (mPa s) = 1.04438 + Viscosity (mPa s) = 1.04611 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.053e-02 Mass of water (kg) = 1.000e+00 @@ -1466,7 +1459,6 @@ Na 1.575e-04 NaHCO3 5.907e-07 5.936e-07 -6.229 -6.227 0.002 31.79 NaSO4- 1.176e-07 1.063e-07 -6.930 -6.973 -0.044 -16.22 NaF 3.627e-10 3.636e-10 -9.440 -9.439 0.001 6.99 - NaOH 9.600e-22 9.623e-22 -21.018 -21.017 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.083 -44.082 0.001 29.85 S(6) 9.506e-05 @@ -1546,10 +1538,10 @@ Initial solution 9. 02S-06E-18 CAA 1 Unnamed Spring pH = 7.020 pe = 4.000 - Specific Conductance (µS/cm, 17°C) = 548 + Specific Conductance (µS/cm, 17°C) = 547 Density (g/cm³) = 0.99918 Volume (L) = 1.00146 - Viscosity (mPa s) = 1.07377 + Viscosity (mPa s) = 1.07600 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.083e-02 Mass of water (kg) = 1.000e+00 @@ -1645,7 +1637,6 @@ Na 9.339e-05 NaHCO3 3.690e-07 3.709e-07 -6.433 -6.431 0.002 31.80 NaSO4- 4.311e-08 3.894e-08 -7.365 -7.410 -0.044 -16.37 NaF 2.140e-10 2.145e-10 -9.670 -9.669 0.001 6.94 - NaOH 4.850e-22 4.862e-22 -21.314 -21.313 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.586 -44.584 0.001 29.74 S(6) 5.999e-05 @@ -1729,7 +1720,7 @@ Initial solution 10. 02S-07E-05 CBA 1 Specific Conductance (µS/cm, 18°C) = 502 Density (g/cm³) = 0.99899 Volume (L) = 1.00154 - Viscosity (mPa s) = 1.05439 + Viscosity (mPa s) = 1.05563 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.400e-03 Mass of water (kg) = 1.000e+00 @@ -1825,7 +1816,6 @@ Na 3.186e-04 NaHCO3 1.081e-06 1.086e-06 -5.966 -5.964 0.002 31.79 NaSO4- 4.489e-07 4.079e-07 -6.348 -6.389 -0.042 -16.69 NaF 1.498e-09 1.502e-09 -8.824 -8.823 0.001 6.98 - NaOH 2.668e-21 2.674e-21 -20.574 -20.573 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.622 -43.621 0.001 29.81 S(6) 1.729e-04 @@ -1906,10 +1896,10 @@ Initial solution 11. 02S-07E-17 BCB 1 pH = 6.800 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 554 + Specific Conductance (µS/cm, 20°C) = 553 Density (g/cm³) = 0.99877 Volume (L) = 1.00188 - Viscosity (mPa s) = 1.01854 + Viscosity (mPa s) = 1.02159 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.038e-02 Mass of water (kg) = 1.000e+00 @@ -2005,7 +1995,6 @@ Na 7.015e-05 NaHCO3 2.799e-07 2.812e-07 -6.553 -6.551 0.002 31.78 NaSO4- 3.723e-08 3.368e-08 -7.429 -7.473 -0.044 -16.05 NaF 1.617e-10 1.621e-10 -9.791 -9.790 0.001 7.04 - NaOH 2.609e-22 2.615e-22 -21.584 -21.583 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.738 -44.737 0.001 29.94 S(6) 6.722e-05 @@ -2086,10 +2075,10 @@ Initial solution 12. 03S-04E-04 BCD 1 pH = 6.880 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 544 + Specific Conductance (µS/cm, 20°C) = 543 Density (g/cm³) = 0.99875 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.01835 + Viscosity (mPa s) = 1.02088 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 1.000e+00 @@ -2185,7 +2174,6 @@ Na 7.511e-05 NaHCO3 2.880e-07 2.893e-07 -6.541 -6.539 0.002 31.78 NaSO4- 3.473e-08 3.146e-08 -7.459 -7.502 -0.043 -16.14 NaF 3.551e-10 3.560e-10 -9.450 -9.449 0.001 7.04 - NaOH 3.363e-22 3.371e-22 -21.473 -21.472 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.418 -44.417 0.001 29.94 S(6) 5.752e-05 @@ -2266,10 +2254,10 @@ Initial solution 13. 01S-01E-21 CDD 1 pH = 6.740 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 550 + Specific Conductance (µS/cm, 20°C) = 549 Density (g/cm³) = 0.99870 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.01090 + Viscosity (mPa s) = 1.01414 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.013e-02 Mass of water (kg) = 1.000e+00 @@ -2365,7 +2353,6 @@ Na 7.093e-05 NaHCO3 2.769e-07 2.782e-07 -6.558 -6.556 0.002 31.78 NaSO4- 4.250e-08 3.849e-08 -7.372 -7.415 -0.043 -16.07 NaF 1.671e-10 1.675e-10 -9.777 -9.776 0.001 7.05 - NaOH 2.356e-22 2.362e-22 -21.628 -21.627 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.875 -44.874 0.001 29.97 S(6) 7.443e-05 @@ -2446,10 +2433,10 @@ Initial solution 14. 01S-03E-01 ABB 1 Antelope Spring at Sulphur, OK pH = 7.090 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 528 + Specific Conductance (µS/cm, 18°C) = 527 Density (g/cm³) = 0.99907 Volume (L) = 1.00150 - Viscosity (mPa s) = 1.06263 + Viscosity (mPa s) = 1.06431 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.017e-02 Mass of water (kg) = 1.000e+00 @@ -2545,7 +2532,6 @@ Na 1.467e-04 NaHCO3 5.193e-07 5.217e-07 -6.285 -6.283 0.002 31.79 NaSO4- 2.033e-07 1.841e-07 -6.692 -6.735 -0.043 -16.49 NaF 3.408e-10 3.416e-10 -9.468 -9.467 0.001 6.96 - NaOH 9.268e-22 9.290e-22 -21.033 -21.032 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.166 -44.165 0.001 29.78 S(6) 1.757e-04 @@ -2628,7 +2614,7 @@ Initial solution 15. 01S-03E-03 ABA 1 Vendome Well Specific Conductance (µS/cm, 20°C) = 2071 Density (g/cm³) = 0.99935 Volume (L) = 1.00208 - Viscosity (mPa s) = 1.01980 + Viscosity (mPa s) = 1.02009 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.550e-02 Mass of water (kg) = 1.000e+00 @@ -2716,7 +2702,6 @@ Na 1.374e-02 NaHCO3 4.071e-05 4.119e-05 -4.390 -4.385 0.005 31.78 NaSO4- 3.200e-05 2.770e-05 -4.495 -4.557 -0.063 -12.69 NaF 2.015e-07 2.027e-07 -6.696 -6.693 0.003 7.04 - NaOH 1.071e-19 1.078e-19 -18.970 -18.968 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.346 -43.343 0.003 29.95 S(6) 3.663e-04 @@ -2797,10 +2782,10 @@ Initial solution 16. 01S-03E-24 BAA 1 pH = 6.930 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 672 + Specific Conductance (µS/cm, 18°C) = 671 Density (g/cm³) = 0.99911 Volume (L) = 1.00162 - Viscosity (mPa s) = 1.05302 + Viscosity (mPa s) = 1.05543 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.250e-02 Mass of water (kg) = 1.000e+00 @@ -2896,7 +2881,6 @@ Na 4.800e-04 NaHCO3 1.947e-06 1.958e-06 -5.711 -5.708 0.003 31.79 NaSO4- 1.308e-06 1.174e-06 -5.883 -5.930 -0.047 -15.70 NaF 2.151e-09 2.157e-09 -8.667 -8.666 0.001 6.98 - NaOH 2.143e-21 2.149e-21 -20.669 -20.668 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.667 -44.666 0.001 29.82 S(6) 3.680e-04 @@ -2977,10 +2961,10 @@ Initial solution 17. 01S-04E-05 DAD 1 pH = 6.700 pe = 4.000 - Specific Conductance (µS/cm, 19°C) = 653 + Specific Conductance (µS/cm, 19°C) = 652 Density (g/cm³) = 0.99892 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.02932 + Viscosity (mPa s) = 1.03253 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.163e-02 Mass of water (kg) = 1.000e+00 @@ -3076,7 +3060,6 @@ Na 3.625e-04 NaHCO3 1.459e-06 1.467e-06 -5.836 -5.834 0.002 31.78 NaSO4- 2.768e-07 2.492e-07 -6.558 -6.603 -0.046 -15.75 NaF 8.376e-10 8.398e-10 -9.077 -9.076 0.001 7.02 - NaOH 1.031e-21 1.034e-21 -20.987 -20.986 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.276 -45.275 0.001 29.90 S(6) 9.886e-05 @@ -3157,10 +3140,10 @@ Initial solution 18. 01S-04E-09 CCB 1 pH = 6.730 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 715 + Specific Conductance (µS/cm, 18°C) = 714 Density (g/cm³) = 0.99912 Volume (L) = 1.00168 - Viscosity (mPa s) = 1.05029 + Viscosity (mPa s) = 1.05318 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.261e-02 Mass of water (kg) = 1.000e+00 @@ -3256,7 +3239,6 @@ Na 5.741e-04 NaSO4- 2.224e-06 1.995e-06 -5.653 -5.700 -0.047 -15.64 NaHCO3 2.143e-06 2.155e-06 -5.669 -5.667 0.003 31.79 NaF 2.682e-09 2.690e-09 -8.572 -8.570 0.001 6.99 - NaOH 1.628e-21 1.633e-21 -20.788 -20.787 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.433 -45.431 0.001 29.83 S(6) 5.123e-04 @@ -3337,10 +3319,10 @@ Initial solution 19. 02S-01E-02 CBA 1 pH = 6.750 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 546 + Specific Conductance (µS/cm, 18°C) = 545 Density (g/cm³) = 0.99909 Volume (L) = 1.00157 - Viscosity (mPa s) = 1.05986 + Viscosity (mPa s) = 1.06314 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.043e-02 Mass of water (kg) = 1.000e+00 @@ -3436,7 +3418,6 @@ Na 7.877e-05 NaHCO3 2.905e-07 2.919e-07 -6.537 -6.535 0.002 31.79 NaSO4- 5.526e-08 5.000e-08 -7.258 -7.301 -0.043 -16.38 NaF 1.910e-10 1.914e-10 -9.719 -9.718 0.001 6.97 - NaOH 2.293e-22 2.298e-22 -21.640 -21.639 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.491 -45.490 0.001 29.79 S(6) 8.810e-05 @@ -3517,10 +3498,10 @@ Initial solution 20. 02S-01W-03 CCD 1 pH = 6.820 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 532 + Specific Conductance (µS/cm, 18°C) = 531 Density (g/cm³) = 0.99905 Volume (L) = 1.00158 - Viscosity (mPa s) = 1.05718 + Viscosity (mPa s) = 1.05999 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.002e-02 Mass of water (kg) = 1.000e+00 @@ -3616,7 +3597,6 @@ Na 6.506e-05 NaHCO3 2.368e-07 2.379e-07 -6.626 -6.624 0.002 31.79 NaSO4- 8.187e-08 7.420e-08 -7.087 -7.130 -0.043 -16.50 NaF 3.154e-10 3.161e-10 -9.501 -9.500 0.001 6.97 - NaOH 2.246e-22 2.251e-22 -21.649 -21.648 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.177 -45.176 0.001 29.80 S(6) 1.554e-04 @@ -3700,7 +3680,7 @@ Initial solution 21. 02S-02E-18 BDB 1 Specific Conductance (µS/cm, 19°C) = 525 Density (g/cm³) = 0.99892 Volume (L) = 1.00167 - Viscosity (mPa s) = 1.04120 + Viscosity (mPa s) = 1.04332 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.794e-03 Mass of water (kg) = 1.000e+00 @@ -3796,7 +3776,6 @@ Na 1.330e-04 NaHCO3 4.766e-07 4.788e-07 -6.322 -6.320 0.002 31.79 NaSO4- 7.442e-08 6.750e-08 -7.128 -7.171 -0.042 -16.44 NaF 6.466e-10 6.481e-10 -9.189 -9.188 0.001 7.00 - NaOH 6.515e-22 6.530e-22 -21.186 -21.185 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.448 -44.447 0.001 29.86 S(6) 6.853e-05 @@ -3880,7 +3859,7 @@ Initial solution 22. 02S-03E-10 CDD 1 Specific Conductance (µS/cm, 19°C) = 347 Density (g/cm³) = 0.99876 Volume (L) = 1.00160 - Viscosity (mPa s) = 1.03991 + Viscosity (mPa s) = 1.04079 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.215e-03 Mass of water (kg) = 1.000e+00 @@ -3976,7 +3955,6 @@ Na 1.370e-04 NaHCO3 2.971e-07 2.980e-07 -6.527 -6.526 0.001 31.79 NaSO4- 1.635e-07 1.509e-07 -6.787 -6.821 -0.035 -17.86 NaF 3.481e-10 3.486e-10 -9.458 -9.458 0.001 7.00 - NaOH 9.670e-22 9.684e-22 -21.015 -21.014 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.848 -43.847 0.001 29.86 S(6) 1.280e-04 @@ -4060,7 +4038,7 @@ Initial solution 23. 02S-04E-09 DAB 1 Specific Conductance (µS/cm, 21°C) = 589 Density (g/cm³) = 0.99853 Volume (L) = 1.00211 - Viscosity (mPa s) = 0.99148 + Viscosity (mPa s) = 0.99398 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.022e-02 Mass of water (kg) = 1.000e+00 @@ -4156,7 +4134,6 @@ Na 1.687e-04 NaHCO3 6.247e-07 6.277e-07 -6.204 -6.202 0.002 31.77 NaSO4- 1.054e-07 9.540e-08 -6.977 -7.020 -0.043 -15.88 NaF 3.918e-10 3.928e-10 -9.407 -9.406 0.001 7.09 - NaOH 6.549e-22 6.564e-22 -21.184 -21.183 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.441 -44.440 0.001 30.04 S(6) 7.767e-05 @@ -4237,10 +4214,10 @@ Initial solution 24. 02S-04E-28 DCB 1 pH = 6.990 pe = 4.000 - Specific Conductance (µS/cm, 19°C) = 502 + Specific Conductance (µS/cm, 19°C) = 501 Density (g/cm³) = 0.99883 Volume (L) = 1.00171 - Viscosity (mPa s) = 1.03343 + Viscosity (mPa s) = 1.03515 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.299e-03 Mass of water (kg) = 1.000e+00 @@ -4336,7 +4313,6 @@ Na 1.781e-04 NaHCO3 5.912e-07 5.937e-07 -6.228 -6.226 0.002 31.78 NaSO4- 1.245e-07 1.131e-07 -6.905 -6.946 -0.041 -16.54 NaF 4.179e-10 4.188e-10 -9.379 -9.378 0.001 7.01 - NaOH 9.827e-22 9.849e-22 -21.008 -21.007 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.185 -44.184 0.001 29.88 S(6) 8.558e-05 @@ -4418,7 +4394,7 @@ Initial solution 25. 01N-05E-22 CBB 1 Specific Conductance (µS/cm, 17°C) = 414 Density (g/cm³) = 0.99918 Volume (L) = 1.00129 - Viscosity (mPa s) = 1.09212 + Viscosity (mPa s) = 1.09380 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.066e-03 Mass of water (kg) = 1.000e+00 @@ -4509,7 +4485,6 @@ Na 8.550e-05 NaHCO3 2.443e-07 2.452e-07 -6.612 -6.611 0.002 31.80 NaSO4- 8.029e-08 7.341e-08 -7.095 -7.134 -0.039 -17.50 NaF 2.055e-10 2.059e-10 -9.687 -9.686 0.001 6.91 - NaOH 3.965e-22 3.973e-22 -21.402 -21.401 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.950 -44.949 0.001 29.68 S(6) 1.112e-04 @@ -4591,7 +4566,7 @@ Initial solution 26. 01N-06E-07 CDC 1 Specific Conductance (µS/cm, 19°C) = 490 Density (g/cm³) = 0.99878 Volume (L) = 1.00174 - Viscosity (mPa s) = 1.02824 + Viscosity (mPa s) = 1.02985 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.198e-03 Mass of water (kg) = 1.000e+00 @@ -4687,7 +4662,6 @@ Na 5.148e-05 NaHCO3 1.749e-07 1.757e-07 -6.757 -6.755 0.002 31.78 NaSO4- 2.398e-08 2.180e-08 -7.620 -7.661 -0.041 -16.54 NaF 1.205e-10 1.208e-10 -9.919 -9.918 0.001 7.02 - NaOH 3.317e-22 3.324e-22 -21.479 -21.478 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.876 -43.875 0.001 29.90 S(6) 5.697e-05 @@ -4768,10 +4742,10 @@ Initial solution 27. 01N-07E-30 DBB 1 pH = 6.750 pe = 4.000 - Specific Conductance (µS/cm, 19°C) = 569 + Specific Conductance (µS/cm, 19°C) = 568 Density (g/cm³) = 0.99892 Volume (L) = 1.00175 - Viscosity (mPa s) = 1.03643 + Viscosity (mPa s) = 1.03962 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.053e-02 Mass of water (kg) = 1.000e+00 @@ -4867,7 +4841,6 @@ Na 1.471e-04 NaHCO3 5.683e-07 5.711e-07 -6.245 -6.243 0.002 31.78 NaSO4- 1.400e-07 1.266e-07 -6.854 -6.898 -0.044 -16.15 NaF 3.485e-10 3.494e-10 -9.458 -9.457 0.001 7.01 - NaOH 4.604e-22 4.615e-22 -21.337 -21.336 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.179 -45.178 0.001 29.88 S(6) 1.196e-04 @@ -4951,7 +4924,7 @@ Initial solution 28. 02N-05E-17 BDD 1 Specific Conductance (µS/cm, 18°C) = 543 Density (g/cm³) = 0.99896 Volume (L) = 1.00162 - Viscosity (mPa s) = 1.04677 + Viscosity (mPa s) = 1.04868 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.010e-02 Mass of water (kg) = 1.000e+00 @@ -5047,7 +5020,6 @@ Na 2.529e-04 NaHCO3 8.578e-07 8.618e-07 -6.067 -6.065 0.002 31.79 NaSO4- 3.174e-07 2.875e-07 -6.498 -6.541 -0.043 -16.38 NaF 1.175e-09 1.178e-09 -8.930 -8.929 0.001 6.99 - NaOH 1.217e-21 1.219e-21 -20.915 -20.914 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.518 -44.517 0.001 29.84 S(6) 1.581e-04 @@ -5128,10 +5100,10 @@ Initial solution 29. 02N-06E-32 CBC 1 pH = 6.700 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 928 + Specific Conductance (µS/cm, 18°C) = 926 Density (g/cm³) = 0.99947 Volume (L) = 1.00168 - Viscosity (mPa s) = 1.06846 + Viscosity (mPa s) = 1.07402 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.812e-02 Mass of water (kg) = 1.000e+00 @@ -5227,7 +5199,6 @@ Na 3.470e-04 NaHCO3 1.978e-06 1.994e-06 -5.704 -5.700 0.004 31.79 NaSO4- 1.172e-06 1.034e-06 -5.931 -5.986 -0.055 -14.45 NaF 1.447e-09 1.453e-09 -8.840 -8.838 0.002 6.96 - NaOH 8.564e-22 8.600e-22 -21.067 -21.066 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.762 -45.760 0.002 29.77 S(6) 5.269e-04 @@ -5310,7 +5281,7 @@ Initial solution 30. 02N-06E-34 CCD 1 Byrds Mill Spring Specific Conductance (µS/cm, 18°C) = 528 Density (g/cm³) = 0.99900 Volume (L) = 1.00158 - Viscosity (mPa s) = 1.05199 + Viscosity (mPa s) = 1.05370 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.006e-02 Mass of water (kg) = 1.000e+00 @@ -5404,7 +5375,6 @@ Na 1.828e-04 NaHCO3 6.868e-07 6.900e-07 -6.163 -6.161 0.002 31.79 NaSO4- 1.241e-07 1.125e-07 -6.906 -6.949 -0.043 -16.44 NaF 4.243e-10 4.252e-10 -9.372 -9.371 0.001 6.98 - NaOH 1.223e-21 1.225e-21 -20.913 -20.912 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.987 -43.986 0.001 29.82 S(6) 8.540e-05 @@ -5483,10 +5453,10 @@ Initial solution 31. 01S-02E-01 DCB 1 Harrison, Nace pH = 6.500 pe = 4.000 - Specific Conductance (µS/cm, 33°C) = 143126 + Specific Conductance (µS/cm, 33°C) = 143119 Density (g/cm³) = 1.05769 Volume (L) = 1.03617 - Viscosity (mPa s) = 0.89436 + Viscosity (mPa s) = 0.89442 Activity of water = 0.946 Ionic strength (mol/kgw) = 1.810e+00 Mass of water (kg) = 1.000e+00 @@ -5574,7 +5544,6 @@ Na 1.301e+00 NaHCO3 6.619e-04 1.524e-03 -3.179 -2.817 0.362 31.64 NaSO4- 1.348e-04 8.462e-05 -3.870 -4.073 -0.202 18.66 NaF 2.362e-06 3.583e-06 -5.627 -5.446 0.181 7.53 - NaOH 3.739e-18 5.673e-18 -17.427 -17.246 0.181 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.696 -41.515 0.181 30.98 S(6) 2.053e-04 @@ -5690,7 +5659,6 @@ Mg 2.000e-05 Na 6.000e-05 Na+ 5.990e-05 5.832e-05 -4.223 -4.234 -0.012 -1.97 NaSO4- 1.037e-07 1.010e-07 -6.984 -6.996 -0.012 -23.69 - NaOH 1.619e-24 1.619e-24 -23.791 -23.791 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.947 -69.947 0.000 29.71 S(6) 1.300e-04 @@ -5858,7 +5826,7 @@ O2(g) -15.00 -17.83 -2.83 1.000e+01 1.000e+01 -1.403e-13 Specific Conductance (µS/cm, 17°C) = 399 Density (g/cm³) = 0.99911 Volume (L) = 1.00129 - Viscosity (mPa s) = 1.08346 + Viscosity (mPa s) = 1.08469 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.565e-03 Mass of water (kg) = 1.000e+00 @@ -5919,7 +5887,6 @@ Na 6.000e-05 Na+ 5.977e-05 5.469e-05 -4.224 -4.262 -0.039 -1.87 NaHCO3 1.621e-07 1.627e-07 -6.790 -6.789 0.002 31.80 NaSO4- 6.834e-08 6.264e-08 -7.165 -7.203 -0.038 -17.63 - NaOH 3.737e-22 3.744e-22 -21.427 -21.427 0.001 (0) O(0) 2.956e-18 O2 1.478e-18 1.480e-18 -17.830 -17.830 0.001 29.71 S(-2) 0.000e+00 diff --git a/mytest/netpathxl_101.sel b/mytest/netpathxl_101.sel index 18f994c24..35dc588e9 100644 --- a/mytest/netpathxl_101.sel +++ b/mytest/netpathxl_101.sel @@ -1,35 +1,35 @@ Mu SC - 0.009868914838 546.4191344942 - 0.013795611557 774.9914858976 - 0.010882867375 578.2920037259 - 0.010234759010 522.3027514670 - 0.014378350087 751.9367929782 - 0.017521659697 1256.4749665189 - 0.010228299701 508.6753660726 - 0.010528080124 566.5365430609 - 0.010830570588 548.4057529978 - 0.009400049429 502.4242295875 - 0.010383587177 554.5152046400 - 0.010103905489 544.1754843130 - 0.010126296347 550.9919206255 - 0.010169224988 528.4219709523 - 0.025496119670 2071.7533503945 - 0.012501575818 672.4251791145 - 0.011626839267 653.5405276011 - 0.012612057638 715.9850341504 - 0.010431140123 546.4700400775 - 0.010015816078 532.1582939088 - 0.009794188858 525.7540000243 - 0.006215463336 347.2958538263 - 0.010223648360 589.9773678903 - 0.009299211235 502.1143535459 - 0.008066120432 414.9546221483 - 0.009198281528 490.7936580567 - 0.010534086076 569.9023358724 - 0.010103975529 543.9018050904 - 0.018115711289 928.9413341561 - 0.010055564885 528.9169077633 - 1.810446335599 143126.5295267426 + 0.009868914838 545.7036911643 + 0.013795611557 774.1395682330 + 0.010882867375 577.5629642737 + 0.010234759010 521.8024443987 + 0.014378350087 750.0482143308 + 0.017521659697 1256.1713442880 + 0.010228299701 508.0792516716 + 0.010528080124 566.0141785788 + 0.010830570588 547.7575681565 + 0.009400049429 502.0915207409 + 0.010383587177 553.5639471635 + 0.010103905489 543.3834560590 + 0.010126296347 549.9702308207 + 0.010169224988 527.9440121732 + 0.025496119670 2071.3341252904 + 0.012501575818 671.5593067897 + 0.011626839267 652.4491012511 + 0.012612057638 714.8875951443 + 0.010431140123 545.4610654879 + 0.010015816078 531.3514643422 + 0.009794188858 525.1132821075 + 0.006215463336 347.1215666949 + 0.010223648360 589.1466441776 + 0.009299211235 501.6279288523 + 0.008066120432 414.5935829817 + 0.009198281528 490.3523148604 + 0.010534086076 568.9069249584 + 0.010103975529 543.3178088438 + 0.018115711289 926.2904429455 + 0.010055564885 528.4336815745 + 1.810446335599 143119.2236087943 0.000570887315 38.6353214035 - 0.000001001219 0.3935273244 - 0.007564800708 399.8177030842 + 0.000001001219 0.3935262264 + 0.007564800708 399.5521059882 diff --git a/mytest/np.test.out b/mytest/np.test.out index 9a0e987de..7d263cc40 100644 --- a/mytest/np.test.out +++ b/mytest/np.test.out @@ -83,7 +83,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 38 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89038 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.855e-04 Mass of water (kg) = 1.000e+00 @@ -142,7 +142,6 @@ Na 1.340e-04 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 - NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40 S(6) 1.000e-05 @@ -213,7 +212,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 97 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 @@ -272,7 +271,6 @@ Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 - NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40 S(6) 2.500e-05 @@ -669,7 +667,7 @@ Initial solution 1. Inflow Specific Conductance (µS/cm, 25°C) = 1725 Density (g/cm³) = 0.99791 Volume (L) = 1.00324 - Viscosity (mPa s) = 0.89721 + Viscosity (mPa s) = 0.89725 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.988e-02 Mass of water (kg) = 1.000e+00 @@ -728,7 +726,6 @@ Na 9.449e-03 Na+ 9.367e-03 8.180e-03 -2.028 -2.087 -0.059 -1.32 NaSO4- 4.649e-05 4.074e-05 -4.333 -4.390 -0.057 -12.68 NaHCO3 3.519e-05 3.552e-05 -4.454 -4.450 0.004 31.73 - NaOH 1.037e-18 1.042e-18 -17.984 -17.982 0.002 (0) O(0) 4.155e-38 O2 2.078e-38 2.087e-38 -37.682 -37.680 0.002 30.40 S(6) 6.980e-04 @@ -859,7 +856,6 @@ Na 5.429e+00 Na+ 5.176e+00 9.322e+00 0.714 0.969 0.256 1.41 NaSO4- 2.528e-01 1.480e-01 -0.597 -0.830 -0.233 34.59 NaHCO3 7.476e-05 1.650e-03 -4.126 -2.782 1.344 31.73 - NaOH 5.060e-17 2.377e-16 -16.296 -15.624 0.672 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -40.949 -40.277 0.672 30.40 S(6) 2.914e-01 @@ -950,11 +946,11 @@ Solution 2: Lake Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 1.665e-01 + 0.000e+00 = 1.665e-01 - Mg 4.919e-01 + -1.058e-14 = 4.919e-01 + Mg 4.919e-01 + 0.000e+00 = 4.919e-01 Na 5.429e+00 + -2.714e-01 = 5.157e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + 2.431e-14 = 2.914e-01 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 Si 5.000e-04 + 0.000e+00 = 5.000e-04 Solution fractions: Minimum Maximum @@ -1020,7 +1016,7 @@ Solution 2: Lake Na 5.429e+00 + 1.734e-01 = 5.602e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + 1.551e-14 = 2.914e-01 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 Si 5.000e-04 + 0.000e+00 = 5.000e-04 Solution fractions: Minimum Maximum @@ -1084,10 +1080,10 @@ Solution 2: Lake H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 1.665e-01 + 0.000e+00 = 1.665e-01 Mg 4.919e-01 + -2.460e-02 = 4.673e-01 - Na 5.429e+00 + -6.006e-14 = 5.429e+00 + Na 5.429e+00 + 0.000e+00 = 5.429e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + 3.531e-14 = 2.914e-01 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 Si 5.000e-04 + 0.000e+00 = 5.000e-04 Solution fractions: Minimum Maximum @@ -1096,14 +1092,14 @@ Solution fractions: Minimum Maximum Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) Halite -1.179e+00 0.000e+00 0.000e+00 NaCl ( -4.18, 1.53) - Aragonite -4.650e+00 0.000e+00 0.000e+00 CaCO3 ( 0.77, -0.05) + CO2(g) -4.650e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) Mirabilite -2.484e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) - H2O(g) -4.286e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) - Anorthite 3.348e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + H2O(g) -4.287e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite -1.302e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) Chalcedony -9.245e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) Montmorillonite -1.046e+01 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) Montmorillonite 1.438e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) - Kaolinite -6.950e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Kaolinite -2.300e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) Sepiolite -1.673e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) Redox mole transfers: @@ -1114,6 +1110,73 @@ Maximum fractional error in element concentration: 5.000e-02 =============================================================================== +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + -2.478e-04 = 5.819e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -2.912e-04 = 9.158e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 3.287e-04 = 6.903e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + -5.608e-04 = 1.066e-02 + Cl 5.835e+00 + 2.917e-01 = 6.126e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + -8.324e-03 = 1.582e-01 + Mg 4.919e-01 + -2.460e-02 = 4.673e-01 + Na 5.429e+00 + 1.734e-01 = 5.602e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 6.635e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + CO2(g) -3.988e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) + Mirabilite -1.717e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -3.677e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite -1.116e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + Chalcedony -7.112e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -8.028e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 1.104e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -1.649e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.345e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 9.566e+02 +Sum of delta/uncertainty limit: 7.072e+00 +Maximum fractional error in element concentration: 5.000e-02 + +Model contains minimum number of phases. +=============================================================================== + + Solution 1: Inflow Input Delta Input+Delta @@ -1219,7 +1282,7 @@ Solution 2: Lake Na 5.429e+00 + 1.734e-01 = 5.602e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + -6.320e-13 = 2.914e-01 + S(6) 2.914e-01 + 3.271e-13 = 2.914e-01 Si 5.000e-04 + 0.000e+00 = 5.000e-04 Solution fractions: Minimum Maximum @@ -1282,11 +1345,11 @@ Solution 2: Lake Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 1.665e-01 + 0.000e+00 = 1.665e-01 - Mg 4.919e-01 + -1.058e-14 = 4.919e-01 + Mg 4.919e-01 + 0.000e+00 = 4.919e-01 Na 5.429e+00 + -2.714e-01 = 5.157e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + 2.429e-14 = 2.914e-01 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 Si 5.000e-04 + 0.000e+00 = 5.000e-04 Solution fractions: Minimum Maximum @@ -1313,73 +1376,6 @@ Maximum fractional error in element concentration: 5.000e-02 =============================================================================== -Solution 1: Inflow - - Input Delta Input+Delta - pH 8.100e+00 + 0.000e+00 = 8.100e+00 - Al 0.000e+00 + 0.000e+00 = 0.000e+00 - Alkalinity 6.067e-03 + -2.478e-04 = 5.819e-03 - C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 - Ca 1.698e-03 + 0.000e+00 = 1.698e-03 - Cl 9.234e-03 + 0.000e+00 = 9.234e-03 - Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 - Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - K 4.350e-04 + 0.000e+00 = 4.350e-04 - Mg 1.730e-03 + 0.000e+00 = 1.730e-03 - Na 9.449e-03 + -2.912e-04 = 9.158e-03 - O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 - Si 5.000e-04 + 0.000e+00 = 5.000e-04 - -Solution 2: Lake - - Input Delta Input+Delta - pH 7.500e+00 + 0.000e+00 = 7.500e+00 - Al 0.000e+00 + 0.000e+00 = 0.000e+00 - Alkalinity 6.575e-03 + 3.287e-04 = 6.903e-03 - C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 - Ca 1.122e-02 + -5.608e-04 = 1.066e-02 - Cl 5.835e+00 + 2.917e-01 = 6.126e+00 - Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 - Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - K 1.665e-01 + -8.324e-03 = 1.582e-01 - Mg 4.919e-01 + -2.460e-02 = 4.673e-01 - Na 5.429e+00 + 1.734e-01 = 5.602e+00 - O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + 3.021e-14 = 2.914e-01 - Si 5.000e-04 + 0.000e+00 = 5.000e-04 - -Solution fractions: Minimum Maximum - Solution 1 6.635e+02 0.000e+00 0.000e+00 - Solution 2 1.000e+00 0.000e+00 0.000e+00 - -Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) - CO2(g) -3.988e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) - Mirabilite -1.717e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) - H2O(g) -3.677e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) - Anorthite -1.116e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) - Chalcedony -7.112e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) -Montmorillonite -8.028e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) -Montmorillonite 1.104e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) - Kaolinite -1.649e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) - Sepiolite -1.345e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) - -Redox mole transfers: - -Sum of residuals (epsilons in documentation): 9.566e+02 -Sum of delta/uncertainty limit: 7.072e+00 -Maximum fractional error in element concentration: 5.000e-02 - -Model contains minimum number of phases. -=============================================================================== - - Solution 1: Inflow Input Delta Input+Delta @@ -1419,7 +1415,7 @@ Solution 2: Lake Na 5.429e+00 + 0.000e+00 = 5.429e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + 5.264e-14 = 2.914e-01 + S(6) 2.914e-01 + 5.269e-14 = 2.914e-01 Si 5.000e-04 + 0.000e+00 = 5.000e-04 Solution fractions: Minimum Maximum @@ -1482,10 +1478,10 @@ Solution 2: Lake H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 1.665e-01 + 0.000e+00 = 1.665e-01 Mg 4.919e-01 + -2.460e-02 = 4.673e-01 - Na 5.429e+00 + -6.029e-14 = 5.429e+00 + Na 5.429e+00 + 0.000e+00 = 5.429e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 2.914e-01 + 3.529e-14 = 2.914e-01 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 Si 5.000e-04 + 0.000e+00 = 5.000e-04 Solution fractions: Minimum Maximum @@ -1494,14 +1490,14 @@ Solution fractions: Minimum Maximum Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) Halite -1.179e+00 0.000e+00 0.000e+00 NaCl ( -4.18, 1.53) - CO2(g) -4.650e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) + Aragonite -4.650e+00 0.000e+00 0.000e+00 CaCO3 ( 0.77, -0.05) Mirabilite -2.484e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) - H2O(g) -4.287e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) - Anorthite -1.302e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + H2O(g) -4.286e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite 3.348e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) Chalcedony -9.245e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) Montmorillonite -1.046e+01 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) Montmorillonite 1.438e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) - Kaolinite -2.300e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Kaolinite -6.950e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) Sepiolite -1.673e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) Redox mole transfers: @@ -1516,8 +1512,8 @@ Summary of inverse modeling: Number of models found: 9 Number of minimal models found: 3 - Number of infeasible sets of phases saved: 25 - Number of calls to cl1: 46 + Number of infeasible sets of phases saved: 28 + Number of calls to cl1: 49 ------------------ End of simulation. ------------------ @@ -1628,7 +1624,7 @@ Initial solution 1. Specific Conductance (µS/cm, 17°C) = 263 Density (g/cm³) = 0.99899 Volume (L) = 1.00128 - Viscosity (mPa s) = 1.08246 + Viscosity (mPa s) = 1.08272 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.898e-03 Mass of water (kg) = 1.000e+00 @@ -1679,7 +1675,6 @@ Na 1.653e-04 Na+ 1.647e-04 1.531e-04 -3.783 -3.815 -0.032 -1.90 NaSO4- 3.178e-07 2.957e-07 -6.498 -6.529 -0.031 -18.92 NaHCO3 2.818e-07 2.825e-07 -6.550 -6.549 0.001 31.80 - NaOH 3.264e-21 3.268e-21 -20.486 -20.486 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.405 -42.404 0.000 29.71 S(6) 1.978e-04 @@ -1734,7 +1729,7 @@ Initial solution 2. Specific Conductance (µS/cm, 19°C) = 503 Density (g/cm³) = 0.99879 Volume (L) = 1.00173 - Viscosity (mPa s) = 1.02986 + Viscosity (mPa s) = 1.02994 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.635e-03 Mass of water (kg) = 1.000e+00 @@ -1785,7 +1780,6 @@ Na 6.093e-03 Na+ 6.063e-03 5.573e-03 -2.217 -2.254 -0.037 -1.75 NaHCO3 2.180e-05 2.186e-05 -4.662 -4.660 0.001 31.78 NaSO4- 8.363e-06 7.701e-06 -5.078 -5.113 -0.036 -17.58 - NaOH 8.826e-19 8.839e-19 -18.054 -18.054 0.001 (0) O(0) 6.182e-39 O2 3.091e-39 3.096e-39 -38.510 -38.509 0.001 29.89 S(6) 1.354e-04 @@ -2103,7 +2097,7 @@ Initial solution 1. Site 404, background Specific Conductance (µS/cm, 19°C) = 358 Density (g/cm³) = 0.99870 Volume (L) = 1.00170 - Viscosity (mPa s) = 1.02952 + Viscosity (mPa s) = 1.02979 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.846e-03 Mass of water (kg) = 1.000e+00 @@ -2180,7 +2174,6 @@ Na 1.175e-03 Na+ 1.170e-03 1.081e-03 -2.932 -2.966 -0.035 -1.76 NaHCO3 2.679e-06 2.686e-06 -5.572 -5.571 0.001 31.78 NaSO4- 2.118e-06 1.959e-06 -5.674 -5.708 -0.034 -17.96 - NaOH 3.044e-20 3.048e-20 -19.517 -19.516 0.001 (0) O(0) 3.689e-04 O2 1.844e-04 1.847e-04 -3.734 -3.734 0.001 29.89 S(6) 1.874e-04 @@ -2257,10 +2250,10 @@ Initial solution 2. Site 51, plume pH = 3.740 pe = 7.267 - Specific Conductance (µS/cm, 18°C) = 9230 + Specific Conductance (µS/cm, 18°C) = 9229 Density (g/cm³) = 1.01122 Volume (L) = 1.00259 - Viscosity (mPa s) = 1.08069 + Viscosity (mPa s) = 1.08169 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.026e-01 Mass of water (kg) = 1.000e+00 @@ -2376,7 +2369,6 @@ Na 9.261e-03 Na+ 7.691e-03 5.766e-03 -2.114 -2.239 -0.125 -1.31 NaSO4- 1.570e-03 1.176e-03 -2.804 -2.930 -0.125 -2.01 NaHCO3 3.556e-08 3.903e-08 -7.449 -7.409 0.041 31.79 - NaOH 1.756e-23 1.840e-23 -22.756 -22.735 0.020 (0) O(0) 3.168e-05 O2 1.584e-05 1.660e-05 -4.800 -4.780 0.020 29.80 S(6) 9.287e-02 @@ -2474,10 +2466,10 @@ Initial solution 3. Site 402, final water pH = 4.270 pe = 7.267 - Specific Conductance (µS/cm, 18°C) = 4392 + Specific Conductance (µS/cm, 18°C) = 4391 Density (g/cm³) = 1.00337 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.06979 + Viscosity (mPa s) = 1.07085 Activity of water = 0.999 Ionic strength (mol/kgw) = 8.801e-02 Mass of water (kg) = 1.000e+00 @@ -2593,7 +2585,6 @@ Na 4.810e-03 Na+ 4.271e-03 3.393e-03 -2.369 -2.469 -0.100 -1.51 NaSO4- 5.390e-04 4.306e-04 -3.268 -3.366 -0.097 -7.09 NaHCO3 8.134e-08 8.470e-08 -7.090 -7.072 0.018 31.79 - NaOH 3.600e-23 3.674e-23 -22.444 -22.435 0.009 (0) O(0) 3.770e-05 O2 1.885e-05 1.924e-05 -4.725 -4.716 0.009 29.80 S(6) 3.453e-02 @@ -2690,10 +2681,10 @@ Solution 2: Site 51, plume Fe(2) 5.083e-02 + -1.064e-03 = 4.976e-02 Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - Mg 1.626e-02 + -2.529e-14 = 1.626e-02 + Mg 1.626e-02 + -1.959e-14 = 1.626e-02 Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 9.261e-03 + 2.284e-14 = 9.261e-03 + Na 9.261e-03 + 4.096e-14 = 9.261e-03 O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 @@ -3406,27 +3397,28 @@ Solution 3: Site 402, final water Si 1.606e-03 + 0.000e+00 = 1.606e-03 Solution fractions: Minimum Maximum - Solution 1 3.865e-01 0.000e+00 0.000e+00 - Solution 2 4.704e-01 0.000e+00 0.000e+00 + Solution 1 5.508e-01 0.000e+00 0.000e+00 + Solution 2 4.495e-01 0.000e+00 0.000e+00 Solution 3 1.000e+00 0.000e+00 0.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) - Calcite 1.854e-02 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) - CO2(g) -1.734e-02 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) - Gypsum -1.062e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) - O2(g) 3.223e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite 1.596e+01 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) - Goethite -1.369e-02 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) - MnOOH 5.560e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite -7.981e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony 1.596e+01 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Calcite 1.636e-02 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) + CO2(g) -1.621e-02 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + Gypsum -8.620e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + O2(g) 2.927e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite 2.747e-02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Goethite -1.265e-02 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) + Dolomite 2.510e-04 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + MnOOH 5.845e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite -1.566e-02 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 3.188e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: - Fe(3) -1.369e-02 - Mn(3) 5.560e-04 - O(0) 6.566e-03 + Fe(3) -1.265e-02 + Mn(3) 5.845e-04 + O(0) 6.033e-03 -Sum of residuals (epsilons in documentation): 1.396e+00 +Sum of residuals (epsilons in documentation): 1.483e+00 Sum of delta/uncertainty limit: 2.582e+00 Maximum fractional error in element concentration: 5.000e-02 =============================================================================== @@ -3437,14 +3429,14 @@ Solution 1: Site 404, background Input Delta Input+Delta pH 7.650e+00 + 0.000e+00 = 7.650e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00 - Alkalinity 3.738e-03 + 1.323e-04 = 3.870e-03 + Alkalinity 3.738e-03 + 7.879e-05 = 3.817e-03 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 3.903e-03 + 0.000e+00 = 3.903e-03 Ca 9.984e-04 + 0.000e+00 = 9.984e-04 Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - Mg 5.349e-04 + 0.000e+00 = 5.349e-04 + Mg 5.349e-04 + -2.675e-05 = 5.082e-04 Mn(2) 1.821e-06 + 0.000e+00 = 1.821e-06 Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 Na 1.175e-03 + 0.000e+00 = 1.175e-03 @@ -3496,29 +3488,29 @@ Solution 3: Site 402, final water Si 1.606e-03 + 0.000e+00 = 1.606e-03 Solution fractions: Minimum Maximum - Solution 1 6.393e-01 0.000e+00 0.000e+00 + Solution 1 6.392e-01 0.000e+00 0.000e+00 Solution 2 3.610e-01 0.000e+00 0.000e+00 Solution 3 1.000e+00 0.000e+00 0.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) - Calcite 7.245e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) - CO2(g) -9.856e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) - Albite 7.162e-04 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) + Calcite 7.228e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) + CO2(g) -9.873e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + Albite 7.163e-04 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) O2(g) 1.780e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite -4.238e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Gibbsite 8.235e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -8.243e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) - Dolomite 1.644e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + Dolomite 1.661e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) MnOOH 7.070e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 2.520e-04 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -1.996e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Kaolinite -5.985e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 1.048e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -8.244e-03 Mn(3) 7.070e-04 O(0) 3.769e-03 -Sum of residuals (epsilons in documentation): 1.420e+00 -Sum of delta/uncertainty limit: 2.582e+00 +Sum of residuals (epsilons in documentation): 5.973e-01 +Sum of delta/uncertainty limit: 3.295e+00 Maximum fractional error in element concentration: 5.000e-02 =============================================================================== @@ -3563,7 +3555,7 @@ Solution 2: Site 51, plume O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 - Si 1.687e-03 + -1.029e-14 = 1.687e-03 + Si 1.687e-03 + -1.030e-14 = 1.687e-03 Solution 3: Site 402, final water @@ -3622,19 +3614,19 @@ Solution 1: Site 404, background Al 0.000e+00 + 0.000e+00 = 0.000e+00 Alkalinity 3.738e-03 + 1.323e-04 = 3.870e-03 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 3.903e-03 + 3.879e-05 = 3.942e-03 - Ca 9.984e-04 + 5.601e-11 = 9.984e-04 + C(4) 3.903e-03 + 0.000e+00 = 3.903e-03 + Ca 9.984e-04 + 0.000e+00 = 9.984e-04 Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - Mg 5.349e-04 + 2.152e-10 = 5.349e-04 - Mn(2) 1.821e-06 + 1.207e-13 = 1.821e-06 + Mg 5.349e-04 + 0.000e+00 = 5.349e-04 + Mn(2) 1.821e-06 + 0.000e+00 = 1.821e-06 Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 1.175e-03 + -1.739e-10 = 1.175e-03 - O(0) 3.689e-04 + -2.397e-11 = 3.689e-04 + Na 1.175e-03 + 0.000e+00 = 1.175e-03 + O(0) 3.689e-04 + 0.000e+00 = 3.689e-04 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 1.874e-04 + -6.015e-12 = 1.874e-04 - Si 5.328e-04 + 2.202e-05 = 5.548e-04 + S(6) 1.874e-04 + 0.000e+00 = 1.874e-04 + Si 5.328e-04 + 0.000e+00 = 5.328e-04 Solution 2: Site 51, plume @@ -3651,7 +3643,7 @@ Solution 2: Site 51, plume Mg 1.626e-02 + 0.000e+00 = 1.626e-02 Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 9.261e-03 + -1.991e-14 = 9.261e-03 + Na 9.261e-03 + 0.000e+00 = 9.261e-03 O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 @@ -3679,35 +3671,54 @@ Solution 3: Site 402, final water Si 1.606e-03 + 0.000e+00 = 1.606e-03 Solution fractions: Minimum Maximum - Solution 1 4.053e-10 0.000e+00 0.000e+00 - Solution 2 2.504e-01 0.000e+00 0.000e+00 + Solution 1 7.760e-01 0.000e+00 0.000e+00 + Solution 2 2.237e-01 0.000e+00 0.000e+00 Solution 3 1.000e+00 0.000e+00 0.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) - Calcite -3.930e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) - Gypsum 1.090e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) - Albite 2.491e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) - O2(g) 4.849e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite 8.320e+01 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) - Goethite -2.740e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) - Dolomite 3.784e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) - MnOOH 8.612e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite -4.160e+01 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony 8.319e+01 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Calcite -6.884e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) + Gypsum 1.336e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + Albite 1.827e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) + O2(g) 1.291e-06 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite -8.283e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Goethite -1.412e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) + Dolomite 3.803e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + MnOOH 8.967e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite 2.364e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony -9.393e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: - Fe(3) -2.741e-03 - Mn(3) 8.612e-04 - O(0) 9.401e-04 + Fe(3) -1.413e-03 + Mn(3) 8.967e-04 + O(0) 2.582e-04 -Sum of residuals (epsilons in documentation): 8.102e-01 -Sum of delta/uncertainty limit: 3.607e+00 +Sum of residuals (epsilons in documentation): 1.322e+00 +Sum of delta/uncertainty limit: 2.582e+00 Maximum fractional error in element concentration: 5.000e-02 - -Model contains minimum number of phases. =============================================================================== +Solution 1: Site 404, background + + Input Delta Input+Delta + pH 7.650e+00 + 0.000e+00 = 7.650e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 3.738e-03 + 1.323e-04 = 3.870e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 3.903e-03 + 0.000e+00 = 3.903e-03 + Ca 9.984e-04 + 0.000e+00 = 9.984e-04 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 5.349e-04 + 0.000e+00 = 5.349e-04 + Mn(2) 1.821e-06 + 0.000e+00 = 1.821e-06 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 1.175e-03 + 0.000e+00 = 1.175e-03 + O(0) 3.689e-04 + 0.000e+00 = 3.689e-04 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 1.874e-04 + 0.000e+00 = 1.874e-04 + Si 5.328e-04 + 0.000e+00 = 5.328e-04 + Solution 2: Site 51, plume Input Delta Input+Delta @@ -3720,7 +3731,7 @@ Solution 2: Site 51, plume Fe(2) 5.083e-02 + -1.064e-03 = 4.976e-02 Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - Mg 1.626e-02 + -1.158e-14 = 1.626e-02 + Mg 1.626e-02 + 0.000e+00 = 1.626e-02 Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 Na 9.261e-03 + 0.000e+00 = 9.261e-03 @@ -3751,29 +3762,119 @@ Solution 3: Site 402, final water Si 1.606e-03 + 0.000e+00 = 1.606e-03 Solution fractions: Minimum Maximum - Solution 1 0.000e+00 0.000e+00 0.000e+00 - Solution 2 2.887e-01 0.000e+00 0.000e+00 + Solution 1 7.095e-01 0.000e+00 0.000e+00 + Solution 2 2.906e-01 0.000e+00 0.000e+00 Solution 3 1.000e+00 0.000e+00 0.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) - CO2(g) -2.846e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) - Gypsum 7.170e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) - Albite 2.137e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) - O2(g) 9.739e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite 7.896e+01 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) - Goethite -4.645e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) - Dolomite 3.162e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) - MnOOH 8.082e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite -3.948e+01 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony 7.896e+01 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + CO2(g) -4.802e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + Gypsum 6.851e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + Albite 1.286e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) + O2(g) 8.677e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite -1.988e-02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Goethite -4.740e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) + Dolomite 2.751e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + MnOOH 8.043e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite 8.120e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony -1.936e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: - Fe(3) -4.647e-03 - Mn(3) 8.082e-04 - O(0) 1.919e-03 + Fe(3) -4.742e-03 + Mn(3) 8.043e-04 + O(0) 1.969e-03 -Sum of residuals (epsilons in documentation): 8.645e-01 -Sum of delta/uncertainty limit: 1.874e+00 +Sum of residuals (epsilons in documentation): 3.650e-01 +Sum of delta/uncertainty limit: 2.582e+00 +Maximum fractional error in element concentration: 5.000e-02 +=============================================================================== + + +Solution 1: Site 404, background + + Input Delta Input+Delta + pH 7.650e+00 + 0.000e+00 = 7.650e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 3.738e-03 + 1.323e-04 = 3.870e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 3.903e-03 + 0.000e+00 = 3.903e-03 + Ca 9.984e-04 + 0.000e+00 = 9.984e-04 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 5.349e-04 + 0.000e+00 = 5.349e-04 + Mn(2) 1.821e-06 + 0.000e+00 = 1.821e-06 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 1.175e-03 + 0.000e+00 = 1.175e-03 + O(0) 3.689e-04 + 0.000e+00 = 3.689e-04 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 1.874e-04 + 0.000e+00 = 1.874e-04 + Si 5.328e-04 + 0.000e+00 = 5.328e-04 + +Solution 2: Site 51, plume + + Input Delta Input+Delta + pH 3.740e+00 + 0.000e+00 = 3.740e+00 + Al 9.394e-03 + 0.000e+00 = 9.394e-03 + Alkalinity -5.078e-04 + 0.000e+00 = -5.078e-04 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.220e-03 + 0.000e+00 = 4.220e-03 + Ca 1.113e-02 + 0.000e+00 = 1.113e-02 + Fe(2) 5.083e-02 + -1.064e-03 = 4.976e-02 + Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 1.626e-02 + 0.000e+00 = 1.626e-02 + Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 9.261e-03 + 0.000e+00 = 9.261e-03 + O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 + Si 1.687e-03 + 0.000e+00 = 1.687e-03 + +Solution 3: Site 402, final water + + Input Delta Input+Delta + pH 4.270e+00 + 0.000e+00 = 4.270e+00 + Al 3.726e-04 + 0.000e+00 = 3.726e-04 + Alkalinity -5.562e-05 + 0.000e+00 = -5.562e-05 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.695e-03 + 0.000e+00 = 4.695e-03 + Ca 1.354e-02 + 0.000e+00 = 1.354e-02 + Fe(2) 9.718e-03 + 0.000e+00 = 9.718e-03 + Fe(3) 2.476e-06 + 0.000e+00 = 2.476e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 7.857e-03 + 0.000e+00 = 7.857e-03 + Mn(2) 1.208e-03 + 0.000e+00 = 1.208e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 4.810e-03 + 0.000e+00 = 4.810e-03 + O(0) 3.770e-05 + 0.000e+00 = 3.770e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 3.453e-02 + 7.855e-04 = 3.532e-02 + Si 1.606e-03 + 0.000e+00 = 1.606e-03 + +Solution fractions: Minimum Maximum + Solution 1 1.781e+00 0.000e+00 0.000e+00 + Solution 2 2.935e-01 0.000e+00 0.000e+00 + Solution 3 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) + CO2(g) -7.756e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + Gypsum 6.369e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + O2(g) 7.074e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite -1.193e+02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Goethite -4.884e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) + Dolomite 2.131e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + MnOOH 7.983e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite 5.965e+01 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony -1.193e+02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + +Redox mole transfers: + Fe(3) -4.885e-03 + Mn(3) 7.983e-04 + O(0) 2.043e-03 + +Sum of residuals (epsilons in documentation): 2.132e+00 +Sum of delta/uncertainty limit: 2.582e+00 Maximum fractional error in element concentration: 5.000e-02 Model contains minimum number of phases. @@ -4504,6 +4605,96 @@ Maximum fractional error in element concentration: 5.000e-02 =============================================================================== +Solution 1: Site 404, background + + Input Delta Input+Delta + pH 7.650e+00 + 0.000e+00 = 7.650e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 3.738e-03 + 1.323e-04 = 3.870e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 3.903e-03 + 0.000e+00 = 3.903e-03 + Ca 9.984e-04 + 0.000e+00 = 9.984e-04 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 5.349e-04 + 0.000e+00 = 5.349e-04 + Mn(2) 1.821e-06 + 0.000e+00 = 1.821e-06 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 1.175e-03 + 0.000e+00 = 1.175e-03 + O(0) 3.689e-04 + 0.000e+00 = 3.689e-04 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 1.874e-04 + 0.000e+00 = 1.874e-04 + Si 5.328e-04 + 0.000e+00 = 5.328e-04 + +Solution 2: Site 51, plume + + Input Delta Input+Delta + pH 3.740e+00 + 0.000e+00 = 3.740e+00 + Al 9.394e-03 + 0.000e+00 = 9.394e-03 + Alkalinity -5.078e-04 + 0.000e+00 = -5.078e-04 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.220e-03 + 0.000e+00 = 4.220e-03 + Ca 1.113e-02 + 0.000e+00 = 1.113e-02 + Fe(2) 5.083e-02 + -1.064e-03 = 4.976e-02 + Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 1.626e-02 + 0.000e+00 = 1.626e-02 + Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 9.261e-03 + 0.000e+00 = 9.261e-03 + O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 + Si 1.687e-03 + 0.000e+00 = 1.687e-03 + +Solution 3: Site 402, final water + + Input Delta Input+Delta + pH 4.270e+00 + 0.000e+00 = 4.270e+00 + Al 3.726e-04 + 0.000e+00 = 3.726e-04 + Alkalinity -5.562e-05 + 0.000e+00 = -5.562e-05 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.695e-03 + 0.000e+00 = 4.695e-03 + Ca 1.354e-02 + 0.000e+00 = 1.354e-02 + Fe(2) 9.718e-03 + 0.000e+00 = 9.718e-03 + Fe(3) 2.476e-06 + 0.000e+00 = 2.476e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 7.857e-03 + 0.000e+00 = 7.857e-03 + Mn(2) 1.208e-03 + 0.000e+00 = 1.208e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 4.810e-03 + 0.000e+00 = 4.810e-03 + O(0) 3.770e-05 + 0.000e+00 = 3.770e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 3.453e-02 + 7.855e-04 = 3.532e-02 + Si 1.606e-03 + 0.000e+00 = 1.606e-03 + +Solution fractions: Minimum Maximum + Solution 1 3.865e-01 0.000e+00 0.000e+00 + Solution 2 4.704e-01 0.000e+00 0.000e+00 + Solution 3 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) + Calcite 1.854e-02 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) + CO2(g) -1.734e-02 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + Gypsum -1.062e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + O2(g) 3.223e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite 1.596e+01 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Goethite -1.369e-02 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) + MnOOH 5.560e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite -7.981e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 1.596e+01 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + +Redox mole transfers: + Fe(3) -1.369e-02 + Mn(3) 5.560e-04 + O(0) 6.566e-03 + +Sum of residuals (epsilons in documentation): 1.396e+00 +Sum of delta/uncertainty limit: 2.582e+00 +Maximum fractional error in element concentration: 5.000e-02 +=============================================================================== + + Solution 1: Site 404, background Input Delta Input+Delta @@ -5681,98 +5872,6 @@ Maximum fractional error in element concentration: 5.000e-02 =============================================================================== -Solution 1: Site 404, background - - Input Delta Input+Delta - pH 7.650e+00 + 0.000e+00 = 7.650e+00 - Al 0.000e+00 + 0.000e+00 = 0.000e+00 - Alkalinity 3.738e-03 + 1.323e-04 = 3.870e-03 - C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 3.903e-03 + 0.000e+00 = 3.903e-03 - Ca 9.984e-04 + 0.000e+00 = 9.984e-04 - Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 - Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - Mg 5.349e-04 + 0.000e+00 = 5.349e-04 - Mn(2) 1.821e-06 + 0.000e+00 = 1.821e-06 - Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 1.175e-03 + 0.000e+00 = 1.175e-03 - O(0) 3.689e-04 + 0.000e+00 = 3.689e-04 - S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 1.874e-04 + 0.000e+00 = 1.874e-04 - Si 5.328e-04 + 0.000e+00 = 5.328e-04 - -Solution 2: Site 51, plume - - Input Delta Input+Delta - pH 3.740e+00 + 0.000e+00 = 3.740e+00 - Al 9.394e-03 + 0.000e+00 = 9.394e-03 - Alkalinity -5.078e-04 + 0.000e+00 = -5.078e-04 - C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 4.220e-03 + 0.000e+00 = 4.220e-03 - Ca 1.113e-02 + 0.000e+00 = 1.113e-02 - Fe(2) 5.083e-02 + -1.064e-03 = 4.976e-02 - Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 - H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - Mg 1.626e-02 + 0.000e+00 = 1.626e-02 - Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 - Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 9.261e-03 + 0.000e+00 = 9.261e-03 - O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 - S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 - Si 1.687e-03 + 0.000e+00 = 1.687e-03 - -Solution 3: Site 402, final water - - Input Delta Input+Delta - pH 4.270e+00 + 0.000e+00 = 4.270e+00 - Al 3.726e-04 + 0.000e+00 = 3.726e-04 - Alkalinity -5.562e-05 + 0.000e+00 = -5.562e-05 - C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 4.695e-03 + 0.000e+00 = 4.695e-03 - Ca 1.354e-02 + 0.000e+00 = 1.354e-02 - Fe(2) 9.718e-03 + 0.000e+00 = 9.718e-03 - Fe(3) 2.476e-06 + 0.000e+00 = 2.476e-06 - H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 - Mg 7.857e-03 + 0.000e+00 = 7.857e-03 - Mn(2) 1.208e-03 + 0.000e+00 = 1.208e-03 - Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 4.810e-03 + 0.000e+00 = 4.810e-03 - O(0) 3.770e-05 + 0.000e+00 = 3.770e-05 - S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 3.453e-02 + 7.855e-04 = 3.532e-02 - Si 1.606e-03 + 0.000e+00 = 1.606e-03 - -Solution fractions: Minimum Maximum - Solution 1 1.781e+00 0.000e+00 0.000e+00 - Solution 2 2.935e-01 0.000e+00 0.000e+00 - Solution 3 1.000e+00 0.000e+00 0.000e+00 - -Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) - CO2(g) -7.756e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) - Gypsum 6.369e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) - O2(g) 7.074e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite -1.193e+02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) - Goethite -4.884e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) - Dolomite 2.131e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) - MnOOH 7.983e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 5.965e+01 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -1.193e+02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) - -Redox mole transfers: - Fe(3) -4.885e-03 - Mn(3) 7.983e-04 - O(0) 2.043e-03 - -Sum of residuals (epsilons in documentation): 2.132e+00 -Sum of delta/uncertainty limit: 2.582e+00 -Maximum fractional error in element concentration: 5.000e-02 - -Model contains minimum number of phases. -=============================================================================== - - Solution 1: Site 404, background Input Delta Input+Delta @@ -6146,7 +6245,7 @@ Solution 2: Site 51, plume Mg 1.626e-02 + 0.000e+00 = 1.626e-02 Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 9.261e-03 + 4.619e-14 = 9.261e-03 + Na 9.261e-03 + 0.000e+00 = 9.261e-03 O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 @@ -6160,8 +6259,8 @@ Solution 3: Site 402, final water Alkalinity -5.562e-05 + 0.000e+00 = -5.562e-05 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 4.695e-03 + 0.000e+00 = 4.695e-03 - Ca 1.354e-02 + 2.182e-14 = 1.354e-02 - Fe(2) 9.718e-03 + 1.571e-14 = 9.718e-03 + Ca 1.354e-02 + 0.000e+00 = 1.354e-02 + Fe(2) 9.718e-03 + 1.570e-14 = 9.718e-03 Fe(3) 2.476e-06 + 0.000e+00 = 2.476e-06 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 Mg 7.857e-03 + 0.000e+00 = 7.857e-03 @@ -6203,12 +6302,156 @@ Model contains minimum number of phases. =============================================================================== +Solution 2: Site 51, plume + + Input Delta Input+Delta + pH 3.740e+00 + 0.000e+00 = 3.740e+00 + Al 9.394e-03 + 0.000e+00 = 9.394e-03 + Alkalinity -5.078e-04 + 0.000e+00 = -5.078e-04 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.220e-03 + 1.393e-14 = 4.220e-03 + Ca 1.113e-02 + 0.000e+00 = 1.113e-02 + Fe(2) 5.083e-02 + -1.064e-03 = 4.976e-02 + Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 1.626e-02 + 0.000e+00 = 1.626e-02 + Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 9.261e-03 + 0.000e+00 = 9.261e-03 + O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 + Si 1.687e-03 + 0.000e+00 = 1.687e-03 + +Solution 3: Site 402, final water + + Input Delta Input+Delta + pH 4.270e+00 + 0.000e+00 = 4.270e+00 + Al 3.726e-04 + 0.000e+00 = 3.726e-04 + Alkalinity -5.562e-05 + 0.000e+00 = -5.562e-05 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.695e-03 + 0.000e+00 = 4.695e-03 + Ca 1.354e-02 + 0.000e+00 = 1.354e-02 + Fe(2) 9.718e-03 + 0.000e+00 = 9.718e-03 + Fe(3) 2.476e-06 + 0.000e+00 = 2.476e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 7.857e-03 + 0.000e+00 = 7.857e-03 + Mn(2) 1.208e-03 + 0.000e+00 = 1.208e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 4.810e-03 + 0.000e+00 = 4.810e-03 + O(0) 3.770e-05 + 0.000e+00 = 3.770e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 3.453e-02 + 7.855e-04 = 3.532e-02 + Si 1.606e-03 + 0.000e+00 = 1.606e-03 + +Solution fractions: Minimum Maximum + Solution 1 0.000e+00 0.000e+00 0.000e+00 + Solution 2 2.504e-01 0.000e+00 0.000e+00 + Solution 3 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) + Calcite -3.930e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) + Gypsum 1.090e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + Albite 2.491e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) + O2(g) 4.849e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite 8.320e+01 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Goethite -2.740e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) + Dolomite 3.784e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + MnOOH 8.612e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite -4.160e+01 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 8.319e+01 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + +Redox mole transfers: + Fe(3) -2.741e-03 + Mn(3) 8.612e-04 + O(0) 9.401e-04 + +Sum of residuals (epsilons in documentation): 8.102e-01 +Sum of delta/uncertainty limit: 1.874e+00 +Maximum fractional error in element concentration: 5.000e-02 + +Model contains minimum number of phases. +=============================================================================== + + +Solution 2: Site 51, plume + + Input Delta Input+Delta + pH 3.740e+00 + 0.000e+00 = 3.740e+00 + Al 9.394e-03 + 0.000e+00 = 9.394e-03 + Alkalinity -5.078e-04 + 0.000e+00 = -5.078e-04 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.220e-03 + 0.000e+00 = 4.220e-03 + Ca 1.113e-02 + 0.000e+00 = 1.113e-02 + Fe(2) 5.083e-02 + -1.064e-03 = 4.976e-02 + Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 1.626e-02 + 0.000e+00 = 1.626e-02 + Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 9.261e-03 + 0.000e+00 = 9.261e-03 + O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 + Si 1.687e-03 + 0.000e+00 = 1.687e-03 + +Solution 3: Site 402, final water + + Input Delta Input+Delta + pH 4.270e+00 + 0.000e+00 = 4.270e+00 + Al 3.726e-04 + 0.000e+00 = 3.726e-04 + Alkalinity -5.562e-05 + 0.000e+00 = -5.562e-05 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 4.695e-03 + 0.000e+00 = 4.695e-03 + Ca 1.354e-02 + 0.000e+00 = 1.354e-02 + Fe(2) 9.718e-03 + 0.000e+00 = 9.718e-03 + Fe(3) 2.476e-06 + 0.000e+00 = 2.476e-06 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + Mg 7.857e-03 + 0.000e+00 = 7.857e-03 + Mn(2) 1.208e-03 + 0.000e+00 = 1.208e-03 + Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + Na 4.810e-03 + 0.000e+00 = 4.810e-03 + O(0) 3.770e-05 + 0.000e+00 = 3.770e-05 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 3.453e-02 + 7.855e-04 = 3.532e-02 + Si 1.606e-03 + 0.000e+00 = 1.606e-03 + +Solution fractions: Minimum Maximum + Solution 1 0.000e+00 0.000e+00 0.000e+00 + Solution 2 2.887e-01 0.000e+00 0.000e+00 + Solution 3 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) + CO2(g) -2.846e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + Gypsum 7.170e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + Albite 2.137e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) + O2(g) 9.739e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite 7.896e+01 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Goethite -4.645e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) + Dolomite 3.162e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + MnOOH 8.082e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite -3.948e+01 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 7.896e+01 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + +Redox mole transfers: + Fe(3) -4.647e-03 + Mn(3) 8.082e-04 + O(0) 1.919e-03 + +Sum of residuals (epsilons in documentation): 8.645e-01 +Sum of delta/uncertainty limit: 1.874e+00 +Maximum fractional error in element concentration: 5.000e-02 + +Model contains minimum number of phases. +=============================================================================== + + Summary of inverse modeling: - Number of models found: 40 + Number of models found: 43 Number of minimal models found: 18 - Number of infeasible sets of phases saved: 120 - Number of calls to cl1: 191 + Number of infeasible sets of phases saved: 110 + Number of calls to cl1: 183 ------------------ End of simulation. ------------------ @@ -6337,7 +6580,7 @@ Initial solution 1. Recharge number 3 Specific Conductance (µS/cm, 10°C) = 278 Density (g/cm³) = 0.99999 Volume (L) = 1.00035 - Viscosity (mPa s) = 1.31358 + Viscosity (mPa s) = 1.31409 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.588e-03 Mass of water (kg) = 1.000e+00 @@ -6409,7 +6652,6 @@ Na 2.000e-05 Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42 NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86 NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96 - NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94 S(6) 1.600e-04 @@ -6477,10 +6719,10 @@ Initial solution 2. Mysse pH = 6.610 pe = 0.000 - Specific Conductance (µS/cm, 63°C) = 10507 + Specific Conductance (µS/cm, 63°C) = 10504 Density (g/cm³) = 0.98521 Volume (L) = 1.01942 - Viscosity (mPa s) = 0.45606 + Viscosity (mPa s) = 0.45631 Activity of water = 0.998 Ionic strength (mol/kgw) = 7.101e-02 Mass of water (kg) = 1.000e+00 @@ -6560,7 +6802,6 @@ Na 3.189e-02 Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09 NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67 NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20 - NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.480 -48.473 0.007 32.51 S(-2) 2.590e-04 diff --git a/mytest/np.test_101.sel b/mytest/np.test_101.sel index e75317cff..a6ba2b123 100644 --- a/mytest/np.test_101.sel +++ b/mytest/np.test_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000485529673 38.1121263078 - 0.001316661388 97.4742379483 + 0.000485529673 38.1048693287 + 0.001316661388 97.4529034025 diff --git a/mytest/np.testmp.out b/mytest/np.testmp.out index eb213e5e3..d785c3973 100644 --- a/mytest/np.testmp.out +++ b/mytest/np.testmp.out @@ -83,7 +83,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 38 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89038 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.855e-04 Mass of water (kg) = 1.000e+00 @@ -142,7 +142,6 @@ Na 1.340e-04 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 - NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40 S(6) 1.000e-05 @@ -213,7 +212,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 97 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 @@ -272,7 +271,6 @@ Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 - NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40 S(6) 2.500e-05 @@ -618,7 +616,7 @@ Initial solution 1. Inflow Specific Conductance (µS/cm, 25°C) = 1725 Density (g/cm³) = 0.99791 Volume (L) = 1.00324 - Viscosity (mPa s) = 0.89721 + Viscosity (mPa s) = 0.89725 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.988e-02 Mass of water (kg) = 1.000e+00 @@ -677,7 +675,6 @@ Na 9.449e-03 Na+ 9.367e-03 8.180e-03 -2.028 -2.087 -0.059 -1.32 NaSO4- 4.649e-05 4.074e-05 -4.333 -4.390 -0.057 -12.68 NaHCO3 3.519e-05 3.552e-05 -4.454 -4.450 0.004 31.73 - NaOH 1.037e-18 1.042e-18 -17.984 -17.982 0.002 (0) O(0) 4.155e-38 O2 2.078e-38 2.087e-38 -37.682 -37.680 0.002 30.40 S(6) 6.980e-04 @@ -807,7 +804,6 @@ Na 5.429e+00 Na+ 5.176e+00 9.322e+00 0.714 0.969 0.256 1.41 NaSO4- 2.528e-01 1.480e-01 -0.597 -0.830 -0.233 34.59 NaHCO3 7.476e-05 1.650e-03 -4.126 -2.782 1.344 31.73 - NaOH 5.060e-17 2.377e-16 -16.296 -15.624 0.672 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -40.949 -40.277 0.672 30.40 S(6) 2.914e-01 @@ -928,22 +924,546 @@ Beginning of inverse modeling 1 calculations. Using Cl1MP multiprecision optimization routine. -Post_mortem examination of inverse modeling: +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + 0.000e+00 = 6.067e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -4.347e-05 = 9.406e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 0.000e+00 = 6.575e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + 0.000e+00 = 1.122e-02 + Cl 5.835e+00 + -9.412e-02 = 5.741e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + 0.000e+00 = 1.665e-01 + Mg 4.919e-01 + 0.000e+00 = 4.919e-01 + Na 5.429e+00 + -2.714e-01 = 5.157e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 6.217e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + Aragonite -3.737e+00 0.000e+00 0.000e+00 CaCO3 ( 0.77, -0.05) + Mirabilite -1.425e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -3.444e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite 2.692e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + Albite -3.010e-01 0.000e+00 0.000e+00 NaAlSi3O8 ( , ) + Chalcedony -5.050e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -6.397e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 8.796e+00 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -4.745e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.279e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 5.853e+01 +Sum of delta/uncertainty limit: 1.415e+00 +Maximum fractional error in element concentration: 5.000e-02 +=============================================================================== + + +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + -2.478e-04 = 5.819e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -2.912e-04 = 9.158e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 3.287e-04 = 6.903e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + -5.608e-04 = 1.066e-02 + Cl 5.835e+00 + 2.917e-01 = 6.126e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + -8.324e-03 = 1.582e-01 + Mg 4.919e-01 + -2.460e-02 = 4.673e-01 + Na 5.429e+00 + 1.734e-01 = 5.602e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 6.635e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + Aragonite -3.988e+00 0.000e+00 0.000e+00 CaCO3 ( 0.77, -0.05) + Mirabilite -1.717e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -3.676e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite 2.872e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + Chalcedony -7.112e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -8.028e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 1.104e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -5.637e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.345e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 9.566e+02 +Sum of delta/uncertainty limit: 7.072e+00 +Maximum fractional error in element concentration: 5.000e-02 + +Model contains minimum number of phases. +=============================================================================== + + +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + 0.000e+00 = 6.067e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -4.347e-05 = 9.406e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 0.000e+00 = 6.575e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + 0.000e+00 = 1.122e-02 + Cl 5.835e+00 + 1.281e-01 = 5.963e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + 0.000e+00 = 1.665e-01 + Mg 4.919e-01 + -2.460e-02 = 4.673e-01 + Na 5.429e+00 + 0.000e+00 = 5.429e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 7.734e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + Halite -1.179e+00 0.000e+00 0.000e+00 NaCl ( -4.18, 1.53) + CO2(g) -4.650e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) + Mirabilite -2.484e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -4.287e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite -1.302e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + Chalcedony -9.245e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -1.046e+01 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 1.438e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -2.300e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.673e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 7.261e+01 +Sum of delta/uncertainty limit: 1.531e+00 +Maximum fractional error in element concentration: 5.000e-02 +=============================================================================== + + +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + -2.478e-04 = 5.819e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -2.912e-04 = 9.158e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 3.287e-04 = 6.903e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + -5.608e-04 = 1.066e-02 + Cl 5.835e+00 + 2.917e-01 = 6.126e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + -8.324e-03 = 1.582e-01 + Mg 4.919e-01 + -2.460e-02 = 4.673e-01 + Na 5.429e+00 + 1.734e-01 = 5.602e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 6.635e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + CO2(g) -3.988e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) + Mirabilite -1.717e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -3.677e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite -1.116e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + Chalcedony -7.112e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -8.028e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 1.104e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -1.649e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.345e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 9.566e+02 +Sum of delta/uncertainty limit: 7.072e+00 +Maximum fractional error in element concentration: 5.000e-02 + +Model contains minimum number of phases. +=============================================================================== + + +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + 0.000e+00 = 6.067e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -4.347e-05 = 9.406e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 0.000e+00 = 6.575e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + 0.000e+00 = 1.122e-02 + Cl 5.835e+00 + -9.412e-02 = 5.741e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + 0.000e+00 = 1.665e-01 + Mg 4.919e-01 + 0.000e+00 = 4.919e-01 + Na 5.429e+00 + -2.714e-01 = 5.157e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 4.233e-14 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 6.217e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + Aragonite -1.044e+00 0.000e+00 0.000e+00 CaCO3 ( 0.77, -0.05) + CO2(g) -2.692e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) + Mirabilite -1.425e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -3.445e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Albite -3.010e-01 0.000e+00 0.000e+00 NaAlSi3O8 ( , ) + Chalcedony -5.050e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -6.397e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 8.796e+00 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -2.052e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.279e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 5.853e+01 +Sum of delta/uncertainty limit: 1.415e+00 +Maximum fractional error in element concentration: 5.000e-02 +=============================================================================== + + +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + -2.478e-04 = 5.819e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -2.912e-04 = 9.158e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 3.287e-04 = 6.903e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + -5.608e-04 = 1.066e-02 + Cl 5.835e+00 + 2.917e-01 = 6.126e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + -8.324e-03 = 1.582e-01 + Mg 4.919e-01 + -2.460e-02 = 4.673e-01 + Na 5.429e+00 + 1.734e-01 = 5.602e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 3.664e-13 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 6.635e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + Aragonite -1.116e+00 0.000e+00 0.000e+00 CaCO3 ( 0.77, -0.05) + CO2(g) -2.872e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) + Mirabilite -1.717e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -3.677e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Chalcedony -7.112e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -8.028e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 1.104e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -2.765e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.345e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 9.566e+02 +Sum of delta/uncertainty limit: 7.072e+00 +Maximum fractional error in element concentration: 5.000e-02 + +Model contains minimum number of phases. +=============================================================================== + + +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + 0.000e+00 = 6.067e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -4.347e-05 = 9.406e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 0.000e+00 = 6.575e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + 0.000e+00 = 1.122e-02 + Cl 5.835e+00 + -9.412e-02 = 5.741e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + 0.000e+00 = 1.665e-01 + Mg 4.919e-01 + 0.000e+00 = 4.919e-01 + Na 5.429e+00 + -2.714e-01 = 5.157e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 6.217e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + CO2(g) -3.737e+00 0.000e+00 0.000e+00 CO2 ( -2.58, -3.27) + Mirabilite -1.425e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -3.445e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite -1.044e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + Albite -3.010e-01 0.000e+00 0.000e+00 NaAlSi3O8 ( , ) + Chalcedony -5.050e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -6.397e+00 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 8.796e+00 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -1.008e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.279e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 5.853e+01 +Sum of delta/uncertainty limit: 1.415e+00 +Maximum fractional error in element concentration: 5.000e-02 +=============================================================================== + + + CL1: Roundoff errors in optimization. + Try using -multiple_precision in INVERSE_MODELING + +Solution 1: Inflow + + Input Delta Input+Delta + pH 8.100e+00 + 0.000e+00 = 8.100e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.067e-03 + 0.000e+00 = 6.067e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.021e-03 + 0.000e+00 = 6.021e-03 + Ca 1.698e-03 + 0.000e+00 = 1.698e-03 + Cl 9.234e-03 + 0.000e+00 = 9.234e-03 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 4.350e-04 + 0.000e+00 = 4.350e-04 + Mg 1.730e-03 + 0.000e+00 = 1.730e-03 + Na 9.449e-03 + -4.347e-05 = 9.406e-03 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 6.980e-04 + 0.000e+00 = 6.980e-04 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution 2: Lake + + Input Delta Input+Delta + pH 7.500e+00 + 0.000e+00 = 7.500e+00 + Al 0.000e+00 + 0.000e+00 = 0.000e+00 + Alkalinity 6.575e-03 + 0.000e+00 = 6.575e-03 + C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 + C(4) 6.304e-03 + 0.000e+00 = 6.304e-03 + Ca 1.122e-02 + 0.000e+00 = 1.122e-02 + Cl 5.835e+00 + 1.281e-01 = 5.963e+00 + Fe(2) 0.000e+00 + 0.000e+00 = 0.000e+00 + Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00 + H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + K 1.665e-01 + 0.000e+00 = 1.665e-01 + Mg 4.919e-01 + -2.460e-02 = 4.673e-01 + Na 5.429e+00 + 0.000e+00 = 5.429e+00 + O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 + S(6) 2.914e-01 + 0.000e+00 = 2.914e-01 + Si 5.000e-04 + 0.000e+00 = 5.000e-04 + +Solution fractions: Minimum Maximum + Solution 1 7.734e+02 0.000e+00 0.000e+00 + Solution 2 1.000e+00 0.000e+00 0.000e+00 + +Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) + Halite -1.179e+00 0.000e+00 0.000e+00 NaCl ( -4.18, 1.53) + Aragonite -4.650e+00 0.000e+00 0.000e+00 CaCO3 ( 0.77, -0.05) + Mirabilite -2.484e-01 0.000e+00 0.000e+00 Na2SO4:10H2O ( -7.69, -2.06) + H2O(g) -4.286e+04 0.000e+00 0.000e+00 H2O ( -0.00, -0.10) + Anorthite 3.348e+00 0.000e+00 0.000e+00 CaAl2Si2O8 ( , ) + Chalcedony -9.245e+00 0.000e+00 0.000e+00 SiO2 ( 0.24, 1.10) +Montmorillonite -1.046e+01 0.000e+00 0.000e+00 (HNaK)0.14Mg0.45Fe0.33Al1 ( , ) +Montmorillonite 1.438e+01 0.000e+00 0.000e+00 (HNaK)0.09Mg0.29Fe0.24Al1 ( , ) + Kaolinite -6.950e+00 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , ) + Sepiolite -1.673e-01 0.000e+00 0.000e+00 Mg2Si3O7.5OH:3H2O ( 0.65, 6.52) + +Redox mole transfers: + +Sum of residuals (epsilons in documentation): 7.261e+01 +Sum of delta/uncertainty limit: 1.531e+00 +Maximum fractional error in element concentration: 5.000e-02 +=============================================================================== - ERROR: equality not satisfied for Al, 2.165379e-12. - ERROR: equality not satisfied for Alkalinity, 4.512330e-12. - ERROR: equality not satisfied for Cl, 3.834821e-12. - ERROR: equality not satisfied for Na, 2.776668e-12. - ERROR: equality not satisfied for Si, 7.572933e-12. - ERROR: equality not satisfied for H2O, 3.710771e-12. - ERROR: inequality not satisfied for S(6) eps-, 1.586467e-01 Summary of inverse modeling: - Number of models found: 0 - Number of minimal models found: 0 - Number of infeasible sets of phases saved: 1 - Number of calls to cl1: 3 + Number of models found: 8 + Number of minimal models found: 3 + Number of infeasible sets of phases saved: 29 + Number of calls to cl1: 49 ------------------ End of simulation. ------------------ @@ -996,7 +1516,7 @@ Initial solution 1. Specific Conductance (µS/cm, 17°C) = 263 Density (g/cm³) = 0.99899 Volume (L) = 1.00128 - Viscosity (mPa s) = 1.08246 + Viscosity (mPa s) = 1.08272 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.898e-03 Mass of water (kg) = 1.000e+00 @@ -1047,7 +1567,6 @@ Na 1.653e-04 Na+ 1.647e-04 1.531e-04 -3.783 -3.815 -0.032 -1.90 NaSO4- 3.178e-07 2.957e-07 -6.498 -6.529 -0.031 -18.92 NaHCO3 2.818e-07 2.825e-07 -6.550 -6.549 0.001 31.80 - NaOH 3.264e-21 3.268e-21 -20.486 -20.486 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.405 -42.404 0.000 29.71 S(6) 1.978e-04 @@ -1101,7 +1620,7 @@ Initial solution 2. Specific Conductance (µS/cm, 19°C) = 503 Density (g/cm³) = 0.99879 Volume (L) = 1.00173 - Viscosity (mPa s) = 1.02986 + Viscosity (mPa s) = 1.02994 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.635e-03 Mass of water (kg) = 1.000e+00 @@ -1152,7 +1671,6 @@ Na 6.093e-03 Na+ 6.063e-03 5.573e-03 -2.217 -2.254 -0.037 -1.75 NaHCO3 2.180e-05 2.186e-05 -4.662 -4.660 0.001 31.78 NaSO4- 8.363e-06 7.701e-06 -5.078 -5.113 -0.036 -17.58 - NaOH 8.826e-19 8.839e-19 -18.054 -18.054 0.001 (0) O(0) 6.182e-39 O2 3.091e-39 3.096e-39 -38.510 -38.509 0.001 29.89 S(6) 1.354e-04 @@ -1478,7 +1996,7 @@ Initial solution 1. Site 404, background Specific Conductance (µS/cm, 19°C) = 358 Density (g/cm³) = 0.99870 Volume (L) = 1.00170 - Viscosity (mPa s) = 1.02952 + Viscosity (mPa s) = 1.02979 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.846e-03 Mass of water (kg) = 1.000e+00 @@ -1555,7 +2073,6 @@ Na 1.175e-03 Na+ 1.170e-03 1.081e-03 -2.932 -2.966 -0.035 -1.76 NaHCO3 2.679e-06 2.686e-06 -5.572 -5.571 0.001 31.78 NaSO4- 2.118e-06 1.959e-06 -5.674 -5.708 -0.034 -17.96 - NaOH 3.044e-20 3.048e-20 -19.517 -19.516 0.001 (0) O(0) 3.689e-04 O2 1.844e-04 1.847e-04 -3.734 -3.734 0.001 29.89 S(6) 1.874e-04 @@ -1631,10 +2148,10 @@ Initial solution 2. Site 51, plume pH = 3.740 pe = 7.267 - Specific Conductance (µS/cm, 18°C) = 9230 + Specific Conductance (µS/cm, 18°C) = 9229 Density (g/cm³) = 1.01122 Volume (L) = 1.00259 - Viscosity (mPa s) = 1.08069 + Viscosity (mPa s) = 1.08169 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.026e-01 Mass of water (kg) = 1.000e+00 @@ -1750,7 +2267,6 @@ Na 9.261e-03 Na+ 7.691e-03 5.766e-03 -2.114 -2.239 -0.125 -1.31 NaSO4- 1.570e-03 1.176e-03 -2.804 -2.930 -0.125 -2.01 NaHCO3 3.556e-08 3.903e-08 -7.449 -7.409 0.041 31.79 - NaOH 1.756e-23 1.840e-23 -22.756 -22.735 0.020 (0) O(0) 3.168e-05 O2 1.584e-05 1.660e-05 -4.800 -4.780 0.020 29.80 S(6) 9.287e-02 @@ -1847,10 +2363,10 @@ Initial solution 3. Site 402, final water pH = 4.270 pe = 7.267 - Specific Conductance (µS/cm, 18°C) = 4392 + Specific Conductance (µS/cm, 18°C) = 4391 Density (g/cm³) = 1.00337 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.06979 + Viscosity (mPa s) = 1.07085 Activity of water = 0.999 Ionic strength (mol/kgw) = 8.801e-02 Mass of water (kg) = 1.000e+00 @@ -1966,7 +2482,6 @@ Na 4.810e-03 Na+ 4.271e-03 3.393e-03 -2.369 -2.469 -0.100 -1.51 NaSO4- 5.390e-04 4.306e-04 -3.268 -3.366 -0.097 -7.09 NaHCO3 8.134e-08 8.470e-08 -7.090 -7.072 0.018 31.79 - NaOH 3.600e-23 3.674e-23 -22.444 -22.435 0.009 (0) O(0) 3.770e-05 O2 1.885e-05 1.924e-05 -4.725 -4.716 0.009 29.80 S(6) 3.453e-02 @@ -2146,7 +2661,7 @@ Solution 1: Site 404, background Na 1.175e-03 + 0.000e+00 = 1.175e-03 O(0) 3.689e-04 + 0.000e+00 = 3.689e-04 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 - S(6) 1.874e-04 + -1.756e-14 = 1.874e-04 + S(6) 1.874e-04 + 0.000e+00 = 1.874e-04 Si 5.328e-04 + 0.000e+00 = 5.328e-04 Solution 2: Site 51, plume @@ -2198,15 +2713,15 @@ Solution fractions: Minimum Maximum Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) Calcite -6.895e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) - CO2(g) 7.145e-06 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + CO2(g) 7.158e-06 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) Gypsum 1.337e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) Albite 1.828e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) - Gibbsite -8.666e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Gibbsite -8.266e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -1.407e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) Dolomite 3.805e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) MnOOH 8.969e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 2.555e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -9.778e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Kaolinite 2.355e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony -9.378e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -1.408e-03 @@ -2610,13 +3125,13 @@ Solution 2: Site 51, plume C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 4.220e-03 + 0.000e+00 = 4.220e-03 Ca 1.113e-02 + 0.000e+00 = 1.113e-02 - Fe(2) 5.083e-02 + -9.250e-04 = 4.990e-02 + Fe(2) 5.083e-02 + -9.273e-04 = 4.990e-02 Fe(3) 4.150e-06 + 0.000e+00 = 4.150e-06 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 Mg 1.626e-02 + 0.000e+00 = 1.626e-02 Mn(2) 1.384e-03 + 0.000e+00 = 1.384e-03 Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00 - Na 9.261e-03 + -2.788e-04 = 8.982e-03 + Na 9.261e-03 + -2.742e-04 = 8.987e-03 O(0) 3.168e-05 + 0.000e+00 = 3.168e-05 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 9.287e-02 + 4.644e-03 = 9.752e-02 @@ -2644,28 +3159,28 @@ Solution 3: Site 402, final water Si 1.606e-03 + 0.000e+00 = 1.606e-03 Solution fractions: Minimum Maximum - Solution 1 5.356e-01 0.000e+00 0.000e+00 + Solution 1 5.332e-01 0.000e+00 0.000e+00 Solution 2 4.655e-01 0.000e+00 0.000e+00 Solution 3 1.000e+00 0.000e+00 0.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) - Calcite 1.800e-02 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) + Calcite 1.801e-02 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) CO2(g) -1.736e-02 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) - Gypsum -1.017e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) - O2(g) 3.149e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite -5.174e-02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Gypsum -1.018e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + O2(g) 3.151e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite 2.069e-01 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -1.351e-02 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) - MnOOH 5.625e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 2.387e-02 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -4.720e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + MnOOH 5.624e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite -1.054e-01 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 2.114e-01 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -1.351e-02 - Mn(3) 5.625e-04 - O(0) 6.473e-03 + Mn(3) 5.624e-04 + O(0) 6.475e-03 -Sum of residuals (epsilons in documentation): 1.749e+00 -Sum of delta/uncertainty limit: 3.129e+00 +Sum of residuals (epsilons in documentation): 1.743e+00 +Sum of delta/uncertainty limit: 3.120e+00 Maximum fractional error in element concentration: 5.000e-02 =============================================================================== @@ -2915,25 +3430,25 @@ Solution 3: Site 402, final water Si 1.606e-03 + 0.000e+00 = 1.606e-03 Solution fractions: Minimum Maximum - Solution 1 5.510e-01 0.000e+00 0.000e+00 + Solution 1 5.508e-01 0.000e+00 0.000e+00 Solution 2 4.495e-01 0.000e+00 0.000e+00 Solution 3 1.000e+00 0.000e+00 0.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) Calcite 1.636e-02 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) CO2(g) -1.621e-02 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) - Gypsum -8.617e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) - O2(g) 2.926e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite 1.959e-04 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Gypsum -8.620e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) + O2(g) 2.927e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite 2.747e-02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -1.265e-02 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) - Dolomite 2.515e-04 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) - MnOOH 5.846e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite -2.023e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony 4.600e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Dolomite 2.510e-04 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) + MnOOH 5.845e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) + Kaolinite -1.566e-02 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 3.188e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -1.265e-02 - Mn(3) 5.846e-04 + Mn(3) 5.845e-04 O(0) 6.033e-03 Sum of residuals (epsilons in documentation): 1.483e+00 @@ -3006,28 +3521,28 @@ Solution 3: Site 402, final water Si 1.606e-03 + 0.000e+00 = 1.606e-03 Solution fractions: Minimum Maximum - Solution 1 6.393e-01 0.000e+00 0.000e+00 + Solution 1 6.392e-01 0.000e+00 0.000e+00 Solution 2 3.610e-01 0.000e+00 0.000e+00 Solution 3 1.000e+00 0.000e+00 0.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2, 3 at 291 K, 1 atm) Calcite 7.245e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) - CO2(g) -9.856e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) - Albite 7.162e-04 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) + CO2(g) -9.855e-03 0.000e+00 0.000e+00 CO2 ( -2.33, -0.98, -0.95) + Albite 7.163e-04 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) O2(g) 1.780e-03 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite -4.238e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Gibbsite 8.238e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -8.243e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) Dolomite 1.644e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) MnOOH 7.070e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 2.520e-04 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -1.996e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Kaolinite -5.986e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony 1.048e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -8.244e-03 Mn(3) 7.070e-04 O(0) 3.769e-03 -Sum of residuals (epsilons in documentation): 1.420e+00 +Sum of residuals (epsilons in documentation): 1.419e+00 Sum of delta/uncertainty limit: 2.582e+00 Maximum fractional error in element concentration: 5.000e-02 @@ -3200,13 +3715,13 @@ Phase mole transfers: Minimum Maximum Formula Calcite -6.884e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) Gypsum 1.336e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) Albite 1.827e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) - O2(g) 1.289e-06 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite -8.678e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + O2(g) 1.291e-06 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) + Gibbsite -8.283e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -1.412e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) Dolomite 3.803e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) MnOOH 8.967e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 2.561e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -9.787e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Kaolinite 2.364e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony -9.393e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -1.413e-03 @@ -3245,7 +3760,7 @@ Solution 2: Site 51, plume Input Delta Input+Delta pH 3.740e+00 + 0.000e+00 = 3.740e+00 Al 9.394e-03 + 0.000e+00 = 9.394e-03 - Alkalinity -5.078e-04 + -1.264e-14 = -5.078e-04 + Alkalinity -5.078e-04 + 0.000e+00 = -5.078e-04 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 4.220e-03 + 0.000e+00 = 4.220e-03 Ca 1.113e-02 + 0.000e+00 = 1.113e-02 @@ -3292,12 +3807,12 @@ Phase mole transfers: Minimum Maximum Formula Gypsum 6.851e-03 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) Albite 1.286e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) O2(g) 8.677e-04 0.000e+00 0.000e+00 O2 ( -0.90, -1.94, -1.88) - Gibbsite -1.621e-02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Gibbsite -1.988e-02 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -4.740e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) Dolomite 2.751e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) MnOOH 8.043e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 6.284e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -1.569e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Kaolinite 8.120e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony -1.936e-02 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -4.742e-03 @@ -4652,12 +5167,12 @@ Phase mole transfers: Minimum Maximum Formula Calcite -6.876e-03 0.000e+00 0.000e+00 CaCO3 ( 0.08, -5.91, -4.59) Gypsum 1.335e-02 0.000e+00 0.000e+00 CaSO4:2H2O ( -2.49, 0.04, 0.05) Albite 1.825e-03 0.000e+00 0.000e+00 NaAlSi3O8 ( , -4.43, -3.77) - Gibbsite -8.670e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) + Gibbsite -8.287e-03 0.000e+00 0.000e+00 Al(OH)3 ( , -1.24, -0.77) Goethite -1.406e-03 0.000e+00 0.000e+00 FeOOH ( , 4.04, 5.05) Dolomite 3.799e-03 0.000e+00 0.000e+00 CaMg(CO3)2 ( -0.01,-11.62, -9.37) MnOOH 8.964e-04 0.000e+00 0.000e+00 MnOOH (-44.74,-53.75,-52.08) - Kaolinite 2.557e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) - Chalcedony -9.774e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) + Kaolinite 2.365e-03 0.000e+00 0.000e+00 Al2Si2O5(OH)4 ( , 1.00, 1.85) + Chalcedony -9.390e-03 0.000e+00 0.000e+00 SiO2 ( 0.36, 0.88, 0.85) Redox mole transfers: Fe(3) -1.408e-03 @@ -5384,7 +5899,7 @@ Initial solution 1. Recharge number 3 Specific Conductance (µS/cm, 10°C) = 278 Density (g/cm³) = 0.99999 Volume (L) = 1.00035 - Viscosity (mPa s) = 1.31358 + Viscosity (mPa s) = 1.31409 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.588e-03 Mass of water (kg) = 1.000e+00 @@ -5456,7 +5971,6 @@ Na 2.000e-05 Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42 NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86 NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96 - NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94 S(6) 1.600e-04 @@ -5523,10 +6037,10 @@ Initial solution 2. Mysse pH = 6.610 pe = 0.000 - Specific Conductance (µS/cm, 63°C) = 10507 + Specific Conductance (µS/cm, 63°C) = 10504 Density (g/cm³) = 0.98521 Volume (L) = 1.01942 - Viscosity (mPa s) = 0.45606 + Viscosity (mPa s) = 0.45631 Activity of water = 0.998 Ionic strength (mol/kgw) = 7.101e-02 Mass of water (kg) = 1.000e+00 @@ -5606,7 +6120,6 @@ Na 3.189e-02 Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09 NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67 NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20 - NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -48.480 -48.473 0.007 32.51 S(-2) 2.590e-04 diff --git a/mytest/np.testmp_101.sel b/mytest/np.testmp_101.sel index 63daf717d..e7dbf1760 100644 --- a/mytest/np.testmp_101.sel +++ b/mytest/np.testmp_101.sel @@ -1,12 +1,12 @@ Mu SC - 0.000485529673 38.1121263078 - 0.001316661388 97.4742379483 - 0.019880553452 1725.3469995454 - 6.719799723054 215797.3514651959 - 0.004898166098 263.7941925811 - 0.006635251152 503.1105206430 - 0.005845698104 358.5028091985 - 0.202591307713 9230.8234568851 - 0.088005559915 4392.8434028168 - 0.006588098410 278.9687536959 - 0.071009410667 10507.6671798541 + 0.000485529673 38.1048693287 + 0.001316661388 97.4529034025 + 0.019880553452 1725.2922181413 + 6.719799723054 215797.2666186815 + 0.004898166098 263.7585105776 + 0.006635251152 503.0948652373 + 0.005845698104 358.4517974281 + 0.202591307713 9229.2657280350 + 0.088005559915 4391.5575059210 + 0.006588098410 278.9069763583 + 0.071009410667 10504.9342400163 diff --git a/mytest/opa_col2.out b/mytest/opa_col2.out index 26887e2d4..24e1b14b8 100644 --- a/mytest/opa_col2.out +++ b/mytest/opa_col2.out @@ -100,10 +100,10 @@ Initial solution 0. pH = 7.090 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 @@ -168,7 +168,6 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 @@ -236,10 +235,10 @@ Initial solution 4. pH = 7.090 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 @@ -300,7 +299,6 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.765 -41.729 0.036 30.40 S(6) 1.260e-02 @@ -382,18 +380,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 5.550745e+01 @@ -407,8 +405,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -432,8 +430,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -453,16 +451,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -489,21 +486,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -538,7 +535,7 @@ Surface 4. Diffuse Double Layer Surface-Complexation Model Su - -1.829e-13 Surface + diffuse layer charge, eq + -1.831e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -548,7 +545,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -650,18 +647,18 @@ Mixture 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.357 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.362 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.00128 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.272e-03 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.326e-17 + Electrical balance (eq) = 3.312e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.412493e-01 @@ -675,8 +672,8 @@ Mixture 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.633e-26 - CH4 8.633e-26 9.386e-26 -25.064 -25.028 0.036 35.46 +C(-4) 9.432e-26 + CH4 9.432e-26 1.026e-25 -25.025 -24.989 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -700,8 +697,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.448e-15 - H2 2.224e-15 2.418e-15 -14.653 -14.617 0.036 28.61 +H(0) 4.548e-15 + H2 2.274e-15 2.472e-15 -14.643 -14.607 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -717,14 +714,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.192 -63.156 0.036 30.40 -S(-2) 1.353e-22 - HS- 9.462e-23 6.229e-23 -22.024 -22.206 -0.182 21.14 - H2S 4.072e-23 4.427e-23 -22.390 -22.354 0.036 36.27 - S-2 3.840e-28 9.256e-29 -27.416 -28.034 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -46.022 -45.986 0.036 30.09 + O2 0.000e+00 0.000e+00 -63.211 -63.175 0.036 30.40 +S(-2) 1.479e-22 + HS- 1.034e-22 6.806e-23 -21.986 -22.167 -0.182 21.14 + H2S 4.449e-23 4.837e-23 -22.352 -22.315 0.036 36.27 + S-2 4.195e-28 1.011e-28 -27.377 -27.995 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -45.945 -45.909 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -751,21 +747,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -22.23 -25.03 -2.80 CH4 + CH4(g) -22.19 -24.99 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -11.52 -14.62 -3.10 H2 + H2(g) -11.51 -14.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -21.36 -29.30 -7.94 H2S + H2S(g) -21.32 -29.26 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -60.26 -63.16 -2.89 O2 + O2(g) -60.28 -63.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -15.77 -10.89 4.88 S + Sulfur -15.74 -10.86 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -832,18 +828,18 @@ Using solution 0. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 Total H = 5.550745e+01 @@ -857,8 +853,8 @@ Using solution 0. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -882,8 +878,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -903,16 +899,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -939,21 +934,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -981,18 +976,18 @@ Using solution 1. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 (22 overall) Total H = 5.550745e+01 @@ -1006,8 +1001,8 @@ Using solution 1. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -1031,8 +1026,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -1052,16 +1047,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -1088,21 +1082,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -1139,18 +1133,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 11 (33 overall) Total H = 5.550745e+01 @@ -1164,8 +1158,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -1189,8 +1183,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -1210,16 +1204,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -1246,21 +1239,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -1284,7 +1277,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -1294,7 +1287,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -1335,20 +1328,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (48 overall) + Iterations = 0 (46 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -1360,8 +1353,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -1385,8 +1378,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -1402,14 +1395,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -1436,21 +1428,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -1474,7 +1466,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -1484,7 +1476,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -1525,20 +1517,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (63 overall) + Iterations = 0 (59 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -1550,8 +1542,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -1575,8 +1567,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -1592,14 +1584,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -1626,21 +1617,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -1664,7 +1655,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -1674,7 +1665,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -1715,20 +1706,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (78 overall) + Iterations = 0 (72 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -1740,8 +1731,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -1765,8 +1756,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -1782,14 +1773,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -1816,21 +1806,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -1854,7 +1844,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -1864,7 +1854,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -1905,20 +1895,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (93 overall) + Iterations = 0 (85 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -1930,8 +1920,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -1955,8 +1945,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -1972,14 +1962,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -2006,21 +1995,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -2044,7 +2033,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -2054,7 +2043,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -2095,20 +2084,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (108 overall) + Iterations = 0 (98 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -2120,8 +2109,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -2145,8 +2134,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -2162,14 +2151,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -2196,21 +2184,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -2234,7 +2222,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -2244,7 +2232,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -2285,20 +2273,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (123 overall) + Iterations = 0 (111 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -2310,8 +2298,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -2335,8 +2323,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -2352,14 +2340,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -2386,21 +2373,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -2424,7 +2411,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -2434,7 +2421,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -2475,20 +2462,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (138 overall) + Iterations = 0 (124 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -2500,8 +2487,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -2525,8 +2512,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -2542,14 +2529,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -2576,21 +2562,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -2614,7 +2600,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -2624,7 +2610,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -2665,20 +2651,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (153 overall) + Iterations = 0 (137 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -2690,8 +2676,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -2715,8 +2701,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -2732,14 +2718,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -2766,21 +2751,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -2804,7 +2789,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -2814,7 +2799,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -2855,20 +2840,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (168 overall) + Iterations = 0 (150 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -2880,8 +2865,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -2905,8 +2890,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -2922,14 +2907,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -2956,21 +2940,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -2994,7 +2978,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -3004,7 +2988,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -3045,20 +3029,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (183 overall) + Iterations = 0 (163 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -3070,8 +3054,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -3095,8 +3079,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -3112,14 +3096,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -3146,21 +3129,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -3184,7 +3167,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -3194,7 +3177,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -3235,20 +3218,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (198 overall) + Iterations = 0 (176 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -3260,8 +3243,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -3285,8 +3268,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -3302,14 +3285,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -3336,21 +3318,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -3374,7 +3356,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -3384,7 +3366,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -3425,20 +3407,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (213 overall) + Iterations = 0 (189 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -3450,8 +3432,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -3475,8 +3457,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -3492,14 +3474,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -3526,21 +3507,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -3564,7 +3545,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -3574,7 +3555,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -3615,20 +3596,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (228 overall) + Iterations = 0 (202 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -3640,8 +3621,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -3665,8 +3646,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -3682,14 +3663,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -3716,21 +3696,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -3754,7 +3734,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -3764,7 +3744,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -3805,20 +3785,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (243 overall) + Iterations = 0 (215 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -3830,8 +3810,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -3855,8 +3835,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -3872,14 +3852,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -3906,21 +3885,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -3944,7 +3923,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -3954,7 +3933,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -3995,20 +3974,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (258 overall) + Iterations = 0 (228 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -4020,8 +3999,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -4045,8 +4024,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -4062,14 +4041,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -4096,21 +4074,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -4134,7 +4112,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -4144,7 +4122,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -4185,20 +4163,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (273 overall) + Iterations = 0 (241 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -4210,8 +4188,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -4235,8 +4213,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -4252,14 +4230,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -4286,21 +4263,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -4324,7 +4301,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -4334,7 +4311,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -4375,20 +4352,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (288 overall) + Iterations = 0 (254 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -4400,8 +4377,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -4425,8 +4402,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -4442,14 +4419,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -4476,21 +4452,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -4514,7 +4490,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -4524,7 +4500,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -4565,20 +4541,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (303 overall) + Iterations = 0 (267 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -4590,8 +4566,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -4615,8 +4591,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -4632,14 +4608,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -4666,21 +4641,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -4704,7 +4679,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -4714,7 +4689,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -4755,20 +4730,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (318 overall) + Iterations = 0 (280 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -4780,8 +4755,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -4805,8 +4780,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -4822,14 +4797,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -4856,21 +4830,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -4894,7 +4868,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - 2.053e-09 Surface + diffuse layer charge, eq + 1.793e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -4904,7 +4878,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -4945,20 +4919,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 10.775 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.437 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.799e-13 + Electrical balance (eq) = -1.801e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (333 overall) + Iterations = 0 (293 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -4970,8 +4944,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.116 -122.080 0.036 35.46 +C(-4) 3.796e-25 + CH4 3.796e-25 4.127e-25 -24.421 -24.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -4995,8 +4969,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.428e-39 - H2 1.214e-39 1.320e-39 -38.916 -38.880 0.036 28.61 +H(0) 6.441e-15 + H2 3.220e-15 3.501e-15 -14.492 -14.456 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -5012,14 +4986,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 4.315e-15 - O2 2.158e-15 2.346e-15 -14.666 -14.630 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.076 -119.258 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -119.442 -119.406 0.036 36.27 - S-2 0.000e+00 0.000e+00 -124.468 -125.086 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -240.126 -240.090 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.514 -63.477 0.036 30.40 +S(-2) 5.950e-22 + HS- 4.160e-22 2.739e-22 -21.381 -21.562 -0.182 21.14 + H2S 1.790e-22 1.946e-22 -21.747 -21.711 0.036 36.27 + S-2 1.688e-27 4.069e-28 -26.773 -27.390 -0.618 (0) + (H2S)2 0.000e+00 0.000e+00 -44.736 -44.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -5046,21 +5019,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -119.28 -122.08 -2.80 CH4 + CH4(g) -21.58 -24.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -35.78 -38.88 -3.10 H2 + H2(g) -11.35 -14.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.41 -126.35 -7.94 H2S + H2S(g) -20.72 -28.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -11.74 -14.63 -2.89 O2 + O2(g) -60.58 -63.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -88.56 -83.68 4.88 S + Sulfur -15.29 -10.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -5094,18 +5067,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -5119,8 +5092,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -5144,8 +5117,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -5165,16 +5138,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -5201,21 +5173,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -5243,18 +5215,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.186e-14 + Electrical balance (eq) = 1.182e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -5268,8 +5240,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -5293,8 +5265,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -5314,16 +5286,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -5350,21 +5321,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -5401,18 +5372,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.859 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.824 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.192e-14 + Electrical balance (eq) = 1.181e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -5426,8 +5397,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.932e-22 - CH4 8.932e-22 9.712e-22 -21.049 -21.013 0.036 35.46 +C(-4) 4.763e-22 + CH4 4.763e-22 5.178e-22 -21.322 -21.286 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -5451,8 +5422,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.486e-14 - H2 2.243e-14 2.439e-14 -13.649 -13.613 0.036 28.61 +H(0) 3.834e-14 + H2 1.917e-14 2.084e-14 -13.717 -13.681 0.036 28.61 Hto 9.497e-07 Hto 9.497e-07 9.497e-07 -6.022 -6.022 0.000 (0) I 9.712e-07 @@ -5472,16 +5443,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 9.084e-07 Nat+ 9.084e-07 9.084e-07 -6.042 -6.042 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.199 -65.163 0.036 30.40 -S(-2) 1.400e-18 - HS- 9.790e-19 6.445e-19 -18.009 -18.191 -0.182 21.14 - H2S 4.213e-19 4.580e-19 -18.375 -18.339 0.036 36.27 - S-2 3.973e-24 9.577e-25 -23.401 -24.019 -0.618 (0) - (H2S)2 1.017e-38 1.106e-38 -37.993 -37.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -65.063 -65.027 0.036 30.40 +S(-2) 7.467e-19 + HS- 5.220e-19 3.437e-19 -18.282 -18.464 -0.182 21.14 + H2S 2.246e-19 2.442e-19 -18.649 -18.612 0.036 36.27 + S-2 2.118e-24 5.106e-25 -23.674 -24.292 -0.618 (0) + (H2S)2 2.891e-39 3.143e-39 -38.539 -38.503 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -5508,21 +5478,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.21 -21.01 -2.80 CH4 + CH4(g) -18.48 -21.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -10.51 -13.61 -3.10 H2 + H2(g) -10.58 -13.68 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -17.34 -25.28 -7.94 H2S + H2S(g) -17.62 -25.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -62.27 -65.16 -2.89 O2 + O2(g) -62.13 -65.03 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -12.76 -7.88 4.88 S + Sulfur -12.96 -8.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -5546,7 +5516,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-13 Surface + diffuse layer charge, eq + -9.709e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -5556,7 +5526,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -5567,12 +5537,12 @@ Su Ca 7.1884e-02 Cl 4.6666e-10 H 1.2947e-04 - Hto 1.2581e-08 - I 1.4395e-20 + Hto 1.2580e-08 + I 1.4393e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8135e-08 + Nat 3.8134e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -5603,18 +5573,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.862 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.856 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.041e-09 + Electrical balance (eq) = 1.782e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (20 overall) Total H = 1.307864e+01 @@ -5628,8 +5598,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.452e-14 - CH4 9.452e-14 1.028e-13 -13.024 -12.988 0.036 35.46 +C(-4) 8.559e-14 + CH4 8.559e-14 9.305e-14 -13.068 -13.031 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -5653,8 +5623,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.550e-12 - H2 2.275e-12 2.473e-12 -11.643 -11.607 0.036 28.61 +H(0) 4.439e-12 + H2 2.219e-12 2.413e-12 -11.654 -11.617 0.036 28.61 Hto 1.066e-07 Hto 1.066e-07 1.066e-07 -6.972 -6.972 0.000 (0) I 1.222e-07 @@ -5674,16 +5644,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 6.489e-08 Nat+ 6.489e-08 6.489e-08 -7.188 -7.188 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.212 -69.175 0.036 30.40 -S(-2) 1.482e-10 - HS- 1.036e-10 6.820e-11 -9.985 -10.166 -0.182 21.14 - H2S 4.458e-11 4.847e-11 -10.351 -10.315 0.036 36.27 - S-2 4.204e-16 1.013e-16 -15.376 -15.994 -0.618 (0) - (H2S)2 1.139e-22 1.238e-22 -21.944 -21.907 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.190 -69.154 0.036 30.40 +S(-2) 1.342e-10 + HS- 9.381e-11 6.176e-11 -10.028 -10.209 -0.182 21.14 + H2S 4.037e-11 4.389e-11 -10.394 -10.358 0.036 36.27 + S-2 3.807e-16 9.177e-17 -15.419 -16.037 -0.618 (0) + (H2S)2 9.336e-23 1.015e-22 -22.030 -21.994 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -5710,21 +5679,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.19 -12.99 -2.80 CH4 + CH4(g) -10.23 -13.03 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.51 -11.61 -3.10 H2 + H2(g) -8.52 -11.62 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.32 -17.26 -7.94 H2S + H2S(g) -9.36 -17.30 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.28 -69.18 -2.89 O2 + O2(g) -66.26 -69.15 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.74 -1.86 4.88 S + Sulfur -6.77 -1.89 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -5748,7 +5717,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - 2.546e-09 Surface + diffuse layer charge, eq + 8.048e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -5758,7 +5727,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -5799,20 +5768,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 11.968 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.523e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (10 overall) + Iterations = 0 (18 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -5824,15 +5793,15 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -131.662 -131.626 0.036 35.46 +C(-4) 4.209e-14 + CH4 4.209e-14 4.576e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 @@ -5843,14 +5812,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.302 -41.266 0.036 28.61 +H(0) 3.717e-12 + H2 1.858e-12 2.021e-12 -11.731 -11.695 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -5866,14 +5835,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -O(0) 2.559e-10 - O2 1.279e-10 1.391e-10 -9.893 -9.857 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -128.622 -128.804 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -128.988 -128.952 0.036 36.27 - S-2 0.000e+00 0.000e+00 -134.014 -134.632 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -259.218 -259.182 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.599e-11 + HS- 4.613e-11 3.037e-11 -10.336 -10.518 -0.182 21.14 + H2S 1.985e-11 2.158e-11 -10.702 -10.666 0.036 36.27 + S-2 1.872e-16 4.513e-17 -15.728 -16.346 -0.618 (0) + (H2S)2 2.258e-23 2.455e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -5900,21 +5868,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -128.82 -131.63 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -38.16 -41.27 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -127.96 -135.89 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -6.96 -9.86 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -95.72 -90.84 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -5938,7 +5906,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -5948,7 +5916,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -5989,18 +5957,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -6014,8 +5982,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.935e-15 - CH4 8.935e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -6039,8 +6007,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.372e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -6056,14 +6024,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.793e-12 6.447e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.582e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.580e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.992 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.259e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -6090,21 +6057,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -6128,7 +6095,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -6138,7 +6105,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -6179,18 +6146,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -6204,8 +6171,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.934e-15 - CH4 8.934e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -6229,8 +6196,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -6246,14 +6213,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.792e-12 6.446e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.581e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -6280,21 +6246,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -6318,7 +6284,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -6328,7 +6294,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -6369,18 +6335,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -6394,8 +6360,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.934e-15 - CH4 8.934e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -6419,8 +6385,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -6436,14 +6402,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.792e-12 6.446e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.581e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.259e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -6470,21 +6435,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -6508,7 +6473,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -6518,7 +6483,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -6559,18 +6524,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -6584,8 +6549,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.935e-15 - CH4 8.935e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -6609,8 +6574,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -6626,14 +6591,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.793e-12 6.447e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.582e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -6660,21 +6624,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -6698,7 +6662,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -6708,7 +6672,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -6749,18 +6713,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -6774,8 +6738,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.935e-15 - CH4 8.935e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -6799,8 +6763,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -6816,14 +6780,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.793e-12 6.447e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.582e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.515e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -6850,21 +6813,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -6888,7 +6851,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -6898,7 +6861,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -6939,18 +6902,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -6964,8 +6927,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.936e-15 - CH4 8.936e-15 9.716e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.210e-14 + CH4 4.210e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -6989,8 +6952,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.262e-12 1.372e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -7006,14 +6969,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.700 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.795e-12 6.448e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.215e-12 4.583e-12 -11.375 -11.339 0.036 36.27 - S-2 3.975e-17 9.581e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.018e-24 1.107e-24 -23.992 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.259e-23 2.456e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -7040,21 +7002,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -7078,7 +7040,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -7088,7 +7050,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -7129,18 +7091,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -7154,8 +7116,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.934e-15 - CH4 8.934e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -7179,8 +7141,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -7196,14 +7158,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.792e-12 6.446e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.581e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -7230,21 +7191,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -7268,7 +7229,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -7278,7 +7239,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -7319,18 +7280,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -7344,8 +7305,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.934e-15 - CH4 8.934e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -7369,8 +7330,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -7386,14 +7347,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.793e-12 6.447e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.581e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.515e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -7420,21 +7380,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -7458,7 +7418,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -7468,7 +7428,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -7509,18 +7469,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -7534,8 +7494,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.935e-15 - CH4 8.935e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -7559,8 +7519,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -7576,14 +7536,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.793e-12 6.447e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.582e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -7610,21 +7569,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -7648,7 +7607,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -7658,7 +7617,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -7699,18 +7658,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -7724,8 +7683,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.935e-15 - CH4 8.935e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -7749,8 +7708,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -7766,14 +7725,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.793e-12 6.447e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.582e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.515e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -7800,21 +7758,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -7838,7 +7796,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -7848,7 +7806,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -7889,18 +7847,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -7914,8 +7872,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.934e-15 - CH4 8.934e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.210e-14 + CH4 4.210e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -7939,8 +7897,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -7956,14 +7914,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.792e-12 6.446e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.581e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.259e-23 2.456e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -7990,21 +7947,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -8028,7 +7985,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -8038,7 +7995,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -8079,18 +8036,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -8104,8 +8061,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.936e-15 - CH4 8.936e-15 9.716e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -8129,8 +8086,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.262e-12 1.372e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -8146,14 +8103,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.700 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.795e-12 6.448e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.215e-12 4.582e-12 -11.375 -11.339 0.036 36.27 - S-2 3.975e-17 9.581e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.018e-24 1.107e-24 -23.992 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.515e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -8180,21 +8136,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -8218,7 +8174,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -8228,7 +8184,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -8269,18 +8225,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -8294,8 +8250,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.935e-15 - CH4 8.935e-15 9.714e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -8319,8 +8275,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -8336,14 +8292,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.793e-12 6.447e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.214e-12 4.582e-12 -11.375 -11.339 0.036 36.27 - S-2 3.974e-17 9.579e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -8370,21 +8325,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -8408,7 +8363,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -8418,7 +8373,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -8459,18 +8414,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -8484,8 +8439,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.932e-15 - CH4 8.932e-15 9.711e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.210e-14 + CH4 4.210e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -8509,8 +8464,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -8526,14 +8481,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.400e-11 - HS- 9.790e-12 6.445e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.213e-12 4.580e-12 -11.375 -11.339 0.036 36.27 - S-2 3.973e-17 9.577e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.259e-23 2.456e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -8560,21 +8514,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -8598,7 +8552,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -8608,7 +8562,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -8649,18 +8603,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -8674,8 +8628,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.937e-15 - CH4 8.937e-15 9.716e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -8699,8 +8653,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.262e-12 1.372e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -8716,14 +8670,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.700 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.795e-12 6.448e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.215e-12 4.583e-12 -11.375 -11.339 0.036 36.27 - S-2 3.975e-17 9.581e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.018e-24 1.107e-24 -23.992 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -8750,21 +8703,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -8788,7 +8741,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -8798,7 +8751,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -8839,18 +8792,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -8864,8 +8817,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.937e-15 - CH4 8.937e-15 9.716e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.210e-14 + CH4 4.210e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -8889,8 +8842,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.262e-12 1.372e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -8906,14 +8859,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.700 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.795e-12 6.448e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.215e-12 4.583e-12 -11.375 -11.339 0.036 36.27 - S-2 3.975e-17 9.582e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.018e-24 1.107e-24 -23.992 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.259e-23 2.456e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -8940,21 +8892,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -8978,7 +8930,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -8988,7 +8940,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -9029,18 +8981,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -9054,8 +9006,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.936e-15 - CH4 8.936e-15 9.716e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -9079,8 +9031,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.262e-12 1.372e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -9096,14 +9048,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.700 -68.663 0.036 30.40 -S(-2) 1.401e-11 - HS- 9.795e-12 6.448e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.215e-12 4.583e-12 -11.375 -11.339 0.036 36.27 - S-2 3.975e-17 9.581e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.018e-24 1.107e-24 -23.992 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.515e-17 -15.727 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -9130,21 +9081,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -9168,7 +9119,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.668e-11 Surface + diffuse layer charge, eq + -8.667e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -9178,7 +9129,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -9219,18 +9170,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.734 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.818 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.052e-09 + Electrical balance (eq) = 1.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -9244,8 +9195,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.932e-15 - CH4 8.932e-15 9.712e-15 -14.049 -14.013 0.036 35.46 +C(-4) 4.211e-14 + CH4 4.211e-14 4.578e-14 -13.376 -13.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -9269,8 +9220,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.523e-12 - H2 1.261e-12 1.371e-12 -11.899 -11.863 0.036 28.61 +H(0) 3.717e-12 + H2 1.859e-12 2.021e-12 -11.731 -11.694 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -9286,14 +9237,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.699 -68.663 0.036 30.40 -S(-2) 1.400e-11 - HS- 9.790e-12 6.445e-12 -11.009 -11.191 -0.182 21.14 - H2S 4.213e-12 4.580e-12 -11.375 -11.339 0.036 36.27 - S-2 3.973e-17 9.577e-18 -16.401 -17.019 -0.618 (0) - (H2S)2 1.017e-24 1.106e-24 -23.993 -23.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.036 -69.000 0.036 30.40 +S(-2) 6.601e-11 + HS- 4.615e-11 3.038e-11 -10.336 -10.517 -0.182 21.14 + H2S 1.986e-11 2.159e-11 -10.702 -10.666 0.036 36.27 + S-2 1.873e-16 4.514e-17 -15.728 -16.345 -0.618 (0) + (H2S)2 2.260e-23 2.457e-23 -22.646 -22.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -9320,21 +9270,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.21 -14.01 -2.80 CH4 + CH4(g) -10.54 -13.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.76 -11.86 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.34 -18.28 -7.94 H2S + H2S(g) -9.67 -17.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.77 -68.66 -2.89 O2 + O2(g) -66.11 -69.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.51 -2.63 4.88 S + Sulfur -7.00 -2.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -9364,18 +9314,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -9389,8 +9339,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -9414,8 +9364,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -9435,16 +9385,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -9471,21 +9420,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -9513,18 +9462,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -9538,8 +9487,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -9563,8 +9512,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -9584,16 +9533,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -9620,21 +9568,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -9671,18 +9619,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.710 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.684 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.566e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -9696,8 +9644,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.760e-15 - CH4 5.760e-15 6.262e-15 -14.240 -14.203 0.036 35.46 +C(-4) 3.614e-15 + CH4 3.614e-15 3.929e-15 -14.442 -14.406 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -9721,8 +9669,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.261e-12 - H2 1.130e-12 1.229e-12 -11.947 -11.910 0.036 28.61 +H(0) 2.012e-12 + H2 1.006e-12 1.094e-12 -11.997 -11.961 0.036 28.61 Hto 9.073e-07 Hto 9.073e-07 9.073e-07 -6.042 -6.042 0.000 (0) I 9.468e-07 @@ -9742,16 +9690,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 8.312e-07 Nat+ 8.312e-07 8.312e-07 -6.080 -6.080 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.604 -68.568 0.036 30.40 -S(-2) 9.029e-12 - HS- 6.313e-12 4.156e-12 -11.200 -11.381 -0.182 21.14 - H2S 2.717e-12 2.953e-12 -11.566 -11.530 0.036 36.27 - S-2 2.562e-17 6.175e-18 -16.591 -17.209 -0.618 (0) - (H2S)2 4.228e-25 4.597e-25 -24.374 -24.338 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.503 -68.467 0.036 30.40 +S(-2) 5.666e-12 + HS- 3.961e-12 2.608e-12 -11.402 -11.584 -0.182 21.14 + H2S 1.705e-12 1.853e-12 -11.768 -11.732 0.036 36.27 + S-2 1.607e-17 3.875e-18 -16.794 -17.412 -0.618 (0) + (H2S)2 1.665e-25 1.810e-25 -24.779 -24.742 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -9778,21 +9725,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.40 -14.20 -2.80 CH4 + CH4(g) -11.60 -14.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.81 -11.91 -3.10 H2 + H2(g) -8.86 -11.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.54 -18.47 -7.94 H2S + H2S(g) -10.74 -18.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.68 -68.57 -2.89 O2 + O2(g) -65.57 -68.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.65 -2.77 4.88 S + Sulfur -7.80 -2.92 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -9816,7 +9763,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.020e-13 Surface + diffuse layer charge, eq + -1.006e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -9826,7 +9773,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -9837,12 +9784,12 @@ Su Ca 7.1884e-02 Cl 4.6666e-10 H 1.2947e-04 - Hto 2.2517e-08 - I 2.5954e-20 + Hto 2.2516e-08 + I 2.5957e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.9067e-08 + Nat 6.9065e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -9873,18 +9820,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.869 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.864 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.038e-09 + Electrical balance (eq) = 1.779e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (20 overall) Total H = 1.307864e+01 @@ -9898,8 +9845,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.077e-13 - CH4 1.077e-13 1.171e-13 -12.968 -12.931 0.036 35.46 +C(-4) 9.958e-14 + CH4 9.958e-14 1.083e-13 -13.002 -12.966 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -9923,8 +9870,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.701e-12 - H2 2.350e-12 2.555e-12 -11.629 -11.593 0.036 28.61 +H(0) 4.610e-12 + H2 2.305e-12 2.506e-12 -11.637 -11.601 0.036 28.61 Hto 1.908e-07 Hto 1.908e-07 1.908e-07 -6.719 -6.719 0.000 (0) I 2.203e-07 @@ -9944,16 +9891,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.175e-07 Nat+ 1.175e-07 1.175e-07 -6.930 -6.930 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.240 -69.204 0.036 30.40 -S(-2) 1.688e-10 - HS- 1.180e-10 7.771e-11 -9.928 -10.110 -0.182 21.14 - H2S 5.079e-11 5.523e-11 -10.294 -10.258 0.036 36.27 - S-2 4.790e-16 1.155e-16 -15.320 -15.938 -0.618 (0) - (H2S)2 1.478e-22 1.607e-22 -21.830 -21.794 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.223 -69.187 0.036 30.40 +S(-2) 1.561e-10 + HS- 1.091e-10 7.185e-11 -9.962 -10.144 -0.182 21.14 + H2S 4.697e-11 5.106e-11 -10.328 -10.292 0.036 36.27 + S-2 4.429e-16 1.068e-16 -15.354 -15.972 -0.618 (0) + (H2S)2 1.264e-22 1.374e-22 -21.898 -21.862 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -9980,21 +9926,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.13 -12.93 -2.80 CH4 + CH4(g) -10.16 -12.97 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.49 -11.59 -3.10 H2 + H2(g) -8.50 -11.60 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.26 -17.20 -7.94 H2S + H2S(g) -9.30 -17.23 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.31 -69.20 -2.89 O2 + O2(g) -66.29 -69.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.70 -1.82 4.88 S + Sulfur -6.72 -1.84 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -10018,7 +9964,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.725e-11 Surface + diffuse layer charge, eq + 1.409e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -10028,7 +9974,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -10039,8 +9985,8 @@ Su Ca 7.1884e-02 Cl 4.6666e-10 H 1.2947e-04 - Hto 6.7065e-10 - I 6.5916e-22 + Hto 6.7062e-10 + I 6.5937e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -10063,7 +10009,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.683e-09 6.696e-10 + Hto 5.683e-09 6.695e-10 I 5.595e-09 6.592e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -10075,20 +10021,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 11.960 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.852 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.527e-09 + Electrical balance (eq) = 3.192e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (14 overall) + Iterations = 0 (18 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -10100,8 +10046,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -131.601 -131.565 0.036 35.46 +C(-4) 7.937e-14 + CH4 7.937e-14 8.629e-14 -13.100 -13.064 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -10125,8 +10071,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.287 -41.251 0.036 28.61 +H(0) 4.356e-12 + H2 2.178e-12 2.368e-12 -11.662 -11.626 0.036 28.61 Hto 5.683e-09 Hto 5.683e-09 5.683e-09 -8.245 -8.245 0.000 (0) I 5.595e-09 @@ -10146,16 +10092,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.105e-09 Nat+ 2.105e-09 2.105e-09 -8.677 -8.677 -0.000 (0) -O(0) 2.386e-10 - O2 1.193e-10 1.297e-10 -9.923 -9.887 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -128.561 -128.743 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -128.928 -128.891 0.036 36.27 - S-2 0.000e+00 0.000e+00 -133.953 -134.571 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -259.097 -259.061 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -69.174 -69.137 0.036 30.40 +S(-2) 1.244e-10 + HS- 8.699e-11 5.727e-11 -10.061 -10.242 -0.182 21.14 + H2S 3.743e-11 4.070e-11 -10.427 -10.390 0.036 36.27 + S-2 3.530e-16 8.509e-17 -15.452 -16.070 -0.618 (0) + (H2S)2 8.028e-23 8.728e-23 -22.095 -22.059 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -10182,21 +10127,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -128.76 -131.56 -2.80 CH4 + CH4(g) -10.26 -13.06 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -38.15 -41.25 -3.10 H2 + H2(g) -8.52 -11.63 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -127.90 -135.83 -7.94 H2S + H2S(g) -9.40 -17.33 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -6.99 -9.89 -2.89 O2 + O2(g) -66.25 -69.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -95.67 -90.79 4.88 S + Sulfur -6.80 -1.91 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -10220,7 +10165,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -1.275e-13 Surface + diffuse layer charge, eq + -8.668e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -10230,7 +10175,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -10271,20 +10216,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.994 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.958e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (19 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -10296,8 +10241,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.085e-12 - CH4 1.085e-12 1.180e-12 -11.964 -11.928 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -10321,8 +10266,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.376e-12 - H2 4.188e-12 4.553e-12 -11.378 -11.342 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -10338,14 +10283,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.742 -69.705 0.036 30.40 -S(-2) 1.702e-09 - HS- 1.190e-09 7.832e-10 -8.925 -9.106 -0.182 21.14 - H2S 5.119e-10 5.566e-10 -9.291 -9.254 0.036 36.27 - S-2 4.828e-15 1.164e-15 -14.316 -14.934 -0.618 (0) - (H2S)2 1.501e-20 1.632e-20 -19.824 -19.787 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -10372,21 +10316,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.13 -11.93 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.20 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -10410,7 +10354,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -1.358e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -10420,7 +10364,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -10461,20 +10405,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -10486,8 +10430,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.100e-12 - CH4 1.100e-12 1.196e-12 -11.959 -11.922 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -10511,8 +10455,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.404e-12 - H2 4.202e-12 4.569e-12 -11.377 -11.340 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -10528,14 +10472,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.745 -69.708 0.036 30.40 -S(-2) 1.725e-09 - HS- 1.206e-09 7.937e-10 -8.919 -9.100 -0.182 21.14 - H2S 5.188e-10 5.641e-10 -9.285 -9.249 0.036 36.27 - S-2 4.893e-15 1.179e-15 -14.310 -14.928 -0.618 (0) - (H2S)2 1.542e-20 1.677e-20 -19.812 -19.776 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -10562,21 +10505,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.25 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -10600,7 +10543,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -1.312e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -10610,7 +10553,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -10651,20 +10594,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -10676,8 +10619,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.093e-12 - CH4 1.093e-12 1.188e-12 -11.961 -11.925 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -10701,8 +10644,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.391e-12 - H2 4.195e-12 4.561e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -10718,14 +10661,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.743 -69.707 0.036 30.40 -S(-2) 1.714e-09 - HS- 1.198e-09 7.887e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.156e-10 5.605e-10 -9.288 -9.251 0.036 36.27 - S-2 4.862e-15 1.172e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.523e-20 1.656e-20 -19.817 -19.781 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -10752,21 +10694,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.93 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -10790,7 +10732,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -1.333e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -10800,7 +10742,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -10841,20 +10783,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -10866,8 +10808,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.192e-12 -11.960 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -10891,8 +10833,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.396e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -10908,14 +10850,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.708 0.036 30.40 -S(-2) 1.718e-09 - HS- 1.201e-09 7.909e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.169e-10 5.620e-10 -9.287 -9.250 0.036 36.27 - S-2 4.875e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.531e-20 1.665e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -10942,21 +10883,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -10980,7 +10921,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -1.324e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -10990,7 +10931,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -11031,20 +10972,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -11056,8 +10997,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.190e-12 -11.961 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -11081,8 +11022,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.394e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -11098,14 +11039,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.716e-09 - HS- 1.200e-09 7.899e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.163e-10 5.614e-10 -9.287 -9.251 0.036 36.27 - S-2 4.870e-15 1.174e-15 -14.313 -14.930 -0.618 (0) - (H2S)2 1.527e-20 1.661e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -11132,21 +11072,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -11170,7 +11110,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -1.313e-13 Surface + diffuse layer charge, eq + -8.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -11180,7 +11120,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -11221,20 +11161,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -11246,8 +11186,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.190e-12 -11.961 -11.925 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -11271,8 +11211,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.393e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -11288,14 +11228,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.716e-09 - HS- 1.199e-09 7.896e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.161e-10 5.611e-10 -9.287 -9.251 0.036 36.27 - S-2 4.868e-15 1.173e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.526e-20 1.659e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -11322,21 +11261,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -11360,7 +11299,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -1.336e-13 Surface + diffuse layer charge, eq + -8.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -11370,7 +11309,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -11411,20 +11350,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -11436,8 +11375,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.191e-12 -11.960 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -11461,8 +11400,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.396e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -11478,14 +11417,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.718e-09 - HS- 1.201e-09 7.906e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.168e-10 5.618e-10 -9.287 -9.250 0.036 36.27 - S-2 4.874e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.530e-20 1.663e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -11512,21 +11450,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -11550,7 +11488,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -1.328e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -11560,7 +11498,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -11601,20 +11539,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -11626,8 +11564,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.191e-12 -11.961 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -11651,8 +11589,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.394e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -11668,14 +11606,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.200e-09 7.901e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.164e-10 5.615e-10 -9.287 -9.251 0.036 36.27 - S-2 4.871e-15 1.174e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.528e-20 1.661e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -11702,21 +11639,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -11740,7 +11677,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -1.333e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -11750,7 +11687,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -11791,20 +11728,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -11816,8 +11753,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.191e-12 -11.961 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -11841,8 +11778,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.395e-12 - H2 4.197e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -11858,14 +11795,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.200e-09 7.902e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.165e-10 5.616e-10 -9.287 -9.251 0.036 36.27 - S-2 4.871e-15 1.174e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.529e-20 1.662e-20 -19.816 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -11892,21 +11828,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -11930,7 +11866,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -1.331e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -11940,7 +11876,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -11981,20 +11917,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -12006,8 +11942,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.191e-12 -11.961 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -12031,8 +11967,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.395e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -12048,14 +11984,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.200e-09 7.902e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.165e-10 5.615e-10 -9.287 -9.251 0.036 36.27 - S-2 4.871e-15 1.174e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.528e-20 1.662e-20 -19.816 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -12082,21 +12017,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -12120,7 +12055,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -1.322e-13 Surface + diffuse layer charge, eq + -8.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -12130,7 +12065,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -12171,20 +12106,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -12196,8 +12131,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.191e-12 -11.960 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -12221,8 +12156,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.395e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -12238,14 +12173,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.201e-09 7.904e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.166e-10 5.617e-10 -9.287 -9.251 0.036 36.27 - S-2 4.872e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.529e-20 1.663e-20 -19.816 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -12272,21 +12206,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -12310,7 +12244,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -1.314e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -12320,7 +12254,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -12361,20 +12295,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -12386,8 +12320,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.189e-12 -11.961 -11.925 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -12411,8 +12345,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.393e-12 - H2 4.196e-12 4.562e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -12428,14 +12362,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.743 -69.707 0.036 30.40 -S(-2) 1.715e-09 - HS- 1.199e-09 7.894e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.160e-10 5.610e-10 -9.287 -9.251 0.036 36.27 - S-2 4.866e-15 1.173e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.525e-20 1.658e-20 -19.817 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -12462,21 +12395,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -12500,7 +12433,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -1.338e-13 Surface + diffuse layer charge, eq + -8.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -12510,7 +12443,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -12551,20 +12484,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -12576,8 +12509,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.191e-12 -11.960 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -12601,8 +12534,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.396e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -12618,14 +12551,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.718e-09 - HS- 1.201e-09 7.905e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.167e-10 5.618e-10 -9.287 -9.250 0.036 36.27 - S-2 4.873e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.530e-20 1.663e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -12652,21 +12584,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -12690,7 +12622,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -1.353e-13 Surface + diffuse layer charge, eq + -8.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -12700,7 +12632,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -12741,20 +12673,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -12766,8 +12698,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.192e-12 -11.960 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -12791,8 +12723,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.397e-12 - H2 4.198e-12 4.565e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -12808,14 +12740,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.708 0.036 30.40 -S(-2) 1.719e-09 - HS- 1.202e-09 7.910e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.170e-10 5.621e-10 -9.286 -9.250 0.036 36.27 - S-2 4.876e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.532e-20 1.665e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -12842,21 +12773,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -12880,7 +12811,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -1.318e-13 Surface + diffuse layer charge, eq + -8.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -12890,7 +12821,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -12931,20 +12862,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -12956,8 +12887,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.189e-12 -11.961 -11.925 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -12981,8 +12912,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.392e-12 - H2 4.196e-12 4.562e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -12998,14 +12929,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.743 -69.707 0.036 30.40 -S(-2) 1.714e-09 - HS- 1.199e-09 7.890e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.157e-10 5.607e-10 -9.288 -9.251 0.036 36.27 - S-2 4.864e-15 1.172e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.524e-20 1.657e-20 -19.817 -19.781 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -13032,21 +12962,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -13070,7 +13000,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -1.331e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -13080,7 +13010,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -13121,20 +13051,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -13146,8 +13076,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.190e-12 -11.961 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -13171,8 +13101,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.394e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -13188,14 +13118,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.716e-09 - HS- 1.200e-09 7.898e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.163e-10 5.613e-10 -9.287 -9.251 0.036 36.27 - S-2 4.869e-15 1.174e-15 -14.313 -14.930 -0.618 (0) - (H2S)2 1.527e-20 1.660e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -13222,21 +13151,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -13260,7 +13189,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -1.328e-13 Surface + diffuse layer charge, eq + -8.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -13270,7 +13199,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -13311,20 +13240,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -13336,8 +13265,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.190e-12 -11.961 -11.925 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -13361,8 +13290,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.393e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -13378,14 +13307,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.716e-09 - HS- 1.199e-09 7.896e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.161e-10 5.611e-10 -9.287 -9.251 0.036 36.27 - S-2 4.868e-15 1.173e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.526e-20 1.659e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -13412,21 +13340,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -13450,7 +13378,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -1.338e-13 Surface + diffuse layer charge, eq + -8.675e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -13460,7 +13388,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -13501,20 +13429,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (20 overall) + Iterations = 0 (14 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -13526,8 +13454,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.097e-12 - CH4 1.097e-12 1.192e-12 -11.960 -11.924 0.036 35.46 +C(-4) 1.061e-12 + CH4 1.061e-12 1.153e-12 -11.974 -11.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -13551,8 +13479,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.398e-12 - H2 4.199e-12 4.565e-12 -11.377 -11.341 0.036 28.61 +H(0) 8.328e-12 + H2 4.164e-12 4.527e-12 -11.381 -11.344 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -13568,14 +13496,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.708 0.036 30.40 -S(-2) 1.719e-09 - HS- 1.202e-09 7.914e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.173e-10 5.624e-10 -9.286 -9.250 0.036 36.27 - S-2 4.878e-15 1.176e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.533e-20 1.667e-20 -19.814 -19.778 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.737 -69.700 0.036 30.40 +S(-2) 1.663e-09 + HS- 1.162e-09 7.653e-10 -8.935 -9.116 -0.182 21.14 + H2S 5.002e-10 5.438e-10 -9.301 -9.265 0.036 36.27 + S-2 4.718e-15 1.137e-15 -14.326 -14.944 -0.618 (0) + (H2S)2 1.433e-20 1.559e-20 -19.844 -19.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -13602,21 +13529,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -9.14 -11.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -8.27 -16.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.81 -69.70 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.95 -1.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -13646,18 +13573,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -13671,8 +13598,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -13696,8 +13623,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -13717,16 +13644,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -13753,21 +13679,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -13795,18 +13721,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -13820,8 +13746,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -13845,8 +13771,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -13866,16 +13792,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -13902,21 +13827,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -13953,18 +13878,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.729 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.712 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -13978,8 +13903,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.281e-15 - CH4 8.281e-15 9.003e-15 -14.082 -14.046 0.036 35.46 +C(-4) 5.997e-15 + CH4 5.997e-15 6.520e-15 -14.222 -14.186 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -14003,8 +13928,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.475e-12 - H2 1.238e-12 1.346e-12 -11.907 -11.871 0.036 28.61 +H(0) 2.284e-12 + H2 1.142e-12 1.241e-12 -11.942 -11.906 0.036 28.61 Hto 8.713e-07 Hto 8.713e-07 8.713e-07 -6.060 -6.060 0.000 (0) I 9.259e-07 @@ -14024,16 +13949,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 7.659e-07 Nat+ 7.659e-07 7.659e-07 -6.116 -6.116 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.683 -68.647 0.036 30.40 -S(-2) 1.298e-11 - HS- 9.076e-12 5.975e-12 -11.042 -11.224 -0.182 21.14 - H2S 3.905e-12 4.246e-12 -11.408 -11.372 0.036 36.27 - S-2 3.683e-17 8.878e-18 -16.434 -17.052 -0.618 (0) - (H2S)2 8.739e-25 9.501e-25 -24.059 -24.022 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.613 -68.577 0.036 30.40 +S(-2) 9.401e-12 + HS- 6.573e-12 4.327e-12 -11.182 -11.364 -0.182 21.14 + H2S 2.828e-12 3.075e-12 -11.548 -11.512 0.036 36.27 + S-2 2.667e-17 6.429e-18 -16.574 -17.192 -0.618 (0) + (H2S)2 4.583e-25 4.983e-25 -24.339 -24.303 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -14060,21 +13984,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.24 -14.05 -2.80 CH4 + CH4(g) -11.38 -14.19 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.77 -11.87 -3.10 H2 + H2(g) -8.81 -11.91 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.38 -18.31 -7.94 H2S + H2S(g) -10.52 -18.45 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.75 -68.65 -2.89 O2 + O2(g) -65.68 -68.58 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.53 -2.65 4.88 S + Sulfur -7.64 -2.76 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -14098,7 +14022,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.054e-13 Surface + diffuse layer charge, eq + -1.039e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -14108,7 +14032,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -14124,7 +14048,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.4082e-08 + Nat 9.4080e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -14155,18 +14079,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.875 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.873 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.034e-09 + Electrical balance (eq) = 1.776e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (20 overall) Total H = 1.307864e+01 @@ -14180,15 +14104,15 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.205e-13 - CH4 1.205e-13 1.310e-13 -12.919 -12.883 0.036 35.46 +C(-4) 1.161e-13 + CH4 1.161e-13 1.262e-13 -12.935 -12.899 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 @@ -14199,14 +14123,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.834e-12 - H2 2.417e-12 2.628e-12 -11.617 -11.580 0.036 28.61 +H(0) 4.790e-12 + H2 2.395e-12 2.604e-12 -11.621 -11.584 0.036 28.61 Hto 2.573e-07 Hto 2.573e-07 2.573e-07 -6.589 -6.589 0.000 (0) I 2.992e-07 @@ -14226,16 +14150,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.601e-07 Nat+ 1.601e-07 1.601e-07 -6.796 -6.796 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.264 -69.228 0.036 30.40 -S(-2) 1.888e-10 - HS- 1.320e-10 8.691e-11 -9.879 -10.061 -0.182 21.14 - H2S 5.681e-11 6.177e-11 -10.246 -10.209 0.036 36.27 - S-2 5.358e-16 1.291e-16 -15.271 -15.889 -0.618 (0) - (H2S)2 1.849e-22 2.010e-22 -21.733 -21.697 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.256 -69.220 0.036 30.40 +S(-2) 1.819e-10 + HS- 1.272e-10 8.374e-11 -9.896 -10.077 -0.182 21.14 + H2S 5.474e-11 5.951e-11 -10.262 -10.225 0.036 36.27 + S-2 5.162e-16 1.244e-16 -15.287 -15.905 -0.618 (0) + (H2S)2 1.717e-22 1.866e-22 -21.765 -21.729 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -14262,21 +14185,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.08 -12.88 -2.80 CH4 + CH4(g) -10.10 -12.90 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.48 -11.58 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.21 -17.15 -7.94 H2S + H2S(g) -9.23 -17.17 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.34 -69.23 -2.89 O2 + O2(g) -66.33 -69.22 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.66 -1.78 4.88 S + Sulfur -6.67 -1.79 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -14300,7 +14223,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.741e-11 Surface + diffuse layer charge, eq + 1.275e-09 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -14310,7 +14233,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -14321,12 +14244,12 @@ Su Ca 7.1884e-02 Cl 4.6666e-10 H 1.2947e-04 - Hto 1.7995e-09 + Hto 1.7994e-09 I 1.7877e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3979e-09 + Nat 3.3978e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -14350,27 +14273,27 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.782e-09 6.812e-10 + Nat 5.782e-09 6.811e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = 12.015 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.874 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.759e-09 + Electrical balance (eq) = 4.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (14 overall) + Iterations = 0 (18 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -14382,8 +14305,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -132.040 -132.003 0.036 35.46 +C(-4) 1.184e-13 + CH4 1.184e-13 1.287e-13 -12.927 -12.890 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -14407,8 +14330,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.397 -41.360 0.036 28.61 +H(0) 4.814e-12 + H2 2.407e-12 2.617e-12 -11.619 -11.582 0.036 28.61 Hto 1.525e-08 Hto 1.525e-08 1.525e-08 -7.817 -7.817 0.000 (0) I 1.517e-08 @@ -14428,16 +14351,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.782e-09 Nat+ 5.782e-09 5.782e-09 -8.238 -8.238 -0.000 (0) -O(0) 3.952e-10 - O2 1.976e-10 2.149e-10 -9.704 -9.668 0.036 30.40 -S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -129.000 -129.181 -0.182 21.14 - H2S 0.000e+00 0.000e+00 -129.366 -129.330 0.036 36.27 - S-2 0.000e+00 0.000e+00 -134.391 -135.009 -0.618 (0) - (H2S)2 0.000e+00 0.000e+00 -259.974 -259.937 0.036 30.09 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -69.261 -69.224 0.036 30.40 +S(-2) 1.856e-10 + HS- 1.298e-10 8.542e-11 -9.887 -10.068 -0.182 21.14 + H2S 5.584e-11 6.071e-11 -10.253 -10.217 0.036 36.27 + S-2 5.266e-16 1.269e-16 -15.279 -15.896 -0.618 (0) + (H2S)2 1.786e-22 1.942e-22 -21.748 -21.712 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -14464,21 +14386,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -129.20 -132.00 -2.80 CH4 + CH4(g) -10.09 -12.89 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -38.26 -41.36 -3.10 H2 + H2(g) -8.48 -11.58 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -128.34 -136.27 -7.94 H2S + H2S(g) -9.22 -17.16 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -6.78 -9.67 -2.89 O2 + O2(g) -66.33 -69.22 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -96.00 -91.12 4.88 S + Sulfur -6.67 -1.78 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -14512,7 +14434,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -14521,14 +14443,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 - Hto 3.5751e-11 + Hto 3.5749e-11 I 3.0192e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.0146e-11 + Nat 4.0143e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -14552,25 +14474,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.831e-11 8.048e-12 + Nat 6.831e-11 8.047e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.992 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.964e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -14584,33 +14506,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.035e-12 - CH4 1.035e-12 1.126e-12 -11.985 -11.949 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.278e-12 - H2 4.139e-12 4.500e-12 -11.383 -11.347 0.036 28.61 +H(0) 9.855e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 Hto 3.030e-10 Hto 3.030e-10 3.030e-10 -9.519 -9.519 0.000 (0) I 2.563e-10 @@ -14618,7 +14540,7 @@ I 2.563e-10 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -14630,16 +14552,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 6.831e-11 Nat+ 6.831e-11 6.831e-11 -10.166 -10.166 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.732 -69.695 0.036 30.40 -S(-2) 1.623e-09 - HS- 1.135e-09 7.471e-10 -8.945 -9.127 -0.182 21.14 - H2S 4.883e-10 5.309e-10 -9.311 -9.275 0.036 36.27 - S-2 4.606e-15 1.110e-15 -14.337 -14.955 -0.618 (0) - (H2S)2 1.366e-20 1.485e-20 -19.864 -19.828 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.511e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -14648,13 +14569,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -14666,21 +14587,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.15 -11.95 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.25 -11.35 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.28 -16.22 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.80 -69.70 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.96 -1.08 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -14704,7 +14625,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -14714,7 +14635,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -14723,7 +14644,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -14755,18 +14676,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.994 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -14780,37 +14701,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.091e-12 - CH4 1.091e-12 1.186e-12 -11.962 -11.926 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.387e-12 - H2 4.193e-12 4.559e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -14822,14 +14743,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.743 -69.707 0.036 30.40 -S(-2) 1.711e-09 - HS- 1.196e-09 7.873e-10 -8.922 -9.104 -0.182 21.14 - H2S 5.146e-10 5.595e-10 -9.289 -9.252 0.036 36.27 - S-2 4.853e-15 1.170e-15 -14.314 -14.932 -0.618 (0) - (H2S)2 1.517e-20 1.650e-20 -19.819 -19.783 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -14838,13 +14758,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -14856,21 +14776,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.93 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -14894,7 +14814,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -14904,7 +14824,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -14913,7 +14833,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -14945,18 +14865,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -14970,37 +14890,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.097e-12 - CH4 1.097e-12 1.193e-12 -11.960 -11.923 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.398e-12 - H2 4.199e-12 4.565e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -15012,14 +14932,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.708 0.036 30.40 -S(-2) 1.720e-09 - HS- 1.202e-09 7.916e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.174e-10 5.625e-10 -9.286 -9.250 0.036 36.27 - S-2 4.880e-15 1.176e-15 -14.312 -14.929 -0.618 (0) - (H2S)2 1.534e-20 1.668e-20 -19.814 -19.778 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -15028,13 +14947,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -15046,21 +14965,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -15084,7 +15003,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -15094,7 +15013,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -15103,7 +15022,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -15135,18 +15054,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -15160,37 +15079,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.190e-12 -11.961 -11.925 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.393e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -15202,14 +15121,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.716e-09 - HS- 1.199e-09 7.896e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.161e-10 5.611e-10 -9.287 -9.251 0.036 36.27 - S-2 4.867e-15 1.173e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.526e-20 1.659e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -15218,13 +15136,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -15236,21 +15154,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -15274,7 +15192,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -15284,7 +15202,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -15293,7 +15211,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -15325,18 +15243,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -15350,37 +15268,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.191e-12 -11.960 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.395e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -15392,14 +15310,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.201e-09 7.905e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.167e-10 5.618e-10 -9.287 -9.250 0.036 36.27 - S-2 4.873e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.529e-20 1.663e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -15408,13 +15325,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -15426,21 +15343,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -15464,7 +15381,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -15474,7 +15391,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -15483,7 +15400,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -15515,18 +15432,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -15540,37 +15457,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.189e-12 -11.961 -11.925 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.392e-12 - H2 4.196e-12 4.562e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -15582,14 +15499,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.743 -69.707 0.036 30.40 -S(-2) 1.715e-09 - HS- 1.199e-09 7.893e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.159e-10 5.609e-10 -9.287 -9.251 0.036 36.27 - S-2 4.866e-15 1.173e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.525e-20 1.658e-20 -19.817 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.223 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -15598,13 +15514,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -15616,21 +15532,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -15654,7 +15570,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -15664,7 +15580,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -15673,7 +15589,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -15705,18 +15621,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -15730,37 +15646,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.191e-12 -11.960 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.396e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -15772,14 +15688,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.708 0.036 30.40 -S(-2) 1.718e-09 - HS- 1.201e-09 7.907e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.168e-10 5.619e-10 -9.287 -9.250 0.036 36.27 - S-2 4.874e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.530e-20 1.664e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -15788,13 +15703,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -15806,21 +15721,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -15844,7 +15759,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -15854,7 +15769,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -15863,7 +15778,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -15895,18 +15810,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -15920,37 +15835,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.190e-12 -11.961 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.394e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -15962,14 +15877,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.200e-09 7.900e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.164e-10 5.614e-10 -9.287 -9.251 0.036 36.27 - S-2 4.870e-15 1.174e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.528e-20 1.661e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -15978,13 +15892,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -15996,21 +15910,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -16034,7 +15948,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -16044,7 +15958,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -16053,7 +15967,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -16085,18 +15999,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -16110,37 +16024,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.191e-12 -11.961 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.395e-12 - H2 4.197e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -16152,14 +16066,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.200e-09 7.902e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.165e-10 5.616e-10 -9.287 -9.251 0.036 36.27 - S-2 4.871e-15 1.174e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.529e-20 1.662e-20 -19.816 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -16168,13 +16081,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -16186,21 +16099,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -16224,7 +16137,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -16234,7 +16147,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -16243,7 +16156,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -16275,18 +16188,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -16300,37 +16213,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.191e-12 -11.961 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.395e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -16342,14 +16255,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.200e-09 7.901e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.165e-10 5.615e-10 -9.287 -9.251 0.036 36.27 - S-2 4.871e-15 1.174e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.528e-20 1.661e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -16358,13 +16270,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -16376,21 +16288,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -16414,7 +16326,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.696e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -16424,7 +16336,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -16433,7 +16345,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -16465,18 +16377,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -16490,37 +16402,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.191e-12 -11.960 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.395e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -16532,14 +16444,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.717e-09 - HS- 1.201e-09 7.904e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.166e-10 5.617e-10 -9.287 -9.251 0.036 36.27 - S-2 4.872e-15 1.174e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.529e-20 1.662e-20 -19.816 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.223 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -16548,13 +16459,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -16566,21 +16477,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -16604,7 +16515,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -16614,7 +16525,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -16623,7 +16534,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -16655,18 +16566,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -16680,37 +16591,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.189e-12 -11.961 -11.925 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.393e-12 - H2 4.196e-12 4.562e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -16722,14 +16633,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.743 -69.707 0.036 30.40 -S(-2) 1.715e-09 - HS- 1.199e-09 7.894e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.160e-10 5.610e-10 -9.287 -9.251 0.036 36.27 - S-2 4.866e-15 1.173e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.525e-20 1.658e-20 -19.817 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -16738,13 +16648,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -16756,21 +16666,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -16794,7 +16704,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -16804,7 +16714,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -16813,7 +16723,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -16845,18 +16755,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -16870,37 +16780,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.191e-12 -11.960 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.396e-12 - H2 4.198e-12 4.564e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -16912,14 +16822,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.718e-09 - HS- 1.201e-09 7.905e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.167e-10 5.618e-10 -9.287 -9.250 0.036 36.27 - S-2 4.873e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.530e-20 1.663e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -16928,13 +16837,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -16946,21 +16855,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -16984,7 +16893,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.696e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -16994,7 +16903,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -17003,7 +16912,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -17035,18 +16944,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -17060,37 +16969,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.096e-12 - CH4 1.096e-12 1.192e-12 -11.960 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.397e-12 - H2 4.198e-12 4.565e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -17102,14 +17011,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.708 0.036 30.40 -S(-2) 1.719e-09 - HS- 1.202e-09 7.910e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.170e-10 5.621e-10 -9.286 -9.250 0.036 36.27 - S-2 4.876e-15 1.175e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.531e-20 1.665e-20 -19.815 -19.779 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.223 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -17118,13 +17026,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -17136,21 +17044,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -17174,7 +17082,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -17184,7 +17092,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -17193,7 +17101,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -17225,18 +17133,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -17250,37 +17158,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.189e-12 -11.961 -11.925 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.392e-12 - H2 4.196e-12 4.562e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -17292,14 +17200,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.743 -69.707 0.036 30.40 -S(-2) 1.714e-09 - HS- 1.199e-09 7.890e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.157e-10 5.607e-10 -9.288 -9.251 0.036 36.27 - S-2 4.864e-15 1.172e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.524e-20 1.657e-20 -19.817 -19.781 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -17308,13 +17215,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -17326,21 +17233,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -17364,7 +17271,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.696e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -17374,7 +17281,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -17383,7 +17290,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -17415,18 +17322,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -17440,37 +17347,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.095e-12 - CH4 1.095e-12 1.190e-12 -11.961 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.394e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -17482,14 +17389,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.716e-09 - HS- 1.200e-09 7.898e-10 -8.921 -9.102 -0.182 21.14 - H2S 5.163e-10 5.613e-10 -9.287 -9.251 0.036 36.27 - S-2 4.869e-15 1.174e-15 -14.313 -14.930 -0.618 (0) - (H2S)2 1.527e-20 1.660e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -17498,13 +17404,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -17516,21 +17422,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -17554,7 +17460,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.696e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -17564,7 +17470,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -17573,7 +17479,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -17605,18 +17511,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.957e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -17630,37 +17536,37 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.094e-12 - CH4 1.094e-12 1.190e-12 -11.961 -11.925 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.393e-12 - H2 4.197e-12 4.563e-12 -11.377 -11.341 0.036 28.61 +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -17672,14 +17578,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.707 0.036 30.40 -S(-2) 1.715e-09 - HS- 1.199e-09 7.896e-10 -8.921 -9.103 -0.182 21.14 - H2S 5.161e-10 5.611e-10 -9.287 -9.251 0.036 36.27 - S-2 4.867e-15 1.173e-15 -14.313 -14.931 -0.618 (0) - (H2S)2 1.526e-20 1.659e-20 -19.816 -19.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -17688,13 +17593,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -17706,21 +17611,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 + CH4(g) -8.84 -11.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.95 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -17744,7 +17649,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.697e-11 Surface + diffuse layer charge, eq + -8.703e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -17754,7 +17659,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -17763,7 +17668,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6662e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -17795,18 +17700,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.029 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.956e-09 + Electrical balance (eq) = 1.614e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -17820,33 +17725,181 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.097e-12 - CH4 1.097e-12 1.192e-12 -11.960 -11.924 0.036 35.46 +C(-4) 2.080e-12 + CH4 2.080e-12 2.261e-12 -11.682 -11.646 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 +Ca 2.590e-02 + Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) +Cl 3.000e-01 + Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 + HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) +H(0) 9.854e-12 + H2 4.927e-12 5.357e-12 -11.307 -11.271 0.036 28.61 +K 1.540e-03 + K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 +Mg 1.720e-02 + Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) +Na 2.390e-01 + Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -69.883 -69.847 0.036 30.40 +S(-2) 3.260e-09 + HS- 2.279e-09 1.500e-09 -8.642 -8.824 -0.182 21.14 + H2S 9.807e-10 1.066e-09 -9.008 -8.972 0.036 36.27 + S-2 9.250e-15 2.230e-15 -14.034 -14.652 -0.618 (0) + (H2S)2 5.510e-20 5.991e-20 -19.259 -19.222 0.036 30.09 +S(6) 1.260e-02 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) +Sr 5.000e-04 + Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Anhydrite -0.81 -5.09 -4.28 CaSO4 + Aragonite 0.10 -8.23 -8.34 CaCO3 + Arcanite -7.03 -8.91 -1.88 K2SO4 + Calcite 0.25 -8.23 -8.48 CaCO3 + Celestite -0.15 -6.81 -6.66 SrSO4 + CH4(g) -8.84 -11.65 -2.80 CH4 + CO2(g) -2.09 -3.56 -1.47 CO2 + Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 + Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O + Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O + H2(g) -8.17 -11.27 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + H2S(g) -7.98 -15.91 -7.94 H2S + Halite -3.04 -1.47 1.57 NaCl + Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O + Kieserite -4.08 -5.24 -1.16 MgSO4:H2O + Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O + O2(g) -66.95 -69.85 -2.89 O2 + Strontianite -0.68 -9.95 -9.27 SrCO3 + Sulfur -5.73 -0.85 4.88 S + Sylvite -4.59 -3.69 0.90 KCl + Thenardite -4.16 -4.46 -0.30 Na2SO4 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 4. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 4. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + C 2.744e-03 1.372e-03 + Ca 2.590e-02 1.295e-02 + Cl 3.000e-01 1.500e-01 + Hto 1.000e-06 5.000e-07 + I 1.000e-06 5.000e-07 + K 1.540e-03 7.700e-04 + Mg 1.720e-02 8.600e-03 + Na 2.390e-01 1.195e-01 + Nat 1.000e-06 5.000e-07 + S 1.260e-02 6.300e-03 + Sr 5.000e-04 2.500e-04 + +----------------------------Description of solution---------------------------- + + pH = 7.090 Charge balance + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 + Density (g/cm³) = 1.01108 + Volume (L) = 0.50395 + Viscosity (mPa s) = 0.92733 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.632e-01 + Mass of water (kg) = 5.000e-01 + Total alkalinity (eq/kg) = 2.500e-03 + Total CO2 (mol/kg) = 2.744e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.177e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 0 + Total H = 5.550745e+01 + Total O = 2.778229e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 +C(4) 2.744e-03 + HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.398e-12 - H2 4.199e-12 4.565e-12 -11.377 -11.341 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 +Hto 1.000e-06 + Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) +I 1.000e-06 + I- 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -17856,22 +17909,23 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 +Nat 1.000e-06 + Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.744 -69.708 0.036 30.40 -S(-2) 1.719e-09 - HS- 1.202e-09 7.913e-10 -8.920 -9.102 -0.182 21.14 - H2S 5.172e-10 5.624e-10 -9.286 -9.250 0.036 36.27 - S-2 4.878e-15 1.176e-15 -14.312 -14.930 -0.618 (0) - (H2S)2 1.533e-20 1.667e-20 -19.815 -19.778 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -17896,172 +17950,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.12 -11.92 -2.80 CH4 - CO2(g) -2.09 -3.56 -1.47 CO2 - Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 - Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O - Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.19 -7.94 H2S - Halite -3.04 -1.47 1.57 NaCl - Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O - Kieserite -4.08 -5.24 -1.16 MgSO4:H2O - Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 - Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S - Sylvite -4.59 -3.69 0.90 KCl - Thenardite -4.16 -4.46 -0.30 Na2SO4 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Transport step 4. Multicomponent diffusion run 1. - -Using solution 0. Solution after simulation 4. - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - C 2.744e-03 1.372e-03 - Ca 2.590e-02 1.295e-02 - Cl 3.000e-01 1.500e-01 - Hto 1.000e-06 5.000e-07 - I 1.000e-06 5.000e-07 - K 1.540e-03 7.700e-04 - Mg 1.720e-02 8.600e-03 - Na 2.390e-01 1.195e-01 - Nat 1.000e-06 5.000e-07 - S 1.260e-02 6.300e-03 - Sr 5.000e-04 2.500e-04 - -----------------------------Description of solution---------------------------- - - pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 - Density (g/cm³) = 1.01108 - Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 - Activity of water = 0.990 - Ionic strength (mol/kgw) = 3.632e-01 - Mass of water (kg) = 5.000e-01 - Total alkalinity (eq/kg) = 2.500e-03 - Total CO2 (mol/kg) = 2.744e-03 - Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 - Total H = 5.550745e+01 - Total O = 2.778229e+01 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 - H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 -C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 -Ca 2.590e-02 - Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) -Cl 3.000e-01 - Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 -Hto 1.000e-06 - Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) -I 1.000e-06 - I- 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) -K 1.540e-03 - K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 -Mg 1.720e-02 - Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) -Na 2.390e-01 - Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 1.000e-06 - Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 -S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) -Sr 5.000e-04 - Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - Anhydrite -0.81 -5.09 -4.28 CaSO4 - Aragonite 0.10 -8.23 -8.34 CaCO3 - Arcanite -7.03 -8.91 -1.88 K2SO4 - Calcite 0.25 -8.23 -8.48 CaCO3 - Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -18089,18 +17992,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -18114,8 +18017,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -18139,8 +18042,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -18160,16 +18063,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -18196,21 +18098,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -18247,18 +18149,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.745 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.732 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -18272,8 +18174,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.105e-14 - CH4 1.105e-14 1.201e-14 -13.957 -13.920 0.036 35.46 +C(-4) 8.719e-15 + CH4 8.719e-15 9.480e-15 -14.060 -14.023 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -18297,10 +18199,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.660e-12 - H2 1.330e-12 1.446e-12 -11.876 -11.840 0.036 28.61 +H(0) 2.508e-12 + H2 1.254e-12 1.363e-12 -11.902 -11.865 0.036 28.61 Hto 8.404e-07 - Hto 8.404e-07 8.404e-07 -6.076 -6.076 0.000 (0) + Hto 8.404e-07 8.404e-07 -6.075 -6.075 0.000 (0) I 9.078e-07 I- 9.078e-07 9.078e-07 -6.042 -6.042 -0.000 (0) K 1.540e-03 @@ -18318,16 +18220,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 7.104e-07 Nat+ 7.104e-07 7.104e-07 -6.148 -6.148 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.746 -68.709 0.036 30.40 -S(-2) 1.732e-11 - HS- 1.211e-11 7.971e-12 -10.917 -11.098 -0.182 21.14 - H2S 5.210e-12 5.665e-12 -11.283 -11.247 0.036 36.27 - S-2 4.914e-17 1.184e-17 -16.309 -16.926 -0.618 (0) - (H2S)2 1.555e-24 1.691e-24 -23.808 -23.772 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.694 -68.658 0.036 30.40 +S(-2) 1.367e-11 + HS- 9.557e-12 6.291e-12 -11.020 -11.201 -0.182 21.14 + H2S 4.112e-12 4.471e-12 -11.386 -11.350 0.036 36.27 + S-2 3.878e-17 9.348e-18 -16.411 -17.029 -0.618 (0) + (H2S)2 9.689e-25 1.053e-24 -24.014 -23.977 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -18354,21 +18255,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.12 -13.92 -2.80 CH4 + CH4(g) -11.22 -14.02 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.74 -11.84 -3.10 H2 + H2(g) -8.76 -11.87 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.25 -18.19 -7.94 H2S + H2S(g) -10.36 -18.29 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.82 -68.71 -2.89 O2 + O2(g) -65.77 -68.66 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.44 -2.56 4.88 S + Sulfur -7.52 -2.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -18392,7 +18293,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.084e-13 Surface + diffuse layer charge, eq + -1.092e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -18402,7 +18303,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -18449,18 +18350,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.880 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.882 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.030e-09 + Electrical balance (eq) = 1.772e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (20 overall) Total H = 1.307864e+01 @@ -18474,8 +18375,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.332e-13 - CH4 1.332e-13 1.449e-13 -12.875 -12.839 0.036 35.46 +C(-4) 1.368e-13 + CH4 1.368e-13 1.487e-13 -12.864 -12.828 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -18499,8 +18400,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.958e-12 - H2 2.479e-12 2.695e-12 -11.606 -11.569 0.036 28.61 +H(0) 4.991e-12 + H2 2.495e-12 2.713e-12 -11.603 -11.567 0.036 28.61 Hto 3.099e-07 Hto 3.099e-07 3.099e-07 -6.509 -6.509 0.000 (0) I 3.628e-07 @@ -18520,16 +18421,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.944e-07 Nat+ 1.944e-07 1.944e-07 -6.711 -6.711 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.286 -69.250 0.036 30.40 -S(-2) 2.089e-10 - HS- 1.460e-10 9.614e-11 -9.836 -10.017 -0.182 21.14 - H2S 6.284e-11 6.833e-11 -10.202 -10.165 0.036 36.27 - S-2 5.927e-16 1.429e-16 -15.227 -15.845 -0.618 (0) - (H2S)2 2.263e-22 2.460e-22 -21.645 -21.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.292 -69.256 0.036 30.40 +S(-2) 2.145e-10 + HS- 1.499e-10 9.870e-11 -9.824 -10.006 -0.182 21.14 + H2S 6.452e-11 7.015e-11 -10.190 -10.154 0.036 36.27 + S-2 6.084e-16 1.467e-16 -15.216 -15.834 -0.618 (0) + (H2S)2 2.385e-22 2.593e-22 -21.623 -21.586 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -18556,21 +18456,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.04 -12.84 -2.80 CH4 + CH4(g) -10.03 -12.83 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.47 -11.57 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.17 -17.11 -7.94 H2S + H2S(g) -9.16 -17.10 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.36 -69.25 -2.89 O2 + O2(g) -66.36 -69.26 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.63 -1.75 4.88 S + Sulfur -6.62 -1.74 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -18594,7 +18494,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.304e-14 Surface + diffuse layer charge, eq + 2.925e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -18604,7 +18504,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92733 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -18613,14 +18513,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6666e-10 H 1.2947e-04 - Hto 3.2283e-09 + Hto 3.2282e-09 I 3.2401e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2313e-09 + Nat 6.2310e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -18651,20 +18551,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.990 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.911 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.669e-09 + Electrical balance (eq) = 6.009e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (33 overall) + Iterations = 0 (17 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -18676,21 +18576,21 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.001e-12 - CH4 1.001e-12 1.088e-12 -12.000 -11.963 0.036 35.46 +C(-4) 2.360e-13 + CH4 2.360e-13 2.566e-13 -12.627 -12.591 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -18701,8 +18601,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.207e-12 - H2 4.104e-12 4.462e-12 -11.387 -11.351 0.036 28.61 +H(0) 5.720e-12 + H2 2.860e-12 3.109e-12 -11.544 -11.507 0.036 28.61 Hto 2.736e-08 Hto 2.736e-08 2.736e-08 -7.563 -7.563 0.000 (0) I 2.750e-08 @@ -18716,22 +18616,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 Nat 1.060e-08 Nat+ 1.060e-08 1.060e-08 -7.975 -7.975 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.724 -69.688 0.036 30.40 -S(-2) 1.569e-09 - HS- 1.097e-09 7.220e-10 -8.960 -9.141 -0.182 21.14 - H2S 4.719e-10 5.131e-10 -9.326 -9.290 0.036 36.27 - S-2 4.451e-15 1.073e-15 -14.352 -14.969 -0.618 (0) - (H2S)2 1.276e-20 1.387e-20 -19.894 -19.858 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.410 -69.374 0.036 30.40 +S(-2) 3.700e-10 + HS- 2.587e-10 1.703e-10 -9.587 -9.769 -0.182 21.14 + H2S 1.113e-10 1.210e-10 -9.953 -9.917 0.036 36.27 + S-2 1.050e-15 2.531e-16 -14.979 -15.597 -0.618 (0) + (H2S)2 7.100e-22 7.719e-22 -21.149 -21.112 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -18740,7 +18639,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -18758,21 +18657,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.16 -11.96 -2.80 CH4 + CH4(g) -9.79 -12.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.25 -11.35 -3.10 H2 + H2(g) -8.41 -11.51 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.30 -16.23 -7.94 H2S + H2S(g) -8.92 -16.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.80 -69.69 -2.89 O2 + O2(g) -66.48 -69.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.97 -1.09 4.88 S + Sulfur -6.44 -1.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -18796,7 +18695,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.719e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -18806,7 +18705,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -18815,14 +18714,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 Hto 1.2786e-10 I 1.0929e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4779e-10 + Nat 1.4778e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -18846,25 +18745,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.515e-10 2.963e-11 + Nat 2.515e-10 2.962e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.028 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.050 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.877e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -18876,20 +18775,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.005e-12 - CH4 2.005e-12 2.180e-12 -11.698 -11.661 0.036 35.46 +C(-4) 3.055e-12 + CH4 3.055e-12 3.322e-12 -11.515 -11.479 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -18897,14 +18796,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.765e-12 - H2 4.883e-12 5.309e-12 -11.311 -11.275 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.085e-11 + H2 5.425e-12 5.898e-12 -11.266 -11.229 0.036 28.61 Hto 1.084e-09 Hto 1.084e-09 1.084e-09 -8.965 -8.965 0.000 (0) I 9.277e-10 @@ -18924,16 +18823,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.515e-10 - Nat+ 2.515e-10 2.515e-10 -9.599 -9.599 -0.000 (0) + Nat+ 2.515e-10 2.515e-10 -9.600 -9.600 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.875 -69.839 0.036 30.40 -S(-2) 3.144e-09 - HS- 2.198e-09 1.447e-09 -8.658 -8.840 -0.182 21.14 - H2S 9.457e-10 1.028e-09 -9.024 -8.988 0.036 36.27 - S-2 8.920e-15 2.150e-15 -14.050 -14.668 -0.618 (0) - (H2S)2 5.124e-20 5.571e-20 -19.290 -19.254 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.966 -69.930 0.036 30.40 +S(-2) 4.789e-09 + HS- 3.348e-09 2.204e-09 -8.475 -8.657 -0.182 21.14 + H2S 1.441e-09 1.566e-09 -8.841 -8.805 0.036 36.27 + S-2 1.359e-14 3.276e-15 -13.867 -14.485 -0.618 (0) + (H2S)2 1.189e-19 1.293e-19 -18.925 -18.888 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -18943,13 +18841,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -18960,21 +18858,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.86 -11.66 -2.80 CH4 + CH4(g) -8.68 -11.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.28 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.99 -15.93 -7.94 H2S + H2S(g) -7.81 -15.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.95 -69.84 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.74 -0.86 4.88 S + Sulfur -5.61 -0.73 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -18998,7 +18896,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.733e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -19008,7 +18906,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -19017,14 +18915,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 - Hto 1.9058e-12 + Hto 1.9057e-12 I 1.3827e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3026e-12 + Nat 1.3024e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -19055,18 +18953,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -19078,20 +18976,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.108e-12 - CH4 2.108e-12 2.292e-12 -11.676 -11.640 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -19099,14 +18997,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.888e-12 - H2 4.944e-12 5.375e-12 -11.306 -11.270 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 Hto 1.615e-11 Hto 1.615e-11 1.615e-11 -10.792 -10.792 0.000 (0) I 1.174e-11 @@ -19126,16 +19024,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.216e-12 Nat+ 2.216e-12 2.216e-12 -11.654 -11.654 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.886 -69.850 0.036 30.40 -S(-2) 3.304e-09 - HS- 2.310e-09 1.521e-09 -8.636 -8.818 -0.182 21.14 - H2S 9.941e-10 1.081e-09 -9.003 -8.966 0.036 36.27 - S-2 9.376e-15 2.260e-15 -14.028 -14.646 -0.618 (0) - (H2S)2 5.662e-20 6.155e-20 -19.247 -19.211 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -19145,13 +19042,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -19162,21 +19059,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -19200,7 +19097,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -19210,7 +19107,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -19219,7 +19116,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -19251,18 +19148,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.869e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -19274,20 +19171,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.116e-12 - CH4 2.116e-12 2.300e-12 -11.675 -11.638 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -19295,14 +19192,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.897e-12 - H2 4.948e-12 5.380e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -19318,14 +19215,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.317e-09 - HS- 2.319e-09 1.527e-09 -8.635 -8.816 -0.182 21.14 - H2S 9.977e-10 1.085e-09 -9.001 -8.965 0.036 36.27 - S-2 9.411e-15 2.268e-15 -14.026 -14.644 -0.618 (0) - (H2S)2 5.703e-20 6.201e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -19335,13 +19231,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -19352,21 +19248,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -19390,7 +19286,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -19400,7 +19296,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -19409,7 +19305,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -19441,18 +19337,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -19464,20 +19360,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.113e-12 - CH4 2.113e-12 2.298e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -19485,14 +19381,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.894e-12 - H2 4.947e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -19508,14 +19404,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.886 -69.850 0.036 30.40 -S(-2) 3.313e-09 - HS- 2.316e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.967e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.401e-15 2.266e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.691e-20 6.188e-20 -19.245 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -19525,13 +19420,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -19542,21 +19437,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -19580,7 +19475,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -19590,7 +19485,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -19599,7 +19494,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -19631,18 +19526,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -19654,20 +19549,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.114e-12 - CH4 2.114e-12 2.299e-12 -11.675 -11.638 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -19675,14 +19570,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.895e-12 - H2 4.948e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -19698,14 +19593,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.315e-09 - HS- 2.317e-09 1.526e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.971e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.405e-15 2.267e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.697e-20 6.193e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -19715,13 +19609,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -19732,21 +19626,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -19770,7 +19664,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -19780,7 +19674,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -19789,7 +19683,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -19821,18 +19715,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -19844,20 +19738,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.113e-12 - CH4 2.113e-12 2.297e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -19865,14 +19759,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.894e-12 - H2 4.947e-12 5.378e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -19888,14 +19782,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.886 -69.850 0.036 30.40 -S(-2) 3.313e-09 - HS- 2.316e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.965e-10 1.083e-09 -9.002 -8.965 0.036 36.27 - S-2 9.399e-15 2.266e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.689e-20 6.186e-20 -19.245 -19.209 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -19905,13 +19798,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -19922,21 +19815,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -19960,7 +19853,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -19970,7 +19863,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -19979,7 +19872,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -20011,18 +19904,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.869e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -20034,20 +19927,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.115e-12 - CH4 2.115e-12 2.299e-12 -11.675 -11.638 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -20055,14 +19948,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.896e-12 - H2 4.948e-12 5.380e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -20078,14 +19971,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.315e-09 - HS- 2.318e-09 1.526e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.973e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.406e-15 2.267e-15 -14.027 -14.644 -0.618 (0) - (H2S)2 5.698e-20 6.195e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -20095,13 +19987,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -20112,21 +20004,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -20150,7 +20042,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -20160,7 +20052,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -20169,7 +20061,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -20201,18 +20093,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -20224,20 +20116,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.114e-12 - CH4 2.114e-12 2.298e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -20245,14 +20137,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.895e-12 - H2 4.947e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -20268,14 +20160,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.314e-09 - HS- 2.317e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.969e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.403e-15 2.267e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.694e-20 6.191e-20 -19.245 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -20285,13 +20176,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -20302,21 +20193,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -20340,7 +20231,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -20350,7 +20241,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -20359,7 +20250,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -20391,18 +20282,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -20414,20 +20305,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.114e-12 - CH4 2.114e-12 2.299e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -20435,14 +20326,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.895e-12 - H2 4.948e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -20458,14 +20349,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.314e-09 - HS- 2.317e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.970e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.404e-15 2.267e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.695e-20 6.192e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -20475,13 +20365,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -20492,21 +20382,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -20530,7 +20420,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -20540,7 +20430,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -20549,7 +20439,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -20581,18 +20471,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -20604,20 +20494,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.114e-12 - CH4 2.114e-12 2.298e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -20625,14 +20515,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.895e-12 - H2 4.948e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -20648,14 +20538,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.314e-09 - HS- 2.317e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.970e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.404e-15 2.267e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.695e-20 6.192e-20 -19.245 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -20665,13 +20554,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -20682,21 +20571,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -20720,7 +20609,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -20730,7 +20619,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -20739,7 +20628,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -20771,18 +20660,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -20794,20 +20683,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.114e-12 - CH4 2.114e-12 2.299e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -20815,14 +20704,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.895e-12 - H2 4.948e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -20838,14 +20727,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.314e-09 - HS- 2.317e-09 1.526e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.971e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.405e-15 2.267e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.696e-20 6.193e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -20855,13 +20743,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -20872,21 +20760,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -20910,7 +20798,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -20920,7 +20808,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -20929,7 +20817,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -20961,18 +20849,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -20984,20 +20872,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.113e-12 - CH4 2.113e-12 2.297e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -21005,14 +20893,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.894e-12 - H2 4.947e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -21028,14 +20916,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.886 -69.850 0.036 30.40 -S(-2) 3.313e-09 - HS- 2.316e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.966e-10 1.083e-09 -9.002 -8.965 0.036 36.27 - S-2 9.399e-15 2.266e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.690e-20 6.186e-20 -19.245 -19.209 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -21045,13 +20932,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -21062,21 +20949,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -21100,7 +20987,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -21110,7 +20997,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -21119,7 +21006,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -21151,18 +21038,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -21174,20 +21061,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.114e-12 - CH4 2.114e-12 2.299e-12 -11.675 -11.638 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -21195,14 +21082,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.896e-12 - H2 4.948e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -21218,14 +21105,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.315e-09 - HS- 2.318e-09 1.526e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.972e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.406e-15 2.267e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.697e-20 6.194e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -21235,13 +21121,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -21252,21 +21138,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -21290,7 +21176,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -21300,7 +21186,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -21309,7 +21195,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -21341,18 +21227,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.869e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -21364,20 +21250,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.115e-12 - CH4 2.115e-12 2.300e-12 -11.675 -11.638 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -21385,14 +21271,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.896e-12 - H2 4.948e-12 5.380e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -21408,14 +21294,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.316e-09 - HS- 2.318e-09 1.526e-09 -8.635 -8.816 -0.182 21.14 - H2S 9.975e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.408e-15 2.268e-15 -14.026 -14.644 -0.618 (0) - (H2S)2 5.700e-20 6.197e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -21425,13 +21310,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -21442,21 +21327,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -21480,7 +21365,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -21490,7 +21375,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -21499,7 +21384,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -21531,18 +21416,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -21554,20 +21439,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.113e-12 - CH4 2.113e-12 2.297e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -21575,14 +21460,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.893e-12 - H2 4.947e-12 5.378e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -21598,14 +21483,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.886 -69.850 0.036 30.40 -S(-2) 3.312e-09 - HS- 2.316e-09 1.524e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.963e-10 1.083e-09 -9.002 -8.965 0.036 36.27 - S-2 9.397e-15 2.265e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.687e-20 6.183e-20 -19.245 -19.209 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -21615,13 +21499,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -21632,21 +21516,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -21670,7 +21554,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -21680,7 +21564,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -21689,7 +21573,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -21721,18 +21605,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -21744,20 +21628,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.114e-12 - CH4 2.114e-12 2.298e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -21765,14 +21649,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.894e-12 - H2 4.947e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -21788,14 +21672,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.886 -69.850 0.036 30.40 -S(-2) 3.313e-09 - HS- 2.317e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.968e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.401e-15 2.266e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.692e-20 6.189e-20 -19.245 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -21805,13 +21688,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -21822,21 +21705,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -21860,7 +21743,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -21870,7 +21753,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -21879,7 +21762,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -21911,18 +21794,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -21934,20 +21817,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.113e-12 - CH4 2.113e-12 2.298e-12 -11.675 -11.639 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -21955,14 +21838,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.894e-12 - H2 4.947e-12 5.379e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -21978,14 +21861,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.886 -69.850 0.036 30.40 -S(-2) 3.313e-09 - HS- 2.316e-09 1.525e-09 -8.635 -8.817 -0.182 21.14 - H2S 9.967e-10 1.084e-09 -9.001 -8.965 0.036 36.27 - S-2 9.401e-15 2.266e-15 -14.027 -14.645 -0.618 (0) - (H2S)2 5.691e-20 6.188e-20 -19.245 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -21995,13 +21877,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -22012,21 +21894,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -22050,7 +21932,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.704e-11 Surface + diffuse layer charge, eq + -8.732e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -22060,7 +21942,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -22069,7 +21951,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6660e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -22101,18 +21983,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.051 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.869e-09 + Electrical balance (eq) = 1.527e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -22124,20 +22006,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.116e-12 - CH4 2.116e-12 2.300e-12 -11.675 -11.638 0.036 35.46 +C(-4) 3.099e-12 + CH4 3.099e-12 3.369e-12 -11.509 -11.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -22145,14 +22027,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.897e-12 - H2 4.948e-12 5.380e-12 -11.306 -11.269 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.089e-11 + H2 5.444e-12 5.919e-12 -11.264 -11.228 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -22168,14 +22050,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.887 -69.850 0.036 30.40 -S(-2) 3.316e-09 - HS- 2.319e-09 1.526e-09 -8.635 -8.816 -0.182 21.14 - H2S 9.977e-10 1.085e-09 -9.001 -8.965 0.036 36.27 - S-2 9.410e-15 2.268e-15 -14.026 -14.644 -0.618 (0) - (H2S)2 5.703e-20 6.201e-20 -19.244 -19.208 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.970 -69.933 0.036 30.40 +S(-2) 4.857e-09 + HS- 3.396e-09 2.236e-09 -8.469 -8.651 -0.182 21.14 + H2S 1.461e-09 1.589e-09 -8.835 -8.799 0.036 36.27 + S-2 1.378e-14 3.323e-15 -13.861 -14.479 -0.618 (0) + (H2S)2 1.223e-19 1.330e-19 -18.912 -18.876 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -22185,13 +22066,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -22202,21 +22083,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.84 -11.64 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.97 -15.91 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.96 -69.85 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -22246,18 +22127,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -22271,8 +22152,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -22296,8 +22177,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -22317,16 +22198,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -22353,21 +22233,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -22395,18 +22275,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -22420,8 +22300,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -22445,8 +22325,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -22466,16 +22346,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -22502,21 +22381,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -22553,18 +22432,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.758 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.749 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.569e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -22578,8 +22457,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.404e-14 - CH4 1.404e-14 1.527e-14 -13.853 -13.816 0.036 35.46 +C(-4) 1.188e-14 + CH4 1.188e-14 1.292e-14 -13.925 -13.889 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -22603,8 +22482,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.825e-12 - H2 1.412e-12 1.536e-12 -11.850 -11.814 0.036 28.61 +H(0) 2.709e-12 + H2 1.355e-12 1.473e-12 -11.868 -11.832 0.036 28.61 Hto 8.138e-07 Hto 8.138e-07 8.138e-07 -6.090 -6.090 0.000 (0) I 8.921e-07 @@ -22624,16 +22503,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 6.632e-07 Nat+ 6.632e-07 6.632e-07 -6.178 -6.178 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.798 -68.761 0.036 30.40 -S(-2) 2.201e-11 - HS- 1.539e-11 1.013e-11 -10.813 -10.994 -0.182 21.14 - H2S 6.622e-12 7.200e-12 -11.179 -11.143 0.036 36.27 - S-2 6.245e-17 1.505e-17 -16.204 -16.822 -0.618 (0) - (H2S)2 2.512e-24 2.732e-24 -23.600 -23.564 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.761 -68.725 0.036 30.40 +S(-2) 1.863e-11 + HS- 1.302e-11 8.573e-12 -10.885 -11.067 -0.182 21.14 + H2S 5.604e-12 6.093e-12 -11.252 -11.215 0.036 36.27 + S-2 5.285e-17 1.274e-17 -16.277 -16.895 -0.618 (0) + (H2S)2 1.799e-24 1.956e-24 -23.745 -23.709 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -22660,21 +22538,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -11.01 -13.82 -2.80 CH4 + CH4(g) -11.09 -13.89 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.71 -11.81 -3.10 H2 + H2(g) -8.73 -11.83 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.15 -18.08 -7.94 H2S + H2S(g) -10.22 -18.16 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.87 -68.76 -2.89 O2 + O2(g) -65.83 -68.73 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.36 -2.48 4.88 S + Sulfur -7.42 -2.53 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -22698,7 +22576,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.110e-13 Surface + diffuse layer charge, eq + -1.139e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -22708,7 +22586,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -22719,7 +22597,7 @@ Su Ca 7.1884e-02 Cl 4.6666e-10 H 1.2947e-04 - Hto 4.1465e-08 + Hto 4.1464e-08 I 4.8777e-20 K 8.9156e-04 Mg 4.6365e-02 @@ -22755,18 +22633,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.887 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.892 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.025e-09 + Electrical balance (eq) = 1.767e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (20 overall) Total H = 1.307864e+01 @@ -22780,8 +22658,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.514e-13 - CH4 1.514e-13 1.647e-13 -12.820 -12.783 0.036 35.46 +C(-4) 1.644e-13 + CH4 1.644e-13 1.787e-13 -12.784 -12.748 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -22805,8 +22683,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 5.119e-12 - H2 2.560e-12 2.783e-12 -11.592 -11.556 0.036 28.61 +H(0) 5.225e-12 + H2 2.613e-12 2.840e-12 -11.583 -11.547 0.036 28.61 Hto 3.514e-07 Hto 3.514e-07 3.514e-07 -6.454 -6.454 0.000 (0) I 4.140e-07 @@ -22826,16 +22704,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.219e-07 Nat+ 2.219e-07 2.219e-07 -6.654 -6.654 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.314 -69.278 0.036 30.40 -S(-2) 2.374e-10 - HS- 1.660e-10 1.093e-10 -9.780 -9.961 -0.182 21.14 - H2S 7.143e-11 7.766e-11 -10.146 -10.110 0.036 36.27 - S-2 6.736e-16 1.624e-16 -15.172 -15.789 -0.618 (0) - (H2S)2 2.923e-22 3.178e-22 -21.534 -21.498 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.332 -69.296 0.036 30.40 +S(-2) 2.577e-10 + HS- 1.802e-10 1.186e-10 -9.744 -9.926 -0.182 21.14 + H2S 7.753e-11 8.429e-11 -10.111 -10.074 0.036 36.27 + S-2 7.311e-16 1.762e-16 -15.136 -15.754 -0.618 (0) + (H2S)2 3.444e-22 3.744e-22 -21.463 -21.427 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -22862,21 +22739,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.98 -12.78 -2.80 CH4 + CH4(g) -9.95 -12.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.45 -11.56 -3.10 H2 + H2(g) -8.45 -11.55 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.12 -17.05 -7.94 H2S + H2S(g) -9.08 -17.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.39 -69.28 -2.89 O2 + O2(g) -66.40 -69.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.59 -1.70 4.88 S + Sulfur -6.56 -1.68 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -22900,7 +22777,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.789e-11 Surface + diffuse layer charge, eq + -9.237e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -22910,7 +22787,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -22919,14 +22796,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6665e-10 H 1.2947e-04 - Hto 4.8402e-09 - I 4.9060e-21 + Hto 4.8401e-09 + I 4.9052e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.5384e-09 + Nat 9.5379e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -22957,20 +22834,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.992 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.940 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.669e-09 + Electrical balance (eq) = 5.898e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (14 overall) + Iterations = 0 (19 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -22982,8 +22859,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.051e-12 - CH4 1.051e-12 1.143e-12 -11.978 -11.942 0.036 35.46 +C(-4) 4.033e-13 + CH4 4.033e-13 4.384e-13 -12.394 -12.358 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -22992,11 +22869,11 @@ C(4) 2.744e-03 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -23007,8 +22884,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.309e-12 - H2 4.155e-12 4.517e-12 -11.381 -11.345 0.036 28.61 +H(0) 6.539e-12 + H2 3.270e-12 3.555e-12 -11.485 -11.449 0.036 28.61 Hto 4.102e-08 Hto 4.102e-08 4.102e-08 -7.387 -7.387 0.000 (0) I 4.164e-08 @@ -23022,22 +22899,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.623e-08 Nat+ 1.623e-08 1.623e-08 -7.790 -7.790 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.735 -69.699 0.036 30.40 -S(-2) 1.648e-09 - HS- 1.152e-09 7.585e-10 -8.938 -9.120 -0.182 21.14 - H2S 4.958e-10 5.391e-10 -9.305 -9.268 0.036 36.27 - S-2 4.676e-15 1.127e-15 -14.330 -14.948 -0.618 (0) - (H2S)2 1.408e-20 1.531e-20 -19.851 -19.815 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.527 -69.490 0.036 30.40 +S(-2) 6.322e-10 + HS- 4.420e-10 2.910e-10 -9.355 -9.536 -0.182 21.14 + H2S 1.902e-10 2.068e-10 -9.721 -9.684 0.036 36.27 + S-2 1.794e-15 4.324e-16 -14.746 -15.364 -0.618 (0) + (H2S)2 2.073e-21 2.253e-21 -20.683 -20.647 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -23046,7 +22922,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -23064,21 +22940,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.14 -11.94 -2.80 CH4 + CH4(g) -9.56 -12.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.35 -3.10 H2 + H2(g) -8.35 -11.45 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.27 -16.21 -7.94 H2S + H2S(g) -8.69 -16.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.70 -2.89 O2 + O2(g) -66.60 -69.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.96 -1.07 4.88 S + Sulfur -6.27 -1.39 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -23102,7 +22978,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.729e-11 Surface + diffuse layer charge, eq + -8.744e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -23112,7 +22988,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -23121,14 +22997,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6661e-10 + Cl 4.6659e-10 H 1.2947e-04 - Hto 2.8643e-10 + Hto 2.8641e-10 I 2.4774e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.4042e-10 + Nat 3.4039e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -23152,25 +23028,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.793e-10 6.824e-11 + Nat 5.792e-10 6.824e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.049 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.065 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.790e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -23184,20 +23060,20 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.983e-12 - CH4 2.983e-12 3.243e-12 -11.525 -11.489 0.036 35.46 +C(-4) 3.993e-12 + CH4 3.993e-12 4.341e-12 -11.399 -11.362 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -23209,8 +23085,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.078e-11 - H2 5.392e-12 5.863e-12 -11.268 -11.232 0.036 28.61 +H(0) 1.160e-11 + H2 5.800e-12 6.306e-12 -11.237 -11.200 0.036 28.61 Hto 2.427e-09 Hto 2.427e-09 2.427e-09 -8.615 -8.615 0.000 (0) I 2.103e-09 @@ -23224,22 +23100,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 5.793e-10 - Nat+ 5.793e-10 5.793e-10 -9.237 -9.237 -0.000 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 +Nat 5.792e-10 + Nat+ 5.792e-10 5.792e-10 -9.237 -9.237 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.961 -69.925 0.036 30.40 -S(-2) 4.676e-09 - HS- 3.269e-09 2.152e-09 -8.486 -8.667 -0.182 21.14 - H2S 1.407e-09 1.529e-09 -8.852 -8.815 0.036 36.27 - S-2 1.327e-14 3.199e-15 -13.877 -14.495 -0.618 (0) - (H2S)2 1.134e-19 1.233e-19 -18.945 -18.909 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.025 -69.988 0.036 30.40 +S(-2) 6.259e-09 + HS- 4.376e-09 2.881e-09 -8.359 -8.540 -0.182 21.14 + H2S 1.883e-09 2.047e-09 -8.725 -8.689 0.036 36.27 + S-2 1.776e-14 4.282e-15 -13.751 -14.368 -0.618 (0) + (H2S)2 2.031e-19 2.208e-19 -18.692 -18.656 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -23248,14 +23123,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -23266,21 +23141,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.69 -11.49 -2.80 CH4 + CH4(g) -8.56 -11.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.82 -15.76 -7.94 H2S + H2S(g) -7.69 -15.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.03 -69.92 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.62 -0.73 4.88 S + Sulfur -5.52 -0.64 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -23304,7 +23179,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.734e-11 Surface + diffuse layer charge, eq + -8.762e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -23314,7 +23189,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -23323,14 +23198,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 - Hto 8.5188e-12 - I 6.2612e-24 + Hto 8.5183e-12 + I 6.2620e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.0131e-12 + Nat 6.0125e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -23361,18 +23236,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -23386,33 +23261,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.123e-12 - CH4 3.123e-12 3.395e-12 -11.505 -11.469 0.036 35.46 +C(-4) 4.116e-12 + CH4 4.116e-12 4.475e-12 -11.386 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.091e-11 - H2 5.454e-12 5.930e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.844e-12 6.354e-12 -11.233 -11.197 0.036 28.61 Hto 7.219e-11 Hto 7.219e-11 7.219e-11 -10.142 -10.142 0.000 (0) I 5.315e-11 @@ -23426,22 +23301,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 Nat 1.023e-11 Nat+ 1.023e-11 1.023e-11 -10.990 -10.990 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.971 -69.935 0.036 30.40 -S(-2) 4.895e-09 - HS- 3.423e-09 2.253e-09 -8.466 -8.647 -0.182 21.14 - H2S 1.473e-09 1.601e-09 -8.832 -8.796 0.036 36.27 - S-2 1.389e-14 3.348e-15 -13.857 -14.475 -0.618 (0) - (H2S)2 1.242e-19 1.351e-19 -18.906 -18.869 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.452e-09 + HS- 4.511e-09 2.970e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.941e-09 2.110e-09 -8.712 -8.676 0.036 36.27 + S-2 1.831e-14 4.413e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.158e-19 2.346e-19 -18.666 -18.630 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -23450,13 +23324,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -23468,21 +23342,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.93 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -23506,7 +23380,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -23516,7 +23390,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -23525,14 +23399,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 Hto 1.0159e-13 - I 6.3336e-26 + I 6.3323e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2262e-14 + Nat 4.2257e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -23551,30 +23425,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.610e-13 1.014e-13 + Hto 8.609e-13 1.014e-13 I 5.375e-13 6.333e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.191e-14 8.472e-15 + Nat 7.190e-14 8.471e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.782e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -23588,35 +23462,35 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.134e-12 - CH4 3.134e-12 3.408e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.936e-12 -11.263 -11.227 0.036 28.61 -Hto 8.610e-13 - Hto 8.610e-13 8.610e-13 -12.065 -12.065 0.000 (0) +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 +Hto 8.609e-13 + Hto 8.609e-13 8.609e-13 -12.065 -12.065 0.000 (0) I 5.375e-13 I- 5.375e-13 5.375e-13 -12.270 -12.270 -0.000 (0) K 1.540e-03 @@ -23628,22 +23502,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 7.191e-14 - Nat+ 7.191e-14 7.191e-14 -13.143 -13.143 -0.000 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 +Nat 7.190e-14 + Nat+ 7.190e-14 7.190e-14 -13.143 -13.143 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.913e-09 - HS- 3.435e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.607e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.361e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.252e-19 1.361e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -23652,13 +23525,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -23670,21 +23543,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -23708,7 +23581,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -23718,7 +23591,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -23727,7 +23600,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -23759,18 +23632,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -23784,33 +23657,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.406e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -23820,20 +23693,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.911e-09 - HS- 3.433e-09 2.260e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.477e-09 1.606e-09 -8.831 -8.794 0.036 36.27 - S-2 1.393e-14 3.359e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.250e-19 1.359e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -23842,13 +23714,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -23860,21 +23732,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -23898,7 +23770,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -23908,7 +23780,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -23917,7 +23789,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -23949,18 +23821,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.782e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -23974,33 +23846,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.407e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -24010,20 +23882,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.912e-09 - HS- 3.434e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.607e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.360e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.360e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -24032,13 +23903,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -24050,21 +23921,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -24088,7 +23959,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -24098,7 +23969,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -24107,7 +23978,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -24139,18 +24010,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -24164,33 +24035,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.132e-12 - CH4 3.132e-12 3.405e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -24200,20 +24071,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.910e-09 - HS- 3.433e-09 2.260e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.477e-09 1.606e-09 -8.831 -8.794 0.036 36.27 - S-2 1.393e-14 3.359e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.250e-19 1.359e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -24222,13 +24092,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -24240,21 +24110,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -24278,7 +24148,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -24288,7 +24158,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -24297,7 +24167,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -24329,18 +24199,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.782e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -24354,33 +24224,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.134e-12 - CH4 3.134e-12 3.407e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -24390,20 +24260,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.912e-09 - HS- 3.435e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.607e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.360e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.360e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -24412,13 +24281,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -24430,21 +24299,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -24468,7 +24337,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -24478,7 +24347,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -24487,7 +24356,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -24519,18 +24388,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -24544,33 +24413,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.406e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -24580,20 +24449,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.911e-09 - HS- 3.434e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.477e-09 1.606e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.359e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.360e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -24602,13 +24470,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -24620,21 +24488,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -24658,7 +24526,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -24668,7 +24536,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -24677,7 +24545,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -24709,18 +24577,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -24734,33 +24602,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.406e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -24770,20 +24638,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.912e-09 - HS- 3.434e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.606e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.360e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.360e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -24792,13 +24659,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -24810,21 +24677,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -24848,7 +24715,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -24858,7 +24725,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -24867,7 +24734,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -24899,18 +24766,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -24924,33 +24791,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.406e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -24960,20 +24827,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.912e-09 - HS- 3.434e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.606e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.360e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.360e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -24982,13 +24848,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -25000,21 +24866,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -25038,7 +24904,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -25048,7 +24914,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -25057,7 +24923,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -25089,18 +24955,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.782e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -25114,33 +24980,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.407e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -25150,20 +25016,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.912e-09 - HS- 3.434e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.606e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.360e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.360e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -25172,13 +25037,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -25190,21 +25055,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -25228,7 +25093,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -25238,7 +25103,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -25247,7 +25112,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -25279,18 +25144,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -25304,33 +25169,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.132e-12 - CH4 3.132e-12 3.406e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -25340,20 +25205,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.910e-09 - HS- 3.433e-09 2.260e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.477e-09 1.606e-09 -8.831 -8.794 0.036 36.27 - S-2 1.393e-14 3.359e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.250e-19 1.359e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -25362,13 +25226,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -25380,21 +25244,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -25418,7 +25282,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -25428,7 +25292,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -25437,7 +25301,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -25469,18 +25333,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.782e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -25494,33 +25358,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.134e-12 - CH4 3.134e-12 3.407e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -25530,20 +25394,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.912e-09 - HS- 3.434e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.607e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.360e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.360e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -25552,13 +25415,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -25570,21 +25433,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -25608,7 +25471,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -25618,7 +25481,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -25627,7 +25490,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -25659,18 +25522,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.782e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -25684,33 +25547,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.134e-12 - CH4 3.134e-12 3.407e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.936e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -25720,20 +25583,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.913e-09 - HS- 3.435e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.607e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.360e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.361e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -25742,13 +25604,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -25760,21 +25622,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -25798,7 +25660,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -25808,7 +25670,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -25817,7 +25679,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -25849,18 +25711,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -25874,33 +25736,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.132e-12 - CH4 3.132e-12 3.405e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.458e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -25910,20 +25772,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.910e-09 - HS- 3.433e-09 2.260e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.477e-09 1.606e-09 -8.831 -8.794 0.036 36.27 - S-2 1.393e-14 3.358e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.250e-19 1.359e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -25932,13 +25793,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -25950,21 +25811,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -25988,7 +25849,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -25998,7 +25859,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -26007,7 +25868,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -26039,18 +25900,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -26064,33 +25925,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.406e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -26100,20 +25961,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.911e-09 - HS- 3.433e-09 2.260e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.477e-09 1.606e-09 -8.831 -8.794 0.036 36.27 - S-2 1.393e-14 3.359e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.250e-19 1.359e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -26122,13 +25982,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -26140,21 +26000,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -26178,7 +26038,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -26188,7 +26048,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -26197,7 +26057,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -26229,18 +26089,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.783e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -26254,33 +26114,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.133e-12 - CH4 3.133e-12 3.406e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.935e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -26290,20 +26150,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.911e-09 - HS- 3.433e-09 2.260e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.477e-09 1.606e-09 -8.831 -8.794 0.036 36.27 - S-2 1.393e-14 3.359e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.250e-19 1.359e-19 -18.903 -18.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -26312,13 +26171,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -26330,21 +26189,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -26368,7 +26227,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.733e-11 Surface + diffuse layer charge, eq + -8.761e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -26378,7 +26237,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -26387,7 +26246,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6659e-10 H 1.2947e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -26419,18 +26278,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.782e-09 + Electrical balance (eq) = 1.440e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -26444,33 +26303,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.135e-12 - CH4 3.135e-12 3.408e-12 -11.504 -11.468 0.036 35.46 +C(-4) 4.118e-12 + CH4 4.118e-12 4.477e-12 -11.385 -11.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.460e-12 5.936e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.169e-11 + H2 5.845e-12 6.355e-12 -11.233 -11.197 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -26480,20 +26339,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.914e-09 - HS- 3.436e-09 2.262e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.607e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.361e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.252e-19 1.361e-19 -18.902 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.031 -69.995 0.036 30.40 +S(-2) 6.455e-09 + HS- 4.513e-09 2.971e-09 -8.346 -8.527 -0.182 21.14 + H2S 1.942e-09 2.111e-09 -8.712 -8.675 0.036 36.27 + S-2 1.832e-14 4.416e-15 -13.737 -14.355 -0.618 (0) + (H2S)2 2.160e-19 2.349e-19 -18.666 -18.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -26502,13 +26360,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -26520,21 +26378,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -26564,18 +26422,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -26589,8 +26447,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -26614,8 +26472,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -26635,16 +26493,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -26671,21 +26528,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -26713,18 +26570,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -26738,8 +26595,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -26763,8 +26620,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -26784,16 +26641,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -26820,21 +26676,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -26871,18 +26727,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.770 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.764 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.569e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -26896,8 +26752,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.740e-14 - CH4 1.740e-14 1.892e-14 -13.759 -13.723 0.036 35.46 +C(-4) 1.563e-14 + CH4 1.563e-14 1.700e-14 -13.806 -13.770 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -26921,8 +26777,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.980e-12 - H2 1.490e-12 1.620e-12 -11.827 -11.790 0.036 28.61 +H(0) 2.902e-12 + H2 1.451e-12 1.577e-12 -11.838 -11.802 0.036 28.61 Hto 7.905e-07 Hto 7.905e-07 7.905e-07 -6.102 -6.102 0.000 (0) I 8.784e-07 @@ -26942,16 +26798,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 6.228e-07 Nat+ 6.228e-07 6.228e-07 -6.206 -6.206 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.844 -68.808 0.036 30.40 -S(-2) 2.728e-11 - HS- 1.907e-11 1.256e-11 -10.720 -10.901 -0.182 21.14 - H2S 8.207e-12 8.923e-12 -11.086 -11.049 0.036 36.27 - S-2 7.740e-17 1.866e-17 -16.111 -16.729 -0.618 (0) - (H2S)2 3.859e-24 4.196e-24 -23.413 -23.377 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.821 -68.785 0.036 30.40 +S(-2) 2.451e-11 + HS- 1.714e-11 1.128e-11 -10.766 -10.948 -0.182 21.14 + H2S 7.374e-12 8.017e-12 -11.132 -11.096 0.036 36.27 + S-2 6.954e-17 1.676e-17 -16.158 -16.776 -0.618 (0) + (H2S)2 3.115e-24 3.387e-24 -23.507 -23.470 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -26978,21 +26833,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.92 -13.72 -2.80 CH4 + CH4(g) -10.97 -13.77 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.69 -11.79 -3.10 H2 + H2(g) -8.70 -11.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -10.05 -17.99 -7.94 H2S + H2S(g) -10.10 -18.04 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.92 -68.81 -2.89 O2 + O2(g) -65.89 -68.78 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.29 -2.41 4.88 S + Sulfur -7.33 -2.44 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -27016,7 +26871,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.217e-13 Surface + diffuse layer charge, eq + -1.189e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -27026,7 +26881,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -27038,7 +26893,7 @@ Su Cl 4.6666e-10 H 1.2947e-04 Hto 4.5329e-08 - I 5.3648e-20 + I 5.3641e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -27073,18 +26928,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.908 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.903 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.020e-09 + Electrical balance (eq) = 1.761e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (20 overall) Total H = 1.307864e+01 @@ -27098,8 +26953,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.220e-13 - CH4 2.220e-13 2.414e-13 -12.654 -12.617 0.036 35.46 +C(-4) 2.015e-13 + CH4 2.015e-13 2.190e-13 -12.696 -12.660 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -27123,8 +26978,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 5.633e-12 - H2 2.816e-12 3.062e-12 -11.550 -11.514 0.036 28.61 +H(0) 5.498e-12 + H2 2.749e-12 2.989e-12 -11.561 -11.525 0.036 28.61 Hto 3.841e-07 Hto 3.841e-07 3.841e-07 -6.416 -6.416 0.000 (0) I 4.554e-07 @@ -27144,16 +26999,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.439e-07 Nat+ 2.439e-07 2.439e-07 -6.613 -6.613 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.397 -69.361 0.036 30.40 -S(-2) 3.480e-10 - HS- 2.433e-10 1.602e-10 -9.614 -9.795 -0.182 21.14 - H2S 1.047e-10 1.138e-10 -9.980 -9.944 0.036 36.27 - S-2 9.874e-16 2.380e-16 -15.006 -15.623 -0.618 (0) - (H2S)2 6.281e-22 6.828e-22 -21.202 -21.166 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.376 -69.340 0.036 30.40 +S(-2) 3.158e-10 + HS- 2.208e-10 1.454e-10 -9.656 -9.838 -0.182 21.14 + H2S 9.501e-11 1.033e-10 -10.022 -9.986 0.036 36.27 + S-2 8.960e-16 2.160e-16 -15.048 -15.666 -0.618 (0) + (H2S)2 5.172e-22 5.623e-22 -21.286 -21.250 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -27180,21 +27034,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.82 -12.62 -2.80 CH4 + CH4(g) -9.86 -12.66 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.41 -11.51 -3.10 H2 + H2(g) -8.42 -11.52 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.95 -16.89 -7.94 H2S + H2S(g) -8.99 -16.93 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.47 -69.36 -2.89 O2 + O2(g) -66.45 -69.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.46 -1.58 4.88 S + Sulfur -6.49 -1.61 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -27218,7 +27072,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.797e-11 Surface + diffuse layer charge, eq + -8.792e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -27228,7 +27082,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -27237,14 +27091,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6665e-10 H 1.2947e-04 - Hto 6.5499e-09 - I 6.7010e-21 + Hto 6.5497e-09 + I 6.7018e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3162e-08 + Nat 1.3161e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -27268,25 +27122,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.240e-08 2.639e-09 + Nat 2.240e-08 2.638e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.029 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.954 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.581e-09 + Electrical balance (eq) = 5.964e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -27300,33 +27154,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.069e-12 - CH4 2.069e-12 2.250e-12 -11.684 -11.648 0.036 35.46 +C(-4) 5.210e-13 + CH4 5.210e-13 5.664e-13 -12.283 -12.247 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 + CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.843e-12 - H2 4.921e-12 5.351e-12 -11.308 -11.272 0.036 28.61 +H(0) 6.972e-12 + H2 3.486e-12 3.790e-12 -11.458 -11.421 0.036 28.61 Hto 5.551e-08 Hto 5.551e-08 5.551e-08 -7.256 -7.256 0.000 (0) I 5.688e-08 @@ -27334,28 +27188,27 @@ I 5.688e-08 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.240e-08 Nat+ 2.240e-08 2.240e-08 -7.650 -7.650 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.882 -69.846 0.036 30.40 -S(-2) 3.244e-09 - HS- 2.268e-09 1.493e-09 -8.644 -8.826 -0.182 21.14 - H2S 9.760e-10 1.061e-09 -9.011 -8.974 0.036 36.27 - S-2 9.205e-15 2.219e-15 -14.036 -14.654 -0.618 (0) - (H2S)2 5.457e-20 5.933e-20 -19.263 -19.227 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.582 -69.546 0.036 30.40 +S(-2) 8.167e-10 + HS- 5.710e-10 3.759e-10 -9.243 -9.425 -0.182 21.14 + H2S 2.457e-10 2.671e-10 -9.610 -9.573 0.036 36.27 + S-2 2.317e-15 5.586e-16 -14.635 -15.253 -0.618 (0) + (H2S)2 3.459e-21 3.761e-21 -20.461 -20.425 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -27364,13 +27217,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -27382,21 +27235,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.85 -11.65 -2.80 CH4 + CH4(g) -9.44 -12.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.32 -11.42 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.98 -15.92 -7.94 H2S + H2S(g) -8.58 -16.51 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.95 -69.85 -2.89 O2 + O2(g) -66.65 -69.55 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.73 -0.85 4.88 S + Sulfur -6.18 -1.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -27420,7 +27273,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.768e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -27430,7 +27283,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -27439,14 +27292,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 - Hto 5.1437e-10 + Cl 4.6657e-10 + H 1.2948e-04 + Hto 5.1434e-10 I 4.4993e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2800e-10 + Nat 6.2796e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -27477,18 +27330,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.065 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.076 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.702e-09 + Electrical balance (eq) = 1.353e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -27499,36 +27352,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.968e-12 - CH4 3.968e-12 4.314e-12 -11.401 -11.365 0.036 35.46 +C(-4) 4.898e-12 + CH4 4.898e-12 5.325e-12 -11.310 -11.274 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.158e-11 - H2 5.791e-12 6.296e-12 -11.237 -11.201 0.036 28.61 +H(0) 1.221e-11 + H2 6.104e-12 6.637e-12 -11.214 -11.178 0.036 28.61 Hto 4.359e-09 Hto 4.359e-09 4.359e-09 -8.361 -8.361 0.000 (0) I 3.819e-09 @@ -27548,16 +27401,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.069e-09 Nat+ 1.069e-09 1.069e-09 -8.971 -8.971 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.023 -69.987 0.036 30.40 -S(-2) 6.220e-09 - HS- 4.349e-09 2.863e-09 -8.362 -8.543 -0.182 21.14 - H2S 1.871e-09 2.034e-09 -8.728 -8.692 0.036 36.27 - S-2 1.765e-14 4.255e-15 -13.753 -14.371 -0.618 (0) - (H2S)2 2.006e-19 2.181e-19 -18.698 -18.661 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.069 -70.033 0.036 30.40 +S(-2) 7.678e-09 + HS- 5.368e-09 3.534e-09 -8.270 -8.452 -0.182 21.14 + H2S 2.310e-09 2.511e-09 -8.636 -8.600 0.036 36.27 + S-2 2.179e-14 5.252e-15 -13.662 -14.280 -0.618 (0) + (H2S)2 3.056e-19 3.323e-19 -18.515 -18.479 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -27572,7 +27424,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -27584,21 +27436,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.56 -11.37 -2.80 CH4 + CH4(g) -8.47 -11.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.10 -11.20 -3.10 H2 + H2(g) -8.08 -11.18 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.70 -15.63 -7.94 H2S + H2S(g) -7.61 -15.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.09 -69.99 -2.89 O2 + O2(g) -67.14 -70.03 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.52 -0.64 4.88 S + Sulfur -5.45 -0.57 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -27622,7 +27474,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.763e-11 Surface + diffuse layer charge, eq + -8.791e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -27632,7 +27484,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -27641,14 +27493,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 - Hto 2.2885e-11 - I 1.7035e-23 + Cl 4.6657e-10 + H 1.2948e-04 + Hto 2.2883e-11 + I 1.7038e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6669e-11 + Nat 1.6668e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -27672,25 +27524,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.836e-11 3.342e-12 + Nat 2.836e-11 3.341e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.696e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -27701,36 +27553,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.136e-12 - CH4 4.136e-12 4.497e-12 -11.383 -11.347 0.036 35.46 +C(-4) 5.130e-12 + CH4 5.130e-12 5.577e-12 -11.290 -11.254 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.170e-11 - H2 5.852e-12 6.362e-12 -11.233 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.175e-12 6.714e-12 -11.209 -11.173 0.036 28.61 Hto 1.939e-10 Hto 1.939e-10 1.939e-10 -9.712 -9.712 0.000 (0) I 1.446e-10 @@ -27750,16 +27602,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.836e-11 Nat+ 2.836e-11 2.836e-11 -10.547 -10.547 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.032 -69.996 0.036 30.40 -S(-2) 6.484e-09 - HS- 4.533e-09 2.984e-09 -8.344 -8.525 -0.182 21.14 - H2S 1.950e-09 2.121e-09 -8.710 -8.674 0.036 36.27 - S-2 1.840e-14 4.435e-15 -13.735 -14.353 -0.618 (0) - (H2S)2 2.180e-19 2.370e-19 -18.662 -18.625 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.041e-09 + HS- 5.622e-09 3.701e-09 -8.250 -8.432 -0.182 21.14 + H2S 2.419e-09 2.630e-09 -8.616 -8.580 0.036 36.27 + S-2 2.282e-14 5.501e-15 -13.642 -14.260 -0.618 (0) + (H2S)2 3.352e-19 3.645e-19 -18.475 -18.438 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -27774,7 +27625,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -27786,21 +27637,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.55 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.10 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.62 -7.94 H2S + H2S(g) -7.59 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -27824,7 +27675,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -27834,7 +27685,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -27843,14 +27694,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 - Hto 5.4488e-13 + Cl 4.6657e-10 + H 1.2948e-04 + Hto 5.4484e-13 I 3.4432e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.3462e-13 + Nat 2.3459e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -27869,7 +27720,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.618e-12 5.440e-13 + Hto 4.617e-12 5.440e-13 I 2.922e-12 3.443e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -27881,18 +27732,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -27903,38 +27754,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.153e-12 - CH4 4.153e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 -Hto 4.618e-12 - Hto 4.618e-12 4.618e-12 -11.336 -11.336 0.000 (0) +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 +Hto 4.617e-12 + Hto 4.617e-12 4.617e-12 -11.336 -11.336 0.000 (0) I 2.922e-12 I- 2.922e-12 2.922e-12 -11.534 -11.534 -0.000 (0) K 1.540e-03 @@ -27952,16 +27803,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.992e-13 Nat+ 3.992e-13 3.992e-13 -12.399 -12.399 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.510e-09 - HS- 4.552e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.389e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.052e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -27976,7 +27826,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -27988,21 +27838,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -28026,7 +27876,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -28036,7 +27886,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -28045,14 +27895,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 - Hto 5.4157e-15 - I 2.9006e-27 + Cl 4.6657e-10 + H 1.2948e-04 + Hto 5.4152e-15 + I 2.9002e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3712e-15 + Nat 1.3710e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -28071,30 +27921,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.590e-14 5.407e-15 + Hto 4.589e-14 5.406e-15 I 2.462e-14 2.900e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.333e-15 2.749e-16 + Nat 2.333e-15 2.748e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -28105,38 +27955,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.514e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 -Hto 4.590e-14 - Hto 4.590e-14 4.590e-14 -13.338 -13.338 0.000 (0) +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 +Hto 4.589e-14 + Hto 4.589e-14 4.589e-14 -13.338 -13.338 0.000 (0) I 2.462e-14 I- 2.462e-14 2.462e-14 -13.609 -13.609 -0.000 (0) K 1.540e-03 @@ -28154,16 +28004,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.333e-15 Nat+ 2.333e-15 2.333e-15 -14.632 -14.632 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.508e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.524 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.452e-15 -13.734 -14.351 -0.618 (0) - (H2S)2 2.196e-19 2.388e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -28178,7 +28027,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -28190,21 +28039,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -28228,7 +28077,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -28238,7 +28087,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -28247,8 +28096,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -28279,18 +28128,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -28301,36 +28150,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -28346,14 +28195,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.509e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.388e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -28368,7 +28216,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -28380,21 +28228,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -28418,7 +28266,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -28428,7 +28276,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -28437,8 +28285,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -28469,18 +28317,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -28491,36 +28339,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.514e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -28536,14 +28384,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.508e-09 - HS- 4.550e-09 2.995e-09 -8.342 -8.524 -0.182 21.14 - H2S 1.958e-09 2.128e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.452e-15 -13.734 -14.351 -0.618 (0) - (H2S)2 2.196e-19 2.387e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -28558,7 +28405,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -28570,21 +28417,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -28608,7 +28455,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -28618,7 +28465,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -28627,8 +28474,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -28659,18 +28506,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -28681,36 +28528,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.153e-12 - CH4 4.153e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -28726,14 +28573,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.510e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.389e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -28748,7 +28594,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -28760,21 +28606,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -28798,7 +28644,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -28808,7 +28654,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -28817,8 +28663,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -28849,18 +28695,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -28871,36 +28717,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.514e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -28916,14 +28762,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.509e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.452e-15 -13.734 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.388e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -28938,7 +28783,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -28950,21 +28795,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -28988,7 +28833,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -28998,7 +28843,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -29007,8 +28852,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -29039,18 +28884,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -29061,36 +28906,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -29106,14 +28951,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.509e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.388e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -29128,7 +28972,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -29140,21 +28984,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -29178,7 +29022,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -29188,7 +29032,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -29197,8 +29041,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -29229,18 +29073,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -29251,36 +29095,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -29296,14 +29140,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.509e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.388e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -29318,7 +29161,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -29330,21 +29173,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -29368,7 +29211,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -29378,7 +29221,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -29387,8 +29230,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -29419,18 +29262,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -29441,36 +29284,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -29486,14 +29329,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.509e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.388e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -29508,7 +29350,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -29520,21 +29362,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -29558,7 +29400,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -29568,7 +29410,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -29577,8 +29419,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -29609,18 +29451,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -29631,36 +29473,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.514e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -29676,14 +29518,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.508e-09 - HS- 4.550e-09 2.995e-09 -8.342 -8.524 -0.182 21.14 - H2S 1.958e-09 2.128e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.452e-15 -13.734 -14.351 -0.618 (0) - (H2S)2 2.196e-19 2.387e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -29698,7 +29539,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -29710,21 +29551,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -29748,7 +29589,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -29758,7 +29599,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -29767,8 +29608,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -29799,18 +29640,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -29821,36 +29662,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.153e-12 - CH4 4.153e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -29866,14 +29707,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.510e-09 - HS- 4.551e-09 2.996e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.389e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -29888,7 +29728,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -29900,21 +29740,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -29938,7 +29778,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -29948,7 +29788,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -29957,8 +29797,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -29989,18 +29829,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -30011,36 +29851,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.153e-12 - CH4 4.153e-12 4.515e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -30056,14 +29896,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.510e-09 - HS- 4.552e-09 2.997e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.453e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.197e-19 2.389e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -30078,7 +29917,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -30090,21 +29929,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -30128,7 +29967,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -30138,7 +29977,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -30147,8 +29986,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -30179,18 +30018,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -30201,36 +30040,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.151e-12 - CH4 4.151e-12 4.513e-12 -11.382 -11.346 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -30246,14 +30085,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.507e-09 - HS- 4.550e-09 2.995e-09 -8.342 -8.524 -0.182 21.14 - H2S 1.958e-09 2.128e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.451e-15 -13.734 -14.352 -0.618 (0) - (H2S)2 2.195e-19 2.387e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -30268,7 +30106,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -30280,21 +30118,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -30318,7 +30156,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -30328,7 +30166,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -30337,8 +30175,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -30369,18 +30207,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -30391,36 +30229,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.514e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -30436,14 +30274,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.508e-09 - HS- 4.550e-09 2.996e-09 -8.342 -8.524 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.452e-15 -13.734 -14.351 -0.618 (0) - (H2S)2 2.196e-19 2.387e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -30458,7 +30295,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -30470,21 +30307,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -30508,7 +30345,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -30518,7 +30355,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -30527,8 +30364,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -30559,18 +30396,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -30581,36 +30418,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.152e-12 - CH4 4.152e-12 4.514e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.857e-12 6.368e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -30626,14 +30463,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.508e-09 - HS- 4.550e-09 2.996e-09 -8.342 -8.524 -0.182 21.14 - H2S 1.958e-09 2.129e-09 -8.708 -8.672 0.036 36.27 - S-2 1.847e-14 4.452e-15 -13.734 -14.351 -0.618 (0) - (H2S)2 2.196e-19 2.388e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -30648,7 +30484,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -30660,21 +30496,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -30698,7 +30534,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.762e-11 Surface + diffuse layer charge, eq + -8.790e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -30708,7 +30544,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -30717,8 +30553,8 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6659e-10 - H 1.2947e-04 + Cl 4.6657e-10 + H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -30749,18 +30585,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.695e-09 + Electrical balance (eq) = 1.352e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -30771,36 +30607,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.154e-12 - CH4 4.154e-12 4.516e-12 -11.382 -11.345 0.036 35.46 +C(-4) 5.137e-12 + CH4 5.137e-12 5.585e-12 -11.289 -11.253 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.172e-11 - H2 5.858e-12 6.369e-12 -11.232 -11.196 0.036 28.61 +H(0) 1.235e-11 + H2 6.177e-12 6.716e-12 -11.209 -11.173 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -30816,14 +30652,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.511e-09 - HS- 4.552e-09 2.997e-09 -8.342 -8.523 -0.182 21.14 - H2S 1.959e-09 2.130e-09 -8.708 -8.672 0.036 36.27 - S-2 1.848e-14 4.454e-15 -13.733 -14.351 -0.618 (0) - (H2S)2 2.198e-19 2.390e-19 -18.658 -18.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.043 0.036 30.40 +S(-2) 8.053e-09 + HS- 5.630e-09 3.706e-09 -8.249 -8.431 -0.182 21.14 + H2S 2.422e-09 2.634e-09 -8.616 -8.579 0.036 36.27 + S-2 2.285e-14 5.509e-15 -13.641 -14.259 -0.618 (0) + (H2S)2 3.362e-19 3.655e-19 -18.473 -18.437 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -30838,7 +30673,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -30850,21 +30685,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.58 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -30894,18 +30729,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -30919,8 +30754,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -30944,8 +30779,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -30965,16 +30800,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -31001,21 +30835,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -31043,18 +30877,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -31068,8 +30902,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -31093,8 +30927,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -31114,16 +30948,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -31150,21 +30983,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -31201,18 +31034,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.784 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.778 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.569e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -31226,8 +31059,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.243e-14 - CH4 2.243e-14 2.438e-14 -13.649 -13.613 0.036 35.46 +C(-4) 2.020e-14 + CH4 2.020e-14 2.196e-14 -13.695 -13.658 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -31251,8 +31084,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 3.176e-12 - H2 1.588e-12 1.726e-12 -11.799 -11.763 0.036 28.61 +H(0) 3.094e-12 + H2 1.547e-12 1.682e-12 -11.811 -11.774 0.036 28.61 Hto 7.701e-07 Hto 7.701e-07 7.701e-07 -6.113 -6.113 0.000 (0) I 8.662e-07 @@ -31272,16 +31105,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.881e-07 Nat+ 5.881e-07 5.881e-07 -6.231 -6.231 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.899 -68.863 0.036 30.40 -S(-2) 3.516e-11 - HS- 2.458e-11 1.618e-11 -10.609 -10.791 -0.182 21.14 - H2S 1.058e-11 1.150e-11 -10.976 -10.939 0.036 36.27 - S-2 9.975e-17 2.405e-17 -16.001 -16.619 -0.618 (0) - (H2S)2 6.410e-24 6.969e-24 -23.193 -23.157 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.877 -68.840 0.036 30.40 +S(-2) 3.167e-11 + HS- 2.214e-11 1.458e-11 -10.655 -10.836 -0.182 21.14 + H2S 9.527e-12 1.036e-11 -11.021 -10.985 0.036 36.27 + S-2 8.985e-17 2.166e-17 -16.046 -16.664 -0.618 (0) + (H2S)2 5.200e-24 5.654e-24 -23.284 -23.248 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -31308,21 +31140,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.81 -13.61 -2.80 CH4 + CH4(g) -10.86 -13.66 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.66 -11.76 -3.10 H2 + H2(g) -8.67 -11.77 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.94 -17.88 -7.94 H2S + H2S(g) -9.99 -17.93 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -65.97 -68.86 -2.89 O2 + O2(g) -65.95 -68.84 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.21 -2.33 4.88 S + Sulfur -7.24 -2.36 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -31346,7 +31178,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.326e-13 Surface + diffuse layer charge, eq + -1.270e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -31356,7 +31188,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -31368,7 +31200,7 @@ Su Cl 4.6666e-10 H 1.2947e-04 Hto 4.8374e-08 - I 5.7598e-20 + I 5.7592e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -31403,18 +31235,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.925 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.916 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.012e-09 + Electrical balance (eq) = 1.755e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (20 overall) Total H = 1.307864e+01 @@ -31428,8 +31260,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.024e-13 - CH4 3.024e-13 3.288e-13 -12.519 -12.483 0.036 35.46 +C(-4) 2.549e-13 + CH4 2.549e-13 2.771e-13 -12.594 -12.557 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -31453,8 +31285,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 6.085e-12 - H2 3.043e-12 3.308e-12 -11.517 -11.480 0.036 28.61 +H(0) 5.831e-12 + H2 2.915e-12 3.170e-12 -11.535 -11.499 0.036 28.61 Hto 4.099e-07 Hto 4.099e-07 4.099e-07 -6.387 -6.387 0.000 (0) I 4.888e-07 @@ -31474,16 +31306,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.613e-07 Nat+ 2.613e-07 2.613e-07 -6.583 -6.583 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.464 -69.428 0.036 30.40 -S(-2) 4.741e-10 - HS- 3.315e-10 2.182e-10 -9.480 -9.661 -0.182 21.14 - H2S 1.426e-10 1.551e-10 -9.846 -9.809 0.036 36.27 - S-2 1.345e-15 3.243e-16 -14.871 -15.489 -0.618 (0) - (H2S)2 1.166e-21 1.267e-21 -20.933 -20.897 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.427 -69.391 0.036 30.40 +S(-2) 3.996e-10 + HS- 2.794e-10 1.839e-10 -9.554 -9.735 -0.182 21.14 + H2S 1.202e-10 1.307e-10 -9.920 -9.884 0.036 36.27 + S-2 1.134e-15 2.733e-16 -14.945 -15.563 -0.618 (0) + (H2S)2 8.281e-22 9.003e-22 -21.082 -21.046 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -31510,21 +31341,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.68 -12.48 -2.80 CH4 + CH4(g) -9.76 -12.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.38 -11.48 -3.10 H2 + H2(g) -8.40 -11.50 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.81 -16.75 -7.94 H2S + H2S(g) -8.89 -16.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.54 -69.43 -2.89 O2 + O2(g) -66.50 -69.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.36 -1.48 4.88 S + Sulfur -6.42 -1.53 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -31548,7 +31379,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.826e-11 Surface + diffuse layer charge, eq + -8.801e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -31558,7 +31389,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -31567,9 +31398,9 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6663e-10 H 1.2947e-04 - Hto 8.2953e-09 + Hto 8.2951e-09 I 8.5646e-21 K 8.9156e-04 Mg 4.6365e-02 @@ -31598,25 +31429,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.889e-08 3.404e-09 + Nat 2.889e-08 3.403e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.018 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.493e-09 + Electrical balance (eq) = 5.876e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -31628,35 +31459,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.134e-12 - CH4 3.134e-12 3.407e-12 -11.504 -11.468 0.036 35.46 +C(-4) 1.673e-12 + CH4 1.673e-12 1.819e-12 -11.777 -11.740 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.092e-11 - H2 5.459e-12 5.936e-12 -11.263 -11.227 0.036 28.61 + HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) +H(0) 9.333e-12 + H2 4.666e-12 5.073e-12 -11.331 -11.295 0.036 28.61 Hto 7.030e-08 Hto 7.030e-08 7.030e-08 -7.153 -7.153 0.000 (0) I 7.270e-08 @@ -31664,7 +31495,7 @@ I 7.270e-08 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -31676,16 +31507,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.889e-08 Nat+ 2.889e-08 2.889e-08 -7.539 -7.539 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.972 -69.936 0.036 30.40 -S(-2) 4.913e-09 - HS- 3.435e-09 2.261e-09 -8.464 -8.646 -0.182 21.14 - H2S 1.478e-09 1.607e-09 -8.830 -8.794 0.036 36.27 - S-2 1.394e-14 3.361e-15 -13.856 -14.474 -0.618 (0) - (H2S)2 1.251e-19 1.361e-19 -18.903 -18.866 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.836 -69.799 0.036 30.40 +S(-2) 2.623e-09 + HS- 1.834e-09 1.207e-09 -8.737 -8.918 -0.182 21.14 + H2S 7.890e-10 8.578e-10 -9.103 -9.067 0.036 36.27 + S-2 7.442e-15 1.794e-15 -14.128 -14.746 -0.618 (0) + (H2S)2 3.567e-20 3.878e-20 -19.448 -19.411 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -31695,13 +31525,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -31712,21 +31542,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.94 -11.74 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.19 -11.29 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -8.07 -16.01 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -66.91 -69.80 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.80 -0.92 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -31750,7 +31580,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.796e-11 Surface + diffuse layer charge, eq + -8.801e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -31760,7 +31590,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -31769,10 +31599,10 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 - Hto 8.0990e-10 - I 7.1655e-22 + Hto 8.0987e-10 + I 7.1644e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -31795,7 +31625,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.864e-09 8.086e-10 + Hto 6.863e-09 8.086e-10 I 6.081e-09 7.164e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -31807,18 +31637,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.076 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.085 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.615e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -31830,13 +31660,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.910e-12 - CH4 4.910e-12 5.339e-12 -11.309 -11.273 0.036 35.46 +C(-4) 5.778e-12 + CH4 5.778e-12 6.282e-12 -11.238 -11.202 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -31857,10 +31687,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.222e-11 - H2 6.108e-12 6.641e-12 -11.214 -11.178 0.036 28.61 -Hto 6.864e-09 - Hto 6.864e-09 6.864e-09 -8.163 -8.163 0.000 (0) +H(0) 1.272e-11 + H2 6.362e-12 6.917e-12 -11.196 -11.160 0.036 28.61 +Hto 6.863e-09 + Hto 6.863e-09 6.863e-09 -8.163 -8.163 0.000 (0) I 6.081e-09 I- 6.081e-09 6.081e-09 -8.216 -8.216 -0.000 (0) K 1.540e-03 @@ -31878,16 +31708,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.727e-09 Nat+ 1.727e-09 1.727e-09 -8.763 -8.763 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.070 -70.033 0.036 30.40 -S(-2) 7.697e-09 - HS- 5.382e-09 3.543e-09 -8.269 -8.451 -0.182 21.14 - H2S 2.315e-09 2.517e-09 -8.635 -8.599 0.036 36.27 - S-2 2.184e-14 5.265e-15 -13.661 -14.279 -0.618 (0) - (H2S)2 3.071e-19 3.339e-19 -18.513 -18.476 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.105 -70.069 0.036 30.40 +S(-2) 9.058e-09 + HS- 6.333e-09 4.169e-09 -8.198 -8.380 -0.182 21.14 + H2S 2.725e-09 2.962e-09 -8.565 -8.528 0.036 36.27 + S-2 2.571e-14 6.197e-15 -13.590 -14.208 -0.618 (0) + (H2S)2 4.253e-19 4.624e-19 -18.371 -18.335 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -31914,21 +31743,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.47 -11.27 -2.80 CH4 + CH4(g) -8.40 -11.20 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.08 -11.18 -3.10 H2 + H2(g) -8.06 -11.16 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.60 -15.54 -7.94 H2S + H2S(g) -7.53 -15.47 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.14 -70.03 -2.89 O2 + O2(g) -67.18 -70.07 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.45 -0.57 4.88 S + Sulfur -5.40 -0.52 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -31952,7 +31781,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.793e-11 Surface + diffuse layer charge, eq + -8.821e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -31962,7 +31791,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -31971,14 +31800,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 - Hto 4.7894e-11 + Hto 4.7891e-11 I 3.6099e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5971e-11 + Nat 3.5968e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -31997,30 +31826,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.059e-10 4.782e-11 + Hto 4.059e-10 4.781e-11 I 3.064e-10 3.610e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.121e-11 7.211e-12 + Nat 6.120e-11 7.210e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -32032,13 +31861,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.149e-12 - CH4 5.149e-12 5.598e-12 -11.288 -11.252 0.036 35.46 +C(-4) 6.139e-12 + CH4 6.139e-12 6.675e-12 -11.212 -11.176 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -32055,12 +31884,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.236e-11 - H2 6.181e-12 6.720e-12 -11.209 -11.173 0.036 28.61 +H(0) 1.292e-11 + H2 6.459e-12 7.022e-12 -11.190 -11.154 0.036 28.61 Hto 4.059e-10 Hto 4.059e-10 4.059e-10 -9.392 -9.392 0.000 (0) I 3.064e-10 @@ -32080,16 +31909,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 6.121e-11 - Nat+ 6.121e-11 6.121e-11 -10.213 -10.213 -0.000 (0) +Nat 6.120e-11 + Nat+ 6.120e-11 6.120e-11 -10.213 -10.213 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.080 -70.044 0.036 30.40 -S(-2) 8.071e-09 - HS- 5.643e-09 3.715e-09 -8.248 -8.430 -0.182 21.14 - H2S 2.428e-09 2.640e-09 -8.615 -8.578 0.036 36.27 - S-2 2.290e-14 5.521e-15 -13.640 -14.258 -0.618 (0) - (H2S)2 3.377e-19 3.672e-19 -18.471 -18.435 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.118 -70.082 0.036 30.40 +S(-2) 9.623e-09 + HS- 6.729e-09 4.429e-09 -8.172 -8.354 -0.182 21.14 + H2S 2.895e-09 3.147e-09 -8.538 -8.502 0.036 36.27 + S-2 2.731e-14 6.583e-15 -13.564 -14.182 -0.618 (0) + (H2S)2 4.801e-19 5.219e-19 -18.319 -18.282 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -32099,7 +31927,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -32116,21 +31944,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.18 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.56 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -32154,7 +31982,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -32164,7 +31992,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -32173,14 +32001,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 - Hto 1.7070e-12 - I 1.0933e-24 + Hto 1.7069e-12 + I 1.0931e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.6029e-13 + Nat 7.6019e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -32211,18 +32039,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.607e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -32234,13 +32062,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.171e-12 - CH4 5.171e-12 5.622e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -32257,12 +32085,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 Hto 1.447e-11 Hto 1.447e-11 1.447e-11 -10.840 -10.840 0.000 (0) I 9.279e-12 @@ -32282,16 +32110,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.294e-12 Nat+ 1.294e-12 1.294e-12 -11.888 -11.888 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.106e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.438e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.545e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.827e-19 5.248e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -32301,7 +32128,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -32318,21 +32145,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -32356,7 +32183,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -32366,7 +32193,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -32375,14 +32202,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 - Hto 3.3885e-14 - I 1.8406e-26 + Hto 3.3881e-14 + I 1.8403e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.8946e-15 + Nat 8.8932e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -32401,30 +32228,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.872e-13 3.383e-14 + Hto 2.871e-13 3.383e-14 I 1.562e-13 1.840e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.514e-14 1.783e-15 + Nat 1.513e-14 1.783e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -32436,13 +32263,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.171e-12 - CH4 5.171e-12 5.622e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -32459,14 +32286,14 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 -Hto 2.872e-13 - Hto 2.872e-13 2.872e-13 -12.542 -12.542 0.000 (0) + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 +Hto 2.871e-13 + Hto 2.871e-13 2.871e-13 -12.542 -12.542 0.000 (0) I 1.562e-13 I- 1.562e-13 1.562e-13 -12.806 -12.806 -0.000 (0) K 1.540e-03 @@ -32484,16 +32311,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 1.514e-14 - Nat+ 1.514e-14 1.514e-14 -13.820 -13.820 -0.000 (0) +Nat 1.513e-14 + Nat+ 1.513e-14 1.513e-14 -13.820 -13.820 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.106e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.438e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.300e-14 5.545e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -32503,7 +32329,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -32520,21 +32346,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -32558,7 +32384,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -32568,7 +32394,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -32577,14 +32403,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 - Hto 2.8870e-16 + Hto 2.8867e-16 I 1.3285e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.4490e-17 + Nat 4.4482e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -32603,30 +32429,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.447e-15 2.882e-16 + Hto 2.446e-15 2.882e-16 I 1.128e-15 1.328e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.571e-17 8.919e-18 + Nat 7.569e-17 8.917e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -32638,13 +32464,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -32661,14 +32487,14 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 -Hto 2.447e-15 - Hto 2.447e-15 2.447e-15 -14.611 -14.611 0.000 (0) + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 +Hto 2.446e-15 + Hto 2.446e-15 2.446e-15 -14.611 -14.611 0.000 (0) I 1.128e-15 I- 1.128e-15 1.128e-15 -14.948 -14.948 -0.000 (0) K 1.540e-03 @@ -32686,16 +32512,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 7.571e-17 - Nat+ 7.571e-17 7.571e-17 -16.121 -16.121 -0.000 (0) +Nat 7.569e-17 + Nat+ 7.569e-17 7.569e-17 -16.121 -16.121 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.107e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -32705,7 +32530,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -32722,21 +32547,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -32760,7 +32585,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -32770,7 +32595,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -32779,7 +32604,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -32811,18 +32636,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -32834,13 +32659,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.171e-12 - CH4 5.171e-12 5.622e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -32857,12 +32682,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.237e-11 - H2 6.187e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -32878,14 +32703,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.106e-09 - HS- 5.667e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.438e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.300e-14 5.545e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.406e-19 3.703e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -32895,7 +32719,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -32912,21 +32736,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -32950,7 +32774,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -32960,7 +32784,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -32969,7 +32793,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -33001,18 +32825,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.607e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -33024,13 +32848,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -33047,12 +32871,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.728e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -33068,14 +32892,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.107e-09 - HS- 5.668e-09 3.732e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.705e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -33085,7 +32908,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -33102,21 +32925,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -33140,7 +32963,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -33150,7 +32973,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -33159,7 +32982,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -33191,18 +33014,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -33214,13 +33037,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -33237,12 +33060,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -33258,14 +33081,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.107e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -33275,7 +33097,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -33292,21 +33114,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -33330,7 +33152,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -33340,7 +33162,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -33349,7 +33171,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -33381,18 +33203,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -33404,13 +33226,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -33427,12 +33249,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -33448,14 +33270,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.107e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -33465,7 +33286,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -33482,21 +33303,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -33520,7 +33341,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -33530,7 +33351,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -33539,7 +33360,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -33571,18 +33392,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -33594,13 +33415,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -33617,12 +33438,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -33638,14 +33459,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.107e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -33655,7 +33475,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -33672,21 +33492,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -33710,7 +33530,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -33720,7 +33540,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -33729,7 +33549,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -33761,18 +33581,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -33784,13 +33604,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -33807,12 +33627,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -33828,14 +33648,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.107e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -33845,7 +33664,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -33862,21 +33681,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -33900,7 +33719,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -33910,7 +33729,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -33919,7 +33738,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -33951,18 +33770,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -33974,13 +33793,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.171e-12 - CH4 5.171e-12 5.622e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -33997,12 +33816,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.237e-11 - H2 6.187e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -34018,14 +33837,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.106e-09 - HS- 5.667e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.438e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.300e-14 5.545e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.406e-19 3.703e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -34035,7 +33853,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -34052,21 +33870,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -34090,7 +33908,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -34100,7 +33918,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -34109,7 +33927,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -34141,18 +33959,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -34164,13 +33982,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -34187,12 +34005,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.728e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -34208,14 +34026,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.107e-09 - HS- 5.668e-09 3.732e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.407e-19 3.705e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -34225,7 +34042,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -34242,21 +34059,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -34280,7 +34097,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -34290,7 +34107,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -34299,7 +34116,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -34331,18 +34148,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.607e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -34354,13 +34171,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.172e-12 - CH4 5.172e-12 5.623e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -34377,12 +34194,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.728e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -34398,14 +34215,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.045 0.036 30.40 -S(-2) 8.108e-09 - HS- 5.669e-09 3.732e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.439e-09 2.652e-09 -8.613 -8.576 0.036 36.27 - S-2 2.301e-14 5.546e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.408e-19 3.705e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -34415,7 +34231,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -34432,21 +34248,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -34470,7 +34286,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -34480,7 +34296,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -34489,7 +34305,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -34521,18 +34337,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -34544,13 +34360,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.170e-12 - CH4 5.170e-12 5.622e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -34567,12 +34383,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.237e-11 - H2 6.187e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -34588,14 +34404,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.105e-09 - HS- 5.667e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.438e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.300e-14 5.545e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.406e-19 3.703e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -34605,7 +34420,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -34622,21 +34437,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -34660,7 +34475,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -34670,7 +34485,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -34679,7 +34494,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -34711,18 +34526,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -34734,13 +34549,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.171e-12 - CH4 5.171e-12 5.622e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -34757,12 +34572,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.237e-11 - H2 6.187e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -34778,14 +34593,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.106e-09 - HS- 5.667e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.438e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.300e-14 5.545e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.406e-19 3.703e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -34795,7 +34609,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -34812,21 +34626,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -34850,7 +34664,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -34860,7 +34674,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -34869,7 +34683,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -34901,18 +34715,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.608e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -34924,13 +34738,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.171e-12 - CH4 5.171e-12 5.622e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -34947,12 +34761,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.727e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -34968,14 +34782,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.044 0.036 30.40 -S(-2) 8.106e-09 - HS- 5.668e-09 3.731e-09 -8.247 -8.428 -0.182 21.14 - H2S 2.438e-09 2.651e-09 -8.613 -8.577 0.036 36.27 - S-2 2.300e-14 5.545e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.406e-19 3.704e-19 -18.468 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -34985,7 +34798,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -35002,21 +34815,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -35040,7 +34853,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.791e-11 Surface + diffuse layer charge, eq + -8.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -35050,7 +34863,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -35059,7 +34872,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 + Cl 4.6655e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -35091,18 +34904,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.079 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.607e-09 + Electrical balance (eq) = 1.265e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -35114,13 +34927,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.173e-12 - CH4 5.173e-12 5.624e-12 -11.286 -11.250 0.036 35.46 +C(-4) 6.156e-12 + CH4 6.156e-12 6.693e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -35137,12 +34950,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.238e-11 - H2 6.188e-12 6.728e-12 -11.208 -11.172 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -35158,14 +34971,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.081 -70.045 0.036 30.40 -S(-2) 8.109e-09 - HS- 5.670e-09 3.732e-09 -8.246 -8.428 -0.182 21.14 - H2S 2.439e-09 2.652e-09 -8.613 -8.576 0.036 36.27 - S-2 2.301e-14 5.547e-15 -13.638 -14.256 -0.618 (0) - (H2S)2 3.409e-19 3.706e-19 -18.467 -18.431 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.650e-09 + HS- 6.747e-09 4.442e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.903e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.739e-14 6.602e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.828e-19 5.249e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -35175,7 +34987,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -35192,21 +35004,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.37 -11.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.52 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.55 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -35236,18 +35048,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -35261,8 +35073,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -35286,8 +35098,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -35307,16 +35119,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -35343,21 +35154,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -35385,18 +35196,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -35410,8 +35221,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -35435,8 +35246,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -35456,16 +35267,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -35492,21 +35302,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -35543,18 +35353,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.798 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.792 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -35568,15 +35378,15 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.931e-14 - CH4 2.931e-14 3.187e-14 -13.533 -13.497 0.036 35.46 +C(-4) 2.596e-14 + CH4 2.596e-14 2.823e-14 -13.586 -13.549 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 @@ -35587,14 +35397,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.791e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 3.395e-12 - H2 1.698e-12 1.846e-12 -11.770 -11.734 0.036 28.61 +H(0) 3.294e-12 + H2 1.647e-12 1.791e-12 -11.783 -11.747 0.036 28.61 Hto 7.520e-07 Hto 7.520e-07 7.520e-07 -6.124 -6.124 0.000 (0) I 8.553e-07 @@ -35614,16 +35424,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.581e-07 Nat+ 5.581e-07 5.581e-07 -6.253 -6.253 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.957 -68.921 0.036 30.40 -S(-2) 4.595e-11 - HS- 3.213e-11 2.115e-11 -10.493 -10.675 -0.182 21.14 - H2S 1.382e-11 1.503e-11 -10.859 -10.823 0.036 36.27 - S-2 1.304e-16 3.143e-17 -15.885 -16.503 -0.618 (0) - (H2S)2 1.095e-23 1.190e-23 -22.961 -22.924 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.931 -68.895 0.036 30.40 +S(-2) 4.070e-11 + HS- 2.846e-11 1.873e-11 -10.546 -10.727 -0.182 21.14 + H2S 1.224e-11 1.331e-11 -10.912 -10.876 0.036 36.27 + S-2 1.155e-16 2.784e-17 -15.938 -16.555 -0.618 (0) + (H2S)2 8.590e-24 9.339e-24 -23.066 -23.030 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -35650,21 +35459,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.69 -13.50 -2.80 CH4 + CH4(g) -10.75 -13.55 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.63 -11.73 -3.10 H2 + H2(g) -8.65 -11.75 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.83 -17.76 -7.94 H2S + H2S(g) -9.88 -17.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.03 -68.92 -2.89 O2 + O2(g) -66.00 -68.89 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.12 -2.24 4.88 S + Sulfur -7.16 -2.28 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -35688,7 +35497,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -7.916e-14 Surface + diffuse layer charge, eq + -1.348e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -35698,7 +35507,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -35710,11 +35519,11 @@ Su Cl 4.6666e-10 H 1.2947e-04 Hto 5.0768e-08 - I 6.0761e-20 + I 6.0775e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6158e-07 + Nat 1.6157e-07 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -35745,20 +35554,20 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.934 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.928 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.013e-09 + Electrical balance (eq) = 1.746e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (21 overall) + Iterations = 0 (20 overall) Total H = 1.307864e+01 Total O = 6.546049e+00 @@ -35770,8 +35579,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.608e-13 - CH4 3.608e-13 3.923e-13 -12.443 -12.406 0.036 35.46 +C(-4) 3.223e-13 + CH4 3.223e-13 3.505e-13 -12.492 -12.455 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -35795,8 +35604,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 6.360e-12 - H2 3.180e-12 3.457e-12 -11.498 -11.461 0.036 28.61 +H(0) 6.183e-12 + H2 3.092e-12 3.361e-12 -11.510 -11.473 0.036 28.61 Hto 4.302e-07 Hto 4.302e-07 4.302e-07 -6.366 -6.366 0.000 (0) I 5.158e-07 @@ -35816,16 +35625,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.749e-07 Nat+ 2.749e-07 2.749e-07 -6.561 -6.561 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.503 -69.466 0.036 30.40 -S(-2) 5.656e-10 - HS- 3.955e-10 2.603e-10 -9.403 -9.584 -0.182 21.14 - H2S 1.702e-10 1.850e-10 -9.769 -9.733 0.036 36.27 - S-2 1.605e-15 3.868e-16 -14.795 -15.412 -0.618 (0) - (H2S)2 1.659e-21 1.804e-21 -20.780 -20.744 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.478 -69.442 0.036 30.40 +S(-2) 5.053e-10 + HS- 3.533e-10 2.326e-10 -9.452 -9.633 -0.182 21.14 + H2S 1.520e-10 1.653e-10 -9.818 -9.782 0.036 36.27 + S-2 1.434e-15 3.456e-16 -14.844 -15.461 -0.618 (0) + (H2S)2 1.324e-21 1.440e-21 -20.878 -20.842 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -35852,21 +35660,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.60 -12.41 -2.80 CH4 + CH4(g) -9.65 -12.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.36 -11.46 -3.10 H2 + H2(g) -8.37 -11.47 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.74 -16.67 -7.94 H2S + H2S(g) -8.79 -16.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.57 -69.47 -2.89 O2 + O2(g) -66.55 -69.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.30 -1.42 4.88 S + Sulfur -6.34 -1.46 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -35890,7 +35698,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.853e-11 Surface + diffuse layer charge, eq + -8.829e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -35900,7 +35708,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -35909,14 +35717,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6658e-10 + Cl 4.6661e-10 H 1.2947e-04 Hto 1.0033e-08 - I 1.0451e-20 + I 1.0452e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0891e-08 + Nat 2.0890e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -35947,18 +35755,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.047 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.405e-09 + Electrical balance (eq) = 5.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -35972,33 +35780,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.149e-12 - CH4 4.149e-12 4.511e-12 -11.382 -11.346 0.036 35.46 +C(-4) 2.854e-12 + CH4 2.854e-12 3.103e-12 -11.544 -11.508 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.171e-11 - H2 5.856e-12 6.367e-12 -11.232 -11.196 0.036 28.61 + HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) +H(0) 1.067e-11 + H2 5.333e-12 5.798e-12 -11.273 -11.237 0.036 28.61 Hto 8.502e-08 Hto 8.502e-08 8.502e-08 -7.070 -7.070 0.000 (0) I 8.870e-08 @@ -36012,22 +35820,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 Nat 3.555e-08 Nat+ 3.555e-08 3.555e-08 -7.449 -7.449 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 -S(-2) 6.504e-09 - HS- 4.547e-09 2.994e-09 -8.342 -8.524 -0.182 21.14 - H2S 1.956e-09 2.127e-09 -8.709 -8.672 0.036 36.27 - S-2 1.846e-14 4.449e-15 -13.734 -14.352 -0.618 (0) - (H2S)2 2.193e-19 2.384e-19 -18.659 -18.623 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.952 -69.915 0.036 30.40 +S(-2) 4.475e-09 + HS- 3.128e-09 2.060e-09 -8.505 -8.686 -0.182 21.14 + H2S 1.346e-09 1.464e-09 -8.871 -8.835 0.036 36.27 + S-2 1.270e-14 3.061e-15 -13.896 -14.514 -0.618 (0) + (H2S)2 1.038e-19 1.129e-19 -18.984 -18.947 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -36036,14 +35843,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -36054,21 +35861,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.35 -2.80 CH4 + CH4(g) -8.71 -11.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.14 -11.24 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.84 -15.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -70.00 -2.89 O2 + O2(g) -67.02 -69.92 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.63 4.88 S + Sulfur -5.63 -0.75 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -36092,7 +35899,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.829e-11 Surface + diffuse layer charge, eq + -8.834e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -36102,7 +35909,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -36111,14 +35918,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6654e-10 H 1.2948e-04 Hto 1.1683e-09 I 1.0447e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5010e-09 + Nat 1.5009e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -36149,220 +35956,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.086 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 - Density (g/cm³) = 1.01108 - Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 - Activity of water = 0.990 - Ionic strength (mol/kgw) = 3.632e-01 - Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 - Total CO2 (mol/kg) = 2.744e-03 - Temperature (°C) = 25.00 - Electrical balance (eq) = 1.527e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (14 overall) - Total H = 1.307864e+01 - Total O = 6.546049e+00 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 - H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.861e-12 - CH4 5.861e-12 6.373e-12 -11.232 -11.196 0.036 35.46 -C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 -Ca 2.590e-02 - Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) -Cl 3.000e-01 - Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.277e-11 - H2 6.384e-12 6.941e-12 -11.195 -11.159 0.036 28.61 -Hto 9.901e-09 - Hto 9.901e-09 9.901e-09 -8.004 -8.004 0.000 (0) -I 8.868e-09 - I- 8.868e-09 8.868e-09 -8.052 -8.052 -0.000 (0) -K 1.540e-03 - K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 -Mg 1.720e-02 - Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) -Na 2.390e-01 - Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.554e-09 - Nat+ 2.554e-09 2.554e-09 -8.593 -8.593 -0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.108 -70.072 0.036 30.40 -S(-2) 9.188e-09 - HS- 6.424e-09 4.229e-09 -8.192 -8.374 -0.182 21.14 - H2S 2.764e-09 3.005e-09 -8.559 -8.522 0.036 36.27 - S-2 2.608e-14 6.285e-15 -13.584 -14.202 -0.618 (0) - (H2S)2 4.376e-19 4.758e-19 -18.359 -18.323 0.036 30.09 -S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) -Sr 5.000e-04 - Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - Anhydrite -0.81 -5.09 -4.28 CaSO4 - Aragonite 0.10 -8.23 -8.34 CaCO3 - Arcanite -7.03 -8.91 -1.88 K2SO4 - Calcite 0.25 -8.23 -8.48 CaCO3 - Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.39 -11.20 -2.80 CH4 - CO2(g) -2.09 -3.56 -1.47 CO2 - Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 - Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O - Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.06 -11.16 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.53 -15.46 -7.94 H2S - Halite -3.04 -1.47 1.57 NaCl - Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O - Kieserite -4.08 -5.24 -1.16 MgSO4:H2O - Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.18 -70.07 -2.89 O2 - Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.40 -0.51 4.88 S - Sylvite -4.59 -3.69 0.90 KCl - Thenardite -4.16 -4.46 -0.30 Na2SO4 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Using solution 7. Solution after simulation 4. -Using surface 7. -Using kinetics 7. - -Kinetics 7. - - Time: 4.8e+06 seconds - Time step: 600000 seconds - - Rate name Delta Moles Total Moles Reactant Coefficient - - -------------------------------Surface composition------------------------------ - -Diffuse Double Layer Surface-Complexation Model - -Su - -8.823e-11 Surface + diffuse layer charge, eq - -3.770e-01 Surface charge, eq - -3.638e-01 sigma, C/m² - -1.203e-01 psi, V - 4.681e+00 -F*psi/RT - 1.079e+02 exp(-F*psi/RT) - 1.000e+05 specific area, m²/g - 1.000e+05 m² for 1.000e+00 g - - Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. - - Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = -4.125e-02 V. - Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). - - Element Moles - C 1.6145e-04 - Ca 7.1884e-02 - Cl 4.6655e-10 - H 1.2948e-04 - Hto 8.6053e-11 - I 6.5657e-23 - K 8.9156e-04 - Mg 4.6365e-02 - Na 1.3761e-01 - Nat 6.6589e-11 - O 1.7087e-03 - S 3.1372e-04 - Sr 1.3747e-03 - -Su - 3.770e-01 moles - Mole Log - Species Moles Fraction Molality Molality - - Su- 3.770e-01 1.000 3.200e+00 0.505 - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - C 2.744e-03 3.233e-04 - Ca 2.590e-02 3.051e-03 - Cl 3.000e-01 3.535e-02 - Hto 7.293e-10 8.591e-11 - I 5.573e-10 6.565e-11 - K 1.540e-03 1.814e-04 - Mg 1.720e-02 2.026e-03 - Na 2.390e-01 2.816e-02 - Nat 1.133e-10 1.335e-11 - S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 - -----------------------------Description of solution---------------------------- - - pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.093 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.177e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -36376,37 +35981,37 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.158e-12 - CH4 6.158e-12 6.696e-12 -11.211 -11.174 0.036 35.46 +C(-4) 6.631e-12 + CH4 6.631e-12 7.210e-12 -11.178 -11.142 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.293e-11 - H2 6.464e-12 7.028e-12 -11.190 -11.153 0.036 28.61 -Hto 7.293e-10 - Hto 7.293e-10 7.293e-10 -9.137 -9.137 0.000 (0) -I 5.573e-10 - I- 5.573e-10 5.573e-10 -9.254 -9.254 -0.000 (0) + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.317e-11 + H2 6.585e-12 7.159e-12 -11.181 -11.145 0.036 28.61 +Hto 9.901e-09 + Hto 9.901e-09 9.901e-09 -8.004 -8.004 0.000 (0) +I 8.868e-09 + I- 8.868e-09 8.868e-09 -8.052 -8.052 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -36416,22 +36021,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 1.133e-10 - Nat+ 1.133e-10 1.133e-10 -9.946 -9.946 -0.000 (0) +Nat 2.554e-09 + Nat+ 2.554e-09 2.554e-09 -8.593 -8.593 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 -S(-2) 9.654e-09 - HS- 6.750e-09 4.443e-09 -8.171 -8.352 -0.182 21.14 - H2S 2.904e-09 3.157e-09 -8.537 -8.501 0.036 36.27 - S-2 2.740e-14 6.604e-15 -13.562 -14.180 -0.618 (0) - (H2S)2 4.831e-19 5.252e-19 -18.316 -18.280 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.135 -70.098 0.036 30.40 +S(-2) 1.039e-08 + HS- 7.268e-09 4.785e-09 -8.139 -8.320 -0.182 21.14 + H2S 3.127e-09 3.399e-09 -8.505 -8.469 0.036 36.27 + S-2 2.950e-14 7.111e-15 -13.530 -14.148 -0.618 (0) + (H2S)2 5.601e-19 6.090e-19 -18.252 -18.215 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -36440,14 +36044,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -36458,32 +36062,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.34 -11.14 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.51 -15.44 -7.94 H2S + H2S(g) -7.47 -15.41 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.21 -70.10 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.36 -0.47 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 8. Solution after simulation 4. -Using surface 8. -Using kinetics 8. +Using solution 7. Solution after simulation 4. +Using surface 7. +Using kinetics 7. -Kinetics 8. +Kinetics 7. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -36496,7 +36100,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.850e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -36506,7 +36110,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -36515,14 +36119,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 - Hto 4.0799e-12 - I 2.6475e-24 + Hto 8.6048e-11 + I 6.5657e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8784e-12 + Nat 6.6582e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -36541,30 +36145,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.458e-11 4.073e-12 - I 2.247e-11 2.647e-12 + Hto 7.292e-10 8.591e-11 + I 5.573e-10 6.565e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.196e-12 3.765e-13 + Nat 1.133e-10 1.335e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.519e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -36578,37 +36182,37 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.190e-12 - CH4 6.190e-12 6.730e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.143e-12 + CH4 7.143e-12 7.766e-12 -11.146 -11.110 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 -Hto 3.458e-11 - Hto 3.458e-11 3.458e-11 -10.461 -10.461 0.000 (0) -I 2.247e-11 - I- 2.247e-11 2.247e-11 -10.648 -10.648 -0.000 (0) +H(0) 1.342e-11 + H2 6.708e-12 7.293e-12 -11.173 -11.137 0.036 28.61 +Hto 7.292e-10 + Hto 7.292e-10 7.292e-10 -9.137 -9.137 0.000 (0) +I 5.573e-10 + I- 5.573e-10 5.573e-10 -9.254 -9.254 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -36618,22 +36222,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 3.196e-12 - Nat+ 3.196e-12 3.196e-12 -11.495 -11.495 -0.000 (0) +Nat 1.133e-10 + Nat+ 1.133e-10 1.133e-10 -9.946 -9.946 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.703e-09 - HS- 6.784e-09 4.466e-09 -8.169 -8.350 -0.182 21.14 - H2S 2.919e-09 3.173e-09 -8.535 -8.499 0.036 36.27 - S-2 2.754e-14 6.638e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.880e-19 5.306e-19 -18.312 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.151 -70.115 0.036 30.40 +S(-2) 1.120e-08 + HS- 7.829e-09 5.154e-09 -8.106 -8.288 -0.182 21.14 + H2S 3.368e-09 3.662e-09 -8.473 -8.436 0.036 36.27 + S-2 3.178e-14 7.661e-15 -13.498 -14.116 -0.618 (0) + (H2S)2 6.499e-19 7.066e-19 -18.187 -18.151 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -36642,14 +36245,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -36660,32 +36263,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.11 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 9. Solution after simulation 4. -Using surface 9. -Using kinetics 9. +Using solution 8. Solution after simulation 4. +Using surface 8. +Using kinetics 8. -Kinetics 9. +Kinetics 8. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -36698,7 +36301,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -36708,7 +36311,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -36717,14 +36320,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 - Hto 1.2128e-13 - I 6.6782e-26 + Hto 4.0796e-12 + I 2.6471e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2987e-14 + Nat 1.8781e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -36743,30 +36346,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.028e-12 1.211e-13 - I 5.669e-13 6.679e-14 + Hto 3.457e-11 4.073e-12 + I 2.247e-11 2.647e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.613e-14 6.613e-15 + Nat 3.196e-12 3.765e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -36780,37 +36383,37 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.175e-12 + CH4 7.175e-12 7.800e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 -Hto 1.028e-12 - Hto 1.028e-12 1.028e-12 -11.988 -11.988 0.000 (0) -I 5.669e-13 - I- 5.669e-13 5.669e-13 -12.246 -12.246 -0.000 (0) +H(0) 1.343e-11 + H2 6.716e-12 7.301e-12 -11.173 -11.137 0.036 28.61 +Hto 3.457e-11 + Hto 3.457e-11 3.457e-11 -10.461 -10.461 0.000 (0) +I 2.247e-11 + I- 2.247e-11 2.247e-11 -10.648 -10.648 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -36820,22 +36423,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 5.613e-14 - Nat+ 5.613e-14 5.613e-14 -13.251 -13.251 -0.000 (0) +Nat 3.196e-12 + Nat+ 3.196e-12 3.196e-12 -11.495 -11.495 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.704e-09 - HS- 6.785e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.307e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.863e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.678e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.694e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.556e-19 7.128e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -36844,14 +36446,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -36862,32 +36464,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 10. Solution after simulation 4. -Using surface 10. -Using kinetics 10. +Using solution 9. Solution after simulation 4. +Using surface 9. +Using kinetics 9. -Kinetics 10. +Kinetics 9. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -36900,7 +36502,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -36910,7 +36512,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -36919,14 +36521,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 - Hto 2.0642e-15 - I 9.6359e-28 + Hto 1.2127e-13 + I 6.6794e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3020e-16 + Nat 3.2982e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -36945,30 +36547,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.749e-14 2.061e-15 - I 8.179e-15 9.635e-16 + Hto 1.028e-12 1.211e-13 + I 5.669e-13 6.679e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.619e-16 6.619e-17 + Nat 5.612e-14 6.612e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -36982,37 +36584,37 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 -Hto 1.749e-14 - Hto 1.749e-14 1.749e-14 -13.757 -13.757 0.000 (0) -I 8.179e-15 - I- 8.179e-15 8.179e-15 -14.087 -14.087 -0.000 (0) +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 +Hto 1.028e-12 + Hto 1.028e-12 1.028e-12 -11.988 -11.988 0.000 (0) +I 5.669e-13 + I- 5.669e-13 5.669e-13 -12.246 -12.246 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -37022,22 +36624,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 5.619e-16 - Nat+ 5.619e-16 5.619e-16 -15.250 -15.250 -0.000 (0) +Nat 5.612e-14 + Nat+ 5.612e-14 5.612e-14 -13.251 -13.251 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.704e-09 - HS- 6.785e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.308e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.678e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -37046,14 +36647,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -37064,32 +36665,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 11. Solution after simulation 4. -Using surface 11. -Using kinetics 11. +Using solution 10. Solution after simulation 4. +Using surface 10. +Using kinetics 10. -Kinetics 11. +Kinetics 10. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -37102,7 +36703,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -37112,7 +36713,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -37121,14 +36722,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 - Hto 1.5390e-17 - I 6.0836e-30 + Hto 2.0640e-15 + I 9.6379e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4435e-18 + Nat 3.3014e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -37147,30 +36748,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.304e-16 1.537e-17 - I 5.164e-17 6.084e-18 + Hto 1.749e-14 2.061e-15 + I 8.179e-15 9.635e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.456e-18 2.894e-19 + Nat 5.618e-16 6.618e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -37184,37 +36785,37 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.190e-12 - CH4 6.190e-12 6.730e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 -Hto 1.304e-16 - Hto 1.304e-16 1.304e-16 -15.885 -15.885 0.000 (0) -I 5.164e-17 - I- 5.164e-17 5.164e-17 -16.287 -16.287 -0.000 (0) +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 +Hto 1.749e-14 + Hto 1.749e-14 1.749e-14 -13.757 -13.757 0.000 (0) +I 8.179e-15 + I- 8.179e-15 8.179e-15 -14.087 -14.087 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -37224,22 +36825,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.456e-18 - Nat+ 2.456e-18 2.456e-18 -17.610 -17.610 -0.000 (0) +Nat 5.618e-16 + Nat+ 5.618e-16 5.618e-16 -15.250 -15.250 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.704e-09 - HS- 6.785e-09 4.466e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.173e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.638e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.881e-19 5.307e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -37248,14 +36848,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -37266,32 +36866,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 12. Solution after simulation 4. -Using surface 12. -Using kinetics 12. +Using solution 11. Solution after simulation 4. +Using surface 11. +Using kinetics 11. -Kinetics 12. +Kinetics 11. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -37304,7 +36904,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -37314,7 +36914,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -37323,11 +36923,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 + Hto 1.5388e-17 + I 6.0836e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 + Nat 1.4432e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -37346,27 +36949,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 + Hto 1.304e-16 1.536e-17 + I 5.164e-17 6.084e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 + Nat 2.456e-18 2.893e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -37380,33 +36986,37 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 +Hto 1.304e-16 + Hto 1.304e-16 1.304e-16 -15.885 -15.885 0.000 (0) +I 5.164e-17 + I- 5.164e-17 5.164e-17 -16.287 -16.287 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -37416,20 +37026,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) +Nat 2.456e-18 + Nat+ 2.456e-18 2.456e-18 -17.610 -17.610 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.705e-09 - HS- 6.786e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.308e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.678e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -37438,14 +37049,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -37456,32 +37067,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 13. Solution after simulation 4. -Using surface 13. -Using kinetics 13. +Using solution 12. Solution after simulation 4. +Using surface 12. +Using kinetics 12. -Kinetics 13. +Kinetics 12. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -37494,7 +37105,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -37504,7 +37115,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -37513,7 +37124,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -37545,18 +37156,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -37570,33 +37181,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -37606,20 +37217,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.704e-09 - HS- 6.785e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.308e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -37628,14 +37238,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -37646,32 +37256,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 14. Solution after simulation 4. -Using surface 14. -Using kinetics 14. +Using solution 13. Solution after simulation 4. +Using surface 13. +Using kinetics 13. -Kinetics 14. +Kinetics 13. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -37684,7 +37294,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -37694,7 +37304,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -37703,7 +37313,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -37735,18 +37345,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -37760,33 +37370,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -37796,20 +37406,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.705e-09 - HS- 6.785e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.308e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -37818,14 +37427,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -37836,32 +37445,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 15. Solution after simulation 4. -Using surface 15. -Using kinetics 15. +Using solution 14. Solution after simulation 4. +Using surface 14. +Using kinetics 14. -Kinetics 15. +Kinetics 14. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -37874,7 +37483,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -37884,7 +37493,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -37893,7 +37502,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -37925,18 +37534,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -37950,33 +37559,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -37986,20 +37595,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.705e-09 - HS- 6.785e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.308e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -38008,14 +37616,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -38026,32 +37634,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 16. Solution after simulation 4. -Using surface 16. -Using kinetics 16. +Using solution 15. Solution after simulation 4. +Using surface 15. +Using kinetics 15. -Kinetics 16. +Kinetics 15. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -38064,7 +37672,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -38074,7 +37682,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -38083,7 +37691,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -38115,18 +37723,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -38140,33 +37748,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -38176,20 +37784,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.705e-09 - HS- 6.785e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.308e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -38198,14 +37805,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -38216,32 +37823,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 17. Solution after simulation 4. -Using surface 17. -Using kinetics 17. +Using solution 16. Solution after simulation 4. +Using surface 16. +Using kinetics 16. -Kinetics 17. +Kinetics 16. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -38254,7 +37861,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -38264,7 +37871,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -38273,7 +37880,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -38305,18 +37912,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -38330,33 +37937,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.190e-12 - CH4 6.190e-12 6.730e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -38366,20 +37973,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.704e-09 - HS- 6.785e-09 4.466e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.173e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.638e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.881e-19 5.307e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -38388,14 +37994,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -38406,32 +38012,32 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -Using solution 18. Solution after simulation 4. -Using surface 18. -Using kinetics 18. +Using solution 17. Solution after simulation 4. +Using surface 17. +Using kinetics 17. -Kinetics 18. +Kinetics 17. Time: 4.8e+06 seconds Time step: 600000 seconds @@ -38444,7 +38050,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -38454,7 +38060,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -38463,7 +38069,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -38495,18 +38101,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -38520,33 +38126,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -38556,20 +38162,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.705e-09 - HS- 6.786e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.882e-19 5.308e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -38578,14 +38183,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -38596,21 +38201,210 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S + Sylvite -4.59 -3.69 0.90 KCl + Thenardite -4.16 -4.46 -0.30 Na2SO4 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 18. Solution after simulation 4. +Using surface 18. +Using kinetics 18. + +Kinetics 18. + + Time: 4.8e+06 seconds + Time step: 600000 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + +------------------------------Surface composition------------------------------ + +Diffuse Double Layer Surface-Complexation Model + +Su + -8.848e-11 Surface + diffuse layer charge, eq + -3.770e-01 Surface charge, eq + -3.638e-01 sigma, C/m² + -1.203e-01 psi, V + 4.681e+00 -F*psi/RT + 1.079e+02 exp(-F*psi/RT) + 1.000e+05 specific area, m²/g + 1.000e+05 m² for 1.000e+00 g + + Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. + viscosity: 0.92734 mPa s for DDL water. + + Total moles in diffuse layer (excluding water), Donnan calculation. + Donnan Layer potential, psi_DL = -4.125e-02 V. + Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). + + Element Moles + C 1.6145e-04 + Ca 7.1884e-02 + Cl 4.6653e-10 + H 1.2948e-04 + K 8.9156e-04 + Mg 4.6365e-02 + Na 1.3761e-01 + O 1.7087e-03 + S 3.1372e-04 + Sr 1.3747e-03 + +Su + 3.770e-01 moles + Mole Log + Species Moles Fraction Molality Molality + + Su- 3.770e-01 1.000 3.200e+00 0.505 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + C 2.744e-03 3.233e-04 + Ca 2.590e-02 3.051e-03 + Cl 3.000e-01 3.535e-02 + K 1.540e-03 1.814e-04 + Mg 1.720e-02 2.026e-03 + Na 2.390e-01 2.816e-02 + S 1.260e-02 1.484e-03 + Sr 5.000e-04 5.890e-05 + +----------------------------Description of solution---------------------------- + + pH = 7.090 Charge balance + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 + Density (g/cm³) = 1.01108 + Volume (L) = 0.11874 + Viscosity (mPa s) = 0.92734 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.632e-01 + Mass of water (kg) = 1.178e-01 + Total alkalinity (eq/kg) = 2.500e-03 + Total CO2 (mol/kg) = 2.744e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.176e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 0 (14 overall) + Total H = 1.307864e+01 + Total O = 6.546049e+00 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 +C(4) 2.744e-03 + HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 +Ca 2.590e-02 + Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) +Cl 3.000e-01 + Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 +K 1.540e-03 + K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 +Mg 1.720e-02 + Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) +Na 2.390e-01 + Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 +S(6) 1.260e-02 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) +Sr 5.000e-04 + Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Anhydrite -0.81 -5.09 -4.28 CaSO4 + Aragonite 0.10 -8.23 -8.34 CaCO3 + Arcanite -7.03 -8.91 -1.88 K2SO4 + Calcite 0.25 -8.23 -8.48 CaCO3 + Celestite -0.15 -6.81 -6.66 SrSO4 + CH4(g) -8.31 -11.11 -2.80 CH4 + CO2(g) -2.09 -3.56 -1.47 CO2 + Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 + Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O + Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O + H2(g) -8.04 -11.14 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + H2S(g) -7.44 -15.38 -7.94 H2S + Halite -3.04 -1.47 1.57 NaCl + Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O + Kieserite -4.08 -5.24 -1.16 MgSO4:H2O + Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O + O2(g) -67.22 -70.12 -2.89 O2 + Strontianite -0.68 -9.95 -9.27 SrCO3 + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -38634,7 +38428,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -38644,7 +38438,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -38653,7 +38447,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -38685,18 +38479,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -38710,33 +38504,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.732e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.295e-11 - H2 6.473e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -38746,20 +38540,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.705e-09 - HS- 6.786e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.640e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.883e-19 5.309e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -38768,14 +38561,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -38786,21 +38579,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -38824,7 +38617,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -38834,7 +38627,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -38843,7 +38636,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -38875,18 +38668,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -38900,33 +38693,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.190e-12 - CH4 6.190e-12 6.730e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -38936,20 +38729,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.703e-09 - HS- 6.784e-09 4.466e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.173e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.638e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.880e-19 5.306e-19 -18.312 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -38958,14 +38750,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -38976,21 +38768,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -39014,7 +38806,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -39024,7 +38816,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -39033,7 +38825,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -39065,18 +38857,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -39090,33 +38882,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.190e-12 - CH4 6.190e-12 6.730e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -39126,20 +38918,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.703e-09 - HS- 6.785e-09 4.466e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.173e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.638e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.881e-19 5.307e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -39148,14 +38939,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -39166,21 +38957,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -39204,7 +38995,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -39214,7 +39005,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -39223,7 +39014,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -39255,18 +39046,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.520e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -39280,33 +39071,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.191e-12 - CH4 6.191e-12 6.731e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -39316,20 +39107,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.704e-09 - HS- 6.785e-09 4.467e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.639e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.881e-19 5.307e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -39338,14 +39128,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -39356,21 +39146,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -39394,7 +39184,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.820e-11 Surface + diffuse layer charge, eq + -8.848e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -39404,7 +39194,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -39413,7 +39203,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -39445,18 +39235,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.519e-09 + Electrical balance (eq) = 1.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -39470,33 +39260,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.192e-12 - CH4 6.192e-12 6.732e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.176e-12 + CH4 7.176e-12 7.802e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.295e-11 - H2 6.473e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.302e-12 -11.173 -11.137 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -39506,20 +39296,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.706e-09 - HS- 6.787e-09 4.468e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.920e-09 3.174e-09 -8.535 -8.498 0.036 36.27 - S-2 2.755e-14 6.640e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.884e-19 5.310e-19 -18.311 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.865e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.679e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.558e-19 7.130e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -39528,14 +39317,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -39546,21 +39335,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -39590,18 +39379,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -39615,8 +39404,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -39640,8 +39429,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -39661,16 +39450,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -39697,21 +39485,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -39739,18 +39527,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -39764,8 +39552,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -39789,8 +39577,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -39810,16 +39598,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -39846,21 +39633,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -39897,18 +39684,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.814 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.805 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -39922,8 +39709,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.951e-14 - CH4 3.951e-14 4.296e-14 -13.403 -13.367 0.036 35.46 +C(-4) 3.323e-14 + CH4 3.323e-14 3.613e-14 -13.478 -13.442 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -39947,8 +39734,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 3.659e-12 - H2 1.829e-12 1.989e-12 -11.738 -11.701 0.036 28.61 +H(0) 3.504e-12 + H2 1.752e-12 1.905e-12 -11.757 -11.720 0.036 28.61 Hto 7.358e-07 Hto 7.358e-07 7.358e-07 -6.133 -6.133 0.000 (0) I 8.456e-07 @@ -39968,16 +39755,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.322e-07 Nat+ 5.322e-07 5.322e-07 -6.274 -6.274 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.022 -68.986 0.036 30.40 -S(-2) 6.194e-11 - HS- 4.331e-11 2.851e-11 -10.363 -10.545 -0.182 21.14 - H2S 1.864e-11 2.026e-11 -10.730 -10.693 0.036 36.27 - S-2 1.757e-16 4.236e-17 -15.755 -16.373 -0.618 (0) - (H2S)2 1.990e-23 2.163e-23 -22.701 -22.665 0.036 30.09 + O2 0.000e+00 0.000e+00 -68.985 -68.948 0.036 30.40 +S(-2) 5.210e-11 + HS- 3.643e-11 2.398e-11 -10.439 -10.620 -0.182 21.14 + H2S 1.567e-11 1.704e-11 -10.805 -10.768 0.036 36.27 + S-2 1.478e-16 3.563e-17 -15.830 -16.448 -0.618 (0) + (H2S)2 1.408e-23 1.530e-23 -22.852 -22.815 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -40004,21 +39790,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.57 -13.37 -2.80 CH4 + CH4(g) -10.64 -13.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.60 -11.70 -3.10 H2 + H2(g) -8.62 -11.72 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.70 -17.64 -7.94 H2S + H2S(g) -9.77 -17.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.09 -68.99 -2.89 O2 + O2(g) -66.06 -68.95 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -7.02 -2.14 4.88 S + Sulfur -7.08 -2.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -40042,7 +39828,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -8.310e-14 Surface + diffuse layer charge, eq + -7.944e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -40052,7 +39838,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -40061,10 +39847,10 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6665e-10 + Cl 4.6666e-10 H 1.2947e-04 Hto 5.2644e-08 - I 6.3369e-20 + I 6.3342e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -40099,18 +39885,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.947 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.936 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.012e-09 + Electrical balance (eq) = 1.746e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -40124,8 +39910,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.584e-13 - CH4 4.584e-13 4.984e-13 -12.339 -12.302 0.036 35.46 +C(-4) 3.689e-13 + CH4 3.689e-13 4.011e-13 -12.433 -12.397 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -40149,8 +39935,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 6.752e-12 - H2 3.376e-12 3.671e-12 -11.472 -11.435 0.036 28.61 +H(0) 6.395e-12 + H2 3.198e-12 3.477e-12 -11.495 -11.459 0.036 28.61 Hto 4.461e-07 Hto 4.461e-07 4.461e-07 -6.351 -6.351 0.000 (0) I 5.377e-07 @@ -40170,16 +39956,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.855e-07 Nat+ 2.855e-07 2.855e-07 -6.544 -6.544 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.555 -69.518 0.036 30.40 -S(-2) 7.186e-10 - HS- 5.024e-10 3.307e-10 -9.299 -9.481 -0.182 21.14 - H2S 2.162e-10 2.350e-10 -9.665 -9.629 0.036 36.27 - S-2 2.039e-15 4.915e-16 -14.691 -15.309 -0.618 (0) - (H2S)2 2.678e-21 2.911e-21 -20.572 -20.536 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.507 -69.471 0.036 30.40 +S(-2) 5.784e-10 + HS- 4.044e-10 2.662e-10 -9.393 -9.575 -0.182 21.14 + H2S 1.740e-10 1.892e-10 -9.759 -9.723 0.036 36.27 + S-2 1.641e-15 3.956e-16 -14.785 -15.403 -0.618 (0) + (H2S)2 1.735e-21 1.886e-21 -20.761 -20.724 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -40206,21 +39991,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.50 -12.30 -2.80 CH4 + CH4(g) -9.59 -12.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.33 -11.44 -3.10 H2 + H2(g) -8.36 -11.46 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.63 -16.57 -7.94 H2S + H2S(g) -8.73 -16.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.63 -69.52 -2.89 O2 + O2(g) -66.58 -69.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.23 -1.34 4.88 S + Sulfur -6.30 -1.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -40244,7 +40029,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.879e-11 Surface + diffuse layer charge, eq + -8.856e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -40254,7 +40039,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -40263,14 +40048,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6657e-10 - H 1.2948e-04 + Cl 4.6659e-10 + H 1.2947e-04 Hto 1.1732e-08 - I 1.2323e-20 + I 1.2325e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4827e-08 + Nat 2.4826e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -40294,25 +40079,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.225e-08 4.977e-09 + Nat 4.224e-08 4.977e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.078 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.065 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.316e-09 + Electrical balance (eq) = 5.700e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -40323,36 +40108,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.121e-12 - CH4 5.121e-12 5.568e-12 -11.291 -11.254 0.036 35.46 +C(-4) 3.971e-12 + CH4 3.971e-12 4.318e-12 -11.401 -11.365 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.234e-11 - H2 6.172e-12 6.711e-12 -11.210 -11.173 0.036 28.61 +H(0) 1.158e-11 + H2 5.792e-12 6.298e-12 -11.237 -11.201 0.036 28.61 Hto 9.942e-08 Hto 9.942e-08 9.942e-08 -7.003 -7.003 0.000 (0) I 1.046e-07 @@ -40371,17 +40156,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 4.225e-08 - Nat+ 4.225e-08 4.225e-08 -7.374 -7.374 -0.000 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 +Nat 4.224e-08 + Nat+ 4.224e-08 4.224e-08 -7.374 -7.374 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.079 -70.042 0.036 30.40 -S(-2) 8.027e-09 - HS- 5.613e-09 3.695e-09 -8.251 -8.432 -0.182 21.14 - H2S 2.415e-09 2.625e-09 -8.617 -8.581 0.036 36.27 - S-2 2.278e-14 5.491e-15 -13.642 -14.260 -0.618 (0) - (H2S)2 3.341e-19 3.632e-19 -18.476 -18.440 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.023 -69.987 0.036 30.40 +S(-2) 6.225e-09 + HS- 4.352e-09 2.865e-09 -8.361 -8.543 -0.182 21.14 + H2S 1.873e-09 2.036e-09 -8.728 -8.691 0.036 36.27 + S-2 1.767e-14 4.258e-15 -13.753 -14.371 -0.618 (0) + (H2S)2 2.009e-19 2.184e-19 -18.697 -18.661 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -40396,7 +40180,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -40408,21 +40192,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.45 -11.25 -2.80 CH4 + CH4(g) -8.56 -11.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.59 -15.52 -7.94 H2S + H2S(g) -7.70 -15.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.04 -2.89 O2 + O2(g) -67.09 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.44 -0.56 4.88 S + Sulfur -5.52 -0.64 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -40446,7 +40230,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.862e-11 Surface + diffuse layer charge, eq + -8.867e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -40456,7 +40240,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -40465,14 +40249,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6654e-10 + Cl 4.6652e-10 H 1.2948e-04 - Hto 1.5832e-09 - I 1.4308e-21 + Hto 1.5831e-09 + I 1.4306e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0836e-09 + Nat 2.0835e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -40503,18 +40287,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.094 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.099 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.438e-09 + Electrical balance (eq) = 1.089e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -40528,33 +40312,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.818e-12 - CH4 6.818e-12 7.413e-12 -11.166 -11.130 0.036 35.46 +C(-4) 7.506e-12 + CH4 7.506e-12 8.160e-12 -11.125 -11.088 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.326e-11 - H2 6.630e-12 7.209e-12 -11.178 -11.142 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.358e-11 + H2 6.792e-12 7.384e-12 -11.168 -11.132 0.036 28.61 Hto 1.342e-08 Hto 1.342e-08 1.342e-08 -7.872 -7.872 0.000 (0) I 1.214e-08 @@ -40574,16 +40358,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.545e-09 Nat+ 3.545e-09 3.545e-09 -8.450 -8.450 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.141 -70.105 0.036 30.40 -S(-2) 1.069e-08 - HS- 7.472e-09 4.919e-09 -8.127 -8.308 -0.182 21.14 - H2S 3.215e-09 3.495e-09 -8.493 -8.457 0.036 36.27 - S-2 3.033e-14 7.311e-15 -13.518 -14.136 -0.618 (0) - (H2S)2 5.920e-19 6.437e-19 -18.228 -18.191 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.162 -70.125 0.036 30.40 +S(-2) 1.177e-08 + HS- 8.226e-09 5.416e-09 -8.085 -8.266 -0.182 21.14 + H2S 3.539e-09 3.848e-09 -8.451 -8.415 0.036 36.27 + S-2 3.339e-14 8.049e-15 -13.476 -14.094 -0.618 (0) + (H2S)2 7.175e-19 7.801e-19 -18.144 -18.108 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -40598,7 +40381,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -40610,21 +40393,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.33 -11.13 -2.80 CH4 + CH4(g) -8.29 -11.09 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.04 -11.14 -3.10 H2 + H2(g) -8.03 -11.13 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.46 -15.40 -7.94 H2S + H2S(g) -7.42 -15.36 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.21 -70.10 -2.89 O2 + O2(g) -67.23 -70.13 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.35 -0.46 4.88 S + Sulfur -5.32 -0.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -40648,7 +40431,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.853e-11 Surface + diffuse layer charge, eq + -8.880e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -40658,7 +40441,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -40667,14 +40450,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 1.3938e-10 - I 1.0762e-22 + Hto 1.3937e-10 + I 1.0760e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1103e-10 + Nat 1.1102e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -40693,7 +40476,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.181e-09 1.392e-10 + Hto 1.181e-09 1.391e-10 I 9.134e-10 1.076e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -40705,18 +40488,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.432e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -40730,8 +40513,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.166e-12 - CH4 7.166e-12 7.791e-12 -11.145 -11.108 0.036 35.46 +C(-4) 8.141e-12 + CH4 8.141e-12 8.852e-12 -11.089 -11.053 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -40743,7 +40526,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -40754,9 +40537,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.343e-11 - H2 6.714e-12 7.299e-12 -11.173 -11.137 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.386e-11 + H2 6.931e-12 7.536e-12 -11.159 -11.123 0.036 28.61 Hto 1.181e-09 Hto 1.181e-09 1.181e-09 -8.928 -8.928 0.000 (0) I 9.134e-10 @@ -40776,16 +40559,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.889e-10 Nat+ 1.889e-10 1.889e-10 -9.724 -9.724 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.152 -70.115 0.036 30.40 -S(-2) 1.123e-08 - HS- 7.854e-09 5.170e-09 -8.105 -8.286 -0.182 21.14 - H2S 3.379e-09 3.674e-09 -8.471 -8.435 0.036 36.27 - S-2 3.188e-14 7.685e-15 -13.496 -14.114 -0.618 (0) - (H2S)2 6.541e-19 7.111e-19 -18.184 -18.148 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.179 -70.143 0.036 30.40 +S(-2) 1.276e-08 + HS- 8.923e-09 5.874e-09 -8.049 -8.231 -0.182 21.14 + H2S 3.838e-09 4.173e-09 -8.416 -8.380 0.036 36.27 + S-2 3.622e-14 8.731e-15 -13.441 -14.059 -0.618 (0) + (H2S)2 8.441e-19 9.178e-19 -18.074 -18.037 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -40800,7 +40582,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -40812,21 +40594,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.31 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.04 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.38 -7.94 H2S + H2S(g) -7.39 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -40850,7 +40632,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.849e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -40860,7 +40642,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -40869,14 +40651,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 8.2387e-12 + Hto 8.2381e-12 I 5.4154e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9181e-12 + Nat 3.9176e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -40895,30 +40677,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.982e-11 8.225e-12 + Hto 6.981e-11 8.225e-12 I 4.596e-11 5.415e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.667e-12 7.854e-13 + Nat 6.666e-12 7.853e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -40932,8 +40714,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.208e-12 - CH4 7.208e-12 7.836e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.193e-12 + CH4 8.193e-12 8.907e-12 -11.087 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -40945,7 +40727,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -40956,11 +40738,11 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.723e-12 7.310e-12 -11.172 -11.136 0.036 28.61 -Hto 6.982e-11 - Hto 6.982e-11 6.982e-11 -10.156 -10.156 0.000 (0) + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.388e-11 + H2 6.942e-12 7.548e-12 -11.159 -11.122 0.036 28.61 +Hto 6.981e-11 + Hto 6.981e-11 6.981e-11 -10.156 -10.156 0.000 (0) I 4.596e-11 I- 4.596e-11 4.596e-11 -10.338 -10.338 -0.000 (0) K 1.540e-03 @@ -40978,16 +40760,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 6.667e-12 - Nat+ 6.667e-12 6.667e-12 -11.176 -11.176 -0.000 (0) +Nat 6.666e-12 + Nat+ 6.666e-12 6.666e-12 -11.176 -11.176 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.900e-09 5.200e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.398e-09 3.695e-09 -8.469 -8.432 0.036 36.27 - S-2 3.207e-14 7.730e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.617e-19 7.194e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.284e-08 + HS- 8.979e-09 5.911e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.863e-09 4.200e-09 -8.413 -8.377 0.036 36.27 + S-2 3.645e-14 8.786e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.548e-19 9.294e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -41002,7 +40783,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -41014,21 +40795,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.04 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -41052,7 +40833,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -41062,7 +40843,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -41071,14 +40852,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 3.2596e-13 + Hto 3.2593e-13 I 1.8196e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1802e-14 + Nat 9.1788e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -41109,18 +40890,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.432e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -41134,8 +40915,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -41147,7 +40928,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -41158,9 +40939,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 Hto 2.762e-12 Hto 2.762e-12 2.762e-12 -11.559 -11.559 0.000 (0) I 1.544e-12 @@ -41180,16 +40961,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.562e-13 Nat+ 1.562e-13 1.562e-13 -12.806 -12.806 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.902e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.399e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.732e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.621e-19 7.198e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.299e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -41204,7 +40984,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -41216,21 +40996,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -41254,7 +41034,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -41264,7 +41044,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -41273,14 +41053,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 8.3104e-15 - I 3.9340e-27 + Hto 8.3095e-15 + I 3.9356e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3791e-15 + Nat 1.3789e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -41299,30 +41079,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.043e-14 8.297e-15 + Hto 7.042e-14 8.296e-15 I 3.340e-14 3.934e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.347e-15 2.765e-16 + Nat 2.346e-15 2.764e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -41336,8 +41116,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -41349,7 +41129,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -41360,11 +41140,11 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 -Hto 7.043e-14 - Hto 7.043e-14 7.043e-14 -13.152 -13.152 0.000 (0) + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 +Hto 7.042e-14 + Hto 7.042e-14 7.042e-14 -13.152 -13.152 0.000 (0) I 3.340e-14 I- 3.340e-14 3.340e-14 -13.476 -13.476 -0.000 (0) K 1.540e-03 @@ -41382,16 +41162,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.347e-15 - Nat+ 2.347e-15 2.347e-15 -14.630 -14.630 -0.000 (0) +Nat 2.346e-15 + Nat+ 2.346e-15 2.346e-15 -14.630 -14.630 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.732e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.621e-19 7.199e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -41406,7 +41185,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -41418,21 +41197,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -41456,7 +41235,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.849e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -41466,7 +41245,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -41475,14 +41254,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6653e-10 H 1.2948e-04 - Hto 1.2379e-16 - I 4.9655e-29 + Hto 1.2377e-16 + I 4.9661e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2063e-17 + Nat 1.2061e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -41506,25 +41285,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.053e-17 2.418e-18 + Nat 2.052e-17 2.418e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.944e-09 + Electrical balance (eq) = 1.599e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -41538,33 +41317,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.190e-12 - CH4 6.190e-12 6.730e-12 -11.208 -11.172 0.036 35.46 +C(-4) 7.175e-12 + CH4 7.175e-12 7.801e-12 -11.144 -11.108 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.294e-11 - H2 6.472e-12 7.037e-12 -11.189 -11.153 0.036 28.61 +H(0) 1.343e-11 + H2 6.716e-12 7.301e-12 -11.173 -11.137 0.036 28.61 Hto 1.049e-15 Hto 1.049e-15 1.049e-15 -14.979 -14.979 0.000 (0) I 4.215e-16 @@ -41578,22 +41357,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.053e-17 - Nat+ 2.053e-17 2.053e-17 -16.688 -16.688 -0.000 (0) +Nat 2.052e-17 + Nat+ 2.052e-17 2.052e-17 -16.688 -16.688 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.120 -70.084 0.036 30.40 -S(-2) 9.703e-09 - HS- 6.784e-09 4.466e-09 -8.168 -8.350 -0.182 21.14 - H2S 2.919e-09 3.173e-09 -8.535 -8.498 0.036 36.27 - S-2 2.754e-14 6.638e-15 -13.560 -14.178 -0.618 (0) - (H2S)2 4.880e-19 5.306e-19 -18.312 -18.275 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.152 -70.116 0.036 30.40 +S(-2) 1.125e-08 + HS- 7.864e-09 5.177e-09 -8.104 -8.286 -0.182 21.14 + H2S 3.383e-09 3.678e-09 -8.471 -8.434 0.036 36.27 + S-2 3.192e-14 7.695e-15 -13.496 -14.114 -0.618 (0) + (H2S)2 6.557e-19 7.129e-19 -18.183 -18.147 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -41602,14 +41380,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -41620,21 +41398,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.37 -11.17 -2.80 CH4 + CH4(g) -8.31 -11.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.15 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.44 -15.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.38 -0.50 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -41658,7 +41436,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.839e-11 Surface + diffuse layer charge, eq + -8.868e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -41668,7 +41446,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -41677,14 +41455,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 8.2041e-19 + Hto 8.2029e-19 I 2.7868e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6836e-20 + Nat 4.6825e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -41703,30 +41481,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.953e-18 8.191e-19 + Hto 6.952e-18 8.190e-19 I 2.365e-18 2.786e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.970e-20 9.389e-21 + Nat 7.968e-20 9.387e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -41740,8 +41518,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -41753,7 +41531,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -41764,11 +41542,11 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 -Hto 6.953e-18 - Hto 6.953e-18 6.953e-18 -17.158 -17.158 0.000 (0) + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 +Hto 6.952e-18 + Hto 6.952e-18 6.952e-18 -17.158 -17.158 0.000 (0) I 2.365e-18 I- 2.365e-18 2.365e-18 -17.626 -17.626 -0.000 (0) K 1.540e-03 @@ -41786,16 +41564,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 7.970e-20 - Nat+ 7.970e-20 7.970e-20 -19.099 -19.099 -0.000 (0) +Nat 7.968e-20 + Nat+ 7.968e-20 7.968e-20 -19.099 -19.099 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.622e-19 7.200e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -41810,7 +41587,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -41822,21 +41599,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -41860,7 +41637,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.849e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -41870,7 +41647,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -41879,7 +41656,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -41911,18 +41688,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -41936,8 +41713,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -41949,7 +41726,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -41960,9 +41737,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -41978,14 +41755,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.622e-19 7.199e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -42000,7 +41776,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -42012,21 +41788,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -42050,7 +41826,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -42060,7 +41836,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -42069,7 +41845,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -42101,18 +41877,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -42126,8 +41902,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -42139,7 +41915,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -42150,9 +41926,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -42168,14 +41944,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.622e-19 7.199e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -42190,7 +41965,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -42202,21 +41977,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -42240,7 +42015,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -42250,7 +42025,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -42259,7 +42034,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -42291,18 +42066,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -42316,8 +42091,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -42329,7 +42104,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -42340,9 +42115,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -42358,14 +42133,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.622e-19 7.199e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -42380,7 +42154,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -42392,21 +42166,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -42430,7 +42204,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.876e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -42440,7 +42214,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -42449,7 +42223,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -42481,18 +42255,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -42506,8 +42280,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -42519,7 +42293,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -42530,9 +42304,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -42548,14 +42322,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.622e-19 7.199e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -42570,7 +42343,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -42582,21 +42355,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -42620,7 +42393,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -42630,7 +42403,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -42639,7 +42412,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -42671,18 +42444,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.432e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -42696,8 +42469,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -42709,7 +42482,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -42720,9 +42493,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -42738,14 +42511,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.902e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.399e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.732e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.621e-19 7.198e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -42760,7 +42532,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -42772,21 +42544,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -42810,7 +42582,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -42820,7 +42592,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -42829,7 +42601,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -42861,18 +42633,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -42886,8 +42658,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.211e-12 - CH4 7.211e-12 7.840e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -42899,7 +42671,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -42910,9 +42682,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -42928,14 +42700,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.203e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.622e-19 7.200e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -42950,7 +42721,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -42962,21 +42733,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -43000,7 +42771,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.876e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -43010,7 +42781,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -43019,7 +42790,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -43051,18 +42822,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -43076,8 +42847,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.211e-12 - CH4 7.211e-12 7.840e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -43089,7 +42860,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -43100,9 +42871,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.311e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -43118,14 +42889,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.203e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.622e-19 7.200e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -43140,7 +42910,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -43152,21 +42922,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -43190,7 +42960,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.876e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -43200,7 +42970,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -43209,7 +42979,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -43241,18 +43011,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.432e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -43266,8 +43036,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.209e-12 - CH4 7.209e-12 7.838e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -43279,7 +43049,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -43290,9 +43060,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -43308,14 +43078,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.902e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.399e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.207e-14 7.732e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.620e-19 7.197e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -43330,7 +43099,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -43342,21 +43111,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -43380,7 +43149,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -43390,7 +43159,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -43399,7 +43168,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -43431,18 +43200,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.432e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -43456,8 +43225,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -43469,7 +43238,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -43480,9 +43249,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -43498,14 +43267,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.902e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.399e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.732e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.620e-19 7.198e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -43520,7 +43288,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -43532,21 +43300,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -43570,7 +43338,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.877e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -43580,7 +43348,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -43589,7 +43357,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -43621,18 +43389,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.432e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -43646,8 +43414,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.210e-12 - CH4 7.210e-12 7.839e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -43659,7 +43427,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -43670,9 +43438,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -43688,14 +43456,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.902e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.732e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.621e-19 7.199e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -43710,7 +43477,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -43722,21 +43489,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -43760,7 +43527,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.848e-11 Surface + diffuse layer charge, eq + -8.876e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -43770,7 +43537,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -43779,7 +43546,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -43811,18 +43578,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.431e-09 + Electrical balance (eq) = 1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -43836,8 +43603,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.211e-12 - CH4 7.211e-12 7.840e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -43849,7 +43616,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -43860,9 +43627,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.311e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -43878,14 +43645,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.904e-09 5.203e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.697e-09 -8.468 -8.432 0.036 36.27 - S-2 3.208e-14 7.734e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.624e-19 7.201e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.300e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -43900,7 +43666,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -43912,21 +43678,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -43956,18 +43722,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -43981,8 +43747,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -44006,8 +43772,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -44027,16 +43793,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -44063,21 +43828,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -44105,18 +43870,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -44130,8 +43895,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -44155,8 +43920,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -44176,16 +43941,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -44212,21 +43976,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -44263,18 +44027,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.830 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.820 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -44288,8 +44052,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.240e-14 - CH4 5.240e-14 5.697e-14 -13.281 -13.244 0.036 35.46 +C(-4) 4.356e-14 + CH4 4.356e-14 4.736e-14 -13.361 -13.325 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -44313,8 +44077,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 3.926e-12 - H2 1.963e-12 2.134e-12 -11.707 -11.671 0.036 28.61 +H(0) 3.749e-12 + H2 1.874e-12 2.038e-12 -11.727 -11.691 0.036 28.61 Hto 7.212e-07 Hto 7.212e-07 7.212e-07 -6.142 -6.142 0.000 (0) I 8.367e-07 @@ -44334,16 +44098,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.096e-07 Nat+ 5.096e-07 5.096e-07 -6.293 -6.293 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.084 -69.047 0.036 30.40 -S(-2) 8.215e-11 - HS- 5.743e-11 3.781e-11 -10.241 -10.422 -0.182 21.14 - H2S 2.471e-11 2.687e-11 -10.607 -10.571 0.036 36.27 - S-2 2.331e-16 5.618e-17 -15.633 -16.250 -0.618 (0) - (H2S)2 3.499e-23 3.804e-23 -22.456 -22.420 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.043 -69.007 0.036 30.40 +S(-2) 6.829e-11 + HS- 4.774e-11 3.143e-11 -10.321 -10.503 -0.182 21.14 + H2S 2.054e-11 2.234e-11 -10.687 -10.651 0.036 36.27 + S-2 1.937e-16 4.670e-17 -15.713 -16.331 -0.618 (0) + (H2S)2 2.418e-23 2.629e-23 -22.617 -22.580 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -44370,21 +44133,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.44 -13.24 -2.80 CH4 + CH4(g) -10.52 -13.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.57 -11.67 -3.10 H2 + H2(g) -8.59 -11.69 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.58 -17.51 -7.94 H2S + H2S(g) -9.66 -17.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.15 -69.05 -2.89 O2 + O2(g) -66.11 -69.01 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.93 -2.05 4.88 S + Sulfur -6.99 -2.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -44408,7 +44171,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -8.799e-14 Surface + diffuse layer charge, eq + -8.366e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -44418,7 +44181,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -44427,7 +44190,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6665e-10 + Cl 4.6666e-10 H 1.2947e-04 Hto 5.4107e-08 I 6.5447e-20 @@ -44465,18 +44228,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.961 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.947 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.010e-09 + Electrical balance (eq) = 1.745e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -44490,12 +44253,12 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.881e-13 - CH4 5.881e-13 6.394e-13 -12.231 -12.194 0.036 35.46 +C(-4) 4.581e-13 + CH4 4.581e-13 4.981e-13 -12.339 -12.303 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 @@ -44515,8 +44278,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 7.186e-12 - H2 3.593e-12 3.907e-12 -11.445 -11.408 0.036 28.61 +H(0) 6.751e-12 + H2 3.376e-12 3.670e-12 -11.472 -11.435 0.036 28.61 Hto 4.585e-07 Hto 4.585e-07 4.585e-07 -6.339 -6.339 0.000 (0) I 5.555e-07 @@ -44535,17 +44298,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 Nat 2.937e-07 Nat+ 2.937e-07 2.937e-07 -6.532 -6.532 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.609 -69.572 0.036 30.40 -S(-2) 9.220e-10 - HS- 6.446e-10 4.243e-10 -9.191 -9.372 -0.182 21.14 - H2S 2.774e-10 3.016e-10 -9.557 -9.521 0.036 36.27 - S-2 2.616e-15 6.306e-16 -14.582 -15.200 -0.618 (0) - (H2S)2 4.408e-21 4.792e-21 -20.356 -20.319 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.554 -69.518 0.036 30.40 +S(-2) 7.182e-10 + HS- 5.021e-10 3.305e-10 -9.299 -9.481 -0.182 21.14 + H2S 2.161e-10 2.349e-10 -9.665 -9.629 0.036 36.27 + S-2 2.038e-15 4.912e-16 -14.691 -15.309 -0.618 (0) + (H2S)2 2.675e-21 2.908e-21 -20.573 -20.536 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -44572,21 +44334,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.39 -12.19 -2.80 CH4 + CH4(g) -9.50 -12.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.31 -11.41 -3.10 H2 + H2(g) -8.33 -11.44 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.53 -16.46 -7.94 H2S + H2S(g) -8.63 -16.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.68 -69.57 -2.89 O2 + O2(g) -66.63 -69.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.14 -1.26 4.88 S + Sulfur -6.23 -1.34 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -44610,7 +44372,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.904e-11 Surface + diffuse layer charge, eq + -8.882e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -44620,7 +44382,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -44629,14 +44391,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 - H 1.2948e-04 - Hto 1.3372e-08 + Cl 4.6657e-10 + H 1.2947e-04 + Hto 1.3371e-08 I 1.4163e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8728e-08 + Nat 2.8727e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -44667,18 +44429,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.088 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.078 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.228e-09 + Electrical balance (eq) = 5.611e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -44690,13 +44452,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.053e-12 - CH4 6.053e-12 6.581e-12 -11.218 -11.182 0.036 35.46 +C(-4) 5.032e-12 + CH4 5.032e-12 5.471e-12 -11.298 -11.262 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -44713,12 +44475,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.287e-11 - H2 6.436e-12 6.998e-12 -11.191 -11.155 0.036 28.61 +H(0) 1.229e-11 + H2 6.146e-12 6.682e-12 -11.211 -11.175 0.036 28.61 Hto 1.133e-07 Hto 1.133e-07 1.133e-07 -6.946 -6.946 0.000 (0) I 1.202e-07 @@ -44738,16 +44500,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.888e-08 Nat+ 4.888e-08 4.888e-08 -7.311 -7.311 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.115 -70.079 0.036 30.40 -S(-2) 9.489e-09 - HS- 6.634e-09 4.368e-09 -8.178 -8.360 -0.182 21.14 - H2S 2.854e-09 3.103e-09 -8.545 -8.508 0.036 36.27 - S-2 2.693e-14 6.491e-15 -13.570 -14.188 -0.618 (0) - (H2S)2 4.667e-19 5.075e-19 -18.331 -18.295 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.075 -70.039 0.036 30.40 +S(-2) 7.888e-09 + HS- 5.515e-09 3.631e-09 -8.258 -8.440 -0.182 21.14 + H2S 2.373e-09 2.580e-09 -8.625 -8.588 0.036 36.27 + S-2 2.239e-14 5.396e-15 -13.650 -14.268 -0.618 (0) + (H2S)2 3.226e-19 3.507e-19 -18.491 -18.455 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -44757,7 +44518,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -44774,21 +44535,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.38 -11.18 -2.80 CH4 + CH4(g) -8.46 -11.26 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.05 -11.16 -3.10 H2 + H2(g) -8.07 -11.18 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.51 -15.45 -7.94 H2S + H2S(g) -7.59 -15.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.08 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.39 -0.50 4.88 S + Sulfur -5.45 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -44812,7 +44573,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.895e-11 Surface + diffuse layer charge, eq + -8.899e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -44822,7 +44583,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -44831,14 +44592,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6652e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 2.0472e-09 - I 1.8690e-21 + Hto 2.0471e-09 + I 1.8694e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.7575e-09 + Nat 2.7573e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -44869,18 +44630,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.101 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.105 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.350e-09 + Electrical balance (eq) = 9.999e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -44894,8 +44655,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.777e-12 - CH4 7.777e-12 8.456e-12 -11.109 -11.073 0.036 35.46 +C(-4) 8.396e-12 + CH4 8.396e-12 9.129e-12 -11.076 -11.040 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -44907,7 +44668,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -44919,8 +44680,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.370e-11 - H2 6.852e-12 7.450e-12 -11.164 -11.128 0.036 28.61 +H(0) 1.397e-11 + H2 6.985e-12 7.594e-12 -11.156 -11.120 0.036 28.61 Hto 1.735e-08 Hto 1.735e-08 1.735e-08 -7.761 -7.761 0.000 (0) I 1.586e-08 @@ -44940,16 +44701,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.692e-09 Nat+ 4.692e-09 4.692e-09 -8.329 -8.329 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.169 -70.133 0.036 30.40 -S(-2) 1.219e-08 - HS- 8.524e-09 5.611e-09 -8.069 -8.251 -0.182 21.14 - H2S 3.667e-09 3.987e-09 -8.436 -8.399 0.036 36.27 - S-2 3.460e-14 8.341e-15 -13.461 -14.079 -0.618 (0) - (H2S)2 7.704e-19 8.376e-19 -18.113 -18.077 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.186 -70.150 0.036 30.40 +S(-2) 1.316e-08 + HS- 9.203e-09 6.058e-09 -8.036 -8.218 -0.182 21.14 + H2S 3.959e-09 4.304e-09 -8.402 -8.366 0.036 36.27 + S-2 3.736e-14 9.005e-15 -13.428 -14.046 -0.618 (0) + (H2S)2 8.978e-19 9.762e-19 -18.047 -18.010 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -44964,7 +44724,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -44976,21 +44736,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.27 -11.07 -2.80 CH4 + CH4(g) -8.24 -11.04 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.13 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.40 -15.34 -7.94 H2S + H2S(g) -7.37 -15.31 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.24 -70.13 -2.89 O2 + O2(g) -67.26 -70.15 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.30 -0.42 4.88 S + Sulfur -5.28 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -45014,7 +44774,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.883e-11 Surface + diffuse layer charge, eq + -8.909e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -45024,7 +44784,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -45033,14 +44793,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 2.0935e-10 + Hto 2.0934e-10 I 1.6355e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7156e-10 + Nat 1.7154e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -45071,18 +44831,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.990e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -45094,10 +44854,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.172e-12 - CH4 8.172e-12 8.885e-12 -11.088 -11.051 0.036 35.46 +C(-4) 9.135e-12 + CH4 9.135e-12 9.932e-12 -11.039 -11.003 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -45107,7 +44867,7 @@ C(4) 2.744e-03 CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -45116,13 +44876,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.388e-11 - H2 6.938e-12 7.543e-12 -11.159 -11.122 0.036 28.61 +H(0) 1.427e-11 + H2 7.134e-12 7.756e-12 -11.147 -11.110 0.036 28.61 Hto 1.774e-09 Hto 1.774e-09 1.774e-09 -8.751 -8.751 0.000 (0) I 1.388e-09 @@ -45137,21 +44897,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.919e-10 Nat+ 2.919e-10 2.919e-10 -9.535 -9.535 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.180 -70.144 0.036 30.40 -S(-2) 1.281e-08 - HS- 8.957e-09 5.896e-09 -8.048 -8.229 -0.182 21.14 - H2S 3.853e-09 4.189e-09 -8.414 -8.378 0.036 36.27 - S-2 3.636e-14 8.764e-15 -13.439 -14.057 -0.618 (0) - (H2S)2 8.505e-19 9.247e-19 -18.070 -18.034 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.204 -70.168 0.036 30.40 +S(-2) 1.432e-08 + HS- 1.001e-08 6.591e-09 -7.999 -8.181 -0.182 21.14 + H2S 4.307e-09 4.682e-09 -8.366 -8.330 0.036 36.27 + S-2 4.064e-14 9.797e-15 -13.391 -14.009 -0.618 (0) + (H2S)2 1.063e-18 1.155e-18 -17.974 -17.937 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -45160,8 +44919,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -45178,21 +44937,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.34 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.14 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.41 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -45216,7 +44975,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.878e-11 Surface + diffuse layer charge, eq + -8.906e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -45226,7 +44985,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -45235,14 +44994,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 1.4808e-11 + Hto 1.4806e-11 I 9.8567e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.2692e-12 + Nat 7.2684e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -45273,18 +45032,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -45296,20 +45055,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.225e-12 - CH4 8.225e-12 8.943e-12 -11.085 -11.049 0.036 35.46 +C(-4) 9.210e-12 + CH4 9.210e-12 1.001e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -45317,14 +45076,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.949e-12 7.555e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.148e-12 7.772e-12 -11.146 -11.109 0.036 28.61 Hto 1.255e-10 Hto 1.255e-10 1.255e-10 -9.901 -9.901 0.000 (0) I 8.366e-11 @@ -45339,21 +45098,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.237e-11 Nat+ 1.237e-11 1.237e-11 -10.908 -10.908 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.289e-08 - HS- 9.015e-09 5.935e-09 -8.045 -8.227 -0.182 21.14 - H2S 3.878e-09 4.216e-09 -8.411 -8.375 0.036 36.27 - S-2 3.660e-14 8.821e-15 -13.437 -14.054 -0.618 (0) - (H2S)2 8.617e-19 9.368e-19 -18.065 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.009e-08 6.645e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.342e-09 4.721e-09 -8.362 -8.326 0.036 36.27 + S-2 4.098e-14 9.878e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.080e-18 1.174e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -45362,8 +45120,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -45380,21 +45138,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -45418,7 +45176,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -45428,7 +45186,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -45437,14 +45195,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 7.3083e-13 + Hto 7.3077e-13 I 4.1354e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1301e-13 + Nat 2.1298e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -45463,30 +45221,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.194e-12 7.297e-13 + Hto 6.193e-12 7.296e-13 I 3.510e-12 4.135e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.625e-13 4.270e-14 + Nat 3.624e-13 4.270e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -45498,20 +45256,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.229e-12 - CH4 8.229e-12 8.947e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -45519,16 +45277,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 -Hto 6.194e-12 - Hto 6.194e-12 6.194e-12 -11.208 -11.208 0.000 (0) +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 +Hto 6.193e-12 + Hto 6.193e-12 6.193e-12 -11.208 -11.208 0.000 (0) I 3.510e-12 I- 3.510e-12 3.510e-12 -11.455 -11.455 -0.000 (0) K 1.540e-03 @@ -45541,21 +45299,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 3.625e-13 - Nat+ 3.625e-13 3.625e-13 -12.441 -12.441 -0.000 (0) +Nat 3.624e-13 + Nat+ 3.624e-13 3.624e-13 -12.441 -12.441 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.019e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.218e-09 -8.411 -8.375 0.036 36.27 - S-2 3.661e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.625e-19 9.377e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.648e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -45564,8 +45321,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -45582,21 +45339,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -45620,7 +45377,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -45630,7 +45387,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -45639,14 +45396,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 2.4807e-14 - I 1.1910e-26 + Hto 2.4804e-14 + I 1.1912e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2686e-15 + Nat 4.2678e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -45665,30 +45422,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.102e-13 2.477e-14 + Hto 2.102e-13 2.476e-14 I 1.011e-13 1.191e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.263e-15 8.557e-16 + Nat 7.262e-15 8.556e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -45700,20 +45457,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.948e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -45721,14 +45478,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 Hto 2.102e-13 Hto 2.102e-13 2.102e-13 -12.677 -12.677 0.000 (0) I 1.011e-13 @@ -45743,21 +45500,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 7.263e-15 - Nat+ 7.263e-15 7.263e-15 -14.139 -14.139 -0.000 (0) +Nat 7.262e-15 + Nat+ 7.262e-15 7.262e-15 -14.139 -14.139 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.626e-19 9.378e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -45766,8 +45522,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -45784,21 +45540,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -45822,7 +45578,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.859e-11 Surface + diffuse layer charge, eq + -8.887e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -45832,7 +45588,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -45841,14 +45597,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 5.5364e-16 - I 2.2537e-28 + Hto 5.5357e-16 + I 2.2532e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.6028e-17 + Nat 5.6016e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -45867,30 +45623,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.692e-15 5.528e-16 + Hto 4.691e-15 5.527e-16 I 1.913e-15 2.253e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.534e-17 1.123e-17 + Nat 9.532e-17 1.123e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.856e-09 + Electrical balance (eq) = 1.510e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -45904,8 +45660,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.209e-12 - CH4 7.209e-12 7.838e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.195e-12 + CH4 8.195e-12 8.910e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -45917,7 +45673,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -45928,11 +45684,11 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.310e-12 -11.172 -11.136 0.036 28.61 -Hto 4.692e-15 - Hto 4.692e-15 4.692e-15 -14.329 -14.329 0.000 (0) + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 +Hto 4.691e-15 + Hto 4.691e-15 4.691e-15 -14.329 -14.329 0.000 (0) I 1.913e-15 I- 1.913e-15 1.913e-15 -14.718 -14.718 -0.000 (0) K 1.540e-03 @@ -45950,16 +45706,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 9.534e-17 - Nat+ 9.534e-17 9.534e-17 -16.021 -16.021 -0.000 (0) +Nat 9.532e-17 + Nat+ 9.532e-17 9.532e-17 -16.021 -16.021 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.902e-09 5.202e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.399e-09 3.696e-09 -8.469 -8.432 0.036 36.27 - S-2 3.207e-14 7.732e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.620e-19 7.197e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.982e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.789e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.553e-19 9.299e-19 -18.068 -18.032 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -45974,7 +45729,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -45986,21 +45741,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -46024,7 +45779,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.869e-11 Surface + diffuse layer charge, eq + -8.897e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -46034,7 +45789,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -46043,14 +45798,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6651e-10 H 1.2948e-04 - Hto 7.3319e-18 - I 2.5280e-30 + Hto 7.3308e-18 + I 2.5272e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3520e-19 + Nat 4.3509e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -46069,30 +45824,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.213e-17 7.320e-18 + Hto 6.213e-17 7.319e-18 I 2.145e-17 2.527e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.405e-19 8.724e-20 + Nat 7.404e-19 8.722e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.097 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.104 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.903e-09 + Electrical balance (eq) = 1.559e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -46106,8 +45861,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.211e-12 - CH4 7.211e-12 7.840e-12 -11.142 -11.106 0.036 35.46 +C(-4) 8.196e-12 + CH4 8.196e-12 8.911e-12 -11.086 -11.050 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -46119,7 +45874,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -46130,9 +45885,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.345e-11 - H2 6.724e-12 7.311e-12 -11.172 -11.136 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.389e-11 + H2 6.943e-12 7.548e-12 -11.158 -11.122 0.036 28.61 Hto 6.213e-17 Hto 6.213e-17 6.213e-17 -16.207 -16.207 0.000 (0) I 2.145e-17 @@ -46152,16 +45907,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 7.405e-19 - Nat+ 7.405e-19 7.405e-19 -18.130 -18.130 -0.000 (0) +Nat 7.404e-19 + Nat+ 7.404e-19 7.404e-19 -18.131 -18.131 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 -S(-2) 1.130e-08 - HS- 7.903e-09 5.203e-09 -8.102 -8.284 -0.182 21.14 - H2S 3.400e-09 3.697e-09 -8.469 -8.432 0.036 36.27 - S-2 3.208e-14 7.733e-15 -13.494 -14.112 -0.618 (0) - (H2S)2 6.623e-19 7.200e-19 -18.179 -18.143 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 +S(-2) 1.285e-08 + HS- 8.983e-09 5.913e-09 -8.047 -8.228 -0.182 21.14 + H2S 3.864e-09 4.201e-09 -8.413 -8.377 0.036 36.27 + S-2 3.646e-14 8.790e-15 -13.438 -14.056 -0.618 (0) + (H2S)2 8.554e-19 9.300e-19 -18.068 -18.031 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -46176,7 +45930,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -46188,21 +45942,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.30 -11.11 -2.80 CH4 + CH4(g) -8.25 -11.05 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.14 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.44 -15.37 -7.94 H2S + H2S(g) -7.38 -15.32 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.12 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.33 -0.45 4.88 S + Sulfur -5.29 -0.40 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -46226,7 +45980,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.868e-11 Surface + diffuse layer charge, eq + -8.897e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -46236,7 +45990,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -46245,14 +45999,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 4.3734e-20 + Hto 4.3727e-20 I 1.2764e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5196e-21 + Nat 1.5192e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -46276,25 +46030,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.586e-21 3.046e-22 + Nat 2.585e-21 3.046e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -46306,20 +46060,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.948e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -46327,14 +46081,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 Hto 3.706e-19 Hto 3.706e-19 3.706e-19 -18.431 -18.431 0.000 (0) I 1.083e-19 @@ -46349,21 +46103,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.586e-21 - Nat+ 2.586e-21 2.586e-21 -20.587 -20.587 -0.000 (0) +Nat 2.585e-21 + Nat+ 2.585e-21 2.585e-21 -20.588 -20.588 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.626e-19 9.378e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -46372,8 +46125,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -46390,21 +46143,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -46428,7 +46181,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.906e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -46438,7 +46191,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -46447,7 +46200,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -46479,18 +46232,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -46502,20 +46255,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.948e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -46523,14 +46276,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -46541,19 +46294,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.626e-19 9.378e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -46562,8 +46314,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -46580,21 +46332,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -46618,7 +46370,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -46628,7 +46380,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -46637,7 +46389,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -46669,18 +46421,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -46692,20 +46444,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.948e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -46713,14 +46465,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -46731,19 +46483,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.626e-19 9.378e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -46752,8 +46503,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -46770,21 +46521,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -46808,7 +46559,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.906e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -46818,7 +46569,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -46827,7 +46578,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -46859,18 +46610,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -46882,20 +46633,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.948e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -46903,14 +46654,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -46921,19 +46672,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.626e-19 9.378e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -46942,8 +46692,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -46960,21 +46710,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -46998,7 +46748,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.906e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -47008,7 +46758,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -47017,7 +46767,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -47049,18 +46799,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -47072,20 +46822,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.229e-12 - CH4 8.229e-12 8.947e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -47093,14 +46843,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -47111,19 +46861,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.019e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.218e-09 -8.411 -8.375 0.036 36.27 - S-2 3.661e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.625e-19 9.377e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -47132,8 +46881,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -47150,21 +46899,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -47188,7 +46937,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -47198,7 +46947,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -47207,7 +46956,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -47239,18 +46988,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -47262,20 +47011,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.948e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -47283,14 +47032,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -47301,19 +47050,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.626e-19 9.379e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -47322,8 +47070,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -47340,21 +47088,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -47378,7 +47126,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -47388,7 +47136,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -47397,7 +47145,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -47429,18 +47177,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -47452,20 +47200,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.948e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -47473,14 +47221,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -47491,19 +47239,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.827e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.626e-19 9.379e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -47512,8 +47259,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -47530,21 +47277,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -47568,7 +47315,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.906e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -47578,7 +47325,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -47587,7 +47334,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -47619,18 +47366,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -47642,20 +47389,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.229e-12 - CH4 8.229e-12 8.947e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -47663,14 +47410,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -47681,19 +47428,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.019e-09 5.937e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.218e-09 -8.411 -8.375 0.036 36.27 - S-2 3.661e-14 8.825e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.624e-19 9.376e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -47702,8 +47448,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -47720,21 +47466,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -47758,7 +47504,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -47768,7 +47514,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -47777,7 +47523,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -47809,18 +47555,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -47832,20 +47578,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.229e-12 - CH4 8.229e-12 8.947e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -47853,14 +47599,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -47871,19 +47617,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.019e-09 5.937e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.218e-09 -8.411 -8.375 0.036 36.27 - S-2 3.661e-14 8.825e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.624e-19 9.377e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -47892,8 +47637,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -47910,21 +47655,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -47948,7 +47693,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -47958,7 +47703,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -47967,7 +47712,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -47999,18 +47744,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -48022,20 +47767,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.230e-12 - CH4 8.230e-12 8.947e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -48043,14 +47788,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -48061,19 +47806,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.020e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.661e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.625e-19 9.378e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -48082,8 +47826,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -48100,21 +47844,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -48138,7 +47882,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.877e-11 Surface + diffuse layer charge, eq + -8.905e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -48148,7 +47892,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -48157,7 +47901,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -48189,18 +47933,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.343e-09 + Electrical balance (eq) = 9.991e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -48212,20 +47956,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.231e-12 - CH4 8.231e-12 8.949e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.215e-12 + CH4 9.215e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -48233,14 +47977,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -48251,19 +47995,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.021e-09 5.939e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.881e-09 4.219e-09 -8.411 -8.375 0.036 36.27 - S-2 3.662e-14 8.827e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.628e-19 9.380e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.649e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.883e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -48272,8 +48015,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -48290,21 +48033,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -48334,18 +48077,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -48359,8 +48102,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -48384,8 +48127,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -48405,16 +48148,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -48441,21 +48183,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -48483,18 +48225,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -48508,8 +48250,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -48533,8 +48275,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -48554,16 +48296,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -48590,21 +48331,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -48641,18 +48382,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.844 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.834 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -48666,8 +48407,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.888e-14 - CH4 6.888e-14 7.489e-14 -13.162 -13.126 0.036 35.46 +C(-4) 5.631e-14 + CH4 5.631e-14 6.122e-14 -13.249 -13.213 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -48691,8 +48432,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.204e-12 - H2 2.102e-12 2.285e-12 -11.677 -11.641 0.036 28.61 +H(0) 3.997e-12 + H2 1.999e-12 2.173e-12 -11.699 -11.663 0.036 28.61 Hto 7.080e-07 Hto 7.080e-07 7.080e-07 -6.150 -6.150 0.000 (0) I 8.286e-07 @@ -48712,16 +48453,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.899e-07 Nat+ 4.899e-07 4.899e-07 -6.310 -6.310 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.143 -69.107 0.036 30.40 -S(-2) 1.080e-10 - HS- 7.550e-11 4.970e-11 -10.122 -10.304 -0.182 21.14 - H2S 3.249e-11 3.532e-11 -10.488 -10.452 0.036 36.27 - S-2 3.064e-16 7.385e-17 -15.514 -16.132 -0.618 (0) - (H2S)2 6.047e-23 6.574e-23 -22.218 -22.182 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.099 -69.063 0.036 30.40 +S(-2) 8.828e-11 + HS- 6.172e-11 4.063e-11 -10.210 -10.391 -0.182 21.14 + H2S 2.656e-11 2.888e-11 -10.576 -10.539 0.036 36.27 + S-2 2.505e-16 6.038e-17 -15.601 -16.219 -0.618 (0) + (H2S)2 4.041e-23 4.394e-23 -22.393 -22.357 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -48748,21 +48488,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.32 -13.13 -2.80 CH4 + CH4(g) -10.41 -13.21 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.54 -11.64 -3.10 H2 + H2(g) -8.56 -11.66 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.46 -17.39 -7.94 H2S + H2S(g) -9.54 -17.48 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.21 -69.11 -2.89 O2 + O2(g) -66.17 -69.06 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.84 -1.96 4.88 S + Sulfur -6.91 -2.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -48786,7 +48526,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -9.304e-14 Surface + diffuse layer charge, eq + -8.854e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -48796,7 +48536,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -48808,7 +48548,7 @@ Su Cl 4.6665e-10 H 1.2947e-04 Hto 5.5240e-08 - I 6.7167e-20 + I 6.7154e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -48843,18 +48583,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.974 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.961 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.009e-09 + Electrical balance (eq) = 1.743e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -48868,12 +48608,12 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.446e-13 - CH4 7.446e-13 8.096e-13 -12.128 -12.092 0.036 35.46 +C(-4) 5.844e-13 + CH4 5.844e-13 6.354e-13 -12.233 -12.197 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 @@ -48882,7 +48622,7 @@ C(4) 2.744e-03 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -48893,8 +48633,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 7.623e-12 - H2 3.811e-12 4.144e-12 -11.419 -11.383 0.036 28.61 +H(0) 7.175e-12 + H2 3.587e-12 3.900e-12 -11.445 -11.409 0.036 28.61 Hto 4.681e-07 Hto 4.681e-07 4.681e-07 -6.330 -6.330 0.000 (0) I 5.699e-07 @@ -48913,17 +48653,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 Nat 2.997e-07 Nat+ 2.997e-07 2.997e-07 -6.523 -6.523 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.660 -69.624 0.036 30.40 -S(-2) 1.167e-09 - HS- 8.162e-10 5.373e-10 -9.088 -9.270 -0.182 21.14 - H2S 3.512e-10 3.818e-10 -9.454 -9.418 0.036 36.27 - S-2 3.312e-15 7.984e-16 -14.480 -15.098 -0.618 (0) - (H2S)2 7.067e-21 7.683e-21 -20.151 -20.114 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.607 -69.571 0.036 30.40 +S(-2) 9.161e-10 + HS- 6.405e-10 4.217e-10 -9.193 -9.375 -0.182 21.14 + H2S 2.756e-10 2.997e-10 -9.560 -9.523 0.036 36.27 + S-2 2.599e-15 6.266e-16 -14.585 -15.203 -0.618 (0) + (H2S)2 4.352e-21 4.732e-21 -20.361 -20.325 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -48950,21 +48689,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.29 -12.09 -2.80 CH4 + CH4(g) -9.40 -12.20 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.28 -11.38 -3.10 H2 + H2(g) -8.31 -11.41 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.42 -16.36 -7.94 H2S + H2S(g) -8.53 -16.47 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.73 -69.62 -2.89 O2 + O2(g) -66.68 -69.57 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.07 -1.19 4.88 S + Sulfur -6.15 -1.26 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -48988,7 +48727,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.928e-11 Surface + diffuse layer charge, eq + -8.907e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -48998,7 +48737,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -49007,14 +48746,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6653e-10 + Cl 4.6655e-10 H 1.2948e-04 - Hto 1.4940e-08 + Hto 1.4939e-08 I 1.5948e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2553e-08 + Nat 3.2552e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -49045,18 +48784,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.095 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.087 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.138e-09 + Electrical balance (eq) = 5.523e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -49070,33 +48809,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.951e-12 - CH4 6.951e-12 7.558e-12 -11.158 -11.122 0.036 35.46 +C(-4) 6.043e-12 + CH4 6.043e-12 6.570e-12 -11.219 -11.182 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.333e-11 - H2 6.663e-12 7.244e-12 -11.176 -11.140 0.036 28.61 + HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.287e-11 + H2 6.433e-12 6.994e-12 -11.192 -11.155 0.036 28.61 Hto 1.266e-07 Hto 1.266e-07 1.266e-07 -6.898 -6.898 0.000 (0) I 1.354e-07 @@ -49110,22 +48849,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.539e-08 Nat+ 5.539e-08 5.539e-08 -7.257 -7.257 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.145 -70.109 0.036 30.40 -S(-2) 1.090e-08 - HS- 7.619e-09 5.015e-09 -8.118 -8.300 -0.182 21.14 - H2S 3.277e-09 3.563e-09 -8.484 -8.448 0.036 36.27 - S-2 3.093e-14 7.455e-15 -13.510 -14.128 -0.618 (0) - (H2S)2 6.154e-19 6.691e-19 -18.211 -18.175 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.115 -70.078 0.036 30.40 +S(-2) 9.472e-09 + HS- 6.623e-09 4.360e-09 -8.179 -8.361 -0.182 21.14 + H2S 2.849e-09 3.098e-09 -8.545 -8.509 0.036 36.27 + S-2 2.688e-14 6.480e-15 -13.571 -14.188 -0.618 (0) + (H2S)2 4.651e-19 5.057e-19 -18.332 -18.296 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -49134,14 +48872,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -49152,21 +48890,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.32 -11.12 -2.80 CH4 + CH4(g) -8.38 -11.18 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.04 -11.14 -3.10 H2 + H2(g) -8.05 -11.16 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.45 -15.39 -7.94 H2S + H2S(g) -7.51 -15.45 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.22 -70.11 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.34 -0.46 4.88 S + Sulfur -5.39 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -49190,7 +48928,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.927e-11 Surface + diffuse layer charge, eq + -8.931e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -49200,7 +48938,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -49209,14 +48947,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6650e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 2.5529e-09 - I 2.3542e-21 + Hto 2.5528e-09 + I 2.3537e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5162e-09 + Nat 3.5160e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -49240,25 +48978,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.983e-09 7.049e-10 + Nat 5.983e-09 7.048e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.108 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.111 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.261e-09 + Electrical balance (eq) = 9.108e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -49270,20 +49008,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.738e-12 - CH4 8.738e-12 9.500e-12 -11.059 -11.022 0.036 35.46 +C(-4) 9.299e-12 + CH4 9.299e-12 1.011e-11 -11.032 -10.995 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -49291,14 +49029,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.411e-11 - H2 7.055e-12 7.670e-12 -11.152 -11.115 0.036 28.61 +H(0) 1.433e-11 + H2 7.166e-12 7.791e-12 -11.145 -11.108 0.036 28.61 Hto 2.163e-08 Hto 2.163e-08 2.163e-08 -7.665 -7.665 0.000 (0) I 1.998e-08 @@ -49318,16 +49056,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.983e-09 Nat+ 5.983e-09 5.983e-09 -8.223 -8.223 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.195 -70.158 0.036 30.40 -S(-2) 1.370e-08 - HS- 9.577e-09 6.304e-09 -8.019 -8.200 -0.182 21.14 - H2S 4.120e-09 4.479e-09 -8.385 -8.349 0.036 36.27 - S-2 3.888e-14 9.371e-15 -13.410 -14.028 -0.618 (0) - (H2S)2 9.723e-19 1.057e-18 -18.012 -17.976 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.208 -70.172 0.036 30.40 +S(-2) 1.458e-08 + HS- 1.019e-08 6.710e-09 -7.992 -8.173 -0.182 21.14 + H2S 4.384e-09 4.767e-09 -8.358 -8.322 0.036 36.27 + S-2 4.138e-14 9.974e-15 -13.383 -14.001 -0.618 (0) + (H2S)2 1.101e-18 1.197e-18 -17.958 -17.922 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -49336,8 +49073,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -49354,21 +49091,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.22 -11.02 -2.80 CH4 + CH4(g) -8.19 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.35 -15.29 -7.94 H2S + H2S(g) -7.33 -15.26 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.27 -70.16 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.27 -0.38 4.88 S + Sulfur -5.25 -0.36 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -49392,7 +49129,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.913e-11 Surface + diffuse layer charge, eq + -8.939e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -49402,7 +49139,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -49411,14 +49148,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6648e-10 H 1.2948e-04 - Hto 2.9695e-10 + Hto 2.9694e-10 I 2.3461e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5013e-10 + Nat 2.5011e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -49437,7 +49174,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.517e-09 2.965e-10 + Hto 2.516e-09 2.965e-10 I 1.991e-09 2.346e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -49449,18 +49186,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.110 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.099e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -49474,18 +49211,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.176e-12 - CH4 9.176e-12 9.977e-12 -11.037 -11.001 0.036 35.46 +C(-4) 1.013e-11 + CH4 1.013e-11 1.101e-11 -10.995 -10.958 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -49493,16 +49230,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.428e-11 - H2 7.142e-12 7.765e-12 -11.146 -11.110 0.036 28.61 -Hto 2.517e-09 - Hto 2.517e-09 2.517e-09 -8.599 -8.599 0.000 (0) +H(0) 1.464e-11 + H2 7.320e-12 7.958e-12 -11.136 -11.099 0.036 28.61 +Hto 2.516e-09 + Hto 2.516e-09 2.516e-09 -8.599 -8.599 0.000 (0) I 1.991e-09 I- 1.991e-09 1.991e-09 -8.701 -8.701 -0.000 (0) K 1.540e-03 @@ -49514,22 +49251,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.256e-10 Nat+ 4.256e-10 4.256e-10 -9.371 -9.371 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.205 -70.169 0.036 30.40 -S(-2) 1.438e-08 - HS- 1.006e-08 6.621e-09 -7.998 -8.179 -0.182 21.14 - H2S 4.326e-09 4.704e-09 -8.364 -8.328 0.036 36.27 - S-2 4.083e-14 9.842e-15 -13.389 -14.007 -0.618 (0) - (H2S)2 1.072e-18 1.166e-18 -17.970 -17.933 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.227 -70.190 0.036 30.40 +S(-2) 1.587e-08 + HS- 1.110e-08 7.305e-09 -7.955 -8.136 -0.182 21.14 + H2S 4.773e-09 5.190e-09 -8.321 -8.285 0.036 36.27 + S-2 4.505e-14 1.086e-14 -13.346 -13.964 -0.618 (0) + (H2S)2 1.305e-18 1.419e-18 -17.884 -17.848 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -49539,13 +49275,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -49556,21 +49292,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.16 -10.96 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.23 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.22 -0.34 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -49594,7 +49330,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.907e-11 Surface + diffuse layer charge, eq + -8.935e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -49604,7 +49340,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -49613,14 +49349,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 2.4428e-11 - I 1.6460e-23 + Hto 2.4426e-11 + I 1.6463e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2371e-11 + Nat 1.2369e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -49651,18 +49387,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.100e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -49676,18 +49412,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.243e-12 - CH4 9.243e-12 1.005e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.112e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -49695,14 +49431,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.155e-12 7.779e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.338e-12 7.978e-12 -11.134 -11.098 0.036 28.61 Hto 2.070e-10 Hto 2.070e-10 2.070e-10 -9.684 -9.684 0.000 (0) I 1.397e-10 @@ -49716,22 +49452,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.105e-11 Nat+ 2.105e-11 2.105e-11 -10.677 -10.677 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.449e-08 - HS- 1.013e-08 6.669e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.358e-09 4.738e-09 -8.361 -8.324 0.036 36.27 - S-2 4.112e-14 9.913e-15 -13.386 -14.004 -0.618 (0) - (H2S)2 1.088e-18 1.183e-18 -17.963 -17.927 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.603e-08 + HS- 1.121e-08 7.379e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.821e-09 5.242e-09 -8.317 -8.281 0.036 36.27 + S-2 4.550e-14 1.097e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.332e-18 1.448e-18 -17.876 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -49741,13 +49476,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -49758,21 +49493,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -49796,7 +49531,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -49806,7 +49541,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -49815,14 +49550,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 1.4436e-12 - I 8.2758e-25 + Hto 1.4435e-12 + I 8.2748e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3518e-13 + Nat 4.3512e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -49846,25 +49581,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.405e-13 8.724e-14 + Nat 7.404e-13 8.723e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -49878,18 +49613,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -49897,14 +49632,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 Hto 1.223e-11 Hto 1.223e-11 1.223e-11 -10.912 -10.912 0.000 (0) I 7.024e-12 @@ -49918,22 +49653,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 7.405e-13 - Nat+ 7.405e-13 7.405e-13 -12.130 -12.130 -0.000 (0) +Nat 7.404e-13 + Nat+ 7.404e-13 7.404e-13 -12.131 -12.131 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.673e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.360e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.919e-15 -13.386 -14.004 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.927 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -49943,13 +49677,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -49960,21 +49694,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -49998,7 +49732,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -50008,7 +49742,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -50017,14 +49751,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 6.1151e-14 + Hto 6.1144e-14 I 2.9768e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0905e-14 + Nat 1.0903e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -50048,25 +49782,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.856e-14 2.186e-15 + Nat 1.855e-14 2.186e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.110 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -50080,18 +49814,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.204e-12 - CH4 9.204e-12 1.001e-11 -11.036 -11.000 0.036 35.46 +C(-4) 1.019e-11 + CH4 1.019e-11 1.108e-11 -10.992 -10.956 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -50099,16 +49833,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.429e-11 - H2 7.147e-12 7.771e-12 -11.146 -11.110 0.036 28.61 +H(0) 1.466e-11 + H2 7.331e-12 7.971e-12 -11.135 -11.099 0.036 28.61 Hto 5.182e-13 - Hto 5.182e-13 5.182e-13 -12.285 -12.285 0.000 (0) + Hto 5.182e-13 5.182e-13 -12.286 -12.286 0.000 (0) I 2.527e-13 I- 2.527e-13 2.527e-13 -12.597 -12.597 -0.000 (0) K 1.540e-03 @@ -50120,22 +49854,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 1.856e-14 - Nat+ 1.856e-14 1.856e-14 -13.732 -13.732 -0.000 (0) +Nat 1.855e-14 + Nat+ 1.855e-14 1.855e-14 -13.732 -13.732 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 -S(-2) 1.443e-08 - HS- 1.009e-08 6.641e-09 -7.996 -8.178 -0.182 21.14 - H2S 4.339e-09 4.718e-09 -8.363 -8.326 0.036 36.27 - S-2 4.095e-14 9.871e-15 -13.388 -14.006 -0.618 (0) - (H2S)2 1.079e-18 1.173e-18 -17.967 -17.931 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.228 -70.192 0.036 30.40 +S(-2) 1.597e-08 + HS- 1.117e-08 7.352e-09 -7.952 -8.134 -0.182 21.14 + H2S 4.804e-09 5.223e-09 -8.318 -8.282 0.036 36.27 + S-2 4.534e-14 1.093e-14 -13.344 -13.961 -0.618 (0) + (H2S)2 1.322e-18 1.437e-18 -17.879 -17.842 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -50145,13 +49878,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -50162,21 +49895,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.96 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.22 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -50200,7 +49933,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.888e-11 Surface + diffuse layer charge, eq + -8.916e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -50210,7 +49943,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -50219,14 +49952,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 1.8174e-15 - I 7.5040e-28 + Hto 1.8172e-15 + I 7.5021e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9090e-16 + Nat 1.9086e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -50250,25 +49983,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.248e-16 3.827e-17 + Nat 3.248e-16 3.826e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.105 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.111 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.767e-09 + Electrical balance (eq) = 1.421e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -50280,20 +50013,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.320e-12 - CH4 8.320e-12 9.045e-12 -11.080 -11.044 0.036 35.46 +C(-4) 9.305e-12 + CH4 9.305e-12 1.012e-11 -11.031 -10.995 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -50301,14 +50034,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.394e-11 - H2 6.969e-12 7.577e-12 -11.157 -11.121 0.036 28.61 +H(0) 1.433e-11 + H2 7.167e-12 7.792e-12 -11.145 -11.108 0.036 28.61 Hto 1.540e-14 Hto 1.540e-14 1.540e-14 -13.812 -13.812 0.000 (0) I 6.368e-15 @@ -50323,21 +50056,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.248e-16 Nat+ 3.248e-16 3.248e-16 -15.488 -15.488 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.184 -70.148 0.036 30.40 -S(-2) 1.304e-08 - HS- 9.118e-09 6.003e-09 -8.040 -8.222 -0.182 21.14 - H2S 3.922e-09 4.265e-09 -8.406 -8.370 0.036 36.27 - S-2 3.701e-14 8.922e-15 -13.432 -14.050 -0.618 (0) - (H2S)2 8.815e-19 9.584e-19 -18.055 -18.018 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.208 -70.172 0.036 30.40 +S(-2) 1.459e-08 + HS- 1.020e-08 6.714e-09 -7.991 -8.173 -0.182 21.14 + H2S 4.387e-09 4.770e-09 -8.358 -8.322 0.036 36.27 + S-2 4.140e-14 9.980e-15 -13.383 -14.001 -0.618 (0) + (H2S)2 1.103e-18 1.199e-18 -17.958 -17.921 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -50346,8 +50078,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -50364,21 +50096,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.24 -11.04 -2.80 CH4 + CH4(g) -8.19 -10.99 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.31 -7.94 H2S + H2S(g) -7.33 -15.26 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.26 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.28 -0.40 4.88 S + Sulfur -5.25 -0.36 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -50402,7 +50134,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.879e-11 Surface + diffuse layer charge, eq + -8.907e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -50412,7 +50144,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -50421,14 +50153,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 3.6066e-17 + Hto 3.6061e-17 I 1.2616e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2249e-18 + Nat 2.2243e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -50447,30 +50179,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.056e-16 3.601e-17 + Hto 3.056e-16 3.600e-17 I 1.071e-16 1.262e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.786e-18 4.460e-19 + Nat 3.785e-18 4.459e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.814e-09 + Electrical balance (eq) = 1.470e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -50482,20 +50214,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.185e-12 - CH4 8.185e-12 8.899e-12 -11.087 -11.051 0.036 35.46 +C(-4) 9.170e-12 + CH4 9.170e-12 9.970e-12 -11.038 -11.001 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -50503,14 +50235,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.388e-11 - H2 6.940e-12 7.546e-12 -11.159 -11.122 0.036 28.61 +H(0) 1.428e-11 + H2 7.141e-12 7.763e-12 -11.146 -11.110 0.036 28.61 Hto 3.056e-16 Hto 3.056e-16 3.056e-16 -15.515 -15.515 0.000 (0) I 1.071e-16 @@ -50525,21 +50257,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 3.786e-18 - Nat+ 3.786e-18 3.786e-18 -17.422 -17.422 -0.000 (0) +Nat 3.785e-18 + Nat+ 3.785e-18 3.785e-18 -17.422 -17.422 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.181 -70.144 0.036 30.40 -S(-2) 1.283e-08 - HS- 8.971e-09 5.906e-09 -8.047 -8.229 -0.182 21.14 - H2S 3.859e-09 4.196e-09 -8.414 -8.377 0.036 36.27 - S-2 3.642e-14 8.778e-15 -13.439 -14.057 -0.618 (0) - (H2S)2 8.532e-19 9.276e-19 -18.069 -18.033 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.205 -70.169 0.036 30.40 +S(-2) 1.437e-08 + HS- 1.005e-08 6.616e-09 -7.998 -8.179 -0.182 21.14 + H2S 4.323e-09 4.700e-09 -8.364 -8.328 0.036 36.27 + S-2 4.080e-14 9.835e-15 -13.389 -14.007 -0.618 (0) + (H2S)2 1.071e-18 1.164e-18 -17.970 -17.934 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -50548,8 +50279,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -50566,21 +50297,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.14 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -50604,7 +50335,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.899e-11 Surface + diffuse layer charge, eq + -8.927e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -50614,7 +50345,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -50623,14 +50354,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6651e-10 + Cl 4.6649e-10 H 1.2948e-04 - Hto 4.2992e-19 - I 1.2733e-31 + Hto 4.2985e-19 + I 1.2735e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5541e-20 + Nat 1.5537e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -50654,25 +50385,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.645e-20 3.115e-21 + Nat 2.644e-20 3.115e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.358e-09 + Electrical balance (eq) = 1.014e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -50684,20 +50415,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.229e-12 - CH4 8.229e-12 8.947e-12 -11.085 -11.048 0.036 35.46 +C(-4) 9.214e-12 + CH4 9.214e-12 1.002e-11 -11.036 -10.999 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -50705,16 +50436,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.390e-11 - H2 6.950e-12 7.556e-12 -11.158 -11.122 0.036 28.61 +H(0) 1.430e-11 + H2 7.149e-12 7.773e-12 -11.146 -11.109 0.036 28.61 Hto 3.643e-18 - Hto 3.643e-18 3.643e-18 -17.438 -17.438 0.000 (0) + Hto 3.643e-18 3.643e-18 -17.439 -17.439 0.000 (0) I 1.081e-18 I- 1.081e-18 1.081e-18 -17.966 -17.966 -0.000 (0) K 1.540e-03 @@ -50727,21 +50458,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.645e-20 - Nat+ 2.645e-20 2.645e-20 -19.578 -19.578 -0.000 (0) +Nat 2.644e-20 + Nat+ 2.644e-20 2.644e-20 -19.578 -19.578 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.182 -70.145 0.036 30.40 -S(-2) 1.290e-08 - HS- 9.019e-09 5.938e-09 -8.045 -8.226 -0.182 21.14 - H2S 3.880e-09 4.218e-09 -8.411 -8.375 0.036 36.27 - S-2 3.661e-14 8.826e-15 -13.436 -14.054 -0.618 (0) - (H2S)2 8.625e-19 9.377e-19 -18.064 -18.028 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 +S(-2) 1.444e-08 + HS- 1.010e-08 6.648e-09 -7.996 -8.177 -0.182 21.14 + H2S 4.344e-09 4.723e-09 -8.362 -8.326 0.036 36.27 + S-2 4.100e-14 9.882e-15 -13.387 -14.005 -0.618 (0) + (H2S)2 1.081e-18 1.176e-18 -17.966 -17.930 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -50750,8 +50480,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -50768,21 +50498,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.20 -11.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.38 -15.32 -7.94 H2S + H2S(g) -7.33 -15.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.25 -70.15 -2.89 O2 + O2(g) -67.28 -70.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.29 -0.40 4.88 S + Sulfur -5.25 -0.37 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -50806,7 +50536,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.897e-11 Surface + diffuse layer charge, eq + -8.925e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -50816,7 +50546,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -50825,14 +50555,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 2.3314e-21 + Hto 2.3310e-21 I 5.8455e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9305e-23 + Nat 4.9291e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -50851,30 +50581,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.976e-20 2.328e-21 + Hto 1.975e-20 2.327e-21 I 4.961e-21 5.845e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.390e-23 9.884e-24 + Nat 8.387e-23 9.881e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -50888,18 +50618,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -50907,16 +50637,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 -Hto 1.976e-20 - Hto 1.976e-20 1.976e-20 -19.704 -19.704 0.000 (0) + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 +Hto 1.975e-20 + Hto 1.975e-20 1.975e-20 -19.704 -19.704 0.000 (0) I 4.961e-21 I- 4.961e-21 4.961e-21 -20.304 -20.304 -0.000 (0) K 1.540e-03 @@ -50928,22 +50658,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 8.390e-23 - Nat+ 8.390e-23 8.390e-23 -22.076 -22.076 -0.000 (0) +Nat 8.387e-23 + Nat+ 8.387e-23 8.387e-23 -22.076 -22.076 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.674e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.361e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.920e-15 -13.386 -14.003 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -50953,13 +50682,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -50970,21 +50699,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -51008,7 +50737,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -51018,7 +50747,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -51027,7 +50756,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -51059,18 +50788,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -51084,18 +50813,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -51103,14 +50832,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -51120,20 +50849,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.674e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.361e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.920e-15 -13.386 -14.003 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -51143,13 +50871,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -51160,21 +50888,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -51198,7 +50926,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -51208,7 +50936,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -51217,7 +50945,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -51249,18 +50977,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -51274,18 +51002,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -51293,14 +51021,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -51310,20 +51038,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.673e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.361e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.920e-15 -13.386 -14.003 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -51333,13 +51060,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -51350,21 +51077,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -51388,7 +51115,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -51398,7 +51125,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -51407,7 +51134,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -51439,18 +51166,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -51464,18 +51191,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -51483,14 +51210,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -51500,20 +51227,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.673e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.360e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.920e-15 -13.386 -14.004 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.927 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -51523,13 +51249,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -51540,21 +51266,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -51578,7 +51304,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -51588,7 +51314,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -51597,7 +51323,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -51629,18 +51355,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -51654,18 +51380,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.250e-12 - CH4 9.250e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -51673,14 +51399,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -51690,20 +51416,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.674e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.361e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.920e-15 -13.386 -14.003 -0.618 (0) - (H2S)2 1.089e-18 1.185e-18 -17.963 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -51713,13 +51438,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -51730,21 +51455,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -51768,7 +51493,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -51778,7 +51503,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -51787,7 +51512,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -51819,18 +51544,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -51844,18 +51569,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.250e-12 - CH4 9.250e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -51863,14 +51588,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -51880,20 +51605,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.674e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.361e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.920e-15 -13.386 -14.003 -0.618 (0) - (H2S)2 1.090e-18 1.185e-18 -17.963 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -51903,13 +51627,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -51920,21 +51644,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -51958,7 +51682,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -51968,7 +51692,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -51977,7 +51701,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -52009,18 +51733,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -52034,18 +51758,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -52053,14 +51777,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -52070,20 +51794,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.673e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.360e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.919e-15 -13.386 -14.004 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.927 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -52093,13 +51816,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -52110,21 +51833,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -52148,7 +51871,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -52158,7 +51881,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -52167,7 +51890,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -52199,18 +51922,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -52224,18 +51947,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -52243,14 +51966,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -52260,20 +51983,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.673e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.360e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.919e-15 -13.386 -14.004 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.927 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -52283,13 +52005,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -52300,21 +52022,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -52338,7 +52060,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -52348,7 +52070,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -52357,7 +52079,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -52389,18 +52111,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -52414,18 +52136,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -52433,14 +52155,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -52450,20 +52172,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.673e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.361e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.920e-15 -13.386 -14.004 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -52473,13 +52194,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -52490,21 +52211,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -52528,7 +52249,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.934e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -52538,7 +52259,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -52547,7 +52268,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -52579,18 +52300,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-09 + Electrical balance (eq) = 9.101e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -52604,18 +52325,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.250e-12 - CH4 9.250e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -52623,14 +52344,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.980e-12 -11.134 -11.098 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -52640,20 +52361,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.674e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.361e-09 4.742e-09 -8.360 -8.324 0.036 36.27 - S-2 4.116e-14 9.921e-15 -13.386 -14.003 -0.618 (0) - (H2S)2 1.090e-18 1.185e-18 -17.963 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -52663,13 +52383,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -52680,21 +52400,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -52724,18 +52444,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -52749,8 +52469,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -52774,8 +52494,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -52795,16 +52515,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -52831,21 +52550,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -52873,18 +52592,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -52898,8 +52617,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -52923,8 +52642,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -52944,16 +52663,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -52980,21 +52698,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -53024,25 +52742,25 @@ Kinetics 3. K 1.540e-03 7.700e-04 Mg 1.720e-02 8.600e-03 Na 2.390e-01 1.195e-01 - Nat 4.724e-07 2.362e-07 + Nat 4.725e-07 2.362e-07 S 1.260e-02 6.300e-03 Sr 5.000e-04 2.500e-04 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.859 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.847 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -53056,8 +52774,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.967e-14 - CH4 8.967e-14 9.749e-14 -13.047 -13.011 0.036 35.46 +C(-4) 7.256e-14 + CH4 7.256e-14 7.889e-14 -13.139 -13.103 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -53081,8 +52799,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.491e-12 - H2 2.245e-12 2.441e-12 -11.649 -11.612 0.036 28.61 +H(0) 4.259e-12 + H2 2.129e-12 2.315e-12 -11.672 -11.635 0.036 28.61 Hto 6.960e-07 Hto 6.960e-07 6.960e-07 -6.157 -6.157 0.000 (0) I 8.212e-07 @@ -53102,16 +52820,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 4.724e-07 - Nat+ 4.724e-07 4.724e-07 -6.326 -6.326 -0.000 (0) +Nat 4.725e-07 + Nat+ 4.725e-07 4.725e-07 -6.326 -6.326 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.200 -69.164 0.036 30.40 -S(-2) 1.406e-10 - HS- 9.828e-11 6.470e-11 -10.008 -10.189 -0.182 21.14 - H2S 4.229e-11 4.598e-11 -10.374 -10.337 0.036 36.27 - S-2 3.988e-16 9.614e-17 -15.399 -16.017 -0.618 (0) - (H2S)2 1.025e-22 1.114e-22 -21.989 -21.953 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.154 -69.118 0.036 30.40 +S(-2) 1.137e-10 + HS- 7.953e-11 5.235e-11 -10.099 -10.281 -0.182 21.14 + H2S 3.422e-11 3.721e-11 -10.466 -10.429 0.036 36.27 + S-2 3.227e-16 7.779e-17 -15.491 -16.109 -0.618 (0) + (H2S)2 6.710e-23 7.295e-23 -22.173 -22.137 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -53138,21 +52855,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.21 -13.01 -2.80 CH4 + CH4(g) -10.30 -13.10 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.51 -11.61 -3.10 H2 + H2(g) -8.53 -11.64 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.34 -17.28 -7.94 H2S + H2S(g) -9.43 -17.37 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.27 -69.16 -2.89 O2 + O2(g) -66.23 -69.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.76 -1.87 4.88 S + Sulfur -6.83 -1.94 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -53176,7 +52893,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -9.925e-14 Surface + diffuse layer charge, eq + -9.387e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -53186,7 +52903,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -53233,18 +52950,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.985 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.973 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.007e-09 + Electrical balance (eq) = 1.742e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -53258,8 +52975,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.236e-13 - CH4 9.236e-13 1.004e-12 -12.035 -11.998 0.036 35.46 +C(-4) 7.413e-13 + CH4 7.413e-13 8.060e-13 -12.130 -12.094 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -53268,7 +52985,7 @@ C(4) 2.744e-03 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 @@ -53283,8 +53000,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.045e-12 - H2 4.022e-12 4.373e-12 -11.396 -11.359 0.036 28.61 +H(0) 7.614e-12 + H2 3.807e-12 4.139e-12 -11.419 -11.383 0.036 28.61 Hto 4.755e-07 Hto 4.755e-07 4.755e-07 -6.323 -6.323 0.000 (0) I 5.816e-07 @@ -53298,22 +53015,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.041e-07 Nat+ 3.041e-07 3.041e-07 -6.517 -6.517 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.707 -69.670 0.036 30.40 -S(-2) 1.448e-09 - HS- 1.012e-09 6.664e-10 -8.995 -9.176 -0.182 21.14 - H2S 4.356e-10 4.736e-10 -9.361 -9.325 0.036 36.27 - S-2 4.108e-15 9.903e-16 -14.386 -15.004 -0.618 (0) - (H2S)2 1.087e-20 1.182e-20 -19.964 -19.927 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.659 -69.623 0.036 30.40 +S(-2) 1.162e-09 + HS- 8.125e-10 5.349e-10 -9.090 -9.272 -0.182 21.14 + H2S 3.496e-10 3.801e-10 -9.456 -9.420 0.036 36.27 + S-2 3.297e-15 7.948e-16 -14.482 -15.100 -0.618 (0) + (H2S)2 7.003e-21 7.614e-21 -20.155 -20.118 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -53340,21 +53056,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.20 -12.00 -2.80 CH4 + CH4(g) -9.29 -12.09 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.26 -11.36 -3.10 H2 + H2(g) -8.28 -11.38 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.33 -16.27 -7.94 H2S + H2S(g) -8.43 -16.36 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.78 -69.67 -2.89 O2 + O2(g) -66.73 -69.62 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.00 -1.12 4.88 S + Sulfur -6.07 -1.19 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -53378,7 +53094,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.952e-11 Surface + diffuse layer charge, eq + -8.933e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -53388,7 +53104,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -53397,14 +53113,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6652e-10 + Cl 4.6653e-10 H 1.2948e-04 - Hto 1.6428e-08 - I 1.7669e-20 + Hto 1.6427e-08 + I 1.7672e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.6270e-08 + Nat 3.6268e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -53428,25 +53144,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.172e-08 7.271e-09 + Nat 6.171e-08 7.271e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.102 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.096 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.049e-09 + Electrical balance (eq) = 5.433e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -53460,33 +53176,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.819e-12 - CH4 7.819e-12 8.501e-12 -11.107 -11.071 0.036 35.46 +C(-4) 7.009e-12 + CH4 7.009e-12 7.620e-12 -11.154 -11.118 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.372e-11 - H2 6.861e-12 7.460e-12 -11.164 -11.127 0.036 28.61 + HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) +H(0) 1.335e-11 + H2 6.676e-12 7.259e-12 -11.175 -11.139 0.036 28.61 Hto 1.392e-07 Hto 1.392e-07 1.392e-07 -6.856 -6.856 0.000 (0) I 1.500e-07 @@ -53506,16 +53222,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 6.172e-08 - Nat+ 6.172e-08 6.172e-08 -7.210 -7.210 -0.000 (0) +Nat 6.171e-08 + Nat+ 6.171e-08 6.171e-08 -7.210 -7.210 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.171 -70.134 0.036 30.40 -S(-2) 1.226e-08 - HS- 8.569e-09 5.641e-09 -8.067 -8.249 -0.182 21.14 - H2S 3.686e-09 4.008e-09 -8.433 -8.397 0.036 36.27 - S-2 3.479e-14 8.385e-15 -13.459 -14.076 -0.618 (0) - (H2S)2 7.786e-19 8.465e-19 -18.109 -18.072 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.147 -70.111 0.036 30.40 +S(-2) 1.099e-08 + HS- 7.682e-09 5.057e-09 -8.115 -8.296 -0.182 21.14 + H2S 3.305e-09 3.593e-09 -8.481 -8.445 0.036 36.27 + S-2 3.118e-14 7.516e-15 -13.506 -14.124 -0.618 (0) + (H2S)2 6.257e-19 6.803e-19 -18.204 -18.167 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -53530,7 +53245,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -53542,21 +53257,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.27 -11.07 -2.80 CH4 + CH4(g) -8.32 -11.12 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.13 -3.10 H2 + H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.40 -15.34 -7.94 H2S + H2S(g) -7.45 -15.39 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.24 -70.13 -2.89 O2 + O2(g) -67.22 -70.11 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.30 -0.42 4.88 S + Sulfur -5.34 -0.46 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -53580,7 +53295,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.959e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -53590,7 +53305,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -53599,14 +53314,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6648e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 3.0930e-09 - I 2.8802e-21 + Hto 3.0929e-09 + I 2.8794e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3524e-09 + Nat 4.3521e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -53637,18 +53352,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.113 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.171e-09 + Electrical balance (eq) = 8.215e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -53662,19 +53377,19 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.698e-12 - CH4 9.698e-12 1.054e-11 -11.013 -10.977 0.036 35.46 +C(-4) 1.021e-11 + CH4 1.021e-11 1.110e-11 -10.991 -10.955 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 @@ -53682,13 +53397,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.448e-11 - H2 7.241e-12 7.873e-12 -11.140 -11.104 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.467e-11 + H2 7.335e-12 7.975e-12 -11.135 -11.098 0.036 28.61 Hto 2.621e-08 Hto 2.621e-08 2.621e-08 -7.582 -7.582 0.000 (0) I 2.444e-08 @@ -53696,7 +53411,7 @@ I 2.444e-08 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -53707,17 +53422,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 Nat 7.406e-09 Nat+ 7.406e-09 7.406e-09 -8.130 -8.130 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.217 -70.181 0.036 30.40 -S(-2) 1.520e-08 - HS- 1.063e-08 6.997e-09 -7.974 -8.155 -0.182 21.14 - H2S 4.572e-09 4.971e-09 -8.340 -8.304 0.036 36.27 - S-2 4.315e-14 1.040e-14 -13.365 -13.983 -0.618 (0) - (H2S)2 1.198e-18 1.302e-18 -17.922 -17.885 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.192 0.036 30.40 +S(-2) 1.601e-08 + HS- 1.119e-08 7.367e-09 -7.951 -8.133 -0.182 21.14 + H2S 4.814e-09 5.234e-09 -8.318 -8.281 0.036 36.27 + S-2 4.543e-14 1.095e-14 -13.343 -13.961 -0.618 (0) + (H2S)2 1.328e-18 1.443e-18 -17.877 -17.841 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -53744,21 +53458,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.18 -10.98 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.31 -15.25 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.29 -70.18 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.23 -0.35 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -53782,7 +53496,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.944e-11 Surface + diffuse layer charge, eq + -8.969e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -53792,7 +53506,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -53801,14 +53515,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6648e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 4.0269e-10 - I 3.2167e-22 + Hto 4.0266e-10 + I 3.2162e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.4839e-10 + Nat 3.4836e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -53827,30 +53541,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.413e-09 4.020e-10 + Hto 3.412e-09 4.020e-10 I 2.730e-09 3.217e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.928e-10 6.984e-11 + Nat 5.928e-10 6.983e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.205e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -53864,62 +53578,61 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.018e-11 - CH4 1.018e-11 1.107e-11 -10.992 -10.956 0.036 35.46 +C(-4) 1.111e-11 + CH4 1.111e-11 1.208e-11 -10.954 -10.918 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.466e-11 - H2 7.329e-12 7.969e-12 -11.135 -11.099 0.036 28.61 -Hto 3.413e-09 - Hto 3.413e-09 3.413e-09 -8.467 -8.467 0.000 (0) + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.498e-11 + H2 7.492e-12 8.146e-12 -11.125 -11.089 0.036 28.61 +Hto 3.412e-09 + Hto 3.412e-09 3.412e-09 -8.467 -8.467 0.000 (0) I 2.730e-09 I- 2.730e-09 2.730e-09 -8.564 -8.564 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 Nat 5.928e-10 Nat+ 5.928e-10 5.928e-10 -9.227 -9.227 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.228 -70.192 0.036 30.40 -S(-2) 1.596e-08 - HS- 1.116e-08 7.345e-09 -7.952 -8.134 -0.182 21.14 - H2S 4.799e-09 5.218e-09 -8.319 -8.283 0.036 36.27 - S-2 4.529e-14 1.092e-14 -13.344 -13.962 -0.618 (0) - (H2S)2 1.319e-18 1.435e-18 -17.880 -17.843 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.247 -70.211 0.036 30.40 +S(-2) 1.742e-08 + HS- 1.218e-08 8.018e-09 -7.914 -8.096 -0.182 21.14 + H2S 5.239e-09 5.696e-09 -8.281 -8.244 0.036 36.27 + S-2 4.945e-14 1.192e-14 -13.306 -13.924 -0.618 (0) + (H2S)2 1.572e-18 1.709e-18 -17.803 -17.767 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -53934,7 +53647,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -53946,21 +53659,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.96 -2.80 CH4 + CH4(g) -8.12 -10.92 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.29 -15.22 -7.94 H2S + H2S(g) -7.25 -15.19 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.22 -0.33 4.88 S + Sulfur -5.19 -0.31 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -53984,7 +53697,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.936e-11 Surface + diffuse layer charge, eq + -8.965e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -53994,7 +53707,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -54003,14 +53716,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 3.7730e-11 - I 2.5740e-23 + Hto 3.7728e-11 + I 2.5733e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9698e-11 + Nat 1.9695e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -54034,25 +53747,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.352e-11 3.949e-12 + Nat 3.351e-11 3.948e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -54066,33 +53779,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.026e-11 - CH4 1.026e-11 1.115e-11 -10.989 -10.953 0.036 35.46 +C(-4) 1.124e-11 + CH4 1.124e-11 1.222e-11 -10.949 -10.913 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.344e-12 7.985e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.514e-12 8.169e-12 -11.124 -11.088 0.036 28.61 Hto 3.197e-10 Hto 3.197e-10 3.197e-10 -9.495 -9.495 0.000 (0) I 2.184e-10 @@ -54100,28 +53813,27 @@ I 2.184e-10 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 3.352e-11 - Nat+ 3.352e-11 3.352e-11 -10.475 -10.475 -0.000 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 3.351e-11 + Nat+ 3.351e-11 3.351e-11 -10.475 -10.475 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.608e-08 - HS- 1.124e-08 7.402e-09 -7.949 -8.131 -0.182 21.14 - H2S 4.837e-09 5.259e-09 -8.315 -8.279 0.036 36.27 - S-2 4.565e-14 1.100e-14 -13.341 -13.958 -0.618 (0) - (H2S)2 1.340e-18 1.457e-18 -17.873 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.249 -70.213 0.036 30.40 +S(-2) 1.762e-08 + HS- 1.232e-08 8.111e-09 -7.909 -8.091 -0.182 21.14 + H2S 5.300e-09 5.762e-09 -8.276 -8.239 0.036 36.27 + S-2 5.002e-14 1.206e-14 -13.301 -13.919 -0.618 (0) + (H2S)2 1.609e-18 1.750e-18 -17.793 -17.757 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -54136,7 +53848,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -54148,21 +53860,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -54186,7 +53898,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -54196,23 +53908,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 2.5951e-12 + Hto 2.5949e-12 I 1.5073e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.0867e-13 + Nat 8.0856e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -54243,18 +53955,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -54268,33 +53980,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.989 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.223e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.345e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.515e-12 8.171e-12 -11.124 -11.088 0.036 28.61 Hto 2.199e-11 Hto 2.199e-11 2.199e-11 -10.658 -10.658 0.000 (0) I 1.279e-11 @@ -54302,28 +54014,27 @@ I 1.279e-11 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 Nat 1.376e-12 Nat+ 1.376e-12 1.376e-12 -11.861 -11.861 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.609e-08 - HS- 1.125e-08 7.407e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.840e-09 5.262e-09 -8.315 -8.279 0.036 36.27 - S-2 4.568e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.342e-18 1.459e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.118e-09 -7.909 -8.091 -0.182 21.14 + H2S 5.304e-09 5.767e-09 -8.275 -8.239 0.036 36.27 + S-2 5.006e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.612e-18 1.752e-18 -17.793 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -54338,7 +54049,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -54350,21 +54061,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -54388,7 +54099,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.934e-11 Surface + diffuse layer charge, eq + -8.962e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -54398,7 +54109,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -54407,14 +54118,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6648e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 1.3168e-13 - I 6.4964e-26 + Hto 1.3167e-13 + I 6.4977e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4323e-14 + Nat 2.4319e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -54438,25 +54149,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.139e-14 4.876e-15 + Nat 4.138e-14 4.875e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -54470,33 +54181,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.019e-11 - CH4 1.019e-11 1.107e-11 -10.992 -10.956 0.036 35.46 +C(-4) 1.117e-11 + CH4 1.117e-11 1.215e-11 -10.952 -10.916 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.466e-11 - H2 7.331e-12 7.970e-12 -11.135 -11.099 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.500e-11 + H2 7.502e-12 8.156e-12 -11.125 -11.089 0.036 28.61 Hto 1.116e-12 Hto 1.116e-12 1.116e-12 -11.952 -11.952 0.000 (0) I 5.515e-13 @@ -54504,28 +54215,27 @@ I 5.515e-13 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 4.139e-14 - Nat+ 4.139e-14 4.139e-14 -13.383 -13.383 -0.000 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 4.138e-14 + Nat+ 4.138e-14 4.138e-14 -13.383 -13.383 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.228 -70.192 0.036 30.40 -S(-2) 1.597e-08 - HS- 1.116e-08 7.349e-09 -7.952 -8.134 -0.182 21.14 - H2S 4.802e-09 5.221e-09 -8.319 -8.282 0.036 36.27 - S-2 4.532e-14 1.093e-14 -13.344 -13.962 -0.618 (0) - (H2S)2 1.321e-18 1.436e-18 -17.879 -17.843 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.248 -70.212 0.036 30.40 +S(-2) 1.751e-08 + HS- 1.224e-08 8.060e-09 -7.912 -8.094 -0.182 21.14 + H2S 5.266e-09 5.726e-09 -8.278 -8.242 0.036 36.27 + S-2 4.971e-14 1.198e-14 -13.304 -13.921 -0.618 (0) + (H2S)2 1.589e-18 1.728e-18 -17.799 -17.763 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -54540,7 +54250,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -54552,21 +54262,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.96 -2.80 CH4 + CH4(g) -8.11 -10.92 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.29 -15.22 -7.94 H2S + H2S(g) -7.25 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.22 -0.33 4.88 S + Sulfur -5.19 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -54590,7 +54300,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.917e-11 Surface + diffuse layer charge, eq + -8.945e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -54600,7 +54310,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -54609,14 +54319,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 4.8854e-15 - I 2.0455e-27 + Hto 4.8848e-15 + I 2.0459e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3240e-16 + Nat 5.3229e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -54635,30 +54345,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.140e-14 4.878e-15 + Hto 4.140e-14 4.877e-15 I 1.736e-14 2.045e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.059e-16 1.067e-16 + Nat 9.058e-16 1.067e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.117 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.678e-09 + Electrical balance (eq) = 1.332e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -54672,18 +54382,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.372e-12 - CH4 9.372e-12 1.019e-11 -11.028 -10.992 0.036 35.46 +C(-4) 1.036e-11 + CH4 1.036e-11 1.126e-11 -10.985 -10.948 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -54691,14 +54401,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.436e-11 - H2 7.180e-12 7.806e-12 -11.144 -11.108 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.472e-11 + H2 7.361e-12 8.004e-12 -11.133 -11.097 0.036 28.61 Hto 4.140e-14 Hto 4.140e-14 4.140e-14 -13.383 -13.383 0.000 (0) I 1.736e-14 @@ -54712,22 +54422,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 9.059e-16 - Nat+ 9.059e-16 9.059e-16 -15.043 -15.043 -0.000 (0) +Nat 9.058e-16 + Nat+ 9.058e-16 9.058e-16 -15.043 -15.043 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.210 -70.174 0.036 30.40 -S(-2) 1.469e-08 - HS- 1.027e-08 6.762e-09 -7.988 -8.170 -0.182 21.14 - H2S 4.419e-09 4.804e-09 -8.355 -8.318 0.036 36.27 - S-2 4.170e-14 1.005e-14 -13.380 -13.998 -0.618 (0) - (H2S)2 1.119e-18 1.216e-18 -17.951 -17.915 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.232 -70.195 0.036 30.40 +S(-2) 1.624e-08 + HS- 1.135e-08 7.473e-09 -7.945 -8.126 -0.182 21.14 + H2S 4.883e-09 5.309e-09 -8.311 -8.275 0.036 36.27 + S-2 4.609e-14 1.111e-14 -13.336 -13.954 -0.618 (0) + (H2S)2 1.366e-18 1.485e-18 -17.865 -17.828 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -54743,7 +54452,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -54754,21 +54463,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.19 -10.99 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.32 -15.26 -7.94 H2S + H2S(g) -7.28 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.20 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.24 -0.36 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -54792,7 +54501,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.908e-11 Surface + diffuse layer charge, eq + -8.936e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -54802,7 +54511,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -54811,14 +54520,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 1.2913e-16 + Hto 1.2911e-16 I 4.5828e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.2750e-18 + Nat 8.2730e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -54842,25 +54551,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.408e-17 1.659e-18 + Nat 1.408e-17 1.658e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.725e-09 + Electrical balance (eq) = 1.381e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -54874,18 +54583,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.258e-12 - CH4 9.258e-12 1.007e-11 -11.033 -10.997 0.036 35.46 +C(-4) 1.024e-11 + CH4 1.024e-11 1.114e-11 -10.990 -10.953 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -54893,14 +54602,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.432e-11 - H2 7.158e-12 7.782e-12 -11.145 -11.109 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.341e-12 7.981e-12 -11.134 -11.098 0.036 28.61 Hto 1.094e-15 Hto 1.094e-15 1.094e-15 -14.961 -14.961 0.000 (0) I 3.890e-16 @@ -54914,22 +54623,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.408e-17 Nat+ 1.408e-17 1.408e-17 -16.851 -16.851 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.451e-08 - HS- 1.015e-08 6.680e-09 -7.994 -8.175 -0.182 21.14 - H2S 4.365e-09 4.745e-09 -8.360 -8.324 0.036 36.27 - S-2 4.119e-14 9.929e-15 -13.385 -14.003 -0.618 (0) - (H2S)2 1.091e-18 1.187e-18 -17.962 -17.926 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.606e-08 + HS- 1.123e-08 7.390e-09 -7.950 -8.131 -0.182 21.14 + H2S 4.829e-09 5.250e-09 -8.316 -8.280 0.036 36.27 + S-2 4.558e-14 1.099e-14 -13.341 -13.959 -0.618 (0) + (H2S)2 1.336e-18 1.452e-18 -17.874 -17.838 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -54939,13 +54647,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -54956,21 +54664,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.36 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -54994,7 +54702,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.906e-11 Surface + diffuse layer charge, eq + -8.935e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -55004,7 +54712,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -55013,14 +54721,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 2.3068e-18 - I 6.9362e-31 + Hto 2.3064e-18 + I 6.9343e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.6721e-20 + Nat 8.6699e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -55044,25 +54752,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.476e-19 1.738e-20 + Nat 1.475e-19 1.738e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.110 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.269e-09 + Electrical balance (eq) = 9.250e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -55076,18 +54784,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.202e-12 - CH4 9.202e-12 1.000e-11 -11.036 -11.000 0.036 35.46 +C(-4) 1.019e-11 + CH4 1.019e-11 1.108e-11 -10.992 -10.956 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -55095,14 +54803,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.429e-11 - H2 7.147e-12 7.770e-12 -11.146 -11.110 0.036 28.61 +H(0) 1.466e-11 + H2 7.331e-12 7.970e-12 -11.135 -11.099 0.036 28.61 Hto 1.955e-17 Hto 1.955e-17 1.955e-17 -16.709 -16.709 0.000 (0) I 5.887e-18 @@ -55116,22 +54824,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 1.476e-19 - Nat+ 1.476e-19 1.476e-19 -18.831 -18.831 -0.000 (0) +Nat 1.475e-19 + Nat+ 1.475e-19 1.475e-19 -18.831 -18.831 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.206 -70.170 0.036 30.40 -S(-2) 1.442e-08 - HS- 1.009e-08 6.639e-09 -7.996 -8.178 -0.182 21.14 - H2S 4.338e-09 4.717e-09 -8.363 -8.326 0.036 36.27 - S-2 4.094e-14 9.869e-15 -13.388 -14.006 -0.618 (0) - (H2S)2 1.078e-18 1.172e-18 -17.967 -17.931 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.228 -70.192 0.036 30.40 +S(-2) 1.597e-08 + HS- 1.116e-08 7.350e-09 -7.952 -8.134 -0.182 21.14 + H2S 4.802e-09 5.221e-09 -8.319 -8.282 0.036 36.27 + S-2 4.533e-14 1.093e-14 -13.344 -13.962 -0.618 (0) + (H2S)2 1.321e-18 1.437e-18 -17.879 -17.843 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -55141,13 +54848,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -55158,21 +54865,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.96 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.22 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -55196,7 +54903,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.927e-11 Surface + diffuse layer charge, eq + -8.955e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -55206,7 +54913,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -55215,14 +54922,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6647e-10 H 1.2948e-04 - Hto 2.5001e-20 + Hto 2.4996e-20 I 6.3638e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.5035e-22 + Nat 5.5019e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -55241,30 +54948,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.119e-19 2.496e-20 + Hto 2.118e-19 2.496e-20 I 5.401e-20 6.363e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.365e-22 1.103e-22 + Nat 9.362e-22 1.103e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.116 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.255e-09 + Electrical balance (eq) = 9.108e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -55278,18 +54985,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.249e-12 - CH4 9.249e-12 1.006e-11 -11.034 -10.998 0.036 35.46 +C(-4) 1.023e-11 + CH4 1.023e-11 1.113e-11 -10.990 -10.954 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -55297,16 +55004,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.431e-11 - H2 7.156e-12 7.780e-12 -11.145 -11.109 0.036 28.61 -Hto 2.119e-19 - Hto 2.119e-19 2.119e-19 -18.674 -18.674 0.000 (0) + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.468e-11 + H2 7.339e-12 7.979e-12 -11.134 -11.098 0.036 28.61 +Hto 2.118e-19 + Hto 2.118e-19 2.118e-19 -18.674 -18.674 0.000 (0) I 5.401e-20 I- 5.401e-20 5.401e-20 -19.268 -19.268 -0.000 (0) K 1.540e-03 @@ -55318,22 +55025,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 9.365e-22 - Nat+ 9.365e-22 9.365e-22 -21.029 -21.029 -0.000 (0) +Nat 9.362e-22 + Nat+ 9.362e-22 9.362e-22 -21.029 -21.029 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.171 0.036 30.40 -S(-2) 1.450e-08 - HS- 1.014e-08 6.673e-09 -7.994 -8.176 -0.182 21.14 - H2S 4.360e-09 4.741e-09 -8.360 -8.324 0.036 36.27 - S-2 4.115e-14 9.919e-15 -13.386 -14.004 -0.618 (0) - (H2S)2 1.089e-18 1.184e-18 -17.963 -17.927 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.229 -70.193 0.036 30.40 +S(-2) 1.604e-08 + HS- 1.122e-08 7.384e-09 -7.950 -8.132 -0.182 21.14 + H2S 4.825e-09 5.246e-09 -8.317 -8.280 0.036 36.27 + S-2 4.554e-14 1.098e-14 -13.342 -13.960 -0.618 (0) + (H2S)2 1.334e-18 1.450e-18 -17.875 -17.839 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -55343,13 +55049,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -55360,21 +55066,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.20 -11.00 -2.80 CH4 + CH4(g) -8.15 -10.95 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.11 -3.10 H2 + H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.33 -15.27 -7.94 H2S + H2S(g) -7.29 -15.22 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.17 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.25 -0.37 4.88 S + Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -55398,7 +55104,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.926e-11 Surface + diffuse layer charge, eq + -8.954e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -55408,23 +55114,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 1.2428e-22 - I 2.6766e-35 + Hto 1.2426e-22 + I 2.6778e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5997e-24 + Nat 1.5992e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -55448,25 +55154,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.722e-24 3.207e-25 + Nat 2.721e-24 3.206e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -55480,62 +55186,61 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 Hto 1.053e-21 - Hto 1.053e-21 1.053e-21 -20.977 -20.977 0.000 (0) + Hto 1.053e-21 1.053e-21 -20.978 -20.978 0.000 (0) I 2.272e-22 I- 2.272e-22 2.272e-22 -21.644 -21.644 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.722e-24 - Nat+ 2.722e-24 2.722e-24 -23.565 -23.565 -0.000 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 2.721e-24 + Nat+ 2.721e-24 2.721e-24 -23.565 -23.565 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.125e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.264e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -55550,7 +55255,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -55562,21 +55267,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -55600,7 +55305,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -55610,16 +55315,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -55651,18 +55356,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -55676,56 +55381,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.125e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.263e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -55740,7 +55444,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -55752,21 +55456,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -55790,7 +55494,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -55800,16 +55504,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -55841,18 +55545,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -55866,56 +55570,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.345e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.125e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.263e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -55930,7 +55633,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -55942,21 +55645,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -55980,7 +55683,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -55990,16 +55693,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -56031,18 +55734,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -56056,56 +55759,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.117e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.126e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.264e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -56120,7 +55822,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -56132,21 +55834,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -56170,7 +55872,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -56180,16 +55882,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -56221,18 +55923,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -56246,56 +55948,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.117e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.126e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.264e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -56310,7 +56011,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -56322,21 +56023,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -56360,7 +56061,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -56370,16 +56071,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -56411,18 +56112,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -56436,56 +56137,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.989 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.345e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.609e-08 - HS- 1.125e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.263e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -56500,7 +56200,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -56512,21 +56212,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -56550,7 +56250,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -56560,16 +56260,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -56601,18 +56301,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -56626,56 +56326,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.345e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.125e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.263e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -56690,7 +56389,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -56702,21 +56401,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -56740,7 +56439,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -56750,16 +56449,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -56791,18 +56490,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -56816,56 +56515,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.125e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.263e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -56880,7 +56578,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -56892,21 +56590,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -56930,7 +56628,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -56940,16 +56638,16 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -56981,18 +56679,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.165e-09 + Electrical balance (eq) = 8.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -57006,56 +56704,55 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.117e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.986e-12 -11.134 -11.098 0.036 28.61 +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.126e-08 7.410e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.842e-09 5.264e-09 -8.315 -8.279 0.036 36.27 - S-2 4.570e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -57070,7 +56767,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -57082,21 +56779,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -57126,18 +56823,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -57151,8 +56848,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -57176,8 +56873,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -57197,16 +56894,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -57233,21 +56929,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -57275,18 +56971,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -57300,8 +56996,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -57325,8 +57021,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -57346,16 +57042,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -57382,21 +57077,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -57433,18 +57128,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.872 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.861 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.569e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -57458,8 +57153,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.153e-13 - CH4 1.153e-13 1.254e-13 -12.938 -12.902 0.036 35.46 +C(-4) 9.313e-14 + CH4 9.313e-14 1.012e-13 -13.031 -12.995 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -57483,8 +57178,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 4.782e-12 - H2 2.391e-12 2.600e-12 -11.621 -11.585 0.036 28.61 +H(0) 4.533e-12 + H2 2.267e-12 2.464e-12 -11.645 -11.608 0.036 28.61 Hto 6.849e-07 Hto 6.849e-07 6.849e-07 -6.164 -6.164 0.000 (0) I 8.143e-07 @@ -57504,16 +57199,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.570e-07 Nat+ 4.570e-07 4.570e-07 -6.340 -6.340 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.255 -69.219 0.036 30.40 -S(-2) 1.808e-10 - HS- 1.264e-10 8.321e-11 -9.898 -10.080 -0.182 21.14 - H2S 5.439e-11 5.913e-11 -10.264 -10.228 0.036 36.27 - S-2 5.129e-16 1.236e-16 -15.290 -15.908 -0.618 (0) - (H2S)2 1.695e-22 1.843e-22 -21.771 -21.735 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.208 -69.172 0.036 30.40 +S(-2) 1.460e-10 + HS- 1.021e-10 6.719e-11 -9.991 -10.173 -0.182 21.14 + H2S 4.392e-11 4.775e-11 -10.357 -10.321 0.036 36.27 + S-2 4.142e-16 9.985e-17 -15.383 -16.001 -0.618 (0) + (H2S)2 1.105e-22 1.202e-22 -21.957 -21.920 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -57540,21 +57234,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.10 -12.90 -2.80 CH4 + CH4(g) -10.19 -12.99 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.48 -11.59 -3.10 H2 + H2(g) -8.51 -11.61 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.23 -17.17 -7.94 H2S + H2S(g) -9.33 -17.26 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.33 -69.22 -2.89 O2 + O2(g) -66.28 -69.17 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.68 -1.79 4.88 S + Sulfur -6.74 -1.86 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -57578,7 +57272,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.050e-13 Surface + diffuse layer charge, eq + -9.920e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -57588,7 +57282,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -57597,10 +57291,10 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6664e-10 + Cl 4.6665e-10 H 1.2947e-04 Hto 5.6768e-08 - I 6.9642e-20 + I 6.9655e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -57635,18 +57329,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.996 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.985 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.004e-09 + Electrical balance (eq) = 1.740e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -57660,8 +57354,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.121e-12 - CH4 1.121e-12 1.219e-12 -11.950 -11.914 0.036 35.46 +C(-4) 9.236e-13 + CH4 9.236e-13 1.004e-12 -12.035 -11.998 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -57685,8 +57379,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.445e-12 - H2 4.222e-12 4.591e-12 -11.374 -11.338 0.036 28.61 +H(0) 8.045e-12 + H2 4.022e-12 4.373e-12 -11.396 -11.359 0.036 28.61 Hto 4.811e-07 Hto 4.811e-07 4.811e-07 -6.318 -6.318 0.000 (0) I 5.911e-07 @@ -57706,16 +57400,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.072e-07 Nat+ 3.072e-07 3.072e-07 -6.513 -6.513 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.749 -69.713 0.036 30.40 -S(-2) 1.758e-09 - HS- 1.229e-09 8.092e-10 -8.910 -9.092 -0.182 21.14 - H2S 5.289e-10 5.750e-10 -9.277 -9.240 0.036 36.27 - S-2 4.988e-15 1.202e-15 -14.302 -14.920 -0.618 (0) - (H2S)2 1.603e-20 1.742e-20 -19.795 -19.759 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.707 -69.670 0.036 30.40 +S(-2) 1.448e-09 + HS- 1.012e-09 6.664e-10 -8.995 -9.176 -0.182 21.14 + H2S 4.356e-10 4.736e-10 -9.361 -9.325 0.036 36.27 + S-2 4.108e-15 9.903e-16 -14.386 -15.004 -0.618 (0) + (H2S)2 1.087e-20 1.182e-20 -19.964 -19.927 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -57742,21 +57435,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.11 -11.91 -2.80 CH4 + CH4(g) -9.20 -12.00 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.26 -11.36 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.25 -16.18 -7.94 H2S + H2S(g) -8.33 -16.27 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.82 -69.71 -2.89 O2 + O2(g) -66.78 -69.67 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.93 -1.05 4.88 S + Sulfur -6.00 -1.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -57780,7 +57473,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.975e-11 Surface + diffuse layer charge, eq + -8.956e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -57790,7 +57483,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -57799,14 +57492,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6650e-10 + Cl 4.6652e-10 H 1.2948e-04 Hto 1.7832e-08 I 1.9323e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9857e-08 + Nat 3.9855e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -57837,18 +57530,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.107 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.102 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.960e-09 + Electrical balance (eq) = 5.344e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -57862,8 +57555,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.660e-12 - CH4 8.660e-12 9.415e-12 -11.062 -11.026 0.036 35.46 +C(-4) 7.937e-12 + CH4 7.937e-12 8.629e-12 -11.100 -11.064 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -57873,9 +57566,9 @@ C(4) 2.744e-03 CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -57883,12 +57576,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.408e-11 - H2 7.039e-12 7.653e-12 -11.152 -11.116 0.036 28.61 +H(0) 1.377e-11 + H2 6.887e-12 7.488e-12 -11.162 -11.126 0.036 28.61 Hto 1.511e-07 Hto 1.511e-07 1.511e-07 -6.821 -6.821 0.000 (0) I 1.640e-07 @@ -57903,21 +57596,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 6.782e-08 Nat+ 6.782e-08 6.782e-08 -7.169 -7.169 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.193 -70.156 0.036 30.40 -S(-2) 1.357e-08 - HS- 9.491e-09 6.248e-09 -8.023 -8.204 -0.182 21.14 - H2S 4.083e-09 4.439e-09 -8.389 -8.353 0.036 36.27 - S-2 3.853e-14 9.288e-15 -13.414 -14.032 -0.618 (0) - (H2S)2 9.550e-19 1.038e-18 -18.020 -17.984 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.174 -70.138 0.036 30.40 +S(-2) 1.244e-08 + HS- 8.699e-09 5.726e-09 -8.061 -8.242 -0.182 21.14 + H2S 3.742e-09 4.068e-09 -8.427 -8.391 0.036 36.27 + S-2 3.531e-14 8.512e-15 -13.452 -14.070 -0.618 (0) + (H2S)2 8.022e-19 8.722e-19 -18.096 -18.059 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -57927,12 +57619,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -57944,21 +57636,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.22 -11.03 -2.80 CH4 + CH4(g) -8.26 -11.06 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.02 -11.12 -3.10 H2 + H2(g) -8.02 -11.13 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.36 -15.29 -7.94 H2S + H2S(g) -7.40 -15.33 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.26 -70.16 -2.89 O2 + O2(g) -67.25 -70.14 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.27 -0.39 4.88 S + Sulfur -5.30 -0.41 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -57982,7 +57674,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -8.990e-11 Surface + diffuse layer charge, eq + -8.994e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -57992,7 +57684,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -58003,12 +57695,12 @@ Su Ca 7.1884e-02 Cl 4.6646e-10 H 1.2948e-04 - Hto 3.6604e-09 + Hto 3.6603e-09 I 3.4402e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.2580e-09 + Nat 5.2577e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -58039,18 +57731,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.118 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.082e-09 + Electrical balance (eq) = 7.319e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -58064,8 +57756,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.066e-11 - CH4 1.066e-11 1.158e-11 -10.972 -10.936 0.036 35.46 +C(-4) 1.113e-11 + CH4 1.113e-11 1.210e-11 -10.954 -10.917 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -58078,7 +57770,7 @@ C(4) 2.744e-03 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -58089,8 +57781,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.483e-11 - H2 7.414e-12 8.060e-12 -11.130 -11.094 0.036 28.61 +H(0) 1.499e-11 + H2 7.495e-12 8.149e-12 -11.125 -11.089 0.036 28.61 Hto 3.102e-08 Hto 3.102e-08 3.102e-08 -7.508 -7.508 0.000 (0) I 2.920e-08 @@ -58105,21 +57797,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 8.947e-09 Nat+ 8.947e-09 8.947e-09 -8.048 -8.048 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.238 -70.201 0.036 30.40 -S(-2) 1.670e-08 - HS- 1.168e-08 7.688e-09 -7.933 -8.114 -0.182 21.14 - H2S 5.023e-09 5.461e-09 -8.299 -8.263 0.036 36.27 - S-2 4.741e-14 1.143e-14 -13.324 -13.942 -0.618 (0) - (H2S)2 1.446e-18 1.572e-18 -17.840 -17.804 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.247 -70.211 0.036 30.40 +S(-2) 1.744e-08 + HS- 1.220e-08 8.029e-09 -7.914 -8.095 -0.182 21.14 + H2S 5.246e-09 5.704e-09 -8.280 -8.244 0.036 36.27 + S-2 4.952e-14 1.194e-14 -13.305 -13.923 -0.618 (0) + (H2S)2 1.577e-18 1.714e-18 -17.802 -17.766 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -58146,21 +57837,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.13 -10.94 -2.80 CH4 + CH4(g) -8.12 -10.92 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.27 -15.20 -7.94 H2S + H2S(g) -7.25 -15.19 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.31 -70.20 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.20 -0.32 4.88 S + Sulfur -5.19 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -58184,7 +57875,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -8.974e-11 Surface + diffuse layer charge, eq + -8.999e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -58194,23 +57885,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 5.2664e-10 - I 4.2533e-22 + Hto 5.2662e-10 + I 4.2522e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6763e-10 + Nat 4.6759e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -58241,18 +57932,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.121 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.125 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.308e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -58264,35 +57955,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.118e-11 - CH4 1.118e-11 1.216e-11 -10.952 -10.915 0.036 35.46 +C(-4) 1.210e-11 + CH4 1.210e-11 1.315e-11 -10.917 -10.881 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.501e-11 - H2 7.504e-12 8.158e-12 -11.125 -11.088 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.531e-11 + H2 7.653e-12 8.321e-12 -11.116 -11.080 0.036 28.61 Hto 4.463e-09 Hto 4.463e-09 4.463e-09 -8.350 -8.350 0.000 (0) I 3.610e-09 @@ -58312,16 +58003,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 7.957e-10 Nat+ 7.957e-10 7.957e-10 -9.099 -9.099 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.248 -70.212 0.036 30.40 -S(-2) 1.753e-08 - HS- 1.225e-08 8.067e-09 -7.912 -8.093 -0.182 21.14 - H2S 5.271e-09 5.731e-09 -8.278 -8.242 0.036 36.27 - S-2 4.975e-14 1.199e-14 -13.303 -13.921 -0.618 (0) - (H2S)2 1.592e-18 1.731e-18 -17.798 -17.762 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.265 -70.229 0.036 30.40 +S(-2) 1.896e-08 + HS- 1.326e-08 8.729e-09 -7.877 -8.059 -0.182 21.14 + H2S 5.703e-09 6.201e-09 -8.244 -8.208 0.036 36.27 + S-2 5.383e-14 1.298e-14 -13.269 -13.887 -0.618 (0) + (H2S)2 1.863e-18 2.026e-18 -17.730 -17.693 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -58330,13 +58020,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -58348,21 +58038,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.92 -2.80 CH4 + CH4(g) -8.08 -10.88 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.25 -15.18 -7.94 H2S + H2S(g) -7.21 -15.15 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.19 -0.30 4.88 S + Sulfur -5.16 -0.28 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -58386,7 +58076,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.966e-11 Surface + diffuse layer charge, eq + -8.994e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -58396,23 +58086,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 5.5312e-11 - I 3.8180e-23 + Hto 5.5309e-11 + I 3.8186e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9749e-11 + Nat 2.9746e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -58436,25 +58126,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.062e-11 5.964e-12 + Nat 5.062e-11 5.963e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.121 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.075e-09 + Electrical balance (eq) = 7.310e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -58466,35 +58156,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.128e-11 - CH4 1.128e-11 1.226e-11 -10.948 -10.912 0.036 35.46 +C(-4) 1.226e-11 + CH4 1.226e-11 1.333e-11 -10.912 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.519e-12 8.175e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.678e-12 8.348e-12 -11.115 -11.078 0.036 28.61 Hto 4.687e-10 Hto 4.687e-10 4.687e-10 -9.329 -9.329 0.000 (0) I 3.241e-10 @@ -58514,16 +58204,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 5.062e-11 Nat+ 5.062e-11 5.062e-11 -10.296 -10.296 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.767e-08 - HS- 1.236e-08 8.136e-09 -7.908 -8.090 -0.182 21.14 - H2S 5.316e-09 5.779e-09 -8.274 -8.238 0.036 36.27 - S-2 5.017e-14 1.209e-14 -13.300 -13.917 -0.618 (0) - (H2S)2 1.619e-18 1.760e-18 -17.791 -17.754 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.268 -70.232 0.036 30.40 +S(-2) 1.921e-08 + HS- 1.343e-08 8.843e-09 -7.872 -8.053 -0.182 21.14 + H2S 5.778e-09 6.282e-09 -8.238 -8.202 0.036 36.27 + S-2 5.454e-14 1.315e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.913e-18 2.079e-18 -17.718 -17.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -58532,13 +58221,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -58550,21 +58239,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.88 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -58588,7 +58277,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -58598,7 +58287,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -58607,14 +58296,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 4.3368e-12 + Hto 4.3364e-12 I 2.5506e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3961e-12 + Nat 1.3959e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -58633,30 +58322,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.675e-11 4.330e-12 + Hto 3.675e-11 4.329e-12 I 2.165e-11 2.551e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.376e-12 2.799e-13 + Nat 2.375e-12 2.798e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.121 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -58668,35 +58357,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.128e-11 - CH4 1.128e-11 1.227e-11 -10.948 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.520e-12 8.176e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.680e-12 8.349e-12 -11.115 -11.078 0.036 28.61 Hto 3.675e-11 Hto 3.675e-11 3.675e-11 -10.435 -10.435 0.000 (0) I 2.165e-11 @@ -58716,16 +58405,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.376e-12 - Nat+ 2.376e-12 2.376e-12 -11.624 -11.624 -0.000 (0) +Nat 2.375e-12 + Nat+ 2.375e-12 2.375e-12 -11.624 -11.624 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.768e-08 - HS- 1.237e-08 8.140e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.319e-09 5.782e-09 -8.274 -8.238 0.036 36.27 - S-2 5.020e-14 1.210e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.621e-18 1.762e-18 -17.790 -17.754 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.268 -70.232 0.036 30.40 +S(-2) 1.923e-08 + HS- 1.344e-08 8.851e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.783e-09 6.287e-09 -8.238 -8.202 0.036 36.27 + S-2 5.459e-14 1.316e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.916e-18 2.083e-18 -17.718 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -58734,13 +58422,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -58752,21 +58440,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -58790,7 +58478,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.963e-11 Surface + diffuse layer charge, eq + -8.991e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -58800,23 +58488,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 2.5625e-13 - I 1.2816e-25 + Hto 2.5622e-13 + I 1.2814e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9000e-14 + Nat 4.8992e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -58835,30 +58523,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.172e-12 2.558e-13 + Hto 2.171e-12 2.558e-13 I 1.088e-12 1.281e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.338e-14 9.823e-15 + Nat 8.336e-14 9.821e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.121 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -58870,37 +58558,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.117e-11 - CH4 1.117e-11 1.215e-11 -10.952 -10.915 0.036 35.46 +C(-4) 1.216e-11 + CH4 1.216e-11 1.322e-11 -10.915 -10.879 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.500e-11 - H2 7.502e-12 8.157e-12 -11.125 -11.088 0.036 28.61 -Hto 2.172e-12 - Hto 2.172e-12 2.172e-12 -11.663 -11.663 0.000 (0) + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.533e-11 + H2 7.663e-12 8.331e-12 -11.116 -11.079 0.036 28.61 +Hto 2.171e-12 + Hto 2.171e-12 2.171e-12 -11.663 -11.663 0.000 (0) I 1.088e-12 I- 1.088e-12 1.088e-12 -11.964 -11.964 -0.000 (0) K 1.540e-03 @@ -58918,16 +58606,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 8.338e-14 - Nat+ 8.338e-14 8.338e-14 -13.079 -13.079 -0.000 (0) +Nat 8.336e-14 + Nat+ 8.336e-14 8.336e-14 -13.079 -13.079 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.248 -70.212 0.036 30.40 -S(-2) 1.751e-08 - HS- 1.225e-08 8.062e-09 -7.912 -8.094 -0.182 21.14 - H2S 5.267e-09 5.727e-09 -8.278 -8.242 0.036 36.27 - S-2 4.972e-14 1.198e-14 -13.303 -13.921 -0.618 (0) - (H2S)2 1.590e-18 1.728e-18 -17.799 -17.762 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.266 -70.230 0.036 30.40 +S(-2) 1.906e-08 + HS- 1.333e-08 8.773e-09 -7.875 -8.057 -0.182 21.14 + H2S 5.732e-09 6.232e-09 -8.242 -8.205 0.036 36.27 + S-2 5.410e-14 1.304e-14 -13.267 -13.885 -0.618 (0) + (H2S)2 1.882e-18 2.046e-18 -17.725 -17.689 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -58936,13 +58623,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -58954,21 +58641,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.92 -2.80 CH4 + CH4(g) -8.08 -10.88 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.25 -15.18 -7.94 H2S + H2S(g) -7.21 -15.15 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.19 -0.30 4.88 S + Sulfur -5.16 -0.28 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -58992,7 +58679,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.946e-11 Surface + diffuse layer charge, eq + -8.974e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -59002,23 +58689,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6645e-10 H 1.2948e-04 - Hto 1.1391e-14 - I 4.8373e-27 + Hto 1.1390e-14 + I 4.8365e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2873e-15 + Nat 1.2870e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -59037,30 +58724,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.654e-14 1.137e-14 + Hto 9.652e-14 1.137e-14 I 4.105e-14 4.836e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.190e-15 2.581e-16 + Nat 2.190e-15 2.580e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.117 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.122 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.589e-09 + Electrical balance (eq) = 1.243e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -59074,21 +58761,21 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.042e-11 - CH4 1.042e-11 1.133e-11 -10.982 -10.946 0.036 35.46 +C(-4) 1.141e-11 + CH4 1.141e-11 1.240e-11 -10.943 -10.906 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -59099,37 +58786,36 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.475e-11 - H2 7.373e-12 8.016e-12 -11.132 -11.096 0.036 28.61 -Hto 9.654e-14 - Hto 9.654e-14 9.654e-14 -13.015 -13.015 0.000 (0) +H(0) 1.508e-11 + H2 7.541e-12 8.199e-12 -11.123 -11.086 0.036 28.61 +Hto 9.652e-14 + Hto 9.652e-14 9.652e-14 -13.015 -13.015 0.000 (0) I 4.105e-14 I- 4.105e-14 4.105e-14 -13.387 -13.387 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 Nat 2.190e-15 - Nat+ 2.190e-15 2.190e-15 -14.659 -14.659 -0.000 (0) + Nat+ 2.190e-15 2.190e-15 -14.660 -14.660 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.233 -70.197 0.036 30.40 -S(-2) 1.634e-08 - HS- 1.142e-08 7.520e-09 -7.942 -8.124 -0.182 21.14 - H2S 4.914e-09 5.342e-09 -8.309 -8.272 0.036 36.27 - S-2 4.638e-14 1.118e-14 -13.334 -13.952 -0.618 (0) - (H2S)2 1.383e-18 1.504e-18 -17.859 -17.823 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.253 -70.216 0.036 30.40 +S(-2) 1.788e-08 + HS- 1.250e-08 8.231e-09 -7.903 -8.085 -0.182 21.14 + H2S 5.378e-09 5.847e-09 -8.269 -8.233 0.036 36.27 + S-2 5.076e-14 1.224e-14 -13.294 -13.912 -0.618 (0) + (H2S)2 1.657e-18 1.802e-18 -17.781 -17.744 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -59144,7 +58830,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -59156,21 +58842,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.14 -10.95 -2.80 CH4 + CH4(g) -8.10 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.21 -7.94 H2S + H2S(g) -7.24 -15.17 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.20 -2.89 O2 + O2(g) -67.32 -70.22 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -59194,7 +58880,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.937e-11 Surface + diffuse layer charge, eq + -8.965e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -59204,23 +58890,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 3.7591e-16 - I 1.3536e-28 + Hto 3.7586e-16 + I 1.3534e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5015e-17 + Nat 2.5009e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -59239,30 +58925,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.186e-15 3.753e-16 + Hto 3.185e-15 3.753e-16 I 1.149e-15 1.353e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.257e-17 5.015e-18 + Nat 4.256e-17 5.013e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.636e-09 + Electrical balance (eq) = 1.292e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -59276,62 +58962,61 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.028e-11 - CH4 1.028e-11 1.118e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.127e-11 + CH4 1.127e-11 1.225e-11 -10.948 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.470e-11 - H2 7.348e-12 7.988e-12 -11.134 -11.098 0.036 28.61 -Hto 3.186e-15 - Hto 3.186e-15 3.186e-15 -14.497 -14.497 0.000 (0) +H(0) 1.504e-11 + H2 7.518e-12 8.173e-12 -11.124 -11.088 0.036 28.61 +Hto 3.185e-15 + Hto 3.185e-15 3.185e-15 -14.497 -14.497 0.000 (0) I 1.149e-15 I- 1.149e-15 1.149e-15 -14.940 -14.940 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 4.257e-17 - Nat+ 4.257e-17 4.257e-17 -16.371 -16.371 -0.000 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 4.256e-17 + Nat+ 4.256e-17 4.256e-17 -16.371 -16.371 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.194 0.036 30.40 -S(-2) 1.611e-08 - HS- 1.127e-08 7.417e-09 -7.948 -8.130 -0.182 21.14 - H2S 4.846e-09 5.269e-09 -8.315 -8.278 0.036 36.27 - S-2 4.574e-14 1.103e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.346e-18 1.463e-18 -17.871 -17.835 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 +S(-2) 1.766e-08 + HS- 1.235e-08 8.128e-09 -7.908 -8.090 -0.182 21.14 + H2S 5.311e-09 5.774e-09 -8.275 -8.239 0.036 36.27 + S-2 5.013e-14 1.208e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.616e-18 1.757e-18 -17.792 -17.755 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -59346,7 +59031,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -59358,21 +59043,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -59396,7 +59081,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.964e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -59406,23 +59091,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 8.9456e-18 - I 2.7294e-30 + Hto 8.9442e-18 + I 2.7298e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.4960e-19 + Nat 3.4951e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -59441,30 +59126,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.581e-17 8.931e-18 + Hto 7.580e-17 8.930e-18 I 2.317e-17 2.729e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.949e-19 7.008e-20 + Nat 5.947e-19 7.006e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.180e-09 + Electrical balance (eq) = 8.356e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -59478,62 +59163,61 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.117e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.126e-11 + CH4 1.126e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.987e-12 -11.134 -11.098 0.036 28.61 -Hto 7.581e-17 - Hto 7.581e-17 7.581e-17 -16.120 -16.120 0.000 (0) +H(0) 1.503e-11 + H2 7.516e-12 8.172e-12 -11.124 -11.088 0.036 28.61 +Hto 7.580e-17 + Hto 7.580e-17 7.580e-17 -16.120 -16.120 0.000 (0) I 2.317e-17 I- 2.317e-17 2.317e-17 -16.635 -16.635 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 5.949e-19 - Nat+ 5.949e-19 5.949e-19 -18.226 -18.226 -0.000 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 5.947e-19 + Nat+ 5.947e-19 5.947e-19 -18.226 -18.226 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.194 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.126e-08 7.411e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.842e-09 5.265e-09 -8.315 -8.279 0.036 36.27 - S-2 4.570e-14 1.102e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.461e-18 -17.872 -17.835 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.234e-08 8.122e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.306e-09 5.769e-09 -8.275 -8.239 0.036 36.27 + S-2 5.009e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.754e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -59548,7 +59232,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -59560,21 +59244,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -59598,7 +59282,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.935e-11 Surface + diffuse layer charge, eq + -8.963e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -59608,7 +59292,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -59617,14 +59301,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 1.4531e-19 + Hto 1.4529e-19 I 3.7544e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3284e-21 + Nat 3.3275e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -59648,25 +59332,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.664e-21 6.672e-22 + Nat 5.662e-21 6.670e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.166e-09 + Electrical balance (eq) = 8.213e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -59680,33 +59364,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.022e-11 - CH4 1.022e-11 1.111e-11 -10.990 -10.954 0.036 35.46 +C(-4) 1.121e-11 + CH4 1.121e-11 1.218e-11 -10.951 -10.914 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.467e-11 - H2 7.337e-12 7.977e-12 -11.134 -11.098 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.502e-11 + H2 7.508e-12 8.163e-12 -11.124 -11.088 0.036 28.61 Hto 1.231e-18 Hto 1.231e-18 1.231e-18 -17.910 -17.910 0.000 (0) I 3.187e-19 @@ -59714,28 +59398,27 @@ I 3.187e-19 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 5.664e-21 - Nat+ 5.664e-21 5.664e-21 -20.247 -20.247 -0.000 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 5.662e-21 + Nat+ 5.662e-21 5.662e-21 -20.247 -20.247 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.229 -70.192 0.036 30.40 -S(-2) 1.602e-08 - HS- 1.120e-08 7.375e-09 -7.951 -8.132 -0.182 21.14 - H2S 4.819e-09 5.239e-09 -8.317 -8.281 0.036 36.27 - S-2 4.548e-14 1.096e-14 -13.342 -13.960 -0.618 (0) - (H2S)2 1.330e-18 1.446e-18 -17.876 -17.840 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.249 -70.212 0.036 30.40 +S(-2) 1.756e-08 + HS- 1.228e-08 8.085e-09 -7.911 -8.092 -0.182 21.14 + H2S 5.283e-09 5.744e-09 -8.277 -8.241 0.036 36.27 + S-2 4.986e-14 1.202e-14 -13.302 -13.920 -0.618 (0) + (H2S)2 1.599e-18 1.738e-18 -17.796 -17.760 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -59750,7 +59433,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -59762,21 +59445,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.29 -15.22 -7.94 H2S + H2S(g) -7.25 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -59800,7 +59483,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.952e-11 Surface + diffuse layer charge, eq + -8.980e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -59810,23 +59493,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6646e-10 H 1.2948e-04 - Hto 1.4438e-21 - I 3.1574e-34 + Hto 1.4435e-21 + I 3.1578e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9352e-23 + Nat 1.9346e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -59845,30 +59528,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.224e-20 1.441e-21 + Hto 1.223e-20 1.441e-21 I 2.680e-21 3.157e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.293e-23 3.880e-24 + Nat 3.292e-23 3.878e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.121 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.658e-09 + Electrical balance (eq) = 2.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -59882,62 +59565,61 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.116e-11 -10.988 -10.952 0.036 35.46 +C(-4) 1.125e-11 + CH4 1.125e-11 1.224e-11 -10.949 -10.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.986e-12 -11.134 -11.098 0.036 28.61 -Hto 1.224e-20 - Hto 1.224e-20 1.224e-20 -19.912 -19.912 0.000 (0) +H(0) 1.503e-11 + H2 7.516e-12 8.171e-12 -11.124 -11.088 0.036 28.61 +Hto 1.223e-20 + Hto 1.223e-20 1.223e-20 -19.912 -19.912 0.000 (0) I 2.680e-21 I- 2.680e-21 2.680e-21 -20.572 -20.572 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 3.293e-23 - Nat+ 3.293e-23 3.293e-23 -22.482 -22.482 -0.000 (0) + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 3.292e-23 + Nat+ 3.292e-23 3.292e-23 -22.483 -22.483 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.193 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.125e-08 7.409e-09 -7.949 -8.130 -0.182 21.14 - H2S 4.841e-09 5.264e-09 -8.315 -8.279 0.036 36.27 - S-2 4.569e-14 1.101e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.343e-18 1.460e-18 -17.872 -17.836 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.250 -70.213 0.036 30.40 +S(-2) 1.764e-08 + HS- 1.233e-08 8.120e-09 -7.909 -8.090 -0.182 21.14 + H2S 5.305e-09 5.768e-09 -8.275 -8.239 0.036 36.27 + S-2 5.008e-14 1.207e-14 -13.300 -13.918 -0.618 (0) + (H2S)2 1.613e-18 1.753e-18 -17.792 -17.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -59952,7 +59634,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -59964,21 +59646,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.10 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.32 -70.21 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -60002,7 +59684,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.956e-11 Surface + diffuse layer charge, eq + -8.984e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -60012,7 +59694,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -60021,10 +59703,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 6.6251e-24 - I 1.2262e-36 + Hto 6.6237e-24 + I 1.2258e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -60046,7 +59728,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.615e-23 6.614e-24 + Hto 5.613e-23 6.613e-24 I 1.041e-23 1.226e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -60057,18 +59739,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -60080,37 +59762,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.522e-12 8.178e-12 -11.124 -11.087 0.036 28.61 -Hto 5.615e-23 - Hto 5.615e-23 5.615e-23 -22.251 -22.251 0.000 (0) + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 +Hto 5.613e-23 + Hto 5.613e-23 5.613e-23 -22.251 -22.251 0.000 (0) I 1.041e-23 I- 1.041e-23 1.041e-23 -22.983 -22.983 -0.000 (0) K 1.540e-03 @@ -60128,14 +59810,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.145e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.322e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.622e-18 1.764e-18 -17.790 -17.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -60144,13 +59825,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -60162,21 +59843,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -60200,7 +59881,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -60210,7 +59891,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -60219,7 +59900,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -60251,18 +59932,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -60274,35 +59955,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.521e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -60318,14 +59999,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.145e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.322e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.622e-18 1.764e-18 -17.790 -17.754 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -60334,13 +60014,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -60352,21 +60032,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -60390,7 +60070,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -60400,7 +60080,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -60409,7 +60089,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -60441,18 +60121,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -60464,35 +60144,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.522e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -60508,14 +60188,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.145e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.322e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.623e-18 1.764e-18 -17.790 -17.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -60524,13 +60203,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -60542,21 +60221,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -60580,7 +60259,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -60590,7 +60269,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -60599,7 +60278,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -60631,18 +60310,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -60654,35 +60333,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.522e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -60698,14 +60377,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.145e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.322e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.623e-18 1.764e-18 -17.790 -17.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -60714,13 +60392,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -60732,21 +60410,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -60770,7 +60448,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -60780,7 +60458,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -60789,7 +60467,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -60821,18 +60499,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -60844,35 +60522,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.521e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -60888,14 +60566,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.144e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.321e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.622e-18 1.764e-18 -17.790 -17.754 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -60904,13 +60581,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -60922,21 +60599,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -60960,7 +60637,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -60970,7 +60647,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -60979,7 +60656,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -61011,18 +60688,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -61034,35 +60711,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.521e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -61078,14 +60755,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.144e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.321e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.622e-18 1.764e-18 -17.790 -17.754 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -61094,13 +60770,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -61112,21 +60788,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -61150,7 +60826,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -61160,7 +60836,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -61169,7 +60845,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -61201,18 +60877,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -61224,35 +60900,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.522e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -61268,14 +60944,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.145e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.322e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.622e-18 1.764e-18 -17.790 -17.754 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -61284,13 +60959,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -61302,21 +60977,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -61340,7 +61015,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -61350,7 +61025,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -61359,7 +61034,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -61391,18 +61066,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -61414,35 +61089,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.334e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.522e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -61458,14 +61133,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.770e-08 - HS- 1.237e-08 8.145e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.322e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.623e-18 1.764e-18 -17.790 -17.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -61474,13 +61148,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -61492,21 +61166,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -61536,18 +61210,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -61561,8 +61235,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -61586,8 +61260,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -61607,16 +61281,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -61643,21 +61316,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -61685,18 +61358,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -61710,8 +61383,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -61735,8 +61408,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -61756,16 +61429,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -61792,21 +61464,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -61843,18 +61515,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.885 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.874 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -61868,8 +61540,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.463e-13 - CH4 1.463e-13 1.590e-13 -12.835 -12.799 0.036 35.46 +C(-4) 1.187e-13 + CH4 1.187e-13 1.290e-13 -12.926 -12.889 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -61893,8 +61565,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 5.075e-12 - H2 2.537e-12 2.759e-12 -11.596 -11.559 0.036 28.61 +H(0) 4.816e-12 + H2 2.408e-12 2.618e-12 -11.618 -11.582 0.036 28.61 Hto 6.746e-07 Hto 6.746e-07 6.746e-07 -6.171 -6.171 0.000 (0) I 8.078e-07 @@ -61914,16 +61586,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.433e-07 Nat+ 4.433e-07 4.433e-07 -6.353 -6.353 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.307 -69.270 0.036 30.40 -S(-2) 2.293e-10 - HS- 1.603e-10 1.055e-10 -9.795 -9.977 -0.182 21.14 - H2S 6.898e-11 7.500e-11 -10.161 -10.125 0.036 36.27 - S-2 6.506e-16 1.568e-16 -15.187 -15.805 -0.618 (0) - (H2S)2 2.726e-22 2.964e-22 -21.564 -21.528 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.261 -69.225 0.036 30.40 +S(-2) 1.860e-10 + HS- 1.301e-10 8.562e-11 -9.886 -10.067 -0.182 21.14 + H2S 5.597e-11 6.085e-11 -10.252 -10.216 0.036 36.27 + S-2 5.278e-16 1.272e-16 -15.278 -15.895 -0.618 (0) + (H2S)2 1.795e-22 1.951e-22 -21.746 -21.710 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -61950,21 +61621,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -10.00 -12.80 -2.80 CH4 + CH4(g) -10.09 -12.89 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.46 -11.56 -3.10 H2 + H2(g) -8.48 -11.58 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.13 -17.07 -7.94 H2S + H2S(g) -9.22 -17.16 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.38 -69.27 -2.89 O2 + O2(g) -66.33 -69.22 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.60 -1.72 4.88 S + Sulfur -6.67 -1.78 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -61988,7 +61659,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.082e-13 Surface + diffuse layer charge, eq + -1.049e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -61998,7 +61669,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -62045,18 +61716,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.005 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.996 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.001e-09 + Electrical balance (eq) = 1.737e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -62070,8 +61741,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.335e-12 - CH4 1.335e-12 1.452e-12 -11.874 -11.838 0.036 35.46 +C(-4) 1.127e-12 + CH4 1.127e-12 1.225e-12 -11.948 -11.912 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -62095,8 +61766,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.821e-12 - H2 4.411e-12 4.795e-12 -11.356 -11.319 0.036 28.61 +H(0) 8.455e-12 + H2 4.227e-12 4.596e-12 -11.374 -11.338 0.036 28.61 Hto 4.852e-07 Hto 4.852e-07 4.852e-07 -6.314 -6.314 0.000 (0) I 5.988e-07 @@ -62116,16 +61787,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.092e-07 Nat+ 3.092e-07 3.092e-07 -6.510 -6.510 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.787 -69.750 0.036 30.40 -S(-2) 2.093e-09 - HS- 1.463e-09 9.634e-10 -8.835 -9.016 -0.182 21.14 - H2S 6.297e-10 6.847e-10 -9.201 -9.165 0.036 36.27 - S-2 5.939e-15 1.432e-15 -14.226 -14.844 -0.618 (0) - (H2S)2 2.272e-20 2.470e-20 -19.644 -19.607 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.750 -69.714 0.036 30.40 +S(-2) 1.767e-09 + HS- 1.235e-09 8.131e-10 -8.908 -9.090 -0.182 21.14 + H2S 5.315e-10 5.779e-10 -9.274 -9.238 0.036 36.27 + S-2 5.013e-15 1.208e-15 -14.300 -14.918 -0.618 (0) + (H2S)2 1.618e-20 1.760e-20 -19.791 -19.755 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -62134,7 +61804,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -62152,21 +61822,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.04 -11.84 -2.80 CH4 + CH4(g) -9.11 -11.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.22 -11.32 -3.10 H2 + H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.17 -16.11 -7.94 H2S + H2S(g) -8.24 -16.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.86 -69.75 -2.89 O2 + O2(g) -66.82 -69.71 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.88 -1.00 4.88 S + Sulfur -5.93 -1.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -62190,7 +61860,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -8.997e-11 Surface + diffuse layer charge, eq + -8.980e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -62200,7 +61870,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -62209,14 +61879,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6650e-10 H 1.2948e-04 Hto 1.9152e-08 I 2.0901e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3298e-08 + Nat 4.3297e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -62240,25 +61910,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.368e-08 8.680e-09 + Nat 7.367e-08 8.680e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.112 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.108 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.870e-09 + Electrical balance (eq) = 5.254e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -62270,20 +61940,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.477e-12 - CH4 9.477e-12 1.030e-11 -11.023 -10.987 0.036 35.46 +C(-4) 8.831e-12 + CH4 8.831e-12 9.601e-12 -11.054 -11.018 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -62291,14 +61961,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.440e-11 - H2 7.200e-12 7.828e-12 -11.143 -11.106 0.036 28.61 +H(0) 1.415e-11 + H2 7.074e-12 7.691e-12 -11.150 -11.114 0.036 28.61 Hto 1.623e-07 Hto 1.623e-07 1.623e-07 -6.790 -6.790 0.000 (0) I 1.774e-07 @@ -62312,22 +61982,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) + MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.897e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 7.368e-08 - Nat+ 7.368e-08 7.368e-08 -7.133 -7.133 -0.000 (0) +Nat 7.367e-08 + Nat+ 7.367e-08 7.367e-08 -7.133 -7.133 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.212 -70.176 0.036 30.40 -S(-2) 1.486e-08 - HS- 1.039e-08 6.838e-09 -7.984 -8.165 -0.182 21.14 - H2S 4.468e-09 4.858e-09 -8.350 -8.314 0.036 36.27 - S-2 4.217e-14 1.016e-14 -13.375 -13.993 -0.618 (0) - (H2S)2 1.144e-18 1.244e-18 -17.942 -17.905 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.197 -70.161 0.036 30.40 +S(-2) 1.384e-08 + HS- 9.679e-09 6.372e-09 -8.014 -8.196 -0.182 21.14 + H2S 4.163e-09 4.527e-09 -8.381 -8.344 0.036 36.27 + S-2 3.929e-14 9.471e-15 -13.406 -14.024 -0.618 (0) + (H2S)2 9.931e-19 1.080e-18 -18.003 -17.967 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -62336,14 +62005,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.564e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -62354,21 +62023,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.19 -10.99 -2.80 CH4 + CH4(g) -8.22 -11.02 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.32 -15.26 -7.94 H2S + H2S(g) -7.35 -15.29 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.28 -70.18 -2.89 O2 + O2(g) -67.27 -70.16 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.24 -0.36 4.88 S + Sulfur -5.26 -0.38 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -62392,7 +62061,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.025e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -62402,7 +62071,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -62411,14 +62080,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6645e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 4.2488e-09 + Hto 4.2487e-09 I 4.0300e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2252e-09 + Nat 6.2248e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -62449,18 +62118,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.123 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.125 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.919e-10 + Electrical balance (eq) = 6.419e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -62472,10 +62141,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.161e-11 - CH4 1.161e-11 1.262e-11 -10.935 -10.899 0.036 35.46 +C(-4) 1.205e-11 + CH4 1.205e-11 1.310e-11 -10.919 -10.883 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -62483,9 +62152,9 @@ C(4) 2.744e-03 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 @@ -62498,9 +62167,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.515e-11 - H2 7.574e-12 8.235e-12 -11.121 -11.084 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.529e-11 + H2 7.645e-12 8.312e-12 -11.117 -11.080 0.036 28.61 Hto 3.601e-08 Hto 3.601e-08 3.601e-08 -7.444 -7.444 0.000 (0) I 3.420e-08 @@ -62520,16 +62189,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.059e-08 Nat+ 1.059e-08 1.059e-08 -7.975 -7.975 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.256 -70.220 0.036 30.40 -S(-2) 1.820e-08 - HS- 1.272e-08 8.377e-09 -7.895 -8.077 -0.182 21.14 - H2S 5.473e-09 5.950e-09 -8.262 -8.225 0.036 36.27 - S-2 5.166e-14 1.245e-14 -13.287 -13.905 -0.618 (0) - (H2S)2 1.716e-18 1.866e-18 -17.765 -17.729 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.265 -70.228 0.036 30.40 +S(-2) 1.889e-08 + HS- 1.321e-08 8.694e-09 -7.879 -8.061 -0.182 21.14 + H2S 5.680e-09 6.176e-09 -8.246 -8.209 0.036 36.27 + S-2 5.362e-14 1.292e-14 -13.271 -13.889 -0.618 (0) + (H2S)2 1.849e-18 2.010e-18 -17.733 -17.697 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -62538,12 +62206,12 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) @@ -62556,21 +62224,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.10 -10.90 -2.80 CH4 + CH4(g) -8.08 -10.88 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.23 -15.17 -7.94 H2S + H2S(g) -7.21 -15.15 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.33 -70.22 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.17 -0.29 4.88 S + Sulfur -5.16 -0.28 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -62594,7 +62262,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.005e-11 Surface + diffuse layer charge, eq + -9.029e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -62604,7 +62272,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -62613,14 +62281,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 6.6857e-10 - I 5.4563e-22 + Hto 6.6854e-10 + I 5.4573e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.0885e-10 + Nat 6.0880e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -62644,25 +62312,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.036e-09 1.221e-10 + Nat 1.036e-09 1.220e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.861e-10 + Electrical balance (eq) = 6.408e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -62676,33 +62344,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.218e-11 - CH4 1.218e-11 1.324e-11 -10.914 -10.878 0.036 35.46 +C(-4) 1.308e-11 + CH4 1.308e-11 1.422e-11 -10.883 -10.847 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.533e-11 - H2 7.666e-12 8.335e-12 -11.115 -11.079 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.561e-11 + H2 7.804e-12 8.485e-12 -11.108 -11.071 0.036 28.61 Hto 5.666e-09 Hto 5.666e-09 5.666e-09 -8.247 -8.247 0.000 (0) I 4.631e-09 @@ -62716,22 +62384,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.036e-09 Nat+ 1.036e-09 1.036e-09 -8.985 -8.985 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.267 -70.231 0.036 30.40 -S(-2) 1.909e-08 - HS- 1.335e-08 8.789e-09 -7.874 -8.056 -0.182 21.14 - H2S 5.743e-09 6.244e-09 -8.241 -8.205 0.036 36.27 - S-2 5.421e-14 1.307e-14 -13.266 -13.884 -0.618 (0) - (H2S)2 1.889e-18 2.054e-18 -17.724 -17.687 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.282 -70.246 0.036 30.40 +S(-2) 2.050e-08 + HS- 1.434e-08 9.439e-09 -7.844 -8.025 -0.182 21.14 + H2S 6.167e-09 6.705e-09 -8.210 -8.174 0.036 36.27 + S-2 5.821e-14 1.403e-14 -13.235 -13.853 -0.618 (0) + (H2S)2 2.179e-18 2.369e-18 -17.662 -17.625 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -62740,14 +62407,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -62758,21 +62425,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.08 -10.88 -2.80 CH4 + CH4(g) -8.05 -10.85 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.15 -7.94 H2S + H2S(g) -7.18 -15.12 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.35 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.16 -0.28 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -62796,7 +62463,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -8.995e-11 Surface + diffuse layer charge, eq + -9.023e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -62806,7 +62473,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -62815,14 +62482,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 7.7720e-11 + Hto 7.7715e-11 I 5.4277e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3037e-11 + Nat 4.3032e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -62841,30 +62508,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.586e-10 7.760e-11 + Hto 6.586e-10 7.759e-11 I 4.607e-10 5.428e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.323e-11 8.627e-12 + Nat 7.322e-11 8.626e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.858e-10 + Electrical balance (eq) = 6.411e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -62878,33 +62545,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.229e-11 - CH4 1.229e-11 1.336e-11 -10.910 -10.874 0.036 35.46 +C(-4) 1.327e-11 + CH4 1.327e-11 1.443e-11 -10.877 -10.841 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.683e-12 8.354e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.566e-11 + H2 7.832e-12 8.515e-12 -11.106 -11.070 0.036 28.61 Hto 6.586e-10 Hto 6.586e-10 6.586e-10 -9.181 -9.181 0.000 (0) I 4.607e-10 @@ -62918,22 +62585,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.323e-11 - Nat+ 7.323e-11 7.323e-11 -10.135 -10.135 -0.000 (0) +Nat 7.322e-11 + Nat+ 7.322e-11 7.322e-11 -10.135 -10.135 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.927e-08 - HS- 1.347e-08 8.869e-09 -7.871 -8.052 -0.182 21.14 - H2S 5.794e-09 6.300e-09 -8.237 -8.201 0.036 36.27 - S-2 5.470e-14 1.318e-14 -13.262 -13.880 -0.618 (0) - (H2S)2 1.924e-18 2.091e-18 -17.716 -17.680 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.285 -70.249 0.036 30.40 +S(-2) 2.080e-08 + HS- 1.454e-08 9.574e-09 -7.837 -8.019 -0.182 21.14 + H2S 6.255e-09 6.801e-09 -8.204 -8.167 0.036 36.27 + S-2 5.905e-14 1.423e-14 -13.229 -13.847 -0.618 (0) + (H2S)2 2.242e-18 2.437e-18 -17.649 -17.613 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -62942,14 +62608,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -62960,21 +62626,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -62998,7 +62664,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -63008,7 +62674,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -63017,14 +62683,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 6.8367e-12 - I 4.0721e-24 + Hto 6.8361e-12 + I 4.0713e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2723e-12 + Nat 2.2720e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -63043,30 +62709,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.794e-11 6.826e-12 + Hto 5.793e-11 6.825e-12 I 3.456e-11 4.071e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.867e-12 4.555e-13 + Nat 3.866e-12 4.555e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.863e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -63080,35 +62746,35 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.230e-11 - CH4 1.230e-11 1.337e-11 -10.910 -10.874 0.036 35.46 +C(-4) 1.328e-11 + CH4 1.328e-11 1.444e-11 -10.877 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.684e-12 8.354e-12 -11.114 -11.078 0.036 28.61 -Hto 5.794e-11 - Hto 5.794e-11 5.794e-11 -10.237 -10.237 0.000 (0) + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.834e-12 8.517e-12 -11.106 -11.070 0.036 28.61 +Hto 5.793e-11 + Hto 5.793e-11 5.793e-11 -10.237 -10.237 0.000 (0) I 3.456e-11 I- 3.456e-11 3.456e-11 -10.461 -10.461 -0.000 (0) K 1.540e-03 @@ -63120,22 +62786,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.867e-12 - Nat+ 3.867e-12 3.867e-12 -11.413 -11.413 -0.000 (0) +Nat 3.866e-12 + Nat+ 3.866e-12 3.866e-12 -11.413 -11.413 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.927e-08 - HS- 1.348e-08 8.872e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.797e-09 6.302e-09 -8.237 -8.201 0.036 36.27 - S-2 5.472e-14 1.319e-14 -13.262 -13.880 -0.618 (0) - (H2S)2 1.925e-18 2.093e-18 -17.716 -17.679 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.249 0.036 30.40 +S(-2) 2.082e-08 + HS- 1.456e-08 9.583e-09 -7.837 -8.019 -0.182 21.14 + H2S 6.261e-09 6.807e-09 -8.203 -8.167 0.036 36.27 + S-2 5.910e-14 1.425e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.246e-18 2.442e-18 -17.649 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -63144,14 +62809,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -63162,21 +62827,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -63200,7 +62865,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -8.991e-11 Surface + diffuse layer charge, eq + -9.020e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -63210,7 +62875,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -63219,14 +62884,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 4.6072e-13 - I 2.3345e-25 + Hto 4.6067e-13 + I 2.3350e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1159e-14 + Nat 9.1144e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -63245,7 +62910,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.904e-12 4.600e-13 + Hto 3.904e-12 4.599e-13 I 1.981e-12 2.334e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -63257,18 +62922,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.861e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -63282,33 +62947,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.216e-11 - CH4 1.216e-11 1.323e-11 -10.915 -10.879 0.036 35.46 +C(-4) 1.315e-11 + CH4 1.315e-11 1.430e-11 -10.881 -10.845 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.533e-11 - H2 7.663e-12 8.332e-12 -11.116 -11.079 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.563e-11 + H2 7.814e-12 8.496e-12 -11.107 -11.071 0.036 28.61 Hto 3.904e-12 Hto 3.904e-12 3.904e-12 -11.408 -11.408 0.000 (0) I 1.981e-12 @@ -63322,22 +62987,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.551e-13 Nat+ 1.551e-13 1.551e-13 -12.809 -12.809 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.267 -70.230 0.036 30.40 -S(-2) 1.907e-08 - HS- 1.333e-08 8.777e-09 -7.875 -8.057 -0.182 21.14 - H2S 5.734e-09 6.235e-09 -8.242 -8.205 0.036 36.27 - S-2 5.413e-14 1.305e-14 -13.267 -13.884 -0.618 (0) - (H2S)2 1.884e-18 2.048e-18 -17.725 -17.689 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.284 -70.247 0.036 30.40 +S(-2) 2.061e-08 + HS- 1.441e-08 9.488e-09 -7.841 -8.023 -0.182 21.14 + H2S 6.199e-09 6.739e-09 -8.208 -8.171 0.036 36.27 + S-2 5.852e-14 1.411e-14 -13.233 -13.851 -0.618 (0) + (H2S)2 2.201e-18 2.393e-18 -17.657 -17.621 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -63346,14 +63010,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -63364,21 +63028,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.08 -10.88 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.15 -7.94 H2S + H2S(g) -7.18 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.35 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.16 -0.28 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -63402,7 +63066,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -8.975e-11 Surface + diffuse layer charge, eq + -9.003e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -63412,7 +63076,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -63421,14 +63085,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6645e-10 + Cl 4.6643e-10 H 1.2948e-04 - Hto 2.3857e-14 + Hto 2.3854e-14 I 1.0268e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.7944e-15 + Nat 2.7939e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -63452,25 +63116,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.755e-15 5.602e-16 + Nat 4.754e-15 5.601e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.127 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.499e-09 + Electrical balance (eq) = 1.153e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -63482,20 +63146,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.147e-11 - CH4 1.147e-11 1.247e-11 -10.940 -10.904 0.036 35.46 +C(-4) 1.246e-11 + CH4 1.246e-11 1.354e-11 -10.905 -10.868 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 @@ -63503,14 +63167,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.510e-11 - H2 7.552e-12 8.210e-12 -11.122 -11.086 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.542e-11 + H2 7.709e-12 8.381e-12 -11.113 -11.077 0.036 28.61 Hto 2.022e-13 Hto 2.022e-13 2.022e-13 -12.694 -12.694 0.000 (0) I 8.715e-14 @@ -63530,16 +63194,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 4.755e-15 - Nat+ 4.755e-15 4.755e-15 -14.323 -14.323 -0.000 (0) +Nat 4.754e-15 + Nat+ 4.754e-15 4.754e-15 -14.323 -14.323 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.254 -70.217 0.036 30.40 -S(-2) 1.798e-08 - HS- 1.257e-08 8.276e-09 -7.901 -8.082 -0.182 21.14 - H2S 5.407e-09 5.879e-09 -8.267 -8.231 0.036 36.27 - S-2 5.104e-14 1.230e-14 -13.292 -13.910 -0.618 (0) - (H2S)2 1.675e-18 1.821e-18 -17.776 -17.740 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.272 -70.235 0.036 30.40 +S(-2) 1.952e-08 + HS- 1.365e-08 8.987e-09 -7.865 -8.046 -0.182 21.14 + H2S 5.871e-09 6.384e-09 -8.231 -8.195 0.036 36.27 + S-2 5.542e-14 1.336e-14 -13.256 -13.874 -0.618 (0) + (H2S)2 1.975e-18 2.147e-18 -17.704 -17.668 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -63548,12 +63211,12 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) @@ -63566,21 +63229,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.10 -10.90 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.17 -7.94 H2S + H2S(g) -7.20 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.33 -70.22 -2.89 O2 + O2(g) -67.34 -70.24 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.15 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -63604,7 +63267,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.966e-11 Surface + diffuse layer charge, eq + -8.994e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -63614,7 +63277,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -63623,14 +63286,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 9.4355e-16 - I 3.4458e-28 + Hto 9.4342e-16 + I 3.4449e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.5170e-17 + Nat 6.5155e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -63649,7 +63312,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.996e-15 9.420e-16 + Hto 7.995e-15 9.419e-16 I 2.925e-15 3.445e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -63661,18 +63324,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.547e-09 + Electrical balance (eq) = 1.202e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -63684,37 +63347,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.131e-11 - CH4 1.131e-11 1.229e-11 -10.947 -10.910 0.036 35.46 +C(-4) 1.229e-11 + CH4 1.229e-11 1.336e-11 -10.910 -10.874 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.505e-11 - H2 7.524e-12 8.181e-12 -11.124 -11.087 0.036 28.61 -Hto 7.996e-15 - Hto 7.996e-15 7.996e-15 -14.097 -14.097 0.000 (0) + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.537e-11 + H2 7.683e-12 8.353e-12 -11.114 -11.078 0.036 28.61 +Hto 7.995e-15 + Hto 7.995e-15 7.995e-15 -14.097 -14.097 0.000 (0) I 2.925e-15 I- 2.925e-15 2.925e-15 -14.534 -14.534 -0.000 (0) K 1.540e-03 @@ -63732,16 +63395,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.109e-16 Nat+ 1.109e-16 1.109e-16 -15.955 -15.955 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.251 -70.214 0.036 30.40 -S(-2) 1.772e-08 - HS- 1.239e-08 8.157e-09 -7.907 -8.088 -0.182 21.14 - H2S 5.330e-09 5.795e-09 -8.273 -8.237 0.036 36.27 - S-2 5.031e-14 1.213e-14 -13.298 -13.916 -0.618 (0) - (H2S)2 1.627e-18 1.769e-18 -17.788 -17.752 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 +S(-2) 1.926e-08 + HS- 1.347e-08 8.868e-09 -7.871 -8.052 -0.182 21.14 + H2S 5.794e-09 6.299e-09 -8.237 -8.201 0.036 36.27 + S-2 5.469e-14 1.318e-14 -13.262 -13.880 -0.618 (0) + (H2S)2 1.923e-18 2.091e-18 -17.716 -17.680 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -63750,13 +63412,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -63768,21 +63430,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.15 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -63806,7 +63468,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.965e-11 Surface + diffuse layer charge, eq + -8.993e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -63816,7 +63478,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -63825,14 +63487,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 2.8039e-17 + Hto 2.8034e-17 I 8.6806e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1386e-18 + Nat 1.1383e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -63856,25 +63518,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.938e-18 2.283e-19 + Nat 1.937e-18 2.282e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.091e-09 + Electrical balance (eq) = 7.460e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -63886,35 +63548,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.227e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.227e-11 + CH4 1.227e-11 1.335e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.522e-12 8.178e-12 -11.124 -11.087 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 Hto 2.376e-16 Hto 2.376e-16 2.376e-16 -15.624 -15.624 0.000 (0) I 7.367e-17 @@ -63934,16 +63596,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 1.938e-18 - Nat+ 1.938e-18 1.938e-18 -17.713 -17.713 -0.000 (0) +Nat 1.937e-18 + Nat+ 1.937e-18 1.937e-18 -17.713 -17.713 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.769e-08 - HS- 1.237e-08 8.145e-09 -7.908 -8.089 -0.182 21.14 - H2S 5.322e-09 5.786e-09 -8.274 -8.238 0.036 36.27 - S-2 5.023e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.623e-18 1.764e-18 -17.790 -17.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.856e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.786e-09 6.291e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.085e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -63952,13 +63613,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -63970,21 +63631,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -64008,7 +63669,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.964e-11 Surface + diffuse layer charge, eq + -8.992e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -64018,7 +63679,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -64027,14 +63688,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 6.0677e-19 + Hto 6.0666e-19 I 1.5913e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4456e-20 + Nat 1.4452e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -64053,30 +63714,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.142e-18 6.058e-19 + Hto 5.141e-18 6.057e-19 I 1.351e-18 1.591e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.460e-20 2.898e-21 + Nat 2.459e-20 2.897e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.122 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.076e-09 + Electrical balance (eq) = 7.316e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -64088,37 +63749,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.129e-11 - CH4 1.129e-11 1.228e-11 -10.947 -10.911 0.036 35.46 +C(-4) 1.228e-11 + CH4 1.228e-11 1.335e-11 -10.911 -10.875 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.504e-11 - H2 7.522e-12 8.178e-12 -11.124 -11.087 0.036 28.61 -Hto 5.142e-18 - Hto 5.142e-18 5.142e-18 -17.289 -17.289 0.000 (0) + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.536e-11 + H2 7.681e-12 8.351e-12 -11.115 -11.078 0.036 28.61 +Hto 5.141e-18 + Hto 5.141e-18 5.141e-18 -17.289 -17.289 0.000 (0) I 1.351e-18 I- 1.351e-18 1.351e-18 -17.869 -17.869 -0.000 (0) K 1.540e-03 @@ -64136,16 +63797,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.460e-20 - Nat+ 2.460e-20 2.460e-20 -19.609 -19.609 -0.000 (0) +Nat 2.459e-20 + Nat+ 2.459e-20 2.459e-20 -19.609 -19.609 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.250 -70.214 0.036 30.40 -S(-2) 1.770e-08 - HS- 1.237e-08 8.146e-09 -7.907 -8.089 -0.182 21.14 - H2S 5.323e-09 5.787e-09 -8.274 -8.238 0.036 36.27 - S-2 5.024e-14 1.211e-14 -13.299 -13.917 -0.618 (0) - (H2S)2 1.623e-18 1.765e-18 -17.790 -17.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.269 -70.232 0.036 30.40 +S(-2) 1.924e-08 + HS- 1.345e-08 8.857e-09 -7.871 -8.053 -0.182 21.14 + H2S 5.787e-09 6.292e-09 -8.238 -8.201 0.036 36.27 + S-2 5.462e-14 1.317e-14 -13.263 -13.881 -0.618 (0) + (H2S)2 1.918e-18 2.086e-18 -17.717 -17.681 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -64154,13 +63814,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -64172,21 +63832,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.87 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.15 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -64210,7 +63870,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.966e-11 Surface + diffuse layer charge, eq + -8.994e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -64220,23 +63880,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6644e-10 H 1.2948e-04 - Hto 9.0365e-21 + Hto 9.0348e-21 I 2.0064e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2609e-22 + Nat 1.2605e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -64255,30 +63915,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.658e-20 9.022e-21 + Hto 7.657e-20 9.020e-21 I 1.703e-20 2.006e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.146e-22 2.528e-23 + Nat 2.145e-22 2.527e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.121 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.569e-09 + Electrical balance (eq) = 2.224e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -64290,37 +63950,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.124e-11 - CH4 1.124e-11 1.222e-11 -10.949 -10.913 0.036 35.46 +C(-4) 1.223e-11 + CH4 1.223e-11 1.329e-11 -10.913 -10.876 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.503e-11 - H2 7.514e-12 8.169e-12 -11.124 -11.088 0.036 28.61 -Hto 7.658e-20 - Hto 7.658e-20 7.658e-20 -19.116 -19.116 0.000 (0) + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.535e-11 + H2 7.673e-12 8.343e-12 -11.115 -11.079 0.036 28.61 +Hto 7.657e-20 + Hto 7.657e-20 7.657e-20 -19.116 -19.116 0.000 (0) I 1.703e-20 I- 1.703e-20 1.703e-20 -19.769 -19.769 -0.000 (0) K 1.540e-03 @@ -64338,16 +63998,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.146e-22 - Nat+ 2.146e-22 2.146e-22 -21.668 -21.668 -0.000 (0) +Nat 2.145e-22 + Nat+ 2.145e-22 2.145e-22 -21.669 -21.669 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.249 -70.213 0.036 30.40 -S(-2) 1.762e-08 - HS- 1.232e-08 8.111e-09 -7.909 -8.091 -0.182 21.14 - H2S 5.299e-09 5.762e-09 -8.276 -8.239 0.036 36.27 - S-2 5.002e-14 1.206e-14 -13.301 -13.919 -0.618 (0) - (H2S)2 1.609e-18 1.749e-18 -17.793 -17.757 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.268 -70.231 0.036 30.40 +S(-2) 1.916e-08 + HS- 1.340e-08 8.822e-09 -7.873 -8.054 -0.182 21.14 + H2S 5.764e-09 6.266e-09 -8.239 -8.203 0.036 36.27 + S-2 5.441e-14 1.311e-14 -13.264 -13.882 -0.618 (0) + (H2S)2 1.903e-18 2.069e-18 -17.721 -17.684 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -64356,13 +64015,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -64374,21 +64033,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.11 -10.91 -2.80 CH4 + CH4(g) -8.07 -10.88 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.99 -11.09 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.24 -15.18 -7.94 H2S + H2S(g) -7.21 -15.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.18 -0.30 4.88 S + Sulfur -5.16 -0.27 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -64412,7 +64071,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -8.985e-11 Surface + diffuse layer charge, eq + -9.013e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -64422,7 +64081,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -64431,14 +64090,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 8.2883e-23 + Hto 8.2866e-23 I 1.5575e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2790e-25 + Nat 6.2769e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -64457,30 +64116,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.024e-22 8.275e-23 + Hto 7.023e-22 8.273e-23 I 1.322e-22 1.557e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.068e-24 1.259e-25 + Nat 1.068e-24 1.258e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.862e-10 + Electrical balance (eq) = 6.413e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -64494,35 +64153,35 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.356e-12 -11.114 -11.078 0.036 28.61 -Hto 7.024e-22 - Hto 7.024e-22 7.024e-22 -21.153 -21.153 0.000 (0) + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 +Hto 7.023e-22 + Hto 7.023e-22 7.023e-22 -21.154 -21.154 0.000 (0) I 1.322e-22 I- 1.322e-22 1.322e-22 -21.879 -21.879 -0.000 (0) K 1.540e-03 @@ -64534,22 +64193,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.068e-24 Nat+ 1.068e-24 1.068e-24 -23.971 -23.971 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.881e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -64558,14 +64216,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -64576,21 +64234,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -64614,7 +64272,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -64624,7 +64282,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -64633,9 +64291,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 3.5317e-25 + Hto 3.5309e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -64657,7 +64315,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.993e-24 3.526e-25 + Hto 2.992e-24 3.525e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -64667,18 +64325,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.863e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -64692,35 +64350,35 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.356e-12 -11.114 -11.078 0.036 28.61 -Hto 2.993e-24 - Hto 2.993e-24 2.993e-24 -23.524 -23.524 0.000 (0) + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 +Hto 2.992e-24 + Hto 2.992e-24 2.992e-24 -23.524 -23.524 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -64730,20 +64388,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.880e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -64752,14 +64409,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -64770,21 +64427,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -64808,7 +64465,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -64818,7 +64475,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -64827,7 +64484,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -64859,18 +64516,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.861e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -64884,33 +64541,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.356e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -64920,20 +64577,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.881e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -64942,14 +64598,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -64960,21 +64616,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -64998,7 +64654,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -65008,7 +64664,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -65017,7 +64673,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -65049,18 +64705,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.860e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -65074,33 +64730,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.357e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -65110,20 +64766,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.881e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -65132,14 +64787,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -65150,21 +64805,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -65188,7 +64843,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -65198,7 +64853,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -65207,7 +64862,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -65239,18 +64894,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.864e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -65264,33 +64919,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.356e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -65300,20 +64955,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.880e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -65322,14 +64976,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -65340,21 +64994,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -65378,7 +65032,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -65388,7 +65042,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -65397,7 +65051,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -65429,18 +65083,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.862e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -65454,33 +65108,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.356e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -65490,20 +65144,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.880e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -65512,14 +65165,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -65530,21 +65183,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -65568,7 +65221,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -65578,7 +65231,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -65587,7 +65240,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -65619,18 +65272,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.863e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -65644,33 +65297,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.356e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -65680,20 +65333,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.881e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -65702,14 +65354,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -65720,21 +65372,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -65758,7 +65410,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -65768,7 +65420,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -65777,7 +65429,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -65809,18 +65461,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.860e-10 + Electrical balance (eq) = 6.412e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -65834,33 +65486,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.357e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -65870,20 +65522,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.881e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.803e-09 6.309e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -65892,14 +65543,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -65910,21 +65561,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -65954,18 +65605,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -65979,8 +65630,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -66004,8 +65655,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -66025,16 +65676,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -66061,21 +65711,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -66103,18 +65753,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -66128,8 +65778,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -66153,8 +65803,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -66174,16 +65824,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -66210,21 +65859,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -66261,18 +65910,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.897 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.887 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -66286,8 +65935,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.828e-13 - CH4 1.828e-13 1.988e-13 -12.738 -12.702 0.036 35.46 +C(-4) 1.497e-13 + CH4 1.497e-13 1.627e-13 -12.825 -12.789 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -66311,8 +65960,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 5.366e-12 - H2 2.683e-12 2.917e-12 -11.571 -11.535 0.036 28.61 +H(0) 5.104e-12 + H2 2.552e-12 2.775e-12 -11.593 -11.557 0.036 28.61 Hto 6.651e-07 Hto 6.651e-07 6.651e-07 -6.177 -6.177 0.000 (0) I 8.018e-07 @@ -66332,16 +65981,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.310e-07 Nat+ 4.310e-07 4.310e-07 -6.365 -6.365 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.355 -69.319 0.036 30.40 -S(-2) 2.866e-10 - HS- 2.004e-10 1.319e-10 -9.698 -9.880 -0.182 21.14 - H2S 8.622e-11 9.374e-11 -10.064 -10.028 0.036 36.27 - S-2 8.131e-16 1.960e-16 -15.090 -15.708 -0.618 (0) - (H2S)2 4.259e-22 4.631e-22 -21.371 -21.334 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.312 -69.275 0.036 30.40 +S(-2) 2.346e-10 + HS- 1.640e-10 1.080e-10 -9.785 -9.967 -0.182 21.14 + H2S 7.059e-11 7.675e-11 -10.151 -10.115 0.036 36.27 + S-2 6.657e-16 1.605e-16 -15.177 -15.795 -0.618 (0) + (H2S)2 2.855e-22 3.104e-22 -21.544 -21.508 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -66368,21 +66016,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.90 -12.70 -2.80 CH4 + CH4(g) -9.99 -12.79 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.43 -11.54 -3.10 H2 + H2(g) -8.46 -11.56 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -9.03 -16.97 -7.94 H2S + H2S(g) -9.12 -17.06 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.43 -69.32 -2.89 O2 + O2(g) -66.38 -69.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.52 -1.64 4.88 S + Sulfur -6.59 -1.71 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -66406,7 +66054,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.131e-13 Surface + diffuse layer charge, eq + -1.095e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -66416,7 +66064,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -66428,7 +66076,7 @@ Su Cl 4.6664e-10 H 1.2947e-04 Hto 5.7607e-08 - I 7.1283e-20 + I 7.1296e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -66463,18 +66111,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.014 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.006 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.997e-09 + Electrical balance (eq) = 1.734e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -66488,8 +66136,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.563e-12 - CH4 1.563e-12 1.699e-12 -11.806 -11.770 0.036 35.46 +C(-4) 1.348e-12 + CH4 1.348e-12 1.465e-12 -11.870 -11.834 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -66513,8 +66161,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.175e-12 - H2 4.587e-12 4.988e-12 -11.338 -11.302 0.036 28.61 +H(0) 8.842e-12 + H2 4.421e-12 4.807e-12 -11.354 -11.318 0.036 28.61 Hto 4.882e-07 Hto 4.882e-07 4.882e-07 -6.311 -6.311 0.000 (0) I 6.051e-07 @@ -66534,16 +66182,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.102e-07 Nat+ 3.102e-07 3.102e-07 -6.508 -6.508 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.821 -69.785 0.036 30.40 -S(-2) 2.450e-09 - HS- 1.713e-09 1.127e-09 -8.766 -8.948 -0.182 21.14 - H2S 7.370e-10 8.012e-10 -9.133 -9.096 0.036 36.27 - S-2 6.951e-15 1.675e-15 -14.158 -14.776 -0.618 (0) - (H2S)2 3.111e-20 3.383e-20 -19.507 -19.471 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.789 -69.752 0.036 30.40 +S(-2) 2.113e-09 + HS- 1.477e-09 9.726e-10 -8.831 -9.012 -0.182 21.14 + H2S 6.357e-10 6.912e-10 -9.197 -9.160 0.036 36.27 + S-2 5.996e-15 1.445e-15 -14.222 -14.840 -0.618 (0) + (H2S)2 2.315e-20 2.517e-20 -19.635 -19.599 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -66570,21 +66217,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.97 -11.77 -2.80 CH4 + CH4(g) -9.03 -11.83 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.20 -11.30 -3.10 H2 + H2(g) -8.22 -11.32 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.10 -16.04 -7.94 H2S + H2S(g) -8.17 -16.10 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.89 -69.78 -2.89 O2 + O2(g) -66.86 -69.75 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.83 -0.94 4.88 S + Sulfur -5.87 -0.99 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -66608,7 +66255,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.019e-11 Surface + diffuse layer charge, eq + -9.003e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -66618,7 +66265,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -66627,14 +66274,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6647e-10 + Cl 4.6648e-10 H 1.2948e-04 Hto 2.0389e-08 I 2.2403e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6585e-08 + Nat 4.6584e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -66665,18 +66312,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.113 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.780e-09 + Electrical balance (eq) = 5.165e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -66690,19 +66337,19 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.027e-11 - CH4 1.027e-11 1.117e-11 -10.988 -10.952 0.036 35.46 +C(-4) 9.695e-12 + CH4 9.695e-12 1.054e-11 -11.013 -10.977 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 @@ -66710,13 +66357,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.469e-11 - H2 7.346e-12 7.987e-12 -11.134 -11.098 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.448e-11 + H2 7.241e-12 7.872e-12 -11.140 -11.104 0.036 28.61 Hto 1.728e-07 Hto 1.728e-07 1.728e-07 -6.762 -6.762 0.000 (0) I 1.901e-07 @@ -66724,7 +66371,7 @@ I 1.901e-07 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -66735,17 +66382,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 Nat 7.927e-08 Nat+ 7.927e-08 7.927e-08 -7.101 -7.101 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.230 -70.194 0.036 30.40 -S(-2) 1.610e-08 - HS- 1.126e-08 7.413e-09 -7.948 -8.130 -0.182 21.14 - H2S 4.843e-09 5.266e-09 -8.315 -8.279 0.036 36.27 - S-2 4.571e-14 1.102e-14 -13.340 -13.958 -0.618 (0) - (H2S)2 1.344e-18 1.461e-18 -17.872 -17.835 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.217 -70.181 0.036 30.40 +S(-2) 1.520e-08 + HS- 1.063e-08 6.995e-09 -7.974 -8.155 -0.182 21.14 + H2S 4.571e-09 4.970e-09 -8.340 -8.304 0.036 36.27 + S-2 4.314e-14 1.040e-14 -13.365 -13.983 -0.618 (0) + (H2S)2 1.197e-18 1.301e-18 -17.922 -17.886 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -66772,21 +66418,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.15 -10.95 -2.80 CH4 + CH4(g) -8.18 -10.98 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.28 -15.22 -7.94 H2S + H2S(g) -7.31 -15.25 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.19 -2.89 O2 + O2(g) -67.29 -70.18 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.21 -0.33 4.88 S + Sulfur -5.23 -0.35 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -66810,7 +66456,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.052e-11 Surface + diffuse layer charge, eq + -9.056e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -66820,7 +66466,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -66829,14 +66475,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6643e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 4.8524e-09 + Hto 4.8523e-09 I 4.6421e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.2458e-09 + Nat 7.2454e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -66855,30 +66501,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.112e-08 4.845e-09 + Hto 4.112e-08 4.844e-09 I 3.940e-08 4.642e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.233e-08 1.453e-09 + Nat 1.233e-08 1.452e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.127 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.129 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.017e-10 + Electrical balance (eq) = 5.517e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -66892,8 +66538,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.256e-11 - CH4 1.256e-11 1.366e-11 -10.901 -10.865 0.036 35.46 +C(-4) 1.297e-11 + CH4 1.297e-11 1.410e-11 -10.887 -10.851 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -66917,8 +66563,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.545e-11 - H2 7.725e-12 8.399e-12 -11.112 -11.076 0.036 28.61 +H(0) 1.558e-11 + H2 7.788e-12 8.467e-12 -11.109 -11.072 0.036 28.61 Hto 4.112e-08 Hto 4.112e-08 4.112e-08 -7.386 -7.386 0.000 (0) I 3.940e-08 @@ -66938,16 +66584,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.233e-08 Nat+ 1.233e-08 1.233e-08 -7.909 -7.909 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.274 -70.237 0.036 30.40 -S(-2) 1.969e-08 - HS- 1.377e-08 9.062e-09 -7.861 -8.043 -0.182 21.14 - H2S 5.921e-09 6.437e-09 -8.228 -8.191 0.036 36.27 - S-2 5.589e-14 1.347e-14 -13.253 -13.871 -0.618 (0) - (H2S)2 2.008e-18 2.184e-18 -17.697 -17.661 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.281 -70.244 0.036 30.40 +S(-2) 2.033e-08 + HS- 1.422e-08 9.360e-09 -7.847 -8.029 -0.182 21.14 + H2S 6.115e-09 6.648e-09 -8.214 -8.177 0.036 36.27 + S-2 5.773e-14 1.391e-14 -13.239 -13.857 -0.618 (0) + (H2S)2 2.142e-18 2.329e-18 -17.669 -17.633 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -66974,21 +66619,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.06 -10.86 -2.80 CH4 + CH4(g) -8.05 -10.85 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.20 -15.13 -7.94 H2S + H2S(g) -7.18 -15.12 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.24 -2.89 O2 + O2(g) -67.35 -70.24 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.14 -0.26 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -67012,7 +66657,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.035e-11 Surface + diffuse layer charge, eq + -9.060e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -67022,7 +66667,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -67031,14 +66676,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 8.2793e-10 + Hto 8.2789e-10 I 6.8273e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.7272e-10 + Nat 7.7266e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -67069,18 +66714,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.130 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.133 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.961e-10 + Electrical balance (eq) = 5.505e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -67091,36 +66736,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.318e-11 - CH4 1.318e-11 1.433e-11 -10.880 -10.844 0.036 35.46 +C(-4) 1.406e-11 + CH4 1.406e-11 1.529e-11 -10.852 -10.816 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.564e-11 - H2 7.819e-12 8.501e-12 -11.107 -11.071 0.036 28.61 +H(0) 1.589e-11 + H2 7.947e-12 8.640e-12 -11.100 -11.063 0.036 28.61 Hto 7.016e-09 Hto 7.016e-09 7.016e-09 -8.154 -8.154 0.000 (0) I 5.794e-09 @@ -67140,16 +66785,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.315e-09 Nat+ 1.315e-09 1.315e-09 -8.881 -8.881 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.284 -70.248 0.036 30.40 -S(-2) 2.066e-08 - HS- 1.445e-08 9.510e-09 -7.840 -8.022 -0.182 21.14 - H2S 6.213e-09 6.755e-09 -8.207 -8.170 0.036 36.27 - S-2 5.866e-14 1.414e-14 -13.232 -13.850 -0.618 (0) - (H2S)2 2.212e-18 2.405e-18 -17.655 -17.619 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.298 -70.262 0.036 30.40 +S(-2) 2.204e-08 + HS- 1.541e-08 1.015e-08 -7.812 -7.994 -0.182 21.14 + H2S 6.629e-09 7.208e-09 -8.179 -8.142 0.036 36.27 + S-2 6.259e-14 1.509e-14 -13.204 -13.821 -0.618 (0) + (H2S)2 2.518e-18 2.738e-18 -17.599 -17.563 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -67164,7 +66808,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -67176,21 +66820,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.82 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.18 -15.11 -7.94 H2S + H2S(g) -7.15 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.26 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.11 -0.23 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -67214,7 +66858,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.025e-11 Surface + diffuse layer charge, eq + -9.053e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -67224,7 +66868,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -67233,14 +66877,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 1.0544e-10 - I 7.4485e-23 + Hto 1.0543e-10 + I 7.4498e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.0073e-11 + Nat 6.0066e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -67271,18 +66915,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.130 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.959e-10 + Electrical balance (eq) = 5.508e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -67293,36 +66937,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.331e-11 - CH4 1.331e-11 1.447e-11 -10.876 -10.840 0.036 35.46 +C(-4) 1.428e-11 + CH4 1.428e-11 1.553e-11 -10.845 -10.809 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.567e-11 - H2 7.837e-12 8.521e-12 -11.106 -11.070 0.036 28.61 +H(0) 1.595e-11 + H2 7.977e-12 8.673e-12 -11.098 -11.062 0.036 28.61 Hto 8.935e-10 Hto 8.935e-10 8.935e-10 -9.049 -9.049 0.000 (0) I 6.322e-10 @@ -67342,16 +66986,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.022e-10 - Nat+ 1.022e-10 1.022e-10 -9.990 -9.990 -0.000 (0) + Nat+ 1.022e-10 1.022e-10 -9.991 -9.991 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.086e-08 - HS- 1.458e-08 9.601e-09 -7.836 -8.018 -0.182 21.14 - H2S 6.273e-09 6.820e-09 -8.203 -8.166 0.036 36.27 - S-2 5.922e-14 1.427e-14 -13.228 -13.845 -0.618 (0) - (H2S)2 2.254e-18 2.451e-18 -17.647 -17.611 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.301 -70.265 0.036 30.40 +S(-2) 2.238e-08 + HS- 1.565e-08 1.030e-08 -7.805 -7.987 -0.182 21.14 + H2S 6.732e-09 7.319e-09 -8.172 -8.136 0.036 36.27 + S-2 6.356e-14 1.532e-14 -13.197 -13.815 -0.618 (0) + (H2S)2 2.596e-18 2.823e-18 -17.586 -17.549 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -67366,7 +67009,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -67378,21 +67021,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.11 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -67416,7 +67059,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -67426,7 +67069,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -67435,14 +67078,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 Hto 1.0275e-11 - I 6.1950e-24 + I 6.1966e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5242e-12 + Nat 3.5237e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -67461,30 +67104,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.708e-11 1.026e-11 + Hto 8.707e-11 1.026e-11 I 5.258e-11 6.195e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.997e-12 7.065e-13 + Nat 5.996e-12 7.064e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.130 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.963e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -67495,38 +67138,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.331e-11 - CH4 1.331e-11 1.447e-11 -10.876 -10.839 0.036 35.46 +C(-4) 1.430e-11 + CH4 1.430e-11 1.554e-11 -10.845 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.838e-12 8.522e-12 -11.106 -11.069 0.036 28.61 -Hto 8.708e-11 - Hto 8.708e-11 8.708e-11 -10.060 -10.060 0.000 (0) +H(0) 1.596e-11 + H2 7.979e-12 8.675e-12 -11.098 -11.062 0.036 28.61 +Hto 8.707e-11 + Hto 8.707e-11 8.707e-11 -10.060 -10.060 0.000 (0) I 5.258e-11 I- 5.258e-11 5.258e-11 -10.279 -10.279 -0.000 (0) K 1.540e-03 @@ -67544,16 +67187,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.997e-12 - Nat+ 5.997e-12 5.997e-12 -11.222 -11.222 -0.000 (0) +Nat 5.996e-12 + Nat+ 5.996e-12 5.996e-12 -11.222 -11.222 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.086e-08 - HS- 1.459e-08 9.604e-09 -7.836 -8.018 -0.182 21.14 - H2S 6.274e-09 6.822e-09 -8.202 -8.166 0.036 36.27 - S-2 5.923e-14 1.428e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.255e-18 2.452e-18 -17.647 -17.610 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.265 0.036 30.40 +S(-2) 2.241e-08 + HS- 1.567e-08 1.031e-08 -7.805 -7.987 -0.182 21.14 + H2S 6.738e-09 7.326e-09 -8.171 -8.135 0.036 36.27 + S-2 6.362e-14 1.533e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.601e-18 2.828e-18 -17.585 -17.548 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -67568,7 +67210,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -67580,21 +67222,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.11 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -67618,7 +67260,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.020e-11 Surface + diffuse layer charge, eq + -9.048e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -67628,7 +67270,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -67637,14 +67279,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 7.7732e-13 + Hto 7.7724e-13 I 3.9905e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5906e-13 + Nat 1.5903e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -67663,30 +67305,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.587e-12 7.761e-13 + Hto 6.587e-12 7.760e-13 I 3.387e-12 3.990e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.707e-13 3.189e-14 + Nat 2.706e-13 3.188e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.130 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.962e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -67697,36 +67339,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.316e-11 - CH4 1.316e-11 1.431e-11 -10.881 -10.844 0.036 35.46 +C(-4) 1.415e-11 + CH4 1.415e-11 1.538e-11 -10.849 -10.813 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.563e-11 - H2 7.816e-12 8.497e-12 -11.107 -11.071 0.036 28.61 +H(0) 1.592e-11 + H2 7.958e-12 8.652e-12 -11.099 -11.063 0.036 28.61 Hto 6.587e-12 Hto 6.587e-12 6.587e-12 -11.181 -11.181 0.000 (0) I 3.387e-12 @@ -67746,16 +67388,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.707e-13 - Nat+ 2.707e-13 2.707e-13 -12.568 -12.568 -0.000 (0) +Nat 2.706e-13 + Nat+ 2.706e-13 2.706e-13 -12.568 -12.568 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.284 -70.247 0.036 30.40 -S(-2) 2.063e-08 - HS- 1.442e-08 9.495e-09 -7.841 -8.023 -0.182 21.14 - H2S 6.203e-09 6.744e-09 -8.207 -8.171 0.036 36.27 - S-2 5.856e-14 1.412e-14 -13.232 -13.850 -0.618 (0) - (H2S)2 2.205e-18 2.397e-18 -17.657 -17.620 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.299 -70.263 0.036 30.40 +S(-2) 2.217e-08 + HS- 1.550e-08 1.021e-08 -7.810 -7.991 -0.182 21.14 + H2S 6.667e-09 7.249e-09 -8.176 -8.140 0.036 36.27 + S-2 6.295e-14 1.517e-14 -13.201 -13.819 -0.618 (0) + (H2S)2 2.547e-18 2.769e-18 -17.594 -17.558 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -67770,7 +67411,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -67782,21 +67423,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.18 -15.11 -7.94 H2S + H2S(g) -7.15 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.35 -70.25 -2.89 O2 + O2(g) -67.37 -70.26 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.11 -0.23 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -67820,7 +67461,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.004e-11 Surface + diffuse layer charge, eq + -9.032e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -67830,7 +67471,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -67839,14 +67480,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6643e-10 + Cl 4.6641e-10 H 1.2948e-04 - Hto 4.5923e-14 + Hto 4.5918e-14 I 2.0037e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.5729e-15 + Nat 5.5718e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -67865,30 +67506,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.892e-13 4.585e-14 + Hto 3.891e-13 4.584e-14 I 1.701e-13 2.003e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.483e-15 1.117e-15 + Nat 9.481e-15 1.117e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.127 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.131 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.410e-09 + Electrical balance (eq) = 1.063e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -67899,38 +67540,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.251e-11 - CH4 1.251e-11 1.360e-11 -10.903 -10.866 0.036 35.46 +C(-4) 1.350e-11 + CH4 1.350e-11 1.468e-11 -10.870 -10.833 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.544e-11 - H2 7.718e-12 8.391e-12 -11.113 -11.076 0.036 28.61 -Hto 3.892e-13 - Hto 3.892e-13 3.892e-13 -12.410 -12.410 0.000 (0) + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.573e-11 + H2 7.866e-12 8.552e-12 -11.104 -11.068 0.036 28.61 +Hto 3.891e-13 + Hto 3.891e-13 3.891e-13 -12.410 -12.410 0.000 (0) I 1.701e-13 I- 1.701e-13 1.701e-13 -12.769 -12.769 -0.000 (0) K 1.540e-03 @@ -67942,22 +67583,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 9.483e-15 - Nat+ 9.483e-15 9.483e-15 -14.023 -14.023 -0.000 (0) +Nat 9.481e-15 + Nat+ 9.481e-15 9.481e-15 -14.023 -14.023 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.273 -70.236 0.036 30.40 -S(-2) 1.961e-08 - HS- 1.371e-08 9.028e-09 -7.863 -8.044 -0.182 21.14 - H2S 5.899e-09 6.413e-09 -8.229 -8.193 0.036 36.27 - S-2 5.568e-14 1.342e-14 -13.254 -13.872 -0.618 (0) - (H2S)2 1.993e-18 2.167e-18 -17.700 -17.664 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.289 -70.253 0.036 30.40 +S(-2) 2.116e-08 + HS- 1.479e-08 9.739e-09 -7.830 -8.011 -0.182 21.14 + H2S 6.363e-09 6.918e-09 -8.196 -8.160 0.036 36.27 + S-2 6.007e-14 1.448e-14 -13.221 -13.839 -0.618 (0) + (H2S)2 2.320e-18 2.522e-18 -17.635 -17.598 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -67966,14 +67606,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -67984,21 +67624,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.06 -10.87 -2.80 CH4 + CH4(g) -8.03 -10.83 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.20 -15.13 -7.94 H2S + H2S(g) -7.17 -15.10 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.24 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.12 -0.24 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -68022,7 +67662,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -8.995e-11 Surface + diffuse layer charge, eq + -9.023e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -68032,7 +67672,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -68041,14 +67681,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 2.1162e-15 + Hto 2.1159e-15 I 7.8373e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5164e-16 + Nat 1.5161e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -68067,30 +67707,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.793e-14 2.113e-15 + Hto 1.793e-14 2.112e-15 I 6.652e-15 7.836e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.580e-16 3.040e-17 + Nat 2.580e-16 3.039e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.131 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.457e-09 + Electrical balance (eq) = 1.112e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -68104,33 +67744,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.233e-11 - CH4 1.233e-11 1.341e-11 -10.909 -10.873 0.036 35.46 +C(-4) 1.332e-11 + CH4 1.332e-11 1.448e-11 -10.876 -10.839 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.538e-11 - H2 7.690e-12 8.360e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.568e-11 + H2 7.839e-12 8.523e-12 -11.106 -11.069 0.036 28.61 Hto 1.793e-14 Hto 1.793e-14 1.793e-14 -13.746 -13.746 0.000 (0) I 6.652e-15 @@ -68144,22 +67784,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.580e-16 Nat+ 2.580e-16 2.580e-16 -15.588 -15.588 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.270 -70.233 0.036 30.40 -S(-2) 1.933e-08 - HS- 1.352e-08 8.898e-09 -7.869 -8.051 -0.182 21.14 - H2S 5.813e-09 6.320e-09 -8.236 -8.199 0.036 36.27 - S-2 5.487e-14 1.323e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.936e-18 2.105e-18 -17.713 -17.677 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.087e-08 + HS- 1.460e-08 9.608e-09 -7.836 -8.017 -0.182 21.14 + H2S 6.277e-09 6.825e-09 -8.202 -8.166 0.036 36.27 + S-2 5.926e-14 1.429e-14 -13.227 -13.845 -0.618 (0) + (H2S)2 2.258e-18 2.455e-18 -17.646 -17.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -68168,14 +67807,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -68186,21 +67825,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.20 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -68224,7 +67863,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -68234,7 +67873,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -68243,14 +67882,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 7.5380e-17 + Hto 7.5369e-17 I 2.3675e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.1797e-18 + Nat 3.1789e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -68269,30 +67908,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.388e-16 7.526e-17 + Hto 6.387e-16 7.525e-17 I 2.009e-16 2.367e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.411e-18 6.374e-19 + Nat 5.409e-18 6.373e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.001e-09 + Electrical balance (eq) = 6.560e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -68306,35 +67945,35 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.330e-11 + CH4 1.330e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.357e-12 -11.114 -11.078 0.036 28.61 -Hto 6.388e-16 - Hto 6.388e-16 6.388e-16 -15.195 -15.195 0.000 (0) + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.836e-12 8.519e-12 -11.106 -11.070 0.036 28.61 +Hto 6.387e-16 + Hto 6.387e-16 6.387e-16 -15.195 -15.195 0.000 (0) I 2.009e-16 I- 2.009e-16 2.009e-16 -15.697 -15.697 -0.000 (0) K 1.540e-03 @@ -68346,22 +67985,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.411e-18 - Nat+ 5.411e-18 5.411e-18 -17.267 -17.267 -0.000 (0) +Nat 5.409e-18 + Nat+ 5.409e-18 5.409e-18 -17.267 -17.267 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.881e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.803e-09 6.309e-09 -8.236 -8.200 0.036 36.27 - S-2 5.478e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.592e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.267e-09 6.814e-09 -8.203 -8.167 0.036 36.27 + S-2 5.916e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.611 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -68370,14 +68008,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -68388,21 +68026,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -68426,7 +68064,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -8.993e-11 Surface + diffuse layer charge, eq + -9.021e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -68436,7 +68074,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -68445,14 +68083,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 2.0372e-18 - I 5.4205e-31 + Hto 2.0369e-18 + I 5.4225e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.0466e-20 + Nat 5.0452e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -68476,25 +68114,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.587e-20 1.012e-20 + Nat 8.585e-20 1.011e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.867e-10 + Electrical balance (eq) = 6.417e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -68508,33 +68146,33 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.329e-11 + CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.356e-12 -11.114 -11.078 0.036 28.61 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 Hto 1.726e-17 Hto 1.726e-17 1.726e-17 -16.763 -16.763 0.000 (0) I 4.602e-18 @@ -68548,22 +68186,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 8.587e-20 - Nat+ 8.587e-20 8.587e-20 -19.066 -19.066 -0.000 (0) +Nat 8.585e-20 + Nat+ 8.585e-20 8.585e-20 -19.066 -19.066 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.929e-08 - HS- 1.349e-08 8.880e-09 -7.870 -8.052 -0.182 21.14 - H2S 5.802e-09 6.308e-09 -8.236 -8.200 0.036 36.27 - S-2 5.477e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.097e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.591e-09 -7.837 -8.018 -0.182 21.14 + H2S 6.266e-09 6.813e-09 -8.203 -8.167 0.036 36.27 + S-2 5.915e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.446e-18 -17.648 -17.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -68572,14 +68209,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -68590,21 +68227,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -68628,7 +68265,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -8.996e-11 Surface + diffuse layer charge, eq + -9.024e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -68638,7 +68275,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -68647,14 +68284,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6642e-10 H 1.2948e-04 - Hto 4.0423e-20 - I 9.1121e-33 + Hto 4.0415e-20 + I 9.1090e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.8696e-22 + Nat 5.8678e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -68673,30 +68310,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.426e-19 4.036e-20 + Hto 3.425e-19 4.035e-20 I 7.733e-20 9.111e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.988e-22 1.177e-22 + Nat 9.985e-22 1.176e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.126 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.130 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.479e-09 + Electrical balance (eq) = 2.134e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -68710,35 +68347,35 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.231e-11 - CH4 1.231e-11 1.338e-11 -10.910 -10.873 0.036 35.46 +C(-4) 1.330e-11 + CH4 1.330e-11 1.446e-11 -10.876 -10.840 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.537e-11 - H2 7.686e-12 8.357e-12 -11.114 -11.078 0.036 28.61 -Hto 3.426e-19 - Hto 3.426e-19 3.426e-19 -18.465 -18.465 0.000 (0) + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.567e-11 + H2 7.836e-12 8.519e-12 -11.106 -11.070 0.036 28.61 +Hto 3.425e-19 + Hto 3.425e-19 3.425e-19 -18.465 -18.465 0.000 (0) I 7.733e-20 I- 7.733e-20 7.733e-20 -19.112 -19.112 -0.000 (0) K 1.540e-03 @@ -68750,22 +68387,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 9.988e-22 - Nat+ 9.988e-22 9.988e-22 -21.001 -21.001 -0.000 (0) +Nat 9.985e-22 + Nat+ 9.985e-22 9.985e-22 -21.001 -21.001 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.269 -70.233 0.036 30.40 -S(-2) 1.930e-08 - HS- 1.349e-08 8.882e-09 -7.870 -8.051 -0.182 21.14 - H2S 5.803e-09 6.309e-09 -8.236 -8.200 0.036 36.27 - S-2 5.478e-14 1.320e-14 -13.261 -13.879 -0.618 (0) - (H2S)2 1.929e-18 2.098e-18 -17.715 -17.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 +S(-2) 2.084e-08 + HS- 1.457e-08 9.593e-09 -7.836 -8.018 -0.182 21.14 + H2S 6.267e-09 6.814e-09 -8.203 -8.167 0.036 36.27 + S-2 5.917e-14 1.426e-14 -13.228 -13.846 -0.618 (0) + (H2S)2 2.250e-18 2.447e-18 -17.648 -17.611 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -68774,14 +68410,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -68792,21 +68428,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.07 -10.87 -2.80 CH4 + CH4(g) -8.04 -10.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.21 -15.14 -7.94 H2S + H2S(g) -7.17 -15.11 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.23 -2.89 O2 + O2(g) -67.36 -70.25 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.13 -0.25 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -68830,7 +68466,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.013e-11 Surface + diffuse layer charge, eq + -9.042e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -68840,7 +68476,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -68849,14 +68485,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 5.5578e-22 + Hto 5.5567e-22 I 1.0605e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6782e-24 + Nat 4.6766e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -68875,30 +68511,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.710e-21 5.549e-22 + Hto 4.709e-21 5.548e-22 I 9.001e-22 1.060e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.960e-24 9.378e-25 + Nat 7.958e-24 9.375e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.130 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.964e-10 + Electrical balance (eq) = 5.511e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -68909,38 +68545,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.328e-11 - CH4 1.328e-11 1.444e-11 -10.877 -10.840 0.036 35.46 +C(-4) 1.427e-11 + CH4 1.427e-11 1.551e-11 -10.846 -10.809 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.567e-11 - H2 7.834e-12 8.517e-12 -11.106 -11.070 0.036 28.61 -Hto 4.710e-21 - Hto 4.710e-21 4.710e-21 -20.327 -20.327 0.000 (0) +H(0) 1.595e-11 + H2 7.975e-12 8.671e-12 -11.098 -11.062 0.036 28.61 +Hto 4.709e-21 + Hto 4.709e-21 4.709e-21 -20.327 -20.327 0.000 (0) I 9.001e-22 I- 9.001e-22 9.001e-22 -21.046 -21.046 -0.000 (0) K 1.540e-03 @@ -68958,16 +68594,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.960e-24 - Nat+ 7.960e-24 7.960e-24 -23.099 -23.099 -0.000 (0) +Nat 7.958e-24 + Nat+ 7.958e-24 7.958e-24 -23.099 -23.099 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.249 0.036 30.40 -S(-2) 2.082e-08 - HS- 1.456e-08 9.582e-09 -7.837 -8.019 -0.182 21.14 - H2S 6.260e-09 6.806e-09 -8.203 -8.167 0.036 36.27 - S-2 5.910e-14 1.425e-14 -13.228 -13.846 -0.618 (0) - (H2S)2 2.245e-18 2.441e-18 -17.649 -17.612 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.301 -70.265 0.036 30.40 +S(-2) 2.236e-08 + HS- 1.564e-08 1.029e-08 -7.806 -7.987 -0.182 21.14 + H2S 6.725e-09 7.311e-09 -8.172 -8.136 0.036 36.27 + S-2 6.349e-14 1.530e-14 -13.197 -13.815 -0.618 (0) + (H2S)2 2.591e-18 2.817e-18 -17.587 -17.550 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -68982,7 +68617,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -68994,21 +68629,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.26 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.11 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -69032,7 +68667,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.021e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -69042,7 +68677,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -69051,10 +68686,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 4.7338e-24 - I 7.1347e-37 + Hto 4.7328e-24 + I 7.1338e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -69076,7 +68711,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.012e-23 4.726e-24 + Hto 4.011e-23 4.725e-24 I 6.055e-24 7.133e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -69087,18 +68722,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.964e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -69109,38 +68744,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.841e-12 8.524e-12 -11.106 -11.069 0.036 28.61 -Hto 4.012e-23 - Hto 4.012e-23 4.012e-23 -22.397 -22.397 0.000 (0) +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 +Hto 4.011e-23 + Hto 4.011e-23 4.011e-23 -22.397 -22.397 0.000 (0) I 6.055e-24 I- 6.055e-24 6.055e-24 -23.218 -23.218 -0.000 (0) K 1.540e-03 @@ -69158,14 +68793,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.616e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.283e-09 6.831e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.261e-18 2.459e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -69180,7 +68814,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -69192,21 +68826,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -69230,7 +68864,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -69240,7 +68874,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -69249,7 +68883,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -69281,18 +68915,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.962e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -69303,36 +68937,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.841e-12 8.525e-12 -11.106 -11.069 0.036 28.61 +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -69348,14 +68982,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.616e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.283e-09 6.831e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.261e-18 2.459e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -69370,7 +69003,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -69382,21 +69015,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -69420,7 +69053,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -69430,7 +69063,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -69439,7 +69072,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -69471,18 +69104,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.961e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -69493,36 +69126,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.841e-12 8.525e-12 -11.106 -11.069 0.036 28.61 +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -69538,14 +69171,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.617e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.283e-09 6.831e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.261e-18 2.459e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -69560,7 +69192,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -69572,21 +69204,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -69610,7 +69242,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -69620,7 +69252,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -69629,7 +69261,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -69661,18 +69293,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.964e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -69683,36 +69315,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.840e-12 8.524e-12 -11.106 -11.069 0.036 28.61 +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -69728,14 +69360,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.616e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.282e-09 6.830e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.261e-18 2.458e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -69750,7 +69381,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -69762,21 +69393,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -69800,7 +69431,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -69810,7 +69441,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -69819,7 +69450,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -69851,18 +69482,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.963e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -69873,36 +69504,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.840e-12 8.524e-12 -11.106 -11.069 0.036 28.61 +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -69918,14 +69549,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.616e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.282e-09 6.830e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.261e-18 2.458e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -69940,7 +69570,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -69952,21 +69582,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -69990,7 +69620,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -70000,7 +69630,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -70009,7 +69639,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -70041,18 +69671,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.963e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -70063,36 +69693,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.841e-12 8.524e-12 -11.106 -11.069 0.036 28.61 +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -70108,14 +69738,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.616e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.283e-09 6.831e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.261e-18 2.459e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -70130,7 +69759,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -70142,21 +69771,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -70180,7 +69809,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -70190,7 +69819,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -70199,7 +69828,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -70231,18 +69860,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.960e-10 + Electrical balance (eq) = 5.510e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -70253,36 +69882,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.841e-12 8.525e-12 -11.106 -11.069 0.036 28.61 +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -70298,14 +69927,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.617e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.283e-09 6.831e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.262e-18 2.459e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -70320,7 +69948,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -70332,21 +69960,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -70376,18 +70004,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -70401,8 +70029,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -70426,8 +70054,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -70447,16 +70075,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -70483,21 +70110,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -70525,18 +70152,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -70550,8 +70177,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -70575,8 +70202,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -70596,16 +70223,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -70632,21 +70258,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -70683,18 +70309,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.909 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.899 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -70708,8 +70334,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.252e-13 - CH4 2.252e-13 2.449e-13 -12.647 -12.611 0.036 35.46 +C(-4) 1.865e-13 + CH4 1.865e-13 2.028e-13 -12.729 -12.693 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -70733,8 +70359,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 5.653e-12 - H2 2.827e-12 3.073e-12 -11.549 -11.512 0.036 28.61 +H(0) 5.393e-12 + H2 2.696e-12 2.932e-12 -11.569 -11.533 0.036 28.61 Hto 6.562e-07 Hto 6.562e-07 6.562e-07 -6.183 -6.183 0.000 (0) I 7.962e-07 @@ -70754,16 +70380,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.200e-07 Nat+ 4.200e-07 4.200e-07 -6.377 -6.377 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.400 -69.364 0.036 30.40 -S(-2) 3.531e-10 - HS- 2.469e-10 1.625e-10 -9.608 -9.789 -0.182 21.14 - H2S 1.062e-10 1.155e-10 -9.974 -9.937 0.036 36.27 - S-2 1.002e-15 2.415e-16 -14.999 -15.617 -0.618 (0) - (H2S)2 6.465e-22 7.029e-22 -21.189 -21.153 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.359 -69.323 0.036 30.40 +S(-2) 2.924e-10 + HS- 2.044e-10 1.346e-10 -9.689 -9.871 -0.182 21.14 + H2S 8.797e-11 9.564e-11 -10.056 -10.019 0.036 36.27 + S-2 8.296e-16 2.000e-16 -15.081 -15.699 -0.618 (0) + (H2S)2 4.433e-22 4.820e-22 -21.353 -21.317 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -70790,21 +70415,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.81 -12.61 -2.80 CH4 + CH4(g) -9.89 -12.69 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.41 -11.51 -3.10 H2 + H2(g) -8.43 -11.53 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.94 -16.88 -7.94 H2S + H2S(g) -9.02 -16.96 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.47 -69.36 -2.89 O2 + O2(g) -66.43 -69.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.46 -1.58 4.88 S + Sulfur -6.52 -1.64 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -70828,7 +70453,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.168e-13 Surface + diffuse layer charge, eq + -1.129e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -70838,7 +70463,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -70847,7 +70472,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6663e-10 + Cl 4.6664e-10 H 1.2947e-04 Hto 5.7849e-08 I 7.1865e-20 @@ -70885,18 +70510,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.022 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.015 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.992e-09 + Electrical balance (eq) = 1.730e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -70910,8 +70535,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.802e-12 - CH4 1.802e-12 1.959e-12 -11.744 -11.708 0.036 35.46 +C(-4) 1.584e-12 + CH4 1.584e-12 1.722e-12 -11.800 -11.764 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -70921,7 +70546,7 @@ C(4) 2.744e-03 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 @@ -70935,8 +70560,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.507e-12 - H2 4.754e-12 5.168e-12 -11.323 -11.287 0.036 28.61 +H(0) 9.206e-12 + H2 4.603e-12 5.004e-12 -11.337 -11.301 0.036 28.61 Hto 4.902e-07 Hto 4.902e-07 4.902e-07 -6.310 -6.310 0.000 (0) I 6.101e-07 @@ -70956,16 +70581,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.106e-07 Nat+ 3.106e-07 3.106e-07 -6.508 -6.508 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.852 -69.815 0.036 30.40 -S(-2) 2.824e-09 - HS- 1.975e-09 1.300e-09 -8.705 -8.886 -0.182 21.14 - H2S 8.497e-10 9.238e-10 -9.071 -9.034 0.036 36.27 - S-2 8.014e-15 1.932e-15 -14.096 -14.714 -0.618 (0) - (H2S)2 4.136e-20 4.497e-20 -19.383 -19.347 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.824 -69.787 0.036 30.40 +S(-2) 2.483e-09 + HS- 1.736e-09 1.143e-09 -8.761 -8.942 -0.182 21.14 + H2S 7.469e-10 8.120e-10 -9.127 -9.090 0.036 36.27 + S-2 7.044e-15 1.698e-15 -14.152 -14.770 -0.618 (0) + (H2S)2 3.196e-20 3.475e-20 -19.495 -19.459 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -70992,21 +70616,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.91 -11.71 -2.80 CH4 + CH4(g) -8.96 -11.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.19 -11.29 -3.10 H2 + H2(g) -8.20 -11.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.04 -15.98 -7.94 H2S + H2S(g) -8.10 -16.03 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.92 -69.82 -2.89 O2 + O2(g) -66.90 -69.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.78 -0.90 4.88 S + Sulfur -5.82 -0.94 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -71030,7 +70654,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.040e-11 Surface + diffuse layer charge, eq + -9.025e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -71040,7 +70664,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -71049,14 +70673,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6646e-10 + Cl 4.6647e-10 H 1.2948e-04 Hto 2.1545e-08 - I 2.3826e-20 + I 2.3829e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9713e-08 + Nat 4.9711e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -71080,25 +70704,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.459e-08 9.966e-09 + Nat 8.459e-08 9.965e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.120 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.118 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.690e-09 + Electrical balance (eq) = 5.075e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -71112,12 +70736,12 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.105e-11 - CH4 1.105e-11 1.202e-11 -10.957 -10.920 0.036 35.46 +C(-4) 1.053e-11 + CH4 1.053e-11 1.145e-11 -10.977 -10.941 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 @@ -71126,7 +70750,7 @@ C(4) 2.744e-03 CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -71137,8 +70761,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.496e-11 - H2 7.482e-12 8.134e-12 -11.126 -11.090 0.036 28.61 +H(0) 1.478e-11 + H2 7.392e-12 8.037e-12 -11.131 -11.095 0.036 28.61 Hto 1.826e-07 Hto 1.826e-07 1.826e-07 -6.739 -6.739 0.000 (0) I 2.022e-07 @@ -71153,21 +70777,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 Nat 8.459e-08 Nat+ 8.459e-08 8.459e-08 -7.073 -7.073 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.246 -70.209 0.036 30.40 -S(-2) 1.732e-08 - HS- 1.211e-08 7.974e-09 -7.917 -8.098 -0.182 21.14 - H2S 5.210e-09 5.665e-09 -8.283 -8.247 0.036 36.27 - S-2 4.918e-14 1.185e-14 -13.308 -13.926 -0.618 (0) - (H2S)2 1.555e-18 1.691e-18 -17.808 -17.772 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.235 -70.199 0.036 30.40 +S(-2) 1.651e-08 + HS- 1.154e-08 7.600e-09 -7.938 -8.119 -0.182 21.14 + H2S 4.966e-09 5.399e-09 -8.304 -8.268 0.036 36.27 + S-2 4.687e-14 1.130e-14 -13.329 -13.947 -0.618 (0) + (H2S)2 1.413e-18 1.536e-18 -17.850 -17.814 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -71194,21 +70817,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.12 -10.92 -2.80 CH4 + CH4(g) -8.14 -10.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.25 -15.19 -7.94 H2S + H2S(g) -7.27 -15.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.32 -70.21 -2.89 O2 + O2(g) -67.31 -70.20 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.19 -0.31 4.88 S + Sulfur -5.20 -0.32 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -71232,7 +70855,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.083e-11 Surface + diffuse layer charge, eq + -9.086e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -71242,7 +70865,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -71253,12 +70876,12 @@ Su Ca 7.1884e-02 Cl 4.6641e-10 H 1.2948e-04 - Hto 5.4661e-09 + Hto 5.4659e-09 I 5.2741e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.3122e-09 + Nat 8.3118e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -71289,18 +70912,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.133 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.112e-10 + Electrical balance (eq) = 4.611e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -71314,33 +70937,33 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.351e-11 - CH4 1.351e-11 1.468e-11 -10.869 -10.833 0.036 35.46 +C(-4) 1.390e-11 + CH4 1.390e-11 1.511e-11 -10.857 -10.821 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.573e-11 - H2 7.867e-12 8.553e-12 -11.104 -11.068 0.036 28.61 +H(0) 1.585e-11 + H2 7.923e-12 8.614e-12 -11.101 -11.065 0.036 28.61 Hto 4.632e-08 Hto 4.632e-08 4.632e-08 -7.334 -7.334 0.000 (0) I 4.477e-08 @@ -71360,16 +70983,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.414e-08 Nat+ 1.414e-08 1.414e-08 -7.849 -7.849 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.289 -70.253 0.036 30.40 -S(-2) 2.117e-08 - HS- 1.480e-08 9.745e-09 -7.830 -8.011 -0.182 21.14 - H2S 6.366e-09 6.922e-09 -8.196 -8.160 0.036 36.27 - S-2 6.010e-14 1.449e-14 -13.221 -13.839 -0.618 (0) - (H2S)2 2.322e-18 2.525e-18 -17.634 -17.598 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.295 -70.259 0.036 30.40 +S(-2) 2.178e-08 + HS- 1.523e-08 1.003e-08 -7.817 -7.999 -0.182 21.14 + H2S 6.550e-09 7.121e-09 -8.184 -8.147 0.036 36.27 + S-2 6.184e-14 1.491e-14 -13.209 -13.827 -0.618 (0) + (H2S)2 2.458e-18 2.672e-18 -17.609 -17.573 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -71384,7 +71006,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -71396,21 +71018,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.03 -10.83 -2.80 CH4 + CH4(g) -8.02 -10.82 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.10 -7.94 H2S + H2S(g) -7.15 -15.09 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.26 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.12 -0.24 4.88 S + Sulfur -5.11 -0.23 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -71434,7 +71056,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.066e-11 Surface + diffuse layer charge, eq + -9.090e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -71444,7 +71066,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -71453,14 +71075,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6639e-10 H 1.2948e-04 - Hto 1.0040e-09 + Hto 1.0039e-09 I 8.3618e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.5962e-10 + Nat 9.5954e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -71491,18 +71113,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.134 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.137 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.057e-10 + Electrical balance (eq) = 4.599e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -71516,33 +71138,33 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.418e-11 - CH4 1.418e-11 1.542e-11 -10.848 -10.812 0.036 35.46 +C(-4) 1.505e-11 + CH4 1.505e-11 1.636e-11 -10.823 -10.786 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.593e-11 - H2 7.963e-12 8.657e-12 -11.099 -11.063 0.036 28.61 +H(0) 1.616e-11 + H2 8.082e-12 8.787e-12 -11.092 -11.056 0.036 28.61 Hto 8.508e-09 Hto 8.508e-09 8.508e-09 -8.070 -8.070 0.000 (0) I 7.097e-09 @@ -71562,16 +71184,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.633e-09 Nat+ 1.633e-09 1.633e-09 -8.787 -8.787 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.300 -70.264 0.036 30.40 -S(-2) 2.222e-08 - HS- 1.554e-08 1.023e-08 -7.809 -7.990 -0.182 21.14 - H2S 6.684e-09 7.267e-09 -8.175 -8.139 0.036 36.27 - S-2 6.310e-14 1.521e-14 -13.200 -13.818 -0.618 (0) - (H2S)2 2.559e-18 2.782e-18 -17.592 -17.556 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.313 -70.276 0.036 30.40 +S(-2) 2.358e-08 + HS- 1.649e-08 1.086e-08 -7.783 -7.964 -0.182 21.14 + H2S 7.092e-09 7.710e-09 -8.149 -8.113 0.036 36.27 + S-2 6.696e-14 1.614e-14 -13.174 -13.792 -0.618 (0) + (H2S)2 2.881e-18 3.133e-18 -17.540 -17.504 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -71580,13 +71201,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -71598,21 +71219,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.79 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.12 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.26 -2.89 O2 + O2(g) -67.38 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.11 -0.23 4.88 S + Sulfur -5.09 -0.21 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -71636,7 +71257,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.054e-11 Surface + diffuse layer charge, eq + -9.082e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -71646,7 +71267,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -71655,14 +71276,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 1.3888e-10 - I 9.9210e-23 + Hto 1.3887e-10 + I 9.9223e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.1360e-11 + Nat 8.1351e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -71681,7 +71302,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.177e-09 1.387e-10 + Hto 1.177e-09 1.386e-10 I 8.421e-10 9.920e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -71693,18 +71314,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.134 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.056e-10 + Electrical balance (eq) = 4.603e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -71716,35 +71337,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.432e-11 - CH4 1.432e-11 1.557e-11 -10.844 -10.808 0.036 35.46 +C(-4) 1.529e-11 + CH4 1.529e-11 1.663e-11 -10.816 -10.779 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.983e-12 8.679e-12 -11.098 -11.062 0.036 28.61 +H(0) 1.623e-11 + H2 8.115e-12 8.823e-12 -11.091 -11.054 0.036 28.61 Hto 1.177e-09 Hto 1.177e-09 1.177e-09 -8.929 -8.929 0.000 (0) I 8.421e-10 @@ -71764,16 +71385,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.384e-10 Nat+ 1.384e-10 1.384e-10 -9.859 -9.859 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.245e-08 - HS- 1.570e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 - H2S 6.751e-09 7.339e-09 -8.171 -8.134 0.036 36.27 - S-2 6.373e-14 1.536e-14 -13.196 -13.814 -0.618 (0) - (H2S)2 2.611e-18 2.839e-18 -17.583 -17.547 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.316 -70.280 0.036 30.40 +S(-2) 2.397e-08 + HS- 1.676e-08 1.103e-08 -7.776 -7.957 -0.182 21.14 + H2S 7.208e-09 7.837e-09 -8.142 -8.106 0.036 36.27 + S-2 6.806e-14 1.641e-14 -13.167 -13.785 -0.618 (0) + (H2S)2 2.977e-18 3.236e-18 -17.526 -17.490 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -71782,13 +71402,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -71800,21 +71420,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -71838,7 +71458,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.051e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -71848,7 +71468,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -71857,14 +71477,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 1.4842e-11 - I 9.0570e-24 + Hto 1.4841e-11 + I 9.0602e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.2497e-12 + Nat 5.2490e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -71888,25 +71508,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.933e-12 1.052e-12 + Nat 8.932e-12 1.052e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.134 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.061e-10 + Electrical balance (eq) = 4.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -71918,35 +71538,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.432e-11 - CH4 1.432e-11 1.557e-11 -10.844 -10.808 0.036 35.46 +C(-4) 1.531e-11 + CH4 1.531e-11 1.664e-11 -10.815 -10.779 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.983e-12 8.679e-12 -11.098 -11.062 0.036 28.61 +H(0) 1.623e-11 + H2 8.117e-12 8.825e-12 -11.091 -11.054 0.036 28.61 Hto 1.258e-10 Hto 1.258e-10 1.258e-10 -9.900 -9.900 0.000 (0) I 7.688e-11 @@ -71966,16 +71586,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 8.933e-12 - Nat+ 8.933e-12 8.933e-12 -11.049 -11.049 -0.000 (0) +Nat 8.932e-12 + Nat+ 8.932e-12 8.932e-12 -11.049 -11.049 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.245e-08 - HS- 1.570e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 - H2S 6.752e-09 7.340e-09 -8.171 -8.134 0.036 36.27 - S-2 6.374e-14 1.536e-14 -13.196 -13.813 -0.618 (0) - (H2S)2 2.612e-18 2.839e-18 -17.583 -17.547 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.280 0.036 30.40 +S(-2) 2.399e-08 + HS- 1.678e-08 1.104e-08 -7.775 -7.957 -0.182 21.14 + H2S 7.215e-09 7.845e-09 -8.142 -8.105 0.036 36.27 + S-2 6.812e-14 1.642e-14 -13.167 -13.785 -0.618 (0) + (H2S)2 2.983e-18 3.243e-18 -17.525 -17.489 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -71984,13 +71603,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -72002,21 +71621,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -72040,7 +71659,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.049e-11 Surface + diffuse layer charge, eq + -9.076e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -72050,7 +71669,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -72059,14 +71678,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 1.2447e-12 - I 6.4724e-25 + Hto 1.2445e-12 + I 6.4714e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6326e-13 + Nat 2.6322e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -72090,25 +71709,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.480e-13 5.278e-14 + Nat 4.479e-13 5.277e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.134 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.060e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -72120,35 +71739,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.416e-11 - CH4 1.416e-11 1.539e-11 -10.849 -10.813 0.036 35.46 +C(-4) 1.514e-11 + CH4 1.514e-11 1.646e-11 -10.820 -10.783 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.592e-11 - H2 7.960e-12 8.654e-12 -11.099 -11.063 0.036 28.61 +H(0) 1.619e-11 + H2 8.095e-12 8.801e-12 -11.092 -11.055 0.036 28.61 Hto 1.055e-11 Hto 1.055e-11 1.055e-11 -10.977 -10.977 0.000 (0) I 5.493e-12 @@ -72168,16 +71787,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.480e-13 - Nat+ 4.480e-13 4.480e-13 -12.349 -12.349 -0.000 (0) +Nat 4.479e-13 + Nat+ 4.479e-13 4.479e-13 -12.349 -12.349 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.300 -70.263 0.036 30.40 -S(-2) 2.219e-08 - HS- 1.552e-08 1.021e-08 -7.809 -7.991 -0.182 21.14 - H2S 6.673e-09 7.255e-09 -8.176 -8.139 0.036 36.27 - S-2 6.300e-14 1.519e-14 -13.201 -13.819 -0.618 (0) - (H2S)2 2.551e-18 2.774e-18 -17.593 -17.557 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.314 -70.278 0.036 30.40 +S(-2) 2.373e-08 + HS- 1.660e-08 1.093e-08 -7.780 -7.962 -0.182 21.14 + H2S 7.137e-09 7.760e-09 -8.146 -8.110 0.036 36.27 + S-2 6.739e-14 1.624e-14 -13.171 -13.789 -0.618 (0) + (H2S)2 2.919e-18 3.173e-18 -17.535 -17.498 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -72186,13 +71804,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -72204,21 +71822,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.12 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.26 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.11 -0.23 4.88 S + Sulfur -5.09 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -72242,7 +71860,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.033e-11 Surface + diffuse layer charge, eq + -9.061e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -72252,7 +71870,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -72261,14 +71879,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6641e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 8.2577e-14 + Hto 8.2567e-14 I 3.6508e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0377e-14 + Nat 1.0375e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -72287,30 +71905,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.998e-13 8.244e-14 + Hto 6.997e-13 8.243e-14 I 3.099e-13 3.651e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.766e-14 2.080e-15 + Nat 1.765e-14 2.080e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.135 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.320e-09 + Electrical balance (eq) = 9.726e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -72324,35 +71942,35 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.355e-11 - CH4 1.355e-11 1.474e-11 -10.868 -10.832 0.036 35.46 +C(-4) 1.454e-11 + CH4 1.454e-11 1.581e-11 -10.837 -10.801 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.575e-11 - H2 7.874e-12 8.560e-12 -11.104 -11.068 0.036 28.61 -Hto 6.998e-13 - Hto 6.998e-13 6.998e-13 -12.155 -12.155 0.000 (0) +H(0) 1.603e-11 + H2 8.013e-12 8.712e-12 -11.096 -11.060 0.036 28.61 +Hto 6.997e-13 + Hto 6.997e-13 6.997e-13 -12.155 -12.155 0.000 (0) I 3.099e-13 I- 3.099e-13 3.099e-13 -12.509 -12.509 -0.000 (0) K 1.540e-03 @@ -72370,16 +71988,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.766e-14 - Nat+ 1.766e-14 1.766e-14 -13.753 -13.753 -0.000 (0) +Nat 1.765e-14 + Nat+ 1.765e-14 1.765e-14 -13.753 -13.753 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.290 -70.254 0.036 30.40 -S(-2) 2.124e-08 - HS- 1.485e-08 9.779e-09 -7.828 -8.010 -0.182 21.14 - H2S 6.389e-09 6.946e-09 -8.195 -8.158 0.036 36.27 - S-2 6.031e-14 1.454e-14 -13.220 -13.837 -0.618 (0) - (H2S)2 2.338e-18 2.542e-18 -17.631 -17.595 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.305 -70.269 0.036 30.40 +S(-2) 2.279e-08 + HS- 1.593e-08 1.049e-08 -7.798 -7.979 -0.182 21.14 + H2S 6.853e-09 7.451e-09 -8.164 -8.128 0.036 36.27 + S-2 6.470e-14 1.560e-14 -13.189 -13.807 -0.618 (0) + (H2S)2 2.691e-18 2.925e-18 -17.570 -17.534 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -72388,13 +72005,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -72406,21 +72023,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.03 -10.83 -2.80 CH4 + CH4(g) -8.00 -10.80 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.16 -15.10 -7.94 H2S + H2S(g) -7.13 -15.07 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.38 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.12 -0.24 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -72444,7 +72061,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.024e-11 Surface + diffuse layer charge, eq + -9.052e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -72454,7 +72071,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -72463,14 +72080,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 4.3427e-15 + Hto 4.3421e-15 I 1.6306e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2272e-16 + Nat 3.2265e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -72489,30 +72106,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.680e-14 4.336e-15 + Hto 3.680e-14 4.335e-15 I 1.384e-14 1.630e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.492e-16 6.470e-17 + Nat 5.490e-16 6.468e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.135 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.367e-09 + Electrical balance (eq) = 1.022e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -72523,36 +72140,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.336e-11 - CH4 1.336e-11 1.452e-11 -10.874 -10.838 0.036 35.46 +C(-4) 1.434e-11 + CH4 1.434e-11 1.560e-11 -10.843 -10.807 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.569e-11 - H2 7.845e-12 8.529e-12 -11.105 -11.069 0.036 28.61 +H(0) 1.597e-11 + H2 7.986e-12 8.683e-12 -11.098 -11.061 0.036 28.61 Hto 3.680e-14 Hto 3.680e-14 3.680e-14 -13.434 -13.434 0.000 (0) I 1.384e-14 @@ -72572,16 +72189,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.492e-16 - Nat+ 5.492e-16 5.492e-16 -15.260 -15.260 -0.000 (0) +Nat 5.490e-16 + Nat+ 5.490e-16 5.490e-16 -15.260 -15.260 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.287 -70.251 0.036 30.40 -S(-2) 2.094e-08 - HS- 1.464e-08 9.639e-09 -7.834 -8.016 -0.182 21.14 - H2S 6.297e-09 6.846e-09 -8.201 -8.165 0.036 36.27 - S-2 5.945e-14 1.433e-14 -13.226 -13.844 -0.618 (0) - (H2S)2 2.272e-18 2.470e-18 -17.644 -17.607 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.248e-08 + HS- 1.572e-08 1.035e-08 -7.804 -7.985 -0.182 21.14 + H2S 6.761e-09 7.351e-09 -8.170 -8.134 0.036 36.27 + S-2 6.383e-14 1.539e-14 -13.195 -13.813 -0.618 (0) + (H2S)2 2.619e-18 2.848e-18 -17.582 -17.546 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -72596,7 +72212,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -72608,21 +72224,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -72646,7 +72262,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -72656,7 +72272,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -72665,14 +72281,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 1.8026e-16 + Hto 1.8023e-16 I 5.7427e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.8952e-18 + Nat 7.8932e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -72691,30 +72307,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.528e-15 1.800e-16 + Hto 1.527e-15 1.799e-16 I 4.874e-16 5.742e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.343e-17 1.583e-18 + Nat 1.343e-17 1.582e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.111e-10 + Electrical balance (eq) = 5.658e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -72725,38 +72341,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.432e-11 + CH4 1.432e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.841e-12 8.525e-12 -11.106 -11.069 0.036 28.61 -Hto 1.528e-15 - Hto 1.528e-15 1.528e-15 -14.816 -14.816 0.000 (0) +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 +Hto 1.527e-15 + Hto 1.527e-15 1.527e-15 -14.816 -14.816 0.000 (0) I 4.874e-16 I- 4.874e-16 4.874e-16 -15.312 -15.312 -0.000 (0) K 1.540e-03 @@ -72774,16 +72390,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.343e-17 Nat+ 1.343e-17 1.343e-17 -16.872 -16.872 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.618e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.284e-09 6.832e-09 -8.202 -8.165 0.036 36.27 - S-2 5.932e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.262e-18 2.459e-18 -17.645 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.244e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.748e-09 7.336e-09 -8.171 -8.135 0.036 36.27 + S-2 6.371e-14 1.536e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.609e-18 2.836e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -72798,7 +72413,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -72810,21 +72425,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -72848,7 +72463,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.022e-11 Surface + diffuse layer charge, eq + -9.050e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -72858,7 +72473,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -72867,14 +72482,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 5.8405e-18 - I 1.5773e-30 + Hto 5.8396e-18 + I 1.5771e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5038e-19 + Nat 1.5034e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -72893,30 +72508,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.950e-17 5.831e-18 + Hto 4.949e-17 5.830e-18 I 1.339e-17 1.577e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.559e-19 3.015e-20 + Nat 2.558e-19 3.014e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.968e-10 + Electrical balance (eq) = 5.515e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -72927,38 +72542,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.333e-11 - CH4 1.333e-11 1.449e-11 -10.875 -10.839 0.036 35.46 +C(-4) 1.431e-11 + CH4 1.431e-11 1.556e-11 -10.844 -10.808 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.568e-11 - H2 7.841e-12 8.524e-12 -11.106 -11.069 0.036 28.61 -Hto 4.950e-17 - Hto 4.950e-17 4.950e-17 -16.305 -16.305 0.000 (0) +H(0) 1.596e-11 + H2 7.982e-12 8.678e-12 -11.098 -11.062 0.036 28.61 +Hto 4.949e-17 + Hto 4.949e-17 4.949e-17 -16.306 -16.306 0.000 (0) I 1.339e-17 I- 1.339e-17 1.339e-17 -16.873 -16.873 -0.000 (0) K 1.540e-03 @@ -72976,16 +72591,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.559e-19 - Nat+ 2.559e-19 2.559e-19 -18.592 -18.592 -0.000 (0) +Nat 2.558e-19 + Nat+ 2.558e-19 2.558e-19 -18.592 -18.592 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.089e-08 - HS- 1.461e-08 9.616e-09 -7.835 -8.017 -0.182 21.14 - H2S 6.283e-09 6.831e-09 -8.202 -8.166 0.036 36.27 - S-2 5.931e-14 1.430e-14 -13.227 -13.845 -0.618 (0) - (H2S)2 2.261e-18 2.459e-18 -17.646 -17.609 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 +S(-2) 2.243e-08 + HS- 1.569e-08 1.033e-08 -7.804 -7.986 -0.182 21.14 + H2S 6.747e-09 7.335e-09 -8.171 -8.135 0.036 36.27 + S-2 6.370e-14 1.535e-14 -13.196 -13.814 -0.618 (0) + (H2S)2 2.608e-18 2.835e-18 -17.584 -17.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -73000,7 +72614,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -73012,21 +72626,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.01 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.08 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.11 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -73050,7 +72664,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.025e-11 Surface + diffuse layer charge, eq + -9.053e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -73060,7 +72674,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -73069,14 +72683,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6642e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 1.4474e-19 - I 3.3114e-32 + Hto 1.4472e-19 + I 3.3120e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1864e-21 + Nat 2.1857e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -73095,30 +72709,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.227e-18 1.445e-19 + Hto 1.226e-18 1.445e-19 I 2.810e-19 3.311e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.720e-21 4.383e-22 + Nat 3.719e-21 4.382e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.131 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.135 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.389e-09 + Electrical balance (eq) = 2.044e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -73129,38 +72743,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.337e-11 - CH4 1.337e-11 1.454e-11 -10.874 -10.837 0.036 35.46 +C(-4) 1.436e-11 + CH4 1.436e-11 1.561e-11 -10.843 -10.807 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.569e-11 - H2 7.847e-12 8.532e-12 -11.105 -11.069 0.036 28.61 -Hto 1.227e-18 - Hto 1.227e-18 1.227e-18 -17.911 -17.911 0.000 (0) +H(0) 1.598e-11 + H2 7.988e-12 8.685e-12 -11.098 -11.061 0.036 28.61 +Hto 1.226e-18 + Hto 1.226e-18 1.226e-18 -17.911 -17.911 0.000 (0) I 2.810e-19 I- 2.810e-19 2.810e-19 -18.551 -18.551 -0.000 (0) K 1.540e-03 @@ -73178,16 +72792,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.720e-21 - Nat+ 3.720e-21 3.720e-21 -20.429 -20.429 -0.000 (0) +Nat 3.719e-21 + Nat+ 3.719e-21 3.719e-21 -20.430 -20.430 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.287 -70.251 0.036 30.40 -S(-2) 2.096e-08 - HS- 1.466e-08 9.649e-09 -7.834 -8.016 -0.182 21.14 - H2S 6.304e-09 6.854e-09 -8.200 -8.164 0.036 36.27 - S-2 5.951e-14 1.435e-14 -13.225 -13.843 -0.618 (0) - (H2S)2 2.277e-18 2.475e-18 -17.643 -17.606 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.303 -70.266 0.036 30.40 +S(-2) 2.251e-08 + HS- 1.574e-08 1.036e-08 -7.803 -7.985 -0.182 21.14 + H2S 6.768e-09 7.359e-09 -8.170 -8.133 0.036 36.27 + S-2 6.390e-14 1.540e-14 -13.195 -13.812 -0.618 (0) + (H2S)2 2.624e-18 2.853e-18 -17.581 -17.545 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -73202,7 +72815,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -73214,21 +72827,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.00 -10.81 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.07 -3.10 H2 + H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.14 -15.07 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.37 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.10 -0.22 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -73252,7 +72865,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.042e-11 Surface + diffuse layer charge, eq + -9.070e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -73262,7 +72875,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -73271,14 +72884,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 2.6516e-21 + Hto 2.6511e-21 I 5.1364e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.3419e-23 + Nat 2.3411e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -73302,25 +72915,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.985e-23 4.695e-24 + Nat 3.984e-23 4.693e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.134 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.062e-10 + Electrical balance (eq) = 4.607e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -73332,35 +72945,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.426e-11 - CH4 1.426e-11 1.550e-11 -10.846 -10.810 0.036 35.46 +C(-4) 1.525e-11 + CH4 1.525e-11 1.658e-11 -10.817 -10.781 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.595e-11 - H2 7.974e-12 8.670e-12 -11.098 -11.062 0.036 28.61 +H(0) 1.622e-11 + H2 8.109e-12 8.816e-12 -11.091 -11.055 0.036 28.61 Hto 2.247e-20 Hto 2.247e-20 2.247e-20 -19.648 -19.648 0.000 (0) I 4.360e-21 @@ -73380,16 +72993,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.985e-23 - Nat+ 3.985e-23 3.985e-23 -22.400 -22.400 -0.000 (0) +Nat 3.984e-23 + Nat+ 3.984e-23 3.984e-23 -22.400 -22.400 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.301 -70.265 0.036 30.40 -S(-2) 2.235e-08 - HS- 1.563e-08 1.029e-08 -7.806 -7.988 -0.182 21.14 - H2S 6.721e-09 7.308e-09 -8.173 -8.136 0.036 36.27 - S-2 6.346e-14 1.530e-14 -13.198 -13.815 -0.618 (0) - (H2S)2 2.588e-18 2.814e-18 -17.587 -17.551 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.316 -70.279 0.036 30.40 +S(-2) 2.389e-08 + HS- 1.671e-08 1.100e-08 -7.777 -7.959 -0.182 21.14 + H2S 7.186e-09 7.812e-09 -8.144 -8.107 0.036 36.27 + S-2 6.785e-14 1.635e-14 -13.168 -13.786 -0.618 (0) + (H2S)2 2.958e-18 3.216e-18 -17.529 -17.493 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -73398,13 +73010,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -73416,21 +73028,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.26 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.11 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -73454,7 +73066,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.050e-11 Surface + diffuse layer charge, eq + -9.078e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -73464,7 +73076,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -73473,14 +73085,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 3.3857e-23 - I 5.5050e-36 + Hto 3.3849e-23 + I 5.5043e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2644e-25 + Nat 1.2639e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -73499,30 +73111,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.869e-22 3.380e-23 + Hto 2.869e-22 3.379e-23 I 4.672e-23 5.504e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.152e-25 2.535e-26 + Nat 2.151e-25 2.534e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.062e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -73534,35 +73146,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.533e-11 + CH4 1.533e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.986e-12 8.683e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.120e-12 8.828e-12 -11.090 -11.054 0.036 28.61 Hto 2.869e-22 Hto 2.869e-22 2.869e-22 -21.542 -21.542 0.000 (0) I 4.672e-23 @@ -73576,22 +73188,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.152e-25 - Nat+ 2.152e-25 2.152e-25 -24.667 -24.667 -0.000 (0) +Nat 2.151e-25 + Nat+ 2.151e-25 2.151e-25 -24.667 -24.667 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.248e-08 - HS- 1.572e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.762e-09 7.352e-09 -8.170 -8.134 0.036 36.27 - S-2 6.384e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.620e-18 2.848e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.403e-08 + HS- 1.680e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 + H2S 7.226e-09 7.857e-09 -8.141 -8.105 0.036 36.27 + S-2 6.823e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.992e-18 3.253e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -73600,13 +73211,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -73618,21 +73229,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -73656,7 +73267,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.050e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -73666,7 +73277,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -73675,9 +73286,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 2.5235e-25 + Hto 2.5229e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -73699,7 +73310,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.139e-24 2.519e-25 + Hto 2.138e-24 2.519e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -73709,18 +73320,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.060e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -73732,37 +73343,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.533e-11 + CH4 1.533e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.987e-12 8.683e-12 -11.098 -11.061 0.036 28.61 -Hto 2.139e-24 - Hto 2.139e-24 2.139e-24 -23.670 -23.670 0.000 (0) +H(0) 1.624e-11 + H2 8.120e-12 8.829e-12 -11.090 -11.054 0.036 28.61 +Hto 2.138e-24 + Hto 2.138e-24 2.138e-24 -23.670 -23.670 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -73772,20 +73383,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.573e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.763e-09 7.353e-09 -8.170 -8.134 0.036 36.27 - S-2 6.385e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.621e-18 2.849e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.403e-08 + HS- 1.681e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 + H2S 7.227e-09 7.858e-09 -8.141 -8.105 0.036 36.27 + S-2 6.824e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -73794,13 +73404,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -73812,21 +73422,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -73850,7 +73460,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.051e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -73860,7 +73470,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -73869,7 +73479,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -73901,18 +73511,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.059e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -73924,35 +73534,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.533e-11 + CH4 1.533e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.987e-12 8.683e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.120e-12 8.829e-12 -11.090 -11.054 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -73962,20 +73572,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.573e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.763e-09 7.353e-09 -8.170 -8.134 0.036 36.27 - S-2 6.385e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.621e-18 2.849e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.403e-08 + HS- 1.681e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 + H2S 7.227e-09 7.858e-09 -8.141 -8.105 0.036 36.27 + S-2 6.824e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -73984,13 +73593,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -74002,21 +73611,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -74040,7 +73649,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.050e-11 Surface + diffuse layer charge, eq + -9.078e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -74050,7 +73659,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -74059,7 +73668,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -74091,18 +73700,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.062e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -74114,35 +73723,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.533e-11 + CH4 1.533e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.986e-12 8.683e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.120e-12 8.829e-12 -11.090 -11.054 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -74152,20 +73761,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.572e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.763e-09 7.353e-09 -8.170 -8.134 0.036 36.27 - S-2 6.385e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.620e-18 2.849e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.403e-08 + HS- 1.681e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 + H2S 7.227e-09 7.858e-09 -8.141 -8.105 0.036 36.27 + S-2 6.824e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -74174,13 +73782,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -74192,21 +73800,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -74230,7 +73838,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.050e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -74240,7 +73848,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -74249,7 +73857,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -74281,18 +73889,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.061e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -74304,35 +73912,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.533e-11 + CH4 1.533e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.986e-12 8.683e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.120e-12 8.829e-12 -11.090 -11.054 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -74342,20 +73950,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.572e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.763e-09 7.353e-09 -8.170 -8.134 0.036 36.27 - S-2 6.385e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.620e-18 2.849e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.403e-08 + HS- 1.681e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 + H2S 7.227e-09 7.858e-09 -8.141 -8.105 0.036 36.27 + S-2 6.824e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -74364,13 +73971,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -74382,21 +73989,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -74420,7 +74027,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.050e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -74430,7 +74037,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -74439,7 +74046,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -74471,18 +74078,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.061e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -74494,35 +74101,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.533e-11 + CH4 1.533e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.987e-12 8.683e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.120e-12 8.829e-12 -11.090 -11.054 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -74532,20 +74139,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.573e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.763e-09 7.353e-09 -8.170 -8.134 0.036 36.27 - S-2 6.385e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.620e-18 2.849e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.403e-08 + HS- 1.681e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 + H2S 7.227e-09 7.858e-09 -8.141 -8.105 0.036 36.27 + S-2 6.824e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -74554,13 +74160,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -74572,21 +74178,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.01 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -74610,7 +74216,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.051e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -74620,7 +74226,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -74629,7 +74235,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -74661,18 +74267,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.058e-10 + Electrical balance (eq) = 4.605e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -74684,35 +74290,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.533e-11 + CH4 1.533e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.987e-12 8.683e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.120e-12 8.829e-12 -11.090 -11.054 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -74722,20 +74328,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.573e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.763e-09 7.353e-09 -8.170 -8.134 0.036 36.27 - S-2 6.385e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.621e-18 2.849e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.403e-08 + HS- 1.681e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 + H2S 7.227e-09 7.858e-09 -8.141 -8.105 0.036 36.27 + S-2 6.824e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -74744,13 +74349,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -74762,21 +74367,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.00 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -74806,18 +74411,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -74831,8 +74436,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -74856,8 +74461,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -74877,16 +74482,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -74913,21 +74517,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -74955,18 +74559,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -74980,8 +74584,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -75005,8 +74609,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -75026,16 +74630,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -75062,21 +74665,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -75113,18 +74716,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.919 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.910 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -75138,8 +74741,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.737e-13 - CH4 2.737e-13 2.975e-13 -12.563 -12.526 0.036 35.46 +C(-4) 2.295e-13 + CH4 2.295e-13 2.495e-13 -12.639 -12.603 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -75163,8 +74766,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 5.935e-12 - H2 2.968e-12 3.227e-12 -11.528 -11.491 0.036 28.61 +H(0) 5.679e-12 + H2 2.840e-12 3.087e-12 -11.547 -11.510 0.036 28.61 Hto 6.479e-07 Hto 6.479e-07 6.479e-07 -6.189 -6.189 0.000 (0) I 7.908e-07 @@ -75184,16 +74787,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.100e-07 Nat+ 4.100e-07 4.100e-07 -6.387 -6.387 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.443 -69.406 0.036 30.40 -S(-2) 4.290e-10 - HS- 3.000e-10 1.975e-10 -9.523 -9.705 -0.182 21.14 - H2S 1.291e-10 1.403e-10 -9.889 -9.853 0.036 36.27 - S-2 1.217e-15 2.934e-16 -14.915 -15.533 -0.618 (0) - (H2S)2 9.545e-22 1.038e-21 -21.020 -20.984 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.404 -69.368 0.036 30.40 +S(-2) 3.597e-10 + HS- 2.515e-10 1.656e-10 -9.599 -9.781 -0.182 21.14 + H2S 1.082e-10 1.177e-10 -9.966 -9.929 0.036 36.27 + S-2 1.021e-15 2.460e-16 -14.991 -15.609 -0.618 (0) + (H2S)2 6.710e-22 7.295e-22 -21.173 -21.137 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -75220,21 +74822,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.72 -12.53 -2.80 CH4 + CH4(g) -9.80 -12.60 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.39 -11.49 -3.10 H2 + H2(g) -8.41 -11.51 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.86 -16.79 -7.94 H2S + H2S(g) -8.93 -16.87 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.51 -69.41 -2.89 O2 + O2(g) -66.48 -69.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.39 -1.51 4.88 S + Sulfur -6.45 -1.57 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -75258,7 +74860,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.205e-13 Surface + diffuse layer charge, eq + -1.181e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -75268,7 +74870,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -75315,18 +74917,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.029 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.023 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.987e-09 + Electrical balance (eq) = 1.725e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -75340,33 +74942,33 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.051e-12 - CH4 2.051e-12 2.230e-12 -11.688 -11.652 0.036 35.46 +C(-4) 1.832e-12 + CH4 1.832e-12 1.992e-12 -11.737 -11.701 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.820e-12 - H2 4.910e-12 5.338e-12 -11.309 -11.273 0.036 28.61 +H(0) 9.547e-12 + H2 4.773e-12 5.190e-12 -11.321 -11.285 0.036 28.61 Hto 4.915e-07 Hto 4.915e-07 4.915e-07 -6.308 -6.308 0.000 (0) I 6.141e-07 @@ -75386,16 +74988,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.103e-07 Nat+ 3.103e-07 3.103e-07 -6.508 -6.508 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.880 -69.844 0.036 30.40 -S(-2) 3.215e-09 - HS- 2.248e-09 1.480e-09 -8.648 -8.830 -0.182 21.14 - H2S 9.671e-10 1.052e-09 -9.015 -8.978 0.036 36.27 - S-2 9.122e-15 2.199e-15 -14.040 -14.658 -0.618 (0) - (H2S)2 5.359e-20 5.826e-20 -19.271 -19.235 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.855 -69.819 0.036 30.40 +S(-2) 2.872e-09 + HS- 2.008e-09 1.322e-09 -8.697 -8.879 -0.182 21.14 + H2S 8.640e-10 9.393e-10 -9.064 -9.027 0.036 36.27 + S-2 8.149e-15 1.964e-15 -14.089 -14.707 -0.618 (0) + (H2S)2 4.277e-20 4.650e-20 -19.369 -19.333 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -75410,7 +75011,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -75422,21 +75023,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.85 -11.65 -2.80 CH4 + CH4(g) -8.90 -11.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.18 -11.28 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.98 -15.92 -7.94 H2S + H2S(g) -8.03 -15.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.95 -69.84 -2.89 O2 + O2(g) -66.93 -69.82 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.74 -0.86 4.88 S + Sulfur -5.77 -0.89 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -75460,7 +75061,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.061e-11 Surface + diffuse layer charge, eq + -9.047e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -75470,7 +75071,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -75479,14 +75080,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6644e-10 + Cl 4.6645e-10 H 1.2948e-04 Hto 2.2623e-08 - I 2.5179e-20 + I 2.5176e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.2678e-08 + Nat 5.2677e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -75517,18 +75118,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.124 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.122 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.599e-09 + Electrical balance (eq) = 4.984e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -75542,18 +75143,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.181e-11 - CH4 1.181e-11 1.284e-11 -10.928 -10.891 0.036 35.46 +C(-4) 1.135e-11 + CH4 1.135e-11 1.234e-11 -10.945 -10.909 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 @@ -75561,14 +75162,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.521e-11 - H2 7.607e-12 8.271e-12 -11.119 -11.082 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) +H(0) 1.506e-11 + H2 7.532e-12 8.188e-12 -11.123 -11.087 0.036 28.61 Hto 1.917e-07 Hto 1.917e-07 1.917e-07 -6.717 -6.717 0.000 (0) I 2.137e-07 @@ -75588,16 +75189,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 8.964e-08 Nat+ 8.964e-08 8.964e-08 -7.048 -7.048 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.260 -70.224 0.036 30.40 -S(-2) 1.852e-08 - HS- 1.295e-08 8.523e-09 -7.888 -8.069 -0.182 21.14 - H2S 5.569e-09 6.055e-09 -8.254 -8.218 0.036 36.27 - S-2 5.256e-14 1.267e-14 -13.279 -13.897 -0.618 (0) - (H2S)2 1.777e-18 1.932e-18 -17.750 -17.714 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.252 -70.215 0.036 30.40 +S(-2) 1.779e-08 + HS- 1.244e-08 8.188e-09 -7.905 -8.087 -0.182 21.14 + H2S 5.350e-09 5.817e-09 -8.272 -8.235 0.036 36.27 + S-2 5.050e-14 1.217e-14 -13.297 -13.915 -0.618 (0) + (H2S)2 1.640e-18 1.783e-18 -17.785 -17.749 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -75606,12 +75206,12 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) @@ -75624,21 +75224,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.09 -10.89 -2.80 CH4 + CH4(g) -8.11 -10.91 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.98 -11.08 -3.10 H2 + H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.22 -15.16 -7.94 H2S + H2S(g) -7.24 -15.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.33 -70.22 -2.89 O2 + O2(g) -67.32 -70.22 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.17 -0.29 4.88 S + Sulfur -5.18 -0.30 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -75662,7 +75262,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.113e-11 Surface + diffuse layer charge, eq + -9.116e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -75672,7 +75272,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -75681,14 +75281,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6639e-10 H 1.2948e-04 - Hto 6.0854e-09 - I 5.9201e-21 + Hto 6.0852e-09 + I 5.9210e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.4169e-09 + Nat 9.4164e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -75707,7 +75307,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.157e-08 6.076e-09 + Hto 5.157e-08 6.075e-09 I 5.025e-08 5.920e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -75719,18 +75319,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.136 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.203e-10 + Electrical balance (eq) = 3.702e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -75744,33 +75344,33 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.445e-11 - CH4 1.445e-11 1.571e-11 -10.840 -10.804 0.036 35.46 +C(-4) 1.482e-11 + CH4 1.482e-11 1.611e-11 -10.829 -10.793 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.600e-11 - H2 8.000e-12 8.698e-12 -11.097 -11.061 0.036 28.61 +H(0) 1.610e-11 + H2 8.051e-12 8.753e-12 -11.094 -11.058 0.036 28.61 Hto 5.157e-08 Hto 5.157e-08 5.157e-08 -7.288 -7.288 0.000 (0) I 5.025e-08 @@ -75790,16 +75390,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.602e-08 Nat+ 1.602e-08 1.602e-08 -7.795 -7.795 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.304 -70.268 0.036 30.40 -S(-2) 2.264e-08 - HS- 1.583e-08 1.042e-08 -7.800 -7.982 -0.182 21.14 - H2S 6.810e-09 7.404e-09 -8.167 -8.131 0.036 36.27 - S-2 6.429e-14 1.550e-14 -13.192 -13.810 -0.618 (0) - (H2S)2 2.657e-18 2.888e-18 -17.576 -17.539 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.309 -70.273 0.036 30.40 +S(-2) 2.322e-08 + HS- 1.624e-08 1.069e-08 -7.789 -7.971 -0.182 21.14 + H2S 6.984e-09 7.593e-09 -8.156 -8.120 0.036 36.27 + S-2 6.594e-14 1.589e-14 -13.181 -13.799 -0.618 (0) + (H2S)2 2.794e-18 3.038e-18 -17.554 -17.517 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -75826,21 +75425,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.00 -10.80 -2.80 CH4 + CH4(g) -7.99 -10.79 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.96 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.07 -7.94 H2S + H2S(g) -7.13 -15.06 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.38 -70.27 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.09 -0.21 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -75864,7 +75463,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.096e-11 Surface + diffuse layer charge, eq + -9.120e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -75874,7 +75473,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -75883,14 +75482,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6637e-10 H 1.2948e-04 - Hto 1.1957e-09 + Hto 1.1956e-09 I 1.0056e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1697e-09 + Nat 1.1696e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -75921,18 +75520,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.141 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.151e-10 + Electrical balance (eq) = 3.690e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -75946,8 +75545,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.518e-11 - CH4 1.518e-11 1.650e-11 -10.819 -10.783 0.036 35.46 +C(-4) 1.603e-11 + CH4 1.603e-11 1.742e-11 -10.795 -10.759 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -75956,8 +75555,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -75967,12 +75566,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.620e-11 - H2 8.099e-12 8.806e-12 -11.092 -11.055 0.036 28.61 +H(0) 1.642e-11 + H2 8.210e-12 8.927e-12 -11.086 -11.049 0.036 28.61 Hto 1.013e-08 Hto 1.013e-08 1.013e-08 -7.994 -7.994 0.000 (0) I 8.536e-09 @@ -75986,22 +75585,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.990e-09 Nat+ 1.990e-09 1.990e-09 -8.701 -8.701 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.315 -70.278 0.036 30.40 -S(-2) 2.379e-08 - HS- 1.663e-08 1.095e-08 -7.779 -7.961 -0.182 21.14 - H2S 7.153e-09 7.777e-09 -8.146 -8.109 0.036 36.27 - S-2 6.754e-14 1.628e-14 -13.170 -13.788 -0.618 (0) - (H2S)2 2.931e-18 3.187e-18 -17.533 -17.497 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.326 -70.290 0.036 30.40 +S(-2) 2.512e-08 + HS- 1.756e-08 1.156e-08 -7.755 -7.937 -0.182 21.14 + H2S 7.553e-09 8.212e-09 -8.122 -8.086 0.036 36.27 + S-2 7.132e-14 1.719e-14 -13.147 -13.765 -0.618 (0) + (H2S)2 3.269e-18 3.554e-18 -17.486 -17.449 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -76010,14 +75608,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -76028,21 +75626,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.96 -10.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.09 -15.03 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.09 -0.20 4.88 S + Sulfur -5.07 -0.19 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -76066,7 +75664,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.084e-11 Surface + diffuse layer charge, eq + -9.112e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -76076,7 +75674,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -76085,14 +75683,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 1.7838e-10 - I 1.2886e-22 + Hto 1.7837e-10 + I 1.2881e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0739e-10 + Nat 1.0737e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -76123,18 +75721,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.151e-10 + Electrical balance (eq) = 3.695e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -76148,8 +75746,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.534e-11 - CH4 1.534e-11 1.667e-11 -10.814 -10.778 0.036 35.46 +C(-4) 1.630e-11 + CH4 1.630e-11 1.773e-11 -10.788 -10.751 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -76158,7 +75756,7 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 @@ -76169,12 +75767,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.624e-11 - H2 8.121e-12 8.829e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.649e-11 + H2 8.246e-12 8.965e-12 -11.084 -11.047 0.036 28.61 Hto 1.512e-09 Hto 1.512e-09 1.512e-09 -8.821 -8.821 0.000 (0) I 1.093e-09 @@ -76188,22 +75786,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.827e-10 Nat+ 1.827e-10 1.827e-10 -9.738 -9.738 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.404e-08 - HS- 1.681e-08 1.106e-08 -7.775 -7.956 -0.182 21.14 - H2S 7.228e-09 7.859e-09 -8.141 -8.105 0.036 36.27 - S-2 6.825e-14 1.645e-14 -13.166 -13.784 -0.618 (0) - (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.330 -70.294 0.036 30.40 +S(-2) 2.555e-08 + HS- 1.787e-08 1.176e-08 -7.748 -7.930 -0.182 21.14 + H2S 7.684e-09 8.354e-09 -8.114 -8.078 0.036 36.27 + S-2 7.255e-14 1.749e-14 -13.139 -13.757 -0.618 (0) + (H2S)2 3.382e-18 3.678e-18 -17.471 -17.434 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -76212,14 +75809,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -76230,21 +75827,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -76268,7 +75865,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.080e-11 Surface + diffuse layer charge, eq + -9.108e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -76278,7 +75875,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -76287,14 +75884,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 2.0729e-11 + Hto 2.0728e-11 I 1.2802e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.5574e-12 + Nat 7.5564e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -76313,7 +75910,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.757e-10 2.070e-11 + Hto 1.757e-10 2.069e-11 I 1.087e-10 1.280e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -76325,18 +75922,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.156e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -76350,8 +75947,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.534e-11 - CH4 1.534e-11 1.667e-11 -10.814 -10.778 0.036 35.46 +C(-4) 1.632e-11 + CH4 1.632e-11 1.774e-11 -10.787 -10.751 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -76360,8 +75957,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -76371,12 +75968,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.624e-11 - H2 8.121e-12 8.829e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.650e-11 + H2 8.248e-12 8.967e-12 -11.084 -11.047 0.036 28.61 Hto 1.757e-10 Hto 1.757e-10 1.757e-10 -9.755 -9.755 0.000 (0) I 1.087e-10 @@ -76390,22 +75987,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.286e-11 Nat+ 1.286e-11 1.286e-11 -10.891 -10.891 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.404e-08 - HS- 1.681e-08 1.106e-08 -7.774 -7.956 -0.182 21.14 - H2S 7.228e-09 7.859e-09 -8.141 -8.105 0.036 36.27 - S-2 6.825e-14 1.645e-14 -13.166 -13.784 -0.618 (0) - (H2S)2 2.994e-18 3.255e-18 -17.524 -17.487 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.330 -70.294 0.036 30.40 +S(-2) 2.558e-08 + HS- 1.789e-08 1.177e-08 -7.747 -7.929 -0.182 21.14 + H2S 7.692e-09 8.363e-09 -8.114 -8.078 0.036 36.27 + S-2 7.263e-14 1.751e-14 -13.139 -13.757 -0.618 (0) + (H2S)2 3.390e-18 3.685e-18 -17.470 -17.434 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -76414,14 +76010,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -76432,21 +76028,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -76470,7 +76066,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.077e-11 Surface + diffuse layer charge, eq + -9.105e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -76480,7 +76076,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -76489,14 +76085,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6637e-10 H 1.2948e-04 - Hto 1.9076e-12 + Hto 1.9074e-12 I 1.0043e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.1685e-13 + Nat 4.1678e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -76515,30 +76111,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.617e-11 1.904e-12 + Hto 1.616e-11 1.904e-12 I 8.525e-12 1.004e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.093e-13 8.356e-14 + Nat 7.092e-13 8.355e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.141 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.155e-10 + Electrical balance (eq) = 3.698e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -76550,10 +76146,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.516e-11 - CH4 1.516e-11 1.648e-11 -10.819 -10.783 0.036 35.46 +C(-4) 1.614e-11 + CH4 1.614e-11 1.755e-11 -10.792 -10.756 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -76562,8 +76158,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -76573,14 +76169,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.619e-11 - H2 8.097e-12 8.803e-12 -11.092 -11.055 0.036 28.61 -Hto 1.617e-11 - Hto 1.617e-11 1.617e-11 -10.791 -10.791 0.000 (0) +H(0) 1.645e-11 + H2 8.226e-12 8.943e-12 -11.085 -11.049 0.036 28.61 +Hto 1.616e-11 + Hto 1.616e-11 1.616e-11 -10.791 -10.791 0.000 (0) I 8.525e-12 I- 8.525e-12 8.525e-12 -11.069 -11.069 -0.000 (0) K 1.540e-03 @@ -76592,22 +76188,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.093e-13 - Nat+ 7.093e-13 7.093e-13 -12.149 -12.149 -0.000 (0) +Nat 7.092e-13 + Nat+ 7.092e-13 7.092e-13 -12.149 -12.149 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.314 -70.278 0.036 30.40 -S(-2) 2.376e-08 - HS- 1.661e-08 1.094e-08 -7.780 -7.961 -0.182 21.14 - H2S 7.145e-09 7.768e-09 -8.146 -8.110 0.036 36.27 - S-2 6.746e-14 1.626e-14 -13.171 -13.789 -0.618 (0) - (H2S)2 2.924e-18 3.180e-18 -17.534 -17.498 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.328 -70.292 0.036 30.40 +S(-2) 2.530e-08 + HS- 1.769e-08 1.165e-08 -7.752 -7.934 -0.182 21.14 + H2S 7.609e-09 8.272e-09 -8.119 -8.082 0.036 36.27 + S-2 7.185e-14 1.732e-14 -13.144 -13.761 -0.618 (0) + (H2S)2 3.317e-18 3.606e-18 -17.479 -17.443 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -76616,14 +76211,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -76634,21 +76229,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.12 -15.05 -7.94 H2S + H2S(g) -7.09 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.09 -0.20 4.88 S + Sulfur -5.07 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -76672,7 +76267,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.062e-11 Surface + diffuse layer charge, eq + -9.090e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -76682,7 +76277,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -76691,14 +76286,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 1.4035e-13 - I 6.2894e-26 + Hto 1.4034e-13 + I 6.2882e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8256e-14 + Nat 1.8252e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -76722,25 +76317,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.106e-14 3.660e-15 + Nat 3.106e-14 3.659e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.136 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.139 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.229e-09 + Electrical balance (eq) = 8.819e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -76752,35 +76347,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.459e-11 - CH4 1.459e-11 1.586e-11 -10.836 -10.800 0.036 35.46 +C(-4) 1.558e-11 + CH4 1.558e-11 1.694e-11 -10.807 -10.771 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.604e-11 - H2 8.020e-12 8.720e-12 -11.096 -11.059 0.036 28.61 +H(0) 1.630e-11 + H2 8.152e-12 8.864e-12 -11.089 -11.052 0.036 28.61 Hto 1.189e-12 Hto 1.189e-12 1.189e-12 -11.925 -11.925 0.000 (0) I 5.337e-13 @@ -76794,22 +76389,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 3.106e-14 Nat+ 3.106e-14 3.106e-14 -13.508 -13.508 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.306 -70.270 0.036 30.40 -S(-2) 2.287e-08 - HS- 1.599e-08 1.053e-08 -7.796 -7.978 -0.182 21.14 - H2S 6.878e-09 7.478e-09 -8.163 -8.126 0.036 36.27 - S-2 6.494e-14 1.565e-14 -13.188 -13.805 -0.618 (0) - (H2S)2 2.710e-18 2.947e-18 -17.567 -17.531 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.320 -70.284 0.036 30.40 +S(-2) 2.441e-08 + HS- 1.707e-08 1.124e-08 -7.768 -7.949 -0.182 21.14 + H2S 7.342e-09 7.983e-09 -8.134 -8.098 0.036 36.27 + S-2 6.932e-14 1.671e-14 -13.159 -13.777 -0.618 (0) + (H2S)2 3.088e-18 3.358e-18 -17.510 -17.474 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -76836,21 +76430,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.00 -10.80 -2.80 CH4 + CH4(g) -7.97 -10.77 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.13 -15.07 -7.94 H2S + H2S(g) -7.10 -15.04 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.38 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -76874,7 +76468,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.053e-11 Surface + diffuse layer charge, eq + -9.081e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -76884,7 +76478,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -76893,14 +76487,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 8.2913e-15 - I 3.1558e-27 + Hto 8.2902e-15 + I 3.1562e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3873e-16 + Nat 6.3859e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -76919,7 +76513,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.026e-14 8.278e-15 + Hto 7.026e-14 8.277e-15 I 2.679e-14 3.156e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -76931,18 +76525,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.277e-09 + Electrical balance (eq) = 9.317e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -76954,35 +76548,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.439e-11 - CH4 1.439e-11 1.564e-11 -10.842 -10.806 0.036 35.46 +C(-4) 1.537e-11 + CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.598e-11 - H2 7.992e-12 8.689e-12 -11.097 -11.061 0.036 28.61 +H(0) 1.625e-11 + H2 8.125e-12 8.834e-12 -11.090 -11.054 0.036 28.61 Hto 7.026e-14 Hto 7.026e-14 7.026e-14 -13.153 -13.153 0.000 (0) I 2.679e-14 @@ -76996,22 +76590,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.087e-15 Nat+ 1.087e-15 1.087e-15 -14.964 -14.964 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.303 -70.267 0.036 30.40 -S(-2) 2.255e-08 - HS- 1.577e-08 1.038e-08 -7.802 -7.984 -0.182 21.14 - H2S 6.781e-09 7.373e-09 -8.169 -8.132 0.036 36.27 - S-2 6.402e-14 1.543e-14 -13.194 -13.812 -0.618 (0) - (H2S)2 2.634e-18 2.864e-18 -17.579 -17.543 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.409e-08 + HS- 1.685e-08 1.109e-08 -7.773 -7.955 -0.182 21.14 + H2S 7.245e-09 7.877e-09 -8.140 -8.104 0.036 36.27 + S-2 6.841e-14 1.649e-14 -13.165 -13.783 -0.618 (0) + (H2S)2 3.007e-18 3.270e-18 -17.522 -17.485 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -77020,13 +76613,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -77038,21 +76631,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.00 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.07 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -77076,7 +76669,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.051e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -77086,7 +76679,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -77095,14 +76688,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 3.9285e-16 + Hto 3.9279e-16 I 1.2691e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7859e-17 + Nat 1.7854e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -77126,25 +76719,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.039e-17 3.580e-18 + Nat 3.038e-17 3.579e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.209e-10 + Electrical balance (eq) = 4.753e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -77156,35 +76749,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.534e-11 + CH4 1.534e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.987e-12 8.684e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.121e-12 8.829e-12 -11.090 -11.054 0.036 28.61 Hto 3.329e-15 Hto 3.329e-15 3.329e-15 -14.478 -14.478 0.000 (0) I 1.077e-15 @@ -77198,22 +76791,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.039e-17 - Nat+ 3.039e-17 3.039e-17 -16.517 -16.517 -0.000 (0) +Nat 3.038e-17 + Nat+ 3.038e-17 3.038e-17 -16.517 -16.517 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.303 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.573e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.765e-09 7.355e-09 -8.170 -8.133 0.036 36.27 - S-2 6.387e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.622e-18 2.850e-18 -17.581 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.404e-08 + HS- 1.681e-08 1.107e-08 -7.774 -7.956 -0.182 21.14 + H2S 7.229e-09 7.859e-09 -8.141 -8.105 0.036 36.27 + S-2 6.825e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.994e-18 3.255e-18 -17.524 -17.487 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -77222,13 +76814,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -77240,21 +76832,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.00 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -77278,7 +76870,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.051e-11 Surface + diffuse layer charge, eq + -9.079e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -77288,7 +76880,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -77297,14 +76889,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 1.4835e-17 + Hto 1.4832e-17 I 4.0637e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9686e-19 + Nat 3.9675e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -77328,25 +76920,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.753e-19 7.956e-20 + Nat 6.751e-19 7.953e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.065e-10 + Electrical balance (eq) = 4.610e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -77358,35 +76950,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.435e-11 - CH4 1.435e-11 1.560e-11 -10.843 -10.807 0.036 35.46 +C(-4) 1.534e-11 + CH4 1.534e-11 1.667e-11 -10.814 -10.778 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.597e-11 - H2 7.987e-12 8.683e-12 -11.098 -11.061 0.036 28.61 +H(0) 1.624e-11 + H2 8.121e-12 8.829e-12 -11.090 -11.054 0.036 28.61 Hto 1.257e-16 Hto 1.257e-16 1.257e-16 -15.901 -15.901 0.000 (0) I 3.449e-17 @@ -77400,22 +76992,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 6.753e-19 - Nat+ 6.753e-19 6.753e-19 -18.171 -18.171 -0.000 (0) +Nat 6.751e-19 + Nat+ 6.751e-19 6.751e-19 -18.171 -18.171 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.302 -70.266 0.036 30.40 -S(-2) 2.249e-08 - HS- 1.573e-08 1.035e-08 -7.803 -7.985 -0.182 21.14 - H2S 6.764e-09 7.354e-09 -8.170 -8.133 0.036 36.27 - S-2 6.386e-14 1.539e-14 -13.195 -13.813 -0.618 (0) - (H2S)2 2.621e-18 2.850e-18 -17.582 -17.545 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 +S(-2) 2.404e-08 + HS- 1.681e-08 1.106e-08 -7.774 -7.956 -0.182 21.14 + H2S 7.228e-09 7.859e-09 -8.141 -8.105 0.036 36.27 + S-2 6.825e-14 1.645e-14 -13.166 -13.784 -0.618 (0) + (H2S)2 2.993e-18 3.254e-18 -17.524 -17.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -77424,13 +77015,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -77442,21 +77033,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.00 -10.81 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.08 -7.94 H2S + H2S(g) -7.11 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -77480,7 +77071,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.054e-11 Surface + diffuse layer charge, eq + -9.082e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -77490,7 +77081,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -77499,14 +77090,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6638e-10 H 1.2948e-04 - Hto 4.4080e-19 + Hto 4.4072e-19 I 1.0234e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.9244e-21 + Nat 6.9223e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -77525,7 +77116,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.736e-18 4.401e-19 + Hto 3.735e-18 4.400e-19 I 8.686e-19 1.023e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -77537,18 +77128,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.139 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.299e-09 + Electrical balance (eq) = 1.953e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -77560,37 +77151,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.443e-11 - CH4 1.443e-11 1.569e-11 -10.841 -10.804 0.036 35.46 +C(-4) 1.542e-11 + CH4 1.542e-11 1.676e-11 -10.812 -10.776 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.600e-11 - H2 7.998e-12 8.696e-12 -11.097 -11.061 0.036 28.61 -Hto 3.736e-18 - Hto 3.736e-18 3.736e-18 -17.428 -17.428 0.000 (0) +H(0) 1.626e-11 + H2 8.131e-12 8.841e-12 -11.090 -11.054 0.036 28.61 +Hto 3.735e-18 + Hto 3.735e-18 3.735e-18 -17.428 -17.428 0.000 (0) I 8.686e-19 I- 8.686e-19 8.686e-19 -18.061 -18.061 -0.000 (0) K 1.540e-03 @@ -77602,22 +77193,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.178e-20 Nat+ 1.178e-20 1.178e-20 -19.929 -19.929 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.304 -70.267 0.036 30.40 -S(-2) 2.262e-08 - HS- 1.582e-08 1.041e-08 -7.801 -7.982 -0.182 21.14 - H2S 6.802e-09 7.395e-09 -8.167 -8.131 0.036 36.27 - S-2 6.422e-14 1.548e-14 -13.192 -13.810 -0.618 (0) - (H2S)2 2.651e-18 2.882e-18 -17.577 -17.540 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.318 -70.282 0.036 30.40 +S(-2) 2.416e-08 + HS- 1.690e-08 1.112e-08 -7.772 -7.954 -0.182 21.14 + H2S 7.266e-09 7.900e-09 -8.139 -8.102 0.036 36.27 + S-2 6.861e-14 1.654e-14 -13.164 -13.782 -0.618 (0) + (H2S)2 3.025e-18 3.289e-18 -17.519 -17.483 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -77626,13 +77216,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -77644,21 +77234,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.00 -10.80 -2.80 CH4 + CH4(g) -7.97 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.14 -15.07 -7.94 H2S + H2S(g) -7.11 -15.04 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.38 -70.27 -2.89 O2 + O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.22 4.88 S + Sulfur -5.08 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -77682,7 +77272,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.070e-11 Surface + diffuse layer charge, eq + -9.099e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -77692,7 +77282,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -77701,14 +77291,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 1.0087e-20 - I 1.9835e-33 + Hto 1.0085e-20 + I 1.9831e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.2844e-23 + Nat 9.2813e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -77727,30 +77317,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.548e-20 1.007e-20 + Hto 8.546e-20 1.007e-20 I 1.683e-20 1.983e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.580e-22 1.861e-23 + Nat 1.579e-22 1.861e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.141 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.158e-10 + Electrical balance (eq) = 3.700e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -77764,8 +77354,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.524e-11 - CH4 1.524e-11 1.657e-11 -10.817 -10.781 0.036 35.46 +C(-4) 1.623e-11 + CH4 1.623e-11 1.765e-11 -10.790 -10.753 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -77774,8 +77364,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -77785,14 +77375,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.622e-11 - H2 8.108e-12 8.816e-12 -11.091 -11.055 0.036 28.61 -Hto 8.548e-20 - Hto 8.548e-20 8.548e-20 -19.068 -19.068 0.000 (0) +H(0) 1.647e-11 + H2 8.237e-12 8.955e-12 -11.084 -11.048 0.036 28.61 +Hto 8.546e-20 + Hto 8.546e-20 8.546e-20 -19.068 -19.068 0.000 (0) I 1.683e-20 I- 1.683e-20 1.683e-20 -19.774 -19.774 -0.000 (0) K 1.540e-03 @@ -77804,22 +77394,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.580e-22 - Nat+ 1.580e-22 1.580e-22 -21.801 -21.801 -0.000 (0) +Nat 1.579e-22 + Nat+ 1.579e-22 1.579e-22 -21.802 -21.802 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.316 -70.279 0.036 30.40 -S(-2) 2.389e-08 - HS- 1.671e-08 1.100e-08 -7.777 -7.959 -0.182 21.14 - H2S 7.185e-09 7.812e-09 -8.144 -8.107 0.036 36.27 - S-2 6.784e-14 1.635e-14 -13.169 -13.786 -0.618 (0) - (H2S)2 2.958e-18 3.216e-18 -17.529 -17.493 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.329 -70.293 0.036 30.40 +S(-2) 2.544e-08 + HS- 1.779e-08 1.171e-08 -7.750 -7.931 -0.182 21.14 + H2S 7.649e-09 8.317e-09 -8.116 -8.080 0.036 36.27 + S-2 7.223e-14 1.741e-14 -13.141 -13.759 -0.618 (0) + (H2S)2 3.352e-18 3.645e-18 -17.475 -17.438 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -77828,14 +77417,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -77846,21 +77435,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.09 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -77884,7 +77473,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.079e-11 Surface + diffuse layer charge, eq + -9.107e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -77894,7 +77483,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -77903,14 +77492,214 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 + H 1.2948e-04 + Hto 1.7158e-22 + I 2.8523e-35 + K 8.9156e-04 + Mg 4.6365e-02 + Na 1.3761e-01 + Nat 8.7612e-25 + O 1.7087e-03 + S 3.1372e-04 + Sr 1.3747e-03 + +Su + 3.770e-01 moles + Mole Log + Species Moles Fraction Molality Molality + + Su- 3.770e-01 1.000 3.200e+00 0.505 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + C 2.744e-03 3.233e-04 + Ca 2.590e-02 3.051e-03 + Cl 3.000e-01 3.535e-02 + Hto 1.454e-21 1.713e-22 + I 2.421e-22 2.852e-23 + K 1.540e-03 1.814e-04 + Mg 1.720e-02 2.026e-03 + Na 2.390e-01 2.816e-02 + Nat 1.491e-24 1.756e-25 + S 1.260e-02 1.484e-03 + Sr 5.000e-04 5.890e-05 + +----------------------------Description of solution---------------------------- + + pH = 7.090 Charge balance + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 + Density (g/cm³) = 1.01108 + Volume (L) = 0.11874 + Viscosity (mPa s) = 0.92734 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.632e-01 + Mass of water (kg) = 1.178e-01 + Total alkalinity (eq/kg) = 2.500e-03 + Total CO2 (mol/kg) = 2.744e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = 3.697e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 0 (14 overall) + Total H = 1.307864e+01 + Total O = 6.546049e+00 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 +C(-4) 1.635e-11 + CH4 1.635e-11 1.777e-11 -10.787 -10.750 0.036 35.46 +C(4) 2.744e-03 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 +Ca 2.590e-02 + Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) +Cl 3.000e-01 + Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.650e-11 + H2 8.251e-12 8.971e-12 -11.083 -11.047 0.036 28.61 +Hto 1.454e-21 + Hto 1.454e-21 1.454e-21 -20.837 -20.837 0.000 (0) +I 2.421e-22 + I- 2.421e-22 2.421e-22 -21.616 -21.616 -0.000 (0) +K 1.540e-03 + K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 +Mg 1.720e-02 + Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) +Na 2.390e-01 + Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 1.491e-24 + Nat+ 1.491e-24 1.491e-24 -23.827 -23.827 -0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.331 -70.294 0.036 30.40 +S(-2) 2.562e-08 + HS- 1.792e-08 1.179e-08 -7.747 -7.928 -0.182 21.14 + H2S 7.705e-09 8.377e-09 -8.113 -8.077 0.036 36.27 + S-2 7.276e-14 1.754e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.401e-18 3.698e-18 -17.468 -17.432 0.036 30.09 +S(6) 1.260e-02 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) +Sr 5.000e-04 + Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Anhydrite -0.81 -5.09 -4.28 CaSO4 + Aragonite 0.10 -8.23 -8.34 CaCO3 + Arcanite -7.03 -8.91 -1.88 K2SO4 + Calcite 0.25 -8.23 -8.48 CaCO3 + Celestite -0.15 -6.81 -6.66 SrSO4 + CH4(g) -7.95 -10.75 -2.80 CH4 + CO2(g) -2.09 -3.56 -1.47 CO2 + Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 + Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O + Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O + H2(g) -7.95 -11.05 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + H2S(g) -7.08 -15.02 -7.94 H2S + Halite -3.04 -1.47 1.57 NaCl + Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O + Kieserite -4.08 -5.24 -1.16 MgSO4:H2O + Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O + O2(g) -67.40 -70.29 -2.89 O2 + Strontianite -0.68 -9.95 -9.27 SrCO3 + Sulfur -5.06 -0.18 4.88 S + Sylvite -4.59 -3.69 0.90 KCl + Thenardite -4.16 -4.46 -0.30 Na2SO4 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 18. Solution after simulation 4. +Using surface 18. +Using kinetics 18. + +Kinetics 18. + + Time: 1.02e+07 seconds + Time step: 600000 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + +------------------------------Surface composition------------------------------ + +Diffuse Double Layer Surface-Complexation Model + +Su + -9.107e-11 Surface + diffuse layer charge, eq + -3.770e-01 Surface charge, eq + -3.638e-01 sigma, C/m² + -1.203e-01 psi, V + 4.681e+00 -F*psi/RT + 1.079e+02 exp(-F*psi/RT) + 1.000e+05 specific area, m²/g + 1.000e+05 m² for 1.000e+00 g + + Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. + viscosity: 0.92734 mPa s for DDL water. + + Total moles in diffuse layer (excluding water), Donnan calculation. + Donnan Layer potential, psi_DL = -4.125e-02 V. + Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). + + Element Moles + C 1.6144e-04 + Ca 7.1884e-02 + Cl 4.6636e-10 H 1.2948e-04 - Hto 1.7161e-22 - I 2.8529e-35 + Hto 2.0298e-24 + I 2.5209e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.7643e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -77929,208 +77718,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.454e-21 1.713e-22 - I 2.421e-22 2.852e-23 - K 1.540e-03 1.814e-04 - Mg 1.720e-02 2.026e-03 - Na 2.390e-01 2.816e-02 - Nat 1.491e-24 1.757e-25 - S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 - -----------------------------Description of solution---------------------------- - - pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 - Density (g/cm³) = 1.01108 - Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 - Activity of water = 0.990 - Ionic strength (mol/kgw) = 3.632e-01 - Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 - Total CO2 (mol/kg) = 2.744e-03 - Temperature (°C) = 25.00 - Electrical balance (eq) = 7.157e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (14 overall) - Total H = 1.307864e+01 - Total O = 6.546049e+00 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 - H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.536e-11 - CH4 1.536e-11 1.670e-11 -10.814 -10.777 0.036 35.46 -C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 -Ca 2.590e-02 - Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) -Cl 3.000e-01 - Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.124e-12 8.833e-12 -11.090 -11.054 0.036 28.61 -Hto 1.454e-21 - Hto 1.454e-21 1.454e-21 -20.837 -20.837 0.000 (0) -I 2.421e-22 - I- 2.421e-22 2.421e-22 -21.616 -21.616 -0.000 (0) -K 1.540e-03 - K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 -Mg 1.720e-02 - Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) -Na 2.390e-01 - Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.491e-24 - Nat+ 1.491e-24 1.491e-24 -23.826 -23.826 -0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.408e-08 - HS- 1.684e-08 1.108e-08 -7.774 -7.955 -0.182 21.14 - H2S 7.241e-09 7.872e-09 -8.140 -8.104 0.036 36.27 - S-2 6.837e-14 1.648e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.004e-18 3.266e-18 -17.522 -17.486 0.036 30.09 -S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) -Sr 5.000e-04 - Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - Anhydrite -0.81 -5.09 -4.28 CaSO4 - Aragonite 0.10 -8.23 -8.34 CaCO3 - Arcanite -7.03 -8.91 -1.88 K2SO4 - Calcite 0.25 -8.23 -8.48 CaCO3 - Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 - CO2(g) -2.09 -3.56 -1.47 CO2 - Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 - Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O - Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S - Halite -3.04 -1.47 1.57 NaCl - Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O - Kieserite -4.08 -5.24 -1.16 MgSO4:H2O - Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 - Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S - Sylvite -4.59 -3.69 0.90 KCl - Thenardite -4.16 -4.46 -0.30 Na2SO4 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Using solution 18. Solution after simulation 4. -Using surface 18. -Using kinetics 18. - -Kinetics 18. - - Time: 1.02e+07 seconds - Time step: 600000 seconds - - Rate name Delta Moles Total Moles Reactant Coefficient - - -------------------------------Surface composition------------------------------ - -Diffuse Double Layer Surface-Complexation Model - -Su - -9.079e-11 Surface + diffuse layer charge, eq - -3.770e-01 Surface charge, eq - -3.638e-01 sigma, C/m² - -1.203e-01 psi, V - 4.681e+00 -F*psi/RT - 1.079e+02 exp(-F*psi/RT) - 1.000e+05 specific area, m²/g - 1.000e+05 m² for 1.000e+00 g - - Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. - - Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = -4.125e-02 V. - Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). - - Element Moles - C 1.6144e-04 - Ca 7.1884e-02 - Cl 4.6638e-10 - H 1.2948e-04 - Hto 2.0303e-24 - I 2.5218e-37 - K 8.9156e-04 - Mg 4.6365e-02 - Na 1.3761e-01 - O 1.7087e-03 - S 3.1372e-04 - Sr 1.3747e-03 - -Su - 3.770e-01 moles - Mole Log - Species Moles Fraction Molality Molality - - Su- 3.770e-01 1.000 3.200e+00 0.505 - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - C 2.744e-03 3.233e-04 - Ca 2.590e-02 3.051e-03 - Cl 3.000e-01 3.535e-02 - Hto 1.721e-23 2.027e-24 + Hto 1.720e-23 2.027e-24 I 2.140e-24 2.521e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -78141,18 +77729,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.155e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -78166,8 +77754,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.635e-11 + CH4 1.635e-11 1.778e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -78187,14 +77775,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.125e-12 8.834e-12 -11.090 -11.054 0.036 28.61 -Hto 1.721e-23 - Hto 1.721e-23 1.721e-23 -22.764 -22.764 0.000 (0) +H(0) 1.650e-11 + H2 8.252e-12 8.972e-12 -11.083 -11.047 0.036 28.61 +Hto 1.720e-23 + Hto 1.720e-23 1.720e-23 -22.764 -22.764 0.000 (0) I 2.140e-24 I- 2.140e-24 2.140e-24 -23.670 -23.670 -0.000 (0) K 1.540e-03 @@ -78212,14 +77800,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.409e-08 - HS- 1.684e-08 1.109e-08 -7.774 -7.955 -0.182 21.14 - H2S 7.244e-09 7.875e-09 -8.140 -8.104 0.036 36.27 - S-2 6.839e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.006e-18 3.268e-18 -17.522 -17.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.563e-08 + HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 + H2S 7.708e-09 8.380e-09 -8.113 -8.077 0.036 36.27 + S-2 7.278e-14 1.754e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.404e-18 3.701e-18 -17.468 -17.432 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -78228,14 +77815,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -78246,21 +77833,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -78284,7 +77871,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.079e-11 Surface + diffuse layer charge, eq + -9.107e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -78294,7 +77881,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -78303,7 +77890,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -78335,18 +77922,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.154e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -78360,8 +77947,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.635e-11 + CH4 1.635e-11 1.778e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -78381,12 +77968,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.125e-12 8.834e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.650e-11 + H2 8.252e-12 8.972e-12 -11.083 -11.047 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -78402,14 +77989,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.409e-08 - HS- 1.684e-08 1.109e-08 -7.774 -7.955 -0.182 21.14 - H2S 7.244e-09 7.876e-09 -8.140 -8.104 0.036 36.27 - S-2 6.839e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.006e-18 3.268e-18 -17.522 -17.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.563e-08 + HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 + H2S 7.708e-09 8.380e-09 -8.113 -8.077 0.036 36.27 + S-2 7.278e-14 1.754e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.404e-18 3.701e-18 -17.468 -17.432 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -78418,14 +78004,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -78436,21 +78022,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -78474,7 +78060,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.079e-11 Surface + diffuse layer charge, eq + -9.107e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -78484,7 +78070,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -78493,7 +78079,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -78525,18 +78111,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.157e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -78550,8 +78136,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.635e-11 + CH4 1.635e-11 1.778e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -78571,12 +78157,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.125e-12 8.834e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.650e-11 + H2 8.252e-12 8.972e-12 -11.083 -11.047 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -78592,14 +78178,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.409e-08 - HS- 1.684e-08 1.109e-08 -7.774 -7.955 -0.182 21.14 - H2S 7.243e-09 7.875e-09 -8.140 -8.104 0.036 36.27 - S-2 6.839e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.006e-18 3.268e-18 -17.522 -17.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.563e-08 + HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 + H2S 7.708e-09 8.380e-09 -8.113 -8.077 0.036 36.27 + S-2 7.278e-14 1.754e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.404e-18 3.701e-18 -17.468 -17.432 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -78608,14 +78193,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -78626,21 +78211,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -78664,7 +78249,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.079e-11 Surface + diffuse layer charge, eq + -9.107e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -78674,7 +78259,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -78683,7 +78268,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -78715,18 +78300,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.156e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -78740,8 +78325,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.635e-11 + CH4 1.635e-11 1.778e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -78761,12 +78346,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.125e-12 8.834e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.650e-11 + H2 8.252e-12 8.972e-12 -11.083 -11.047 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -78782,14 +78367,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.409e-08 - HS- 1.684e-08 1.109e-08 -7.774 -7.955 -0.182 21.14 - H2S 7.243e-09 7.875e-09 -8.140 -8.104 0.036 36.27 - S-2 6.839e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.006e-18 3.268e-18 -17.522 -17.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.563e-08 + HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 + H2S 7.708e-09 8.380e-09 -8.113 -8.077 0.036 36.27 + S-2 7.278e-14 1.754e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.404e-18 3.701e-18 -17.468 -17.432 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -78798,14 +78382,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -78816,21 +78400,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -78854,7 +78438,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.079e-11 Surface + diffuse layer charge, eq + -9.107e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -78864,7 +78448,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -78873,7 +78457,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -78905,18 +78489,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.156e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -78930,8 +78514,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.635e-11 + CH4 1.635e-11 1.778e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -78951,12 +78535,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.125e-12 8.834e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.650e-11 + H2 8.252e-12 8.972e-12 -11.083 -11.047 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -78972,14 +78556,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.409e-08 - HS- 1.684e-08 1.109e-08 -7.774 -7.955 -0.182 21.14 - H2S 7.244e-09 7.875e-09 -8.140 -8.104 0.036 36.27 - S-2 6.839e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.006e-18 3.268e-18 -17.522 -17.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.563e-08 + HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 + H2S 7.708e-09 8.380e-09 -8.113 -8.077 0.036 36.27 + S-2 7.278e-14 1.754e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.404e-18 3.701e-18 -17.468 -17.432 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -78988,14 +78571,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -79006,21 +78589,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -79044,7 +78627,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.079e-11 Surface + diffuse layer charge, eq + -9.107e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -79054,7 +78637,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -79063,7 +78646,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -79095,18 +78678,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.153e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -79120,8 +78703,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.635e-11 + CH4 1.635e-11 1.778e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -79141,12 +78724,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.125e-12 8.834e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.650e-11 + H2 8.252e-12 8.972e-12 -11.083 -11.047 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -79162,14 +78745,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.409e-08 - HS- 1.684e-08 1.109e-08 -7.774 -7.955 -0.182 21.14 - H2S 7.244e-09 7.876e-09 -8.140 -8.104 0.036 36.27 - S-2 6.840e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.006e-18 3.269e-18 -17.522 -17.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.563e-08 + HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 + H2S 7.708e-09 8.380e-09 -8.113 -8.077 0.036 36.27 + S-2 7.278e-14 1.754e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.404e-18 3.701e-18 -17.468 -17.432 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -79178,14 +78760,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -79196,21 +78778,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -79240,18 +78822,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -79265,8 +78847,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -79290,8 +78872,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -79311,16 +78893,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -79347,21 +78928,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -79389,18 +78970,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -79414,8 +78995,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -79439,8 +79020,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -79460,16 +79041,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -79496,21 +79076,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -79547,18 +79127,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.929 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.920 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -79572,8 +79152,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.283e-13 - CH4 3.283e-13 3.569e-13 -12.484 -12.447 0.036 35.46 +C(-4) 2.787e-13 + CH4 2.787e-13 3.030e-13 -12.555 -12.519 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -79597,8 +79177,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 6.211e-12 - H2 3.106e-12 3.377e-12 -11.508 -11.472 0.036 28.61 +H(0) 5.962e-12 + H2 2.981e-12 3.241e-12 -11.526 -11.489 0.036 28.61 Hto 6.400e-07 Hto 6.400e-07 6.400e-07 -6.194 -6.194 0.000 (0) I 7.857e-07 @@ -79618,16 +79198,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 4.008e-07 Nat+ 4.008e-07 4.008e-07 -6.397 -6.397 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.482 -69.446 0.036 30.40 -S(-2) 5.146e-10 - HS- 3.598e-10 2.369e-10 -9.444 -9.626 -0.182 21.14 - H2S 1.548e-10 1.683e-10 -9.810 -9.774 0.036 36.27 - S-2 1.460e-15 3.520e-16 -14.836 -15.453 -0.618 (0) - (H2S)2 1.373e-21 1.493e-21 -20.862 -20.826 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.447 -69.410 0.036 30.40 +S(-2) 4.369e-10 + HS- 3.055e-10 2.011e-10 -9.515 -9.697 -0.182 21.14 + H2S 1.314e-10 1.429e-10 -9.881 -9.845 0.036 36.27 + S-2 1.240e-15 2.988e-16 -14.907 -15.525 -0.618 (0) + (H2S)2 9.899e-22 1.076e-21 -21.004 -20.968 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -79654,21 +79233,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.65 -12.45 -2.80 CH4 + CH4(g) -9.72 -12.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.37 -11.47 -3.10 H2 + H2(g) -8.39 -11.49 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.78 -16.72 -7.94 H2S + H2S(g) -8.85 -16.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.55 -69.45 -2.89 O2 + O2(g) -66.52 -69.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.33 -1.45 4.88 S + Sulfur -6.39 -1.51 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -79692,7 +79271,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.248e-13 Surface + diffuse layer charge, eq + -1.215e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -79702,7 +79281,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -79711,7 +79290,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6662e-10 + Cl 4.6663e-10 H 1.2947e-04 Hto 5.8082e-08 I 7.2739e-20 @@ -79749,18 +79328,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.035 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.030 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.981e-09 + Electrical balance (eq) = 1.720e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -79774,8 +79353,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.309e-12 - CH4 2.309e-12 2.510e-12 -11.637 -11.600 0.036 35.46 +C(-4) 2.091e-12 + CH4 2.091e-12 2.273e-12 -11.680 -11.643 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -79785,7 +79364,7 @@ C(4) 2.744e-03 CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -79799,8 +79378,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 1.012e-11 - H2 5.058e-12 5.499e-12 -11.296 -11.260 0.036 28.61 +H(0) 9.868e-12 + H2 4.934e-12 5.364e-12 -11.307 -11.270 0.036 28.61 Hto 4.922e-07 Hto 4.922e-07 4.922e-07 -6.308 -6.308 0.000 (0) I 6.174e-07 @@ -79820,16 +79399,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.096e-07 Nat+ 3.096e-07 3.096e-07 -6.509 -6.509 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.906 -69.869 0.036 30.40 -S(-2) 3.619e-09 - HS- 2.530e-09 1.666e-09 -8.597 -8.778 -0.182 21.14 - H2S 1.089e-09 1.184e-09 -8.963 -8.927 0.036 36.27 - S-2 1.027e-14 2.475e-15 -13.988 -14.606 -0.618 (0) - (H2S)2 6.791e-20 7.383e-20 -19.168 -19.132 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.884 -69.848 0.036 30.40 +S(-2) 3.278e-09 + HS- 2.292e-09 1.509e-09 -8.640 -8.821 -0.182 21.14 + H2S 9.861e-10 1.072e-09 -9.006 -8.970 0.036 36.27 + S-2 9.300e-15 2.242e-15 -14.032 -14.649 -0.618 (0) + (H2S)2 5.571e-20 6.056e-20 -19.254 -19.218 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -79856,21 +79434,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.80 -11.60 -2.80 CH4 + CH4(g) -8.84 -11.64 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.16 -11.26 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.93 -15.87 -7.94 H2S + H2S(g) -7.98 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.98 -69.87 -2.89 O2 + O2(g) -66.96 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.70 -0.82 4.88 S + Sulfur -5.73 -0.85 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -79894,7 +79472,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.082e-11 Surface + diffuse layer charge, eq + -9.068e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -79904,23 +79482,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6145e-04 + C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6643e-10 + Cl 4.6644e-10 H 1.2948e-04 Hto 2.3627e-08 I 2.6457e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.5483e-08 + Nat 5.5481e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -79951,18 +79529,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.127 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.125 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.509e-09 + Electrical balance (eq) = 4.894e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -79976,8 +79554,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.256e-11 - CH4 1.256e-11 1.366e-11 -10.901 -10.865 0.036 35.46 +C(-4) 1.214e-11 + CH4 1.214e-11 1.320e-11 -10.916 -10.879 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -79986,23 +79564,23 @@ C(4) 2.744e-03 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.545e-11 - H2 7.725e-12 8.399e-12 -11.112 -11.076 0.036 28.61 + HCl 3.953e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.532e-11 + H2 7.660e-12 8.328e-12 -11.116 -11.079 0.036 28.61 Hto 2.002e-07 Hto 2.002e-07 2.002e-07 -6.698 -6.698 0.000 (0) I 2.246e-07 @@ -80016,22 +79594,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.628e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 9.441e-08 Nat+ 9.441e-08 9.441e-08 -7.025 -7.025 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.274 -70.237 0.036 30.40 -S(-2) 1.969e-08 - HS- 1.376e-08 9.062e-09 -7.861 -8.043 -0.182 21.14 - H2S 5.920e-09 6.437e-09 -8.228 -8.191 0.036 36.27 - S-2 5.589e-14 1.347e-14 -13.253 -13.871 -0.618 (0) - (H2S)2 2.008e-18 2.183e-18 -17.697 -17.661 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.266 -70.230 0.036 30.40 +S(-2) 1.903e-08 + HS- 1.331e-08 8.761e-09 -7.876 -8.057 -0.182 21.14 + H2S 5.724e-09 6.224e-09 -8.242 -8.206 0.036 36.27 + S-2 5.403e-14 1.302e-14 -13.267 -13.885 -0.618 (0) + (H2S)2 1.877e-18 2.041e-18 -17.726 -17.690 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -80040,14 +79617,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.309e-08 9.562e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -80058,21 +79635,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.06 -10.86 -2.80 CH4 + CH4(g) -8.08 -10.88 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.97 -11.08 -3.10 H2 + H2(g) -7.98 -11.08 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.20 -15.13 -7.94 H2S + H2S(g) -7.21 -15.15 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.34 -70.24 -2.89 O2 + O2(g) -67.34 -70.23 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.15 -0.27 4.88 S + Sulfur -5.16 -0.28 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -80096,7 +79673,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.143e-11 Surface + diffuse layer charge, eq + -9.146e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -80106,7 +79683,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -80115,14 +79692,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6637e-10 H 1.2948e-04 - Hto 6.7063e-09 - I 6.5786e-21 + Hto 6.7061e-09 + I 6.5777e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0553e-08 + Nat 1.0552e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -80146,25 +79723,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.796e-08 2.116e-09 + Nat 1.796e-08 2.115e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.140 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.292e-10 + Electrical balance (eq) = 2.791e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -80178,8 +79755,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.538e-11 - CH4 1.538e-11 1.672e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.574e-11 + CH4 1.574e-11 1.711e-11 -10.803 -10.767 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -80199,12 +79776,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.127e-12 8.836e-12 -11.090 -11.054 0.036 28.61 +H(0) 1.635e-11 + H2 8.173e-12 8.886e-12 -11.088 -11.051 0.036 28.61 Hto 5.683e-08 Hto 5.683e-08 5.683e-08 -7.245 -7.245 0.000 (0) I 5.583e-08 @@ -80224,16 +79801,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.796e-08 Nat+ 1.796e-08 1.796e-08 -7.746 -7.746 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.318 -70.281 0.036 30.40 -S(-2) 2.411e-08 - HS- 1.686e-08 1.110e-08 -7.773 -7.955 -0.182 21.14 - H2S 7.250e-09 7.883e-09 -8.140 -8.103 0.036 36.27 - S-2 6.846e-14 1.650e-14 -13.165 -13.782 -0.618 (0) - (H2S)2 3.012e-18 3.274e-18 -17.521 -17.485 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.323 -70.286 0.036 30.40 +S(-2) 2.466e-08 + HS- 1.725e-08 1.135e-08 -7.763 -7.945 -0.182 21.14 + H2S 7.417e-09 8.064e-09 -8.130 -8.093 0.036 36.27 + S-2 7.003e-14 1.688e-14 -13.155 -13.773 -0.618 (0) + (H2S)2 3.152e-18 3.427e-18 -17.501 -17.465 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -80243,13 +79819,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -80260,21 +79836,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.97 -10.78 -2.80 CH4 + CH4(g) -7.96 -10.77 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.04 -7.94 H2S + H2S(g) -7.10 -15.04 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.39 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.07 -0.19 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -80298,7 +79874,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.127e-11 Surface + diffuse layer charge, eq + -9.150e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -80308,7 +79884,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -80317,14 +79893,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6637e-10 + Cl 4.6635e-10 H 1.2948e-04 Hto 1.4021e-09 - I 1.1907e-21 + I 1.1905e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4028e-09 + Nat 1.4027e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -80355,18 +79931,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.141 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.144 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.241e-10 + Electrical balance (eq) = 2.778e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -80377,18 +79953,18 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.617e-11 - CH4 1.617e-11 1.758e-11 -10.791 -10.755 0.036 35.46 +C(-4) 1.700e-11 + CH4 1.700e-11 1.849e-11 -10.769 -10.733 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -80399,14 +79975,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.646e-11 - H2 8.229e-12 8.947e-12 -11.085 -11.048 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.667e-11 + H2 8.333e-12 9.060e-12 -11.079 -11.043 0.036 28.61 Hto 1.188e-08 Hto 1.188e-08 1.188e-08 -7.925 -7.925 0.000 (0) I 1.011e-08 @@ -80426,16 +80002,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.387e-09 Nat+ 2.387e-09 2.387e-09 -8.622 -8.622 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.328 -70.292 0.036 30.40 -S(-2) 2.534e-08 - HS- 1.772e-08 1.167e-08 -7.751 -7.933 -0.182 21.14 - H2S 7.621e-09 8.286e-09 -8.118 -8.082 0.036 36.27 - S-2 7.197e-14 1.735e-14 -13.143 -13.761 -0.618 (0) - (H2S)2 3.328e-18 3.618e-18 -17.478 -17.442 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.339 -70.303 0.036 30.40 +S(-2) 2.665e-08 + HS- 1.864e-08 1.227e-08 -7.730 -7.911 -0.182 21.14 + H2S 8.014e-09 8.713e-09 -8.096 -8.060 0.036 36.27 + S-2 7.568e-14 1.824e-14 -13.121 -13.739 -0.618 (0) + (H2S)2 3.680e-18 4.001e-18 -17.434 -17.398 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -80462,21 +80037,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.93 -10.73 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.09 -15.02 -7.94 H2S + H2S(g) -7.07 -15.00 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.29 -2.89 O2 + O2(g) -67.41 -70.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.07 -0.18 4.88 S + Sulfur -5.05 -0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -80500,7 +80075,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.113e-11 Surface + diffuse layer charge, eq + -9.142e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -80510,7 +80085,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -80519,14 +80094,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 2.2421e-10 + Hto 2.2420e-10 I 1.6368e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3861e-10 + Nat 1.3860e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -80550,25 +80125,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.359e-10 2.779e-11 + Nat 2.358e-10 2.778e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.242e-10 + Electrical balance (eq) = 2.784e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -80579,21 +80154,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.635e-11 - CH4 1.635e-11 1.777e-11 -10.787 -10.750 0.036 35.46 +C(-4) 1.731e-11 + CH4 1.731e-11 1.882e-11 -10.762 -10.725 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -80601,14 +80176,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.650e-11 - H2 8.252e-12 8.971e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.674e-11 + H2 8.371e-12 9.101e-12 -11.077 -11.041 0.036 28.61 Hto 1.900e-09 Hto 1.900e-09 1.900e-09 -8.721 -8.721 0.000 (0) I 1.389e-09 @@ -80628,16 +80203,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.359e-10 - Nat+ 2.359e-10 2.359e-10 -9.627 -9.627 -0.000 (0) +Nat 2.358e-10 + Nat+ 2.358e-10 2.358e-10 -9.627 -9.627 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.294 0.036 30.40 -S(-2) 2.562e-08 - HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 - H2S 7.705e-09 8.377e-09 -8.113 -8.077 0.036 36.27 - S-2 7.276e-14 1.754e-14 -13.138 -13.756 -0.618 (0) - (H2S)2 3.401e-18 3.698e-18 -17.468 -17.432 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.343 -70.307 0.036 30.40 +S(-2) 2.713e-08 + HS- 1.897e-08 1.249e-08 -7.722 -7.903 -0.182 21.14 + H2S 8.159e-09 8.870e-09 -8.088 -8.052 0.036 36.27 + S-2 7.705e-14 1.857e-14 -13.113 -13.731 -0.618 (0) + (H2S)2 3.814e-18 4.146e-18 -17.419 -17.382 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -80646,7 +80220,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -80664,21 +80238,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.73 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.29 -2.89 O2 + O2(g) -67.41 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -80702,7 +80276,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.109e-11 Surface + diffuse layer charge, eq + -9.137e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -80712,7 +80286,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -80721,14 +80295,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 2.8130e-11 - I 1.7578e-23 + Hto 2.8128e-11 + I 1.7574e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0565e-11 + Nat 1.0563e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -80752,25 +80326,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.798e-11 2.118e-12 + Nat 1.797e-11 2.118e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.248e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -80781,21 +80355,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.635e-11 - CH4 1.635e-11 1.777e-11 -10.787 -10.750 0.036 35.46 +C(-4) 1.733e-11 + CH4 1.733e-11 1.884e-11 -10.761 -10.725 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -80803,14 +80377,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.650e-11 - H2 8.252e-12 8.971e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.675e-11 + H2 8.373e-12 9.103e-12 -11.077 -11.041 0.036 28.61 Hto 2.384e-10 Hto 2.384e-10 2.384e-10 -9.623 -9.623 0.000 (0) I 1.492e-10 @@ -80830,16 +80404,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.798e-11 - Nat+ 1.798e-11 1.798e-11 -10.745 -10.745 -0.000 (0) +Nat 1.797e-11 + Nat+ 1.797e-11 1.797e-11 -10.745 -10.745 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.294 0.036 30.40 -S(-2) 2.562e-08 - HS- 1.792e-08 1.180e-08 -7.747 -7.928 -0.182 21.14 - H2S 7.705e-09 8.377e-09 -8.113 -8.077 0.036 36.27 - S-2 7.276e-14 1.754e-14 -13.138 -13.756 -0.618 (0) - (H2S)2 3.401e-18 3.698e-18 -17.468 -17.432 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.307 0.036 30.40 +S(-2) 2.716e-08 + HS- 1.900e-08 1.250e-08 -7.721 -7.903 -0.182 21.14 + H2S 8.168e-09 8.881e-09 -8.088 -8.052 0.036 36.27 + S-2 7.714e-14 1.859e-14 -13.113 -13.731 -0.618 (0) + (H2S)2 3.823e-18 4.156e-18 -17.418 -17.381 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -80848,7 +80421,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -80866,21 +80439,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.29 -2.89 O2 + O2(g) -67.41 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -80904,7 +80477,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.106e-11 Surface + diffuse layer charge, eq + -9.134e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -80914,7 +80487,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -80923,14 +80496,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6637e-10 + Cl 4.6635e-10 H 1.2948e-04 - Hto 2.8167e-12 + Hto 2.8164e-12 I 1.5013e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3560e-13 + Nat 6.3549e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -80954,25 +80527,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.082e-12 1.274e-13 + Nat 1.081e-12 1.274e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.141 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.144 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.248e-10 + Electrical balance (eq) = 2.787e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -80983,18 +80556,18 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.616e-11 - CH4 1.616e-11 1.757e-11 -10.792 -10.755 0.036 35.46 +C(-4) 1.715e-11 + CH4 1.715e-11 1.864e-11 -10.766 -10.729 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -81005,14 +80578,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.646e-11 - H2 8.228e-12 8.945e-12 -11.085 -11.048 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.670e-11 + H2 8.350e-12 9.079e-12 -11.078 -11.042 0.036 28.61 Hto 2.387e-11 Hto 2.387e-11 2.387e-11 -10.622 -10.622 0.000 (0) I 1.274e-11 @@ -81032,16 +80605,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.082e-12 - Nat+ 1.082e-12 1.082e-12 -11.966 -11.966 -0.000 (0) +Nat 1.081e-12 + Nat+ 1.081e-12 1.081e-12 -11.966 -11.966 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.328 -70.292 0.036 30.40 -S(-2) 2.533e-08 - HS- 1.771e-08 1.166e-08 -7.752 -7.933 -0.182 21.14 - H2S 7.617e-09 8.281e-09 -8.118 -8.082 0.036 36.27 - S-2 7.192e-14 1.734e-14 -13.143 -13.761 -0.618 (0) - (H2S)2 3.324e-18 3.614e-18 -17.478 -17.442 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.341 -70.305 0.036 30.40 +S(-2) 2.687e-08 + HS- 1.879e-08 1.237e-08 -7.726 -7.908 -0.182 21.14 + H2S 8.081e-09 8.786e-09 -8.093 -8.056 0.036 36.27 + S-2 7.631e-14 1.839e-14 -13.117 -13.735 -0.618 (0) + (H2S)2 3.741e-18 4.068e-18 -17.427 -17.391 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -81050,14 +80622,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -81068,21 +80640,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.76 -2.80 CH4 + CH4(g) -7.93 -10.73 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.09 -15.02 -7.94 H2S + H2S(g) -7.06 -15.00 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.29 -2.89 O2 + O2(g) -67.41 -70.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.07 -0.18 4.88 S + Sulfur -5.05 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -81106,7 +80678,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.091e-11 Surface + diffuse layer charge, eq + -9.119e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -81116,7 +80688,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -81125,14 +80697,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 2.2752e-13 - I 1.0327e-25 + Hto 2.2749e-13 + I 1.0325e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0617e-14 + Nat 3.0611e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -81151,30 +80723,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.928e-12 2.272e-13 + Hto 1.928e-12 2.271e-13 I 8.765e-13 1.033e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.210e-14 6.138e-15 + Nat 5.209e-14 6.136e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.139 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.143 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.139e-09 + Electrical balance (eq) = 7.910e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -81188,15 +80760,15 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.563e-11 - CH4 1.563e-11 1.699e-11 -10.806 -10.770 0.036 35.46 +C(-4) 1.661e-11 + CH4 1.661e-11 1.806e-11 -10.780 -10.743 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -81207,14 +80779,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.632e-11 - H2 8.159e-12 8.871e-12 -11.088 -11.052 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.657e-11 + H2 8.285e-12 9.008e-12 -11.082 -11.045 0.036 28.61 Hto 1.928e-12 Hto 1.928e-12 1.928e-12 -11.715 -11.715 0.000 (0) I 8.765e-13 @@ -81234,16 +80806,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.210e-14 - Nat+ 5.210e-14 5.210e-14 -13.283 -13.283 -0.000 (0) +Nat 5.209e-14 + Nat+ 5.209e-14 5.209e-14 -13.283 -13.283 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.321 -70.285 0.036 30.40 -S(-2) 2.449e-08 - HS- 1.713e-08 1.128e-08 -7.766 -7.948 -0.182 21.14 - H2S 7.366e-09 8.008e-09 -8.133 -8.096 0.036 36.27 - S-2 6.955e-14 1.676e-14 -13.158 -13.776 -0.618 (0) - (H2S)2 3.108e-18 3.380e-18 -17.507 -17.471 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.334 -70.298 0.036 30.40 +S(-2) 2.604e-08 + HS- 1.821e-08 1.199e-08 -7.740 -7.921 -0.182 21.14 + H2S 7.830e-09 8.513e-09 -8.106 -8.070 0.036 36.27 + S-2 7.394e-14 1.782e-14 -13.131 -13.749 -0.618 (0) + (H2S)2 3.513e-18 3.819e-18 -17.454 -17.418 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -81252,14 +80823,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -81270,21 +80841,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.97 -10.77 -2.80 CH4 + CH4(g) -7.94 -10.74 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.10 -15.04 -7.94 H2S + H2S(g) -7.08 -15.01 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.41 -70.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.19 4.88 S + Sulfur -5.06 -0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -81308,7 +80879,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.082e-11 Surface + diffuse layer charge, eq + -9.110e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -81318,7 +80889,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -81327,14 +80898,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 1.4910e-14 + Hto 1.4908e-14 I 5.7524e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1902e-15 + Nat 1.1899e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -81353,30 +80924,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.264e-13 1.489e-14 + Hto 1.263e-13 1.488e-14 I 4.883e-14 5.752e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.025e-15 2.386e-16 + Nat 2.025e-15 2.385e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.187e-09 + Electrical balance (eq) = 8.408e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -81390,15 +80961,15 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.541e-11 - CH4 1.541e-11 1.676e-11 -10.812 -10.776 0.036 35.46 +C(-4) 1.640e-11 + CH4 1.640e-11 1.783e-11 -10.785 -10.749 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -81409,16 +80980,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.626e-11 - H2 8.131e-12 8.840e-12 -11.090 -11.054 0.036 28.61 -Hto 1.264e-13 - Hto 1.264e-13 1.264e-13 -12.898 -12.898 0.000 (0) +H(0) 1.652e-11 + H2 8.258e-12 8.978e-12 -11.083 -11.047 0.036 28.61 +Hto 1.263e-13 + Hto 1.263e-13 1.263e-13 -12.898 -12.898 0.000 (0) I 4.883e-14 I- 4.883e-14 4.883e-14 -13.311 -13.311 -0.000 (0) K 1.540e-03 @@ -81436,16 +81007,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.025e-15 Nat+ 2.025e-15 2.025e-15 -14.694 -14.694 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.318 -70.282 0.036 30.40 -S(-2) 2.416e-08 - HS- 1.689e-08 1.112e-08 -7.772 -7.954 -0.182 21.14 - H2S 7.265e-09 7.899e-09 -8.139 -8.102 0.036 36.27 - S-2 6.860e-14 1.654e-14 -13.164 -13.782 -0.618 (0) - (H2S)2 3.024e-18 3.288e-18 -17.519 -17.483 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.570e-08 + HS- 1.797e-08 1.183e-08 -7.745 -7.927 -0.182 21.14 + H2S 7.729e-09 8.404e-09 -8.112 -8.076 0.036 36.27 + S-2 7.298e-14 1.759e-14 -13.137 -13.755 -0.618 (0) + (H2S)2 3.423e-18 3.721e-18 -17.466 -17.429 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -81454,14 +81024,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -81472,21 +81042,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.97 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.04 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -81510,7 +81080,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.080e-11 Surface + diffuse layer charge, eq + -9.108e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -81520,7 +81090,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -81529,14 +81099,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 7.9375e-16 - I 2.5998e-28 + Hto 7.9363e-16 + I 2.6008e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.7437e-17 + Nat 3.7427e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -81555,30 +81125,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.727e-15 7.925e-16 + Hto 6.726e-15 7.924e-16 I 2.207e-15 2.600e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.370e-17 7.505e-18 + Nat 6.369e-17 7.503e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.304e-10 + Electrical balance (eq) = 3.845e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -81592,8 +81162,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.636e-11 + CH4 1.636e-11 1.779e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -81613,14 +81183,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.126e-12 8.834e-12 -11.090 -11.054 0.036 28.61 -Hto 6.727e-15 - Hto 6.727e-15 6.727e-15 -14.172 -14.172 0.000 (0) +H(0) 1.651e-11 + H2 8.253e-12 8.973e-12 -11.083 -11.047 0.036 28.61 +Hto 6.726e-15 + Hto 6.726e-15 6.726e-15 -14.172 -14.172 0.000 (0) I 2.207e-15 I- 2.207e-15 2.207e-15 -14.656 -14.656 -0.000 (0) K 1.540e-03 @@ -81638,16 +81208,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 6.370e-17 - Nat+ 6.370e-17 6.370e-17 -16.196 -16.196 -0.000 (0) +Nat 6.369e-17 + Nat+ 6.369e-17 6.369e-17 -16.196 -16.196 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.409e-08 - HS- 1.685e-08 1.109e-08 -7.773 -7.955 -0.182 21.14 - H2S 7.246e-09 7.878e-09 -8.140 -8.104 0.036 36.27 - S-2 6.841e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.008e-18 3.270e-18 -17.522 -17.485 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.564e-08 + HS- 1.793e-08 1.180e-08 -7.746 -7.928 -0.182 21.14 + H2S 7.710e-09 8.383e-09 -8.113 -8.077 0.036 36.27 + S-2 7.280e-14 1.755e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.406e-18 3.703e-18 -17.468 -17.431 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -81656,14 +81225,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -81674,21 +81243,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -81712,7 +81281,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.080e-11 Surface + diffuse layer charge, eq + -9.108e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -81722,7 +81291,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -81731,14 +81300,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 3.4219e-17 - I 9.5079e-30 + Hto 3.4213e-17 + I 9.5110e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.5077e-19 + Nat 9.5050e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -81757,30 +81326,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.900e-16 3.416e-17 + Hto 2.899e-16 3.416e-17 I 8.071e-17 9.508e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.618e-18 1.906e-19 + Nat 1.617e-18 1.905e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.160e-10 + Electrical balance (eq) = 3.702e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -81794,15 +81363,15 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.537e-11 - CH4 1.537e-11 1.671e-11 -10.813 -10.777 0.036 35.46 +C(-4) 1.636e-11 + CH4 1.636e-11 1.779e-11 -10.786 -10.750 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -81813,16 +81382,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.625e-11 - H2 8.126e-12 8.834e-12 -11.090 -11.054 0.036 28.61 -Hto 2.900e-16 - Hto 2.900e-16 2.900e-16 -15.538 -15.538 0.000 (0) +H(0) 1.651e-11 + H2 8.253e-12 8.973e-12 -11.083 -11.047 0.036 28.61 +Hto 2.899e-16 + Hto 2.899e-16 2.899e-16 -15.538 -15.538 0.000 (0) I 8.071e-17 I- 8.071e-17 8.071e-17 -16.093 -16.093 -0.000 (0) K 1.540e-03 @@ -81840,16 +81409,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.618e-18 - Nat+ 1.618e-18 1.618e-18 -17.791 -17.791 -0.000 (0) +Nat 1.617e-18 + Nat+ 1.617e-18 1.617e-18 -17.791 -17.791 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.317 -70.281 0.036 30.40 -S(-2) 2.410e-08 - HS- 1.685e-08 1.109e-08 -7.773 -7.955 -0.182 21.14 - H2S 7.246e-09 7.878e-09 -8.140 -8.104 0.036 36.27 - S-2 6.842e-14 1.649e-14 -13.165 -13.783 -0.618 (0) - (H2S)2 3.008e-18 3.271e-18 -17.522 -17.485 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 +S(-2) 2.564e-08 + HS- 1.793e-08 1.180e-08 -7.746 -7.928 -0.182 21.14 + H2S 7.710e-09 8.383e-09 -8.113 -8.077 0.036 36.27 + S-2 7.281e-14 1.755e-14 -13.138 -13.756 -0.618 (0) + (H2S)2 3.406e-18 3.703e-18 -17.468 -17.431 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -81858,14 +81426,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -81876,21 +81444,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.98 -10.78 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.05 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -81914,7 +81482,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.083e-11 Surface + diffuse layer charge, eq + -9.112e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -81924,7 +81492,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -81933,14 +81501,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6638e-10 + Cl 4.6636e-10 H 1.2948e-04 - Hto 1.1852e-18 + Hto 1.1849e-18 I 2.7921e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9354e-20 + Nat 1.9348e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -81964,25 +81532,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.293e-20 3.880e-21 + Nat 3.292e-20 3.879e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.139 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.208e-09 + Electrical balance (eq) = 1.863e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -81996,15 +81564,15 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.548e-11 - CH4 1.548e-11 1.683e-11 -10.810 -10.774 0.036 35.46 +C(-4) 1.647e-11 + CH4 1.647e-11 1.791e-11 -10.783 -10.747 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -82015,14 +81583,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.628e-11 - H2 8.140e-12 8.850e-12 -11.089 -11.053 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.653e-11 + H2 8.267e-12 8.988e-12 -11.083 -11.046 0.036 28.61 Hto 1.004e-17 Hto 1.004e-17 1.004e-17 -16.998 -16.998 0.000 (0) I 2.370e-18 @@ -82042,16 +81610,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.293e-20 - Nat+ 3.293e-20 3.293e-20 -19.482 -19.482 -0.000 (0) +Nat 3.292e-20 + Nat+ 3.292e-20 3.292e-20 -19.482 -19.482 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.319 -70.283 0.036 30.40 -S(-2) 2.427e-08 - HS- 1.697e-08 1.117e-08 -7.770 -7.952 -0.182 21.14 - H2S 7.298e-09 7.934e-09 -8.137 -8.100 0.036 36.27 - S-2 6.890e-14 1.661e-14 -13.162 -13.780 -0.618 (0) - (H2S)2 3.051e-18 3.317e-18 -17.516 -17.479 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.332 -70.296 0.036 30.40 +S(-2) 2.581e-08 + HS- 1.805e-08 1.188e-08 -7.744 -7.925 -0.182 21.14 + H2S 7.762e-09 8.439e-09 -8.110 -8.074 0.036 36.27 + S-2 7.329e-14 1.767e-14 -13.135 -13.753 -0.618 (0) + (H2S)2 3.452e-18 3.753e-18 -17.462 -17.426 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -82060,14 +81627,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -82078,21 +81645,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.97 -10.77 -2.80 CH4 + CH4(g) -7.95 -10.75 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.04 -7.94 H2S + H2S(g) -7.08 -15.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.39 -70.28 -2.89 O2 + O2(g) -67.40 -70.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -82116,7 +81683,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.099e-11 Surface + diffuse layer charge, eq + -9.127e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -82126,7 +81693,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -82135,14 +81702,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6635e-10 H 1.2948e-04 - Hto 3.2519e-20 + Hto 3.2512e-20 I 6.4902e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.1151e-22 + Nat 3.1141e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -82161,30 +81728,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.756e-19 3.247e-20 + Hto 2.755e-19 3.246e-20 I 5.508e-20 6.490e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.301e-22 6.245e-23 + Nat 5.299e-22 6.243e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.141 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.251e-10 + Electrical balance (eq) = 2.790e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -82195,18 +81762,18 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.623e-11 - CH4 1.623e-11 1.765e-11 -10.790 -10.753 0.036 35.46 +C(-4) 1.722e-11 + CH4 1.722e-11 1.872e-11 -10.764 -10.728 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -82217,16 +81784,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.647e-11 - H2 8.237e-12 8.955e-12 -11.084 -11.048 0.036 28.61 -Hto 2.756e-19 - Hto 2.756e-19 2.756e-19 -18.560 -18.560 0.000 (0) + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.672e-11 + H2 8.359e-12 9.089e-12 -11.078 -11.042 0.036 28.61 +Hto 2.755e-19 + Hto 2.755e-19 2.755e-19 -18.560 -18.560 0.000 (0) I 5.508e-20 I- 5.508e-20 5.508e-20 -19.259 -19.259 -0.000 (0) K 1.540e-03 @@ -82244,16 +81811,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.301e-22 - Nat+ 5.301e-22 5.301e-22 -21.276 -21.276 -0.000 (0) +Nat 5.299e-22 + Nat+ 5.299e-22 5.299e-22 -21.276 -21.276 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.329 -70.293 0.036 30.40 -S(-2) 2.544e-08 - HS- 1.779e-08 1.171e-08 -7.750 -7.931 -0.182 21.14 - H2S 7.651e-09 8.319e-09 -8.116 -8.080 0.036 36.27 - S-2 7.224e-14 1.741e-14 -13.141 -13.759 -0.618 (0) - (H2S)2 3.354e-18 3.646e-18 -17.474 -17.438 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.342 -70.306 0.036 30.40 +S(-2) 2.699e-08 + HS- 1.887e-08 1.242e-08 -7.724 -7.906 -0.182 21.14 + H2S 8.115e-09 8.823e-09 -8.091 -8.054 0.036 36.27 + S-2 7.663e-14 1.847e-14 -13.116 -13.733 -0.618 (0) + (H2S)2 3.773e-18 4.102e-18 -17.423 -17.387 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -82262,7 +81828,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -82280,21 +81846,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.93 -10.73 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.09 -15.02 -7.94 H2S + H2S(g) -7.06 -15.00 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.29 -2.89 O2 + O2(g) -67.41 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -82318,7 +81884,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.136e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -82328,7 +81894,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -82337,14 +81903,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 6.9113e-22 + Hto 6.9097e-22 I 1.1677e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8320e-24 + Nat 3.8306e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -82363,30 +81929,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.857e-21 6.900e-22 + Hto 5.856e-21 6.899e-22 I 9.910e-22 1.168e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.520e-24 7.682e-25 + Nat 6.518e-24 7.679e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.249e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -82397,21 +81963,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.638e-11 - CH4 1.638e-11 1.781e-11 -10.786 -10.749 0.036 35.46 +C(-4) 1.736e-11 + CH4 1.736e-11 1.888e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -82419,16 +81985,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.255e-12 8.975e-12 -11.083 -11.047 0.036 28.61 -Hto 5.857e-21 - Hto 5.857e-21 5.857e-21 -20.232 -20.232 0.000 (0) + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.675e-11 + H2 8.377e-12 9.107e-12 -11.077 -11.041 0.036 28.61 +Hto 5.856e-21 + Hto 5.856e-21 5.856e-21 -20.232 -20.232 0.000 (0) I 9.910e-22 I- 9.910e-22 9.910e-22 -21.004 -21.004 -0.000 (0) K 1.540e-03 @@ -82446,16 +82012,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 6.520e-24 - Nat+ 6.520e-24 6.520e-24 -23.186 -23.186 -0.000 (0) +Nat 6.518e-24 + Nat+ 6.518e-24 6.518e-24 -23.186 -23.186 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.567e-08 - HS- 1.795e-08 1.182e-08 -7.746 -7.928 -0.182 21.14 - H2S 7.719e-09 8.392e-09 -8.112 -8.076 0.036 36.27 - S-2 7.289e-14 1.757e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.413e-18 3.711e-18 -17.467 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.721e-08 + HS- 1.903e-08 1.253e-08 -7.721 -7.902 -0.182 21.14 + H2S 8.183e-09 8.897e-09 -8.087 -8.051 0.036 36.27 + S-2 7.728e-14 1.863e-14 -13.112 -13.730 -0.618 (0) + (H2S)2 3.836e-18 4.171e-18 -17.416 -17.380 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -82464,7 +82029,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -82482,21 +82047,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.29 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -82520,7 +82085,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.136e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -82530,7 +82095,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -82539,10 +82104,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 1.0962e-23 - I 1.5357e-36 + Hto 1.0960e-23 + I 1.5355e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -82564,7 +82129,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.290e-23 1.094e-23 + Hto 9.288e-23 1.094e-23 I 1.303e-23 1.535e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -82575,18 +82140,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.247e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -82597,21 +82162,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.639e-11 - CH4 1.639e-11 1.782e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.737e-11 + CH4 1.737e-11 1.889e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -82619,16 +82184,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.257e-12 8.977e-12 -11.083 -11.047 0.036 28.61 -Hto 9.290e-23 - Hto 9.290e-23 9.290e-23 -22.032 -22.032 0.000 (0) + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.378e-12 9.109e-12 -11.077 -11.041 0.036 28.61 +Hto 9.288e-23 + Hto 9.288e-23 9.288e-23 -22.032 -22.032 0.000 (0) I 1.303e-23 I- 1.303e-23 1.303e-23 -22.885 -22.885 -0.000 (0) K 1.540e-03 @@ -82646,14 +82211,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.568e-08 - HS- 1.796e-08 1.182e-08 -7.746 -7.927 -0.182 21.14 - H2S 7.724e-09 8.398e-09 -8.112 -8.076 0.036 36.27 - S-2 7.293e-14 1.758e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.418e-18 3.716e-18 -17.466 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.723e-08 + HS- 1.904e-08 1.253e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.188e-09 8.902e-09 -8.087 -8.050 0.036 36.27 + S-2 7.732e-14 1.864e-14 -13.112 -13.730 -0.618 (0) + (H2S)2 3.841e-18 4.176e-18 -17.416 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -82662,7 +82226,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -82680,21 +82244,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -82718,7 +82282,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.136e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -82728,7 +82292,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -82737,9 +82301,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 1.0823e-25 + Hto 1.0820e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -82761,7 +82325,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.172e-25 1.081e-25 + Hto 9.170e-25 1.080e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -82771,18 +82335,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.246e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -82793,21 +82357,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.639e-11 - CH4 1.639e-11 1.782e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.737e-11 + CH4 1.737e-11 1.889e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -82815,16 +82379,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.257e-12 8.977e-12 -11.083 -11.047 0.036 28.61 -Hto 9.172e-25 - Hto 9.172e-25 9.172e-25 -24.038 -24.038 0.000 (0) + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.378e-12 9.109e-12 -11.077 -11.041 0.036 28.61 +Hto 9.170e-25 + Hto 9.170e-25 9.170e-25 -24.038 -24.038 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -82840,14 +82404,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.569e-08 - HS- 1.796e-08 1.182e-08 -7.746 -7.927 -0.182 21.14 - H2S 7.724e-09 8.398e-09 -8.112 -8.076 0.036 36.27 - S-2 7.294e-14 1.758e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.418e-18 3.716e-18 -17.466 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.723e-08 + HS- 1.904e-08 1.254e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.188e-09 8.902e-09 -8.087 -8.050 0.036 36.27 + S-2 7.732e-14 1.864e-14 -13.112 -13.730 -0.618 (0) + (H2S)2 3.841e-18 4.176e-18 -17.416 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -82856,7 +82419,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -82874,21 +82437,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -82912,7 +82475,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.136e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -82922,7 +82485,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -82931,7 +82494,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -82963,18 +82526,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.249e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -82985,21 +82548,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.639e-11 - CH4 1.639e-11 1.782e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.737e-11 + CH4 1.737e-11 1.889e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -83007,14 +82570,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.256e-12 8.977e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.378e-12 9.109e-12 -11.077 -11.041 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -83030,14 +82593,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.568e-08 - HS- 1.796e-08 1.182e-08 -7.746 -7.927 -0.182 21.14 - H2S 7.724e-09 8.398e-09 -8.112 -8.076 0.036 36.27 - S-2 7.293e-14 1.758e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.418e-18 3.716e-18 -17.466 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.723e-08 + HS- 1.904e-08 1.254e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.188e-09 8.902e-09 -8.087 -8.050 0.036 36.27 + S-2 7.732e-14 1.864e-14 -13.112 -13.730 -0.618 (0) + (H2S)2 3.841e-18 4.176e-18 -17.416 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -83046,7 +82608,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -83064,21 +82626,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -83102,7 +82664,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.136e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -83112,7 +82674,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -83121,7 +82683,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -83153,18 +82715,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.248e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -83175,21 +82737,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.639e-11 - CH4 1.639e-11 1.782e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.737e-11 + CH4 1.737e-11 1.889e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -83197,14 +82759,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.256e-12 8.977e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.378e-12 9.109e-12 -11.077 -11.041 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -83220,14 +82782,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.568e-08 - HS- 1.796e-08 1.182e-08 -7.746 -7.927 -0.182 21.14 - H2S 7.724e-09 8.398e-09 -8.112 -8.076 0.036 36.27 - S-2 7.293e-14 1.758e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.418e-18 3.716e-18 -17.466 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.723e-08 + HS- 1.904e-08 1.254e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.188e-09 8.902e-09 -8.087 -8.050 0.036 36.27 + S-2 7.732e-14 1.864e-14 -13.112 -13.730 -0.618 (0) + (H2S)2 3.841e-18 4.176e-18 -17.416 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -83236,7 +82797,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -83254,21 +82815,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -83292,7 +82853,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.136e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -83302,7 +82863,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -83311,7 +82872,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -83343,18 +82904,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.248e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -83365,21 +82926,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.639e-11 - CH4 1.639e-11 1.782e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.737e-11 + CH4 1.737e-11 1.889e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -83387,14 +82948,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.257e-12 8.977e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.378e-12 9.109e-12 -11.077 -11.041 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -83410,14 +82971,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.569e-08 - HS- 1.796e-08 1.182e-08 -7.746 -7.927 -0.182 21.14 - H2S 7.724e-09 8.398e-09 -8.112 -8.076 0.036 36.27 - S-2 7.293e-14 1.758e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.418e-18 3.716e-18 -17.466 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.723e-08 + HS- 1.904e-08 1.254e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.188e-09 8.902e-09 -8.087 -8.050 0.036 36.27 + S-2 7.732e-14 1.864e-14 -13.112 -13.730 -0.618 (0) + (H2S)2 3.841e-18 4.176e-18 -17.416 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -83426,7 +82986,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -83444,21 +83004,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -83482,7 +83042,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.136e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -83492,7 +83052,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -83501,7 +83061,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -83533,18 +83093,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.245e-10 + Electrical balance (eq) = 2.786e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -83555,21 +83115,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.639e-11 - CH4 1.639e-11 1.782e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.737e-11 + CH4 1.737e-11 1.889e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -83577,14 +83137,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.257e-12 8.977e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.378e-12 9.109e-12 -11.077 -11.041 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -83600,14 +83160,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.569e-08 - HS- 1.796e-08 1.182e-08 -7.746 -7.927 -0.182 21.14 - H2S 7.724e-09 8.398e-09 -8.112 -8.076 0.036 36.27 - S-2 7.294e-14 1.758e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.418e-18 3.717e-18 -17.466 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.723e-08 + HS- 1.904e-08 1.254e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.188e-09 8.902e-09 -8.087 -8.050 0.036 36.27 + S-2 7.732e-14 1.864e-14 -13.112 -13.730 -0.618 (0) + (H2S)2 3.841e-18 4.176e-18 -17.416 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -83616,7 +83175,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -83634,21 +83193,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -83678,18 +83237,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -83703,8 +83262,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -83728,8 +83287,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -83749,16 +83308,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -83785,21 +83343,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -83827,18 +83385,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -83852,8 +83410,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -83877,8 +83435,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -83898,16 +83456,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -83934,21 +83491,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -83985,18 +83542,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.938 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.930 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -84010,8 +83567,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.891e-13 - CH4 3.891e-13 4.230e-13 -12.410 -12.374 0.036 35.46 +C(-4) 3.344e-13 + CH4 3.344e-13 3.636e-13 -12.476 -12.439 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -84035,8 +83592,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 6.481e-12 - H2 3.241e-12 3.523e-12 -11.489 -11.453 0.036 28.61 +H(0) 6.240e-12 + H2 3.120e-12 3.392e-12 -11.506 -11.470 0.036 28.61 Hto 6.326e-07 Hto 6.326e-07 6.326e-07 -6.199 -6.199 0.000 (0) I 7.809e-07 @@ -84056,16 +83613,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.925e-07 Nat+ 3.925e-07 3.925e-07 -6.406 -6.406 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.519 -69.483 0.036 30.40 -S(-2) 6.100e-10 - HS- 4.265e-10 2.808e-10 -9.370 -9.552 -0.182 21.14 - H2S 1.835e-10 1.995e-10 -9.736 -9.700 0.036 36.27 - S-2 1.731e-15 4.172e-16 -14.762 -15.380 -0.618 (0) - (H2S)2 1.929e-21 2.098e-21 -20.715 -20.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.486 -69.450 0.036 30.40 +S(-2) 5.242e-10 + HS- 3.665e-10 2.413e-10 -9.436 -9.617 -0.182 21.14 + H2S 1.577e-10 1.715e-10 -9.802 -9.766 0.036 36.27 + S-2 1.487e-15 3.585e-16 -14.828 -15.445 -0.618 (0) + (H2S)2 1.425e-21 1.549e-21 -20.846 -20.810 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -84092,21 +83648,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.57 -12.37 -2.80 CH4 + CH4(g) -9.64 -12.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.35 -11.45 -3.10 H2 + H2(g) -8.37 -11.47 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.71 -16.64 -7.94 H2S + H2S(g) -8.77 -16.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.59 -69.48 -2.89 O2 + O2(g) -66.56 -69.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.28 -1.40 4.88 S + Sulfur -6.33 -1.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -84130,7 +83686,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.282e-13 Surface + diffuse layer charge, eq + -1.242e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -84140,7 +83696,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -84152,7 +83708,7 @@ Su Cl 4.6662e-10 H 1.2947e-04 Hto 5.8105e-08 - I 7.3043e-20 + I 7.3057e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -84187,18 +83743,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.041 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.036 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.974e-09 + Electrical balance (eq) = 1.714e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -84212,8 +83768,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.574e-12 - CH4 2.574e-12 2.799e-12 -11.589 -11.553 0.036 35.46 +C(-4) 2.359e-12 + CH4 2.359e-12 2.565e-12 -11.627 -11.591 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -84237,8 +83793,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 1.039e-11 - H2 5.197e-12 5.651e-12 -11.284 -11.248 0.036 28.61 +H(0) 1.017e-11 + H2 5.085e-12 5.528e-12 -11.294 -11.257 0.036 28.61 Hto 4.924e-07 Hto 4.924e-07 4.924e-07 -6.308 -6.308 0.000 (0) I 6.200e-07 @@ -84258,16 +83814,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.086e-07 Nat+ 3.086e-07 3.086e-07 -6.511 -6.511 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.929 -69.893 0.036 30.40 -S(-2) 4.035e-09 - HS- 2.821e-09 1.857e-09 -8.550 -8.731 -0.182 21.14 - H2S 1.214e-09 1.320e-09 -8.916 -8.879 0.036 36.27 - S-2 1.145e-14 2.760e-15 -13.941 -14.559 -0.618 (0) - (H2S)2 8.443e-20 9.179e-20 -19.074 -19.037 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.910 -69.874 0.036 30.40 +S(-2) 3.698e-09 + HS- 2.585e-09 1.702e-09 -8.587 -8.769 -0.182 21.14 + H2S 1.112e-09 1.209e-09 -8.954 -8.917 0.036 36.27 + S-2 1.049e-14 2.529e-15 -13.979 -14.597 -0.618 (0) + (H2S)2 7.090e-20 7.708e-20 -19.149 -19.113 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -84294,21 +83849,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.75 -11.55 -2.80 CH4 + CH4(g) -8.79 -11.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.15 -11.25 -3.10 H2 + H2(g) -8.16 -11.26 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.89 -15.82 -7.94 H2S + H2S(g) -7.92 -15.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.00 -69.89 -2.89 O2 + O2(g) -66.98 -69.87 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.66 -0.78 4.88 S + Sulfur -5.69 -0.81 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -84332,7 +83887,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.102e-11 Surface + diffuse layer charge, eq + -9.089e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -84342,7 +83897,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -84354,11 +83909,11 @@ Su Cl 4.6642e-10 H 1.2948e-04 Hto 2.4562e-08 - I 2.7664e-20 + I 2.7661e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.8129e-08 + Nat 5.8128e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -84389,18 +83944,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.130 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.129 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.418e-09 + Electrical balance (eq) = 4.803e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -84411,14 +83966,14 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.329e-11 - CH4 1.329e-11 1.445e-11 -10.876 -10.840 0.036 35.46 +C(-4) 1.292e-11 + CH4 1.292e-11 1.405e-11 -10.889 -10.852 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -84439,8 +83994,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.567e-11 - H2 7.835e-12 8.519e-12 -11.106 -11.070 0.036 28.61 +H(0) 1.556e-11 + H2 7.780e-12 8.458e-12 -11.109 -11.073 0.036 28.61 Hto 2.082e-07 Hto 2.082e-07 2.082e-07 -6.682 -6.682 0.000 (0) I 2.348e-07 @@ -84460,16 +84015,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 9.891e-08 Nat+ 9.891e-08 9.891e-08 -7.005 -7.005 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.286 -70.250 0.036 30.40 -S(-2) 2.083e-08 - HS- 1.457e-08 9.590e-09 -7.837 -8.018 -0.182 21.14 - H2S 6.266e-09 6.812e-09 -8.203 -8.167 0.036 36.27 - S-2 5.915e-14 1.426e-14 -13.228 -13.846 -0.618 (0) - (H2S)2 2.249e-18 2.445e-18 -17.648 -17.612 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.280 -70.243 0.036 30.40 +S(-2) 2.025e-08 + HS- 1.416e-08 9.321e-09 -7.849 -8.031 -0.182 21.14 + H2S 6.090e-09 6.621e-09 -8.215 -8.179 0.036 36.27 + S-2 5.749e-14 1.386e-14 -13.240 -13.858 -0.618 (0) + (H2S)2 2.125e-18 2.310e-18 -17.673 -17.636 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -84496,21 +84050,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.04 -10.84 -2.80 CH4 + CH4(g) -8.05 -10.85 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.17 -15.11 -7.94 H2S + H2S(g) -7.18 -15.12 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.36 -70.25 -2.89 O2 + O2(g) -67.35 -70.24 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.13 -0.25 4.88 S + Sulfur -5.14 -0.26 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -84534,7 +84088,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.172e-11 Surface + diffuse layer charge, eq + -9.175e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -84544,7 +84098,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -84555,12 +84109,12 @@ Su Ca 7.1884e-02 Cl 4.6636e-10 H 1.2948e-04 - Hto 7.3256e-09 - I 7.2420e-21 + Hto 7.3254e-09 + I 7.2428e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1714e-08 + Nat 1.1713e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -84591,21 +84145,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.143 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.378e-10 + Electrical balance (eq) = 1.876e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -84613,18 +84167,18 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.631e-11 - CH4 1.631e-11 1.774e-11 -10.787 -10.751 0.036 35.46 +C(-4) 1.665e-11 + CH4 1.665e-11 1.811e-11 -10.778 -10.742 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -84635,14 +84189,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.649e-11 - H2 8.247e-12 8.966e-12 -11.084 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.658e-11 + H2 8.290e-12 9.013e-12 -11.081 -11.045 0.036 28.61 Hto 6.208e-08 Hto 6.208e-08 6.208e-08 -7.207 -7.207 0.000 (0) I 6.146e-08 @@ -84662,16 +84216,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.993e-08 Nat+ 1.993e-08 1.993e-08 -7.700 -7.700 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.330 -70.294 0.036 30.40 -S(-2) 2.557e-08 - HS- 1.788e-08 1.177e-08 -7.748 -7.929 -0.182 21.14 - H2S 7.688e-09 8.359e-09 -8.114 -8.078 0.036 36.27 - S-2 7.260e-14 1.750e-14 -13.139 -13.757 -0.618 (0) - (H2S)2 3.386e-18 3.682e-18 -17.470 -17.434 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.335 -70.299 0.036 30.40 +S(-2) 2.610e-08 + HS- 1.825e-08 1.202e-08 -7.739 -7.920 -0.182 21.14 + H2S 7.849e-09 8.534e-09 -8.105 -8.069 0.036 36.27 + S-2 7.412e-14 1.787e-14 -13.130 -13.748 -0.618 (0) + (H2S)2 3.530e-18 3.837e-18 -17.452 -17.416 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -84698,21 +84251,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.94 -10.74 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.07 -15.01 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.29 -2.89 O2 + O2(g) -67.41 -70.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.06 -0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -84736,7 +84289,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.157e-11 Surface + diffuse layer charge, eq + -9.180e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -84746,7 +84299,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -84755,14 +84308,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6635e-10 + Cl 4.6633e-10 H 1.2948e-04 - Hto 1.6221e-09 + Hto 1.6220e-09 I 1.3905e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6587e-09 + Nat 1.6585e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -84793,18 +84346,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.144 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.147 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.328e-10 + Electrical balance (eq) = 1.863e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -84818,8 +84371,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.716e-11 - CH4 1.716e-11 1.866e-11 -10.765 -10.729 0.036 35.46 +C(-4) 1.798e-11 + CH4 1.798e-11 1.955e-11 -10.745 -10.709 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -84829,10 +84382,10 @@ C(4) 2.744e-03 CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -84843,8 +84396,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.671e-11 - H2 8.353e-12 9.081e-12 -11.078 -11.042 0.036 28.61 +H(0) 1.690e-11 + H2 8.450e-12 9.188e-12 -11.073 -11.037 0.036 28.61 Hto 1.375e-08 Hto 1.375e-08 1.375e-08 -7.862 -7.862 0.000 (0) I 1.180e-08 @@ -84859,21 +84412,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.822e-09 Nat+ 2.822e-09 2.822e-09 -8.549 -8.549 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.341 -70.305 0.036 30.40 -S(-2) 2.690e-08 - HS- 1.881e-08 1.238e-08 -7.726 -7.907 -0.182 21.14 - H2S 8.089e-09 8.795e-09 -8.092 -8.056 0.036 36.27 - S-2 7.639e-14 1.841e-14 -13.117 -13.735 -0.618 (0) - (H2S)2 3.749e-18 4.076e-18 -17.426 -17.390 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.352 -70.315 0.036 30.40 +S(-2) 2.818e-08 + HS- 1.971e-08 1.297e-08 -7.705 -7.887 -0.182 21.14 + H2S 8.475e-09 9.214e-09 -8.072 -8.036 0.036 36.27 + S-2 8.003e-14 1.929e-14 -13.097 -13.715 -0.618 (0) + (H2S)2 4.115e-18 4.473e-18 -17.386 -17.349 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -84888,7 +84440,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -84900,21 +84452,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.93 -10.73 -2.80 CH4 + CH4(g) -7.91 -10.71 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -15.00 -7.94 H2S + H2S(g) -7.04 -14.98 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.41 -70.31 -2.89 O2 + O2(g) -67.42 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.05 -0.16 4.88 S + Sulfur -5.03 -0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -84938,7 +84490,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.143e-11 Surface + diffuse layer charge, eq + -9.171e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -84948,7 +84500,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -84957,14 +84509,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6633e-10 H 1.2948e-04 - Hto 2.7655e-10 - I 2.0403e-22 + Hto 2.7653e-10 + I 2.0400e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7548e-10 + Nat 1.7546e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -84988,25 +84540,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.986e-10 3.518e-11 + Nat 2.986e-10 3.517e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.331e-10 + Electrical balance (eq) = 1.869e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -85018,10 +84570,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.736e-11 - CH4 1.736e-11 1.888e-11 -10.760 -10.724 0.036 35.46 +C(-4) 1.832e-11 + CH4 1.832e-11 1.992e-11 -10.737 -10.701 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -85033,8 +84585,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -85045,8 +84597,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.675e-11 - H2 8.376e-12 9.107e-12 -11.077 -11.041 0.036 28.61 +H(0) 1.698e-11 + H2 8.490e-12 9.230e-12 -11.071 -11.035 0.036 28.61 Hto 2.344e-09 Hto 2.344e-09 2.344e-09 -8.630 -8.630 0.000 (0) I 1.732e-09 @@ -85061,21 +84613,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.986e-10 Nat+ 2.986e-10 2.986e-10 -9.525 -9.525 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.721e-08 - HS- 1.903e-08 1.253e-08 -7.721 -7.902 -0.182 21.14 - H2S 8.182e-09 8.896e-09 -8.087 -8.051 0.036 36.27 - S-2 7.726e-14 1.862e-14 -13.112 -13.730 -0.618 (0) - (H2S)2 3.835e-18 4.170e-18 -17.416 -17.380 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.319 0.036 30.40 +S(-2) 2.871e-08 + HS- 2.008e-08 1.322e-08 -7.697 -7.879 -0.182 21.14 + H2S 8.633e-09 9.386e-09 -8.064 -8.028 0.036 36.27 + S-2 8.153e-14 1.965e-14 -13.089 -13.707 -0.618 (0) + (H2S)2 4.270e-18 4.643e-18 -17.370 -17.333 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -85090,7 +84641,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -85102,21 +84653,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -85140,7 +84691,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.138e-11 Surface + diffuse layer charge, eq + -9.166e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -85150,7 +84701,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -85159,14 +84710,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6633e-10 H 1.2948e-04 - Hto 3.7233e-11 + Hto 3.7231e-11 I 2.3533e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4397e-11 + Nat 1.4395e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -85197,18 +84748,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.337e-10 + Electrical balance (eq) = 1.872e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -85220,10 +84771,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.736e-11 - CH4 1.736e-11 1.887e-11 -10.760 -10.724 0.036 35.46 +C(-4) 1.834e-11 + CH4 1.834e-11 1.994e-11 -10.737 -10.700 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -85235,8 +84786,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -85247,8 +84798,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.675e-11 - H2 8.376e-12 9.107e-12 -11.077 -11.041 0.036 28.61 +H(0) 1.699e-11 + H2 8.493e-12 9.233e-12 -11.071 -11.035 0.036 28.61 Hto 3.155e-10 Hto 3.155e-10 3.155e-10 -9.501 -9.501 0.000 (0) I 1.997e-10 @@ -85263,21 +84814,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.450e-11 Nat+ 2.450e-11 2.450e-11 -10.611 -10.611 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.721e-08 - HS- 1.903e-08 1.253e-08 -7.721 -7.902 -0.182 21.14 - H2S 8.182e-09 8.895e-09 -8.087 -8.051 0.036 36.27 - S-2 7.726e-14 1.862e-14 -13.112 -13.730 -0.618 (0) - (H2S)2 3.835e-18 4.170e-18 -17.416 -17.380 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.875e-08 + HS- 2.010e-08 1.323e-08 -7.697 -7.878 -0.182 21.14 + H2S 8.644e-09 9.399e-09 -8.063 -8.027 0.036 36.27 + S-2 8.164e-14 1.968e-14 -13.088 -13.706 -0.618 (0) + (H2S)2 4.281e-18 4.655e-18 -17.368 -17.332 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -85292,7 +84842,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -85304,21 +84854,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -85342,7 +84892,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.134e-11 Surface + diffuse layer charge, eq + -9.162e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -85352,7 +84902,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -85361,14 +84911,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6635e-10 + Cl 4.6633e-10 H 1.2948e-04 - Hto 4.0281e-12 + Hto 4.0277e-12 I 2.1738e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.3813e-13 + Nat 9.3797e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -85387,30 +84937,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.414e-11 4.022e-12 + Hto 3.413e-11 4.021e-12 I 1.845e-11 2.174e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.596e-12 1.881e-13 + Nat 1.596e-12 1.880e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.144 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.147 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.337e-10 + Electrical balance (eq) = 1.874e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -85424,8 +84974,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.717e-11 - CH4 1.717e-11 1.866e-11 -10.765 -10.729 0.036 35.46 +C(-4) 1.815e-11 + CH4 1.815e-11 1.973e-11 -10.741 -10.705 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -85435,10 +84985,10 @@ C(4) 2.744e-03 CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -85449,10 +84999,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.671e-11 - H2 8.353e-12 9.081e-12 -11.078 -11.042 0.036 28.61 -Hto 3.414e-11 - Hto 3.414e-11 3.414e-11 -10.467 -10.467 0.000 (0) +H(0) 1.694e-11 + H2 8.470e-12 9.209e-12 -11.072 -11.036 0.036 28.61 +Hto 3.413e-11 + Hto 3.413e-11 3.413e-11 -10.467 -10.467 0.000 (0) I 1.845e-11 I- 1.845e-11 1.845e-11 -10.734 -10.734 -0.000 (0) K 1.540e-03 @@ -85465,21 +85015,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.596e-12 Nat+ 1.596e-12 1.596e-12 -11.797 -11.797 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.341 -70.305 0.036 30.40 -S(-2) 2.690e-08 - HS- 1.881e-08 1.238e-08 -7.726 -7.907 -0.182 21.14 - H2S 8.090e-09 8.796e-09 -8.092 -8.056 0.036 36.27 - S-2 7.640e-14 1.842e-14 -13.117 -13.735 -0.618 (0) - (H2S)2 3.750e-18 4.077e-18 -17.426 -17.390 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.354 -70.317 0.036 30.40 +S(-2) 2.845e-08 + HS- 1.989e-08 1.310e-08 -7.701 -7.883 -0.182 21.14 + H2S 8.554e-09 9.300e-09 -8.068 -8.031 0.036 36.27 + S-2 8.079e-14 1.947e-14 -13.093 -13.711 -0.618 (0) + (H2S)2 4.192e-18 4.558e-18 -17.378 -17.341 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -85494,7 +85043,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -85506,21 +85055,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.93 -10.73 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -15.00 -7.94 H2S + H2S(g) -7.04 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.41 -70.31 -2.89 O2 + O2(g) -67.42 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.05 -0.16 4.88 S + Sulfur -5.03 -0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -85544,7 +85093,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.120e-11 Surface + diffuse layer charge, eq + -9.148e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -85554,7 +85103,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -85563,14 +85112,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 3.5421e-13 + Hto 3.5417e-13 I 1.6282e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9291e-14 + Nat 4.9282e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -85589,30 +85138,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.002e-12 3.536e-13 + Hto 3.001e-12 3.536e-13 I 1.382e-12 1.628e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.387e-14 9.881e-15 + Nat 8.386e-14 9.879e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.143 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.146 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.048e-09 + Electrical balance (eq) = 6.999e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -85623,38 +85172,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.666e-11 - CH4 1.666e-11 1.812e-11 -10.778 -10.742 0.036 35.46 +C(-4) 1.765e-11 + CH4 1.765e-11 1.919e-11 -10.753 -10.717 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.658e-11 - H2 8.291e-12 9.014e-12 -11.081 -11.045 0.036 28.61 -Hto 3.002e-12 - Hto 3.002e-12 3.002e-12 -11.523 -11.523 0.000 (0) +H(0) 1.682e-11 + H2 8.411e-12 9.145e-12 -11.075 -11.039 0.036 28.61 +Hto 3.001e-12 + Hto 3.001e-12 3.001e-12 -11.523 -11.523 0.000 (0) I 1.382e-12 I- 1.382e-12 1.382e-12 -11.859 -11.859 -0.000 (0) K 1.540e-03 @@ -85667,21 +85216,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 8.387e-14 - Nat+ 8.387e-14 8.387e-14 -13.076 -13.076 -0.000 (0) +Nat 8.386e-14 + Nat+ 8.386e-14 8.386e-14 -13.076 -13.076 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.335 -70.299 0.036 30.40 -S(-2) 2.611e-08 - HS- 1.826e-08 1.202e-08 -7.738 -7.920 -0.182 21.14 - H2S 7.853e-09 8.538e-09 -8.105 -8.069 0.036 36.27 - S-2 7.415e-14 1.787e-14 -13.130 -13.748 -0.618 (0) - (H2S)2 3.533e-18 3.841e-18 -17.452 -17.416 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.347 -70.311 0.036 30.40 +S(-2) 2.766e-08 + HS- 1.934e-08 1.273e-08 -7.714 -7.895 -0.182 21.14 + H2S 8.317e-09 9.043e-09 -8.080 -8.044 0.036 36.27 + S-2 7.854e-14 1.893e-14 -13.105 -13.723 -0.618 (0) + (H2S)2 3.963e-18 4.309e-18 -17.402 -17.366 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -85690,13 +85238,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -85708,21 +85256,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.94 -10.74 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.07 -15.01 -7.94 H2S + H2S(g) -7.05 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.41 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.17 4.88 S + Sulfur -5.04 -0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -85746,7 +85294,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.111e-11 Surface + diffuse layer charge, eq + -9.139e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -85756,7 +85304,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -85765,14 +85313,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 2.5491e-14 - I 9.9696e-27 + Hto 2.5488e-14 + I 9.9665e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1076e-15 + Nat 2.1071e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -85796,25 +85344,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.586e-15 4.225e-16 + Nat 3.585e-15 4.224e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.096e-09 + Electrical balance (eq) = 7.497e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -85825,21 +85373,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.644e-11 - CH4 1.644e-11 1.788e-11 -10.784 -10.748 0.036 35.46 +C(-4) 1.743e-11 + CH4 1.743e-11 1.895e-11 -10.759 -10.722 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -85847,16 +85395,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.653e-11 - H2 8.263e-12 8.984e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.677e-11 + H2 8.384e-12 9.116e-12 -11.077 -11.040 0.036 28.61 Hto 2.160e-13 - Hto 2.160e-13 2.160e-13 -12.665 -12.665 0.000 (0) + Hto 2.160e-13 2.160e-13 -12.666 -12.666 0.000 (0) I 8.460e-14 I- 8.460e-14 8.460e-14 -13.073 -13.073 -0.000 (0) K 1.540e-03 @@ -85874,16 +85422,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.586e-15 - Nat+ 3.586e-15 3.586e-15 -14.445 -14.445 -0.000 (0) +Nat 3.585e-15 + Nat+ 3.585e-15 3.585e-15 -14.445 -14.445 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.332 -70.296 0.036 30.40 -S(-2) 2.577e-08 - HS- 1.802e-08 1.186e-08 -7.744 -7.926 -0.182 21.14 - H2S 7.749e-09 8.425e-09 -8.111 -8.074 0.036 36.27 - S-2 7.317e-14 1.764e-14 -13.136 -13.754 -0.618 (0) - (H2S)2 3.440e-18 3.740e-18 -17.463 -17.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.345 -70.308 0.036 30.40 +S(-2) 2.731e-08 + HS- 1.910e-08 1.257e-08 -7.719 -7.901 -0.182 21.14 + H2S 8.213e-09 8.930e-09 -8.085 -8.049 0.036 36.27 + S-2 7.756e-14 1.870e-14 -13.110 -13.728 -0.618 (0) + (H2S)2 3.865e-18 4.202e-18 -17.413 -17.377 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -85892,7 +85439,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -85910,21 +85457,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.05 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -85948,7 +85495,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.109e-11 Surface + diffuse layer charge, eq + -9.137e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -85958,7 +85505,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -85967,14 +85514,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 1.5058e-15 + Hto 1.5056e-15 I 5.0014e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.3655e-17 + Nat 7.3636e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -85998,25 +85545,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.253e-16 1.477e-17 + Nat 1.253e-16 1.476e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.396e-10 + Electrical balance (eq) = 2.935e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -86027,21 +85574,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.640e-11 - CH4 1.640e-11 1.783e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.738e-11 + CH4 1.738e-11 1.890e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -86049,14 +85596,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.651e-11 - H2 8.257e-12 8.978e-12 -11.083 -11.047 0.036 28.61 + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.379e-12 9.110e-12 -11.077 -11.040 0.036 28.61 Hto 1.276e-14 Hto 1.276e-14 1.276e-14 -13.894 -13.894 0.000 (0) I 4.245e-15 @@ -86076,16 +85623,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.253e-16 Nat+ 1.253e-16 1.253e-16 -15.902 -15.902 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.570e-08 - HS- 1.797e-08 1.183e-08 -7.745 -7.927 -0.182 21.14 - H2S 7.727e-09 8.401e-09 -8.112 -8.076 0.036 36.27 - S-2 7.296e-14 1.759e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.421e-18 3.719e-18 -17.466 -17.430 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.724e-08 + HS- 1.905e-08 1.254e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.191e-09 8.906e-09 -8.087 -8.050 0.036 36.27 + S-2 7.735e-14 1.865e-14 -13.112 -13.729 -0.618 (0) + (H2S)2 3.844e-18 4.179e-18 -17.415 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -86094,7 +85640,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -86112,21 +85658,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -86150,7 +85696,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.108e-11 Surface + diffuse layer charge, eq + -9.137e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -86160,7 +85706,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -86169,14 +85715,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 7.2947e-17 - I 2.0563e-29 + Hto 7.2935e-17 + I 2.0557e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1044e-18 + Nat 2.1038e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -86195,30 +85741,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.182e-16 7.283e-17 + Hto 6.181e-16 7.282e-17 I 1.745e-16 2.056e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.581e-18 4.219e-19 + Nat 3.580e-18 4.217e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.252e-10 + Electrical balance (eq) = 2.791e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -86229,21 +85775,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.640e-11 - CH4 1.640e-11 1.783e-11 -10.785 -10.749 0.036 35.46 +C(-4) 1.738e-11 + CH4 1.738e-11 1.890e-11 -10.760 -10.724 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -86251,16 +85797,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.652e-11 - H2 8.258e-12 8.978e-12 -11.083 -11.047 0.036 28.61 -Hto 6.182e-16 - Hto 6.182e-16 6.182e-16 -15.209 -15.209 0.000 (0) + HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.676e-11 + H2 8.379e-12 9.110e-12 -11.077 -11.040 0.036 28.61 +Hto 6.181e-16 + Hto 6.181e-16 6.181e-16 -15.209 -15.209 0.000 (0) I 1.745e-16 I- 1.745e-16 1.745e-16 -15.758 -15.758 -0.000 (0) K 1.540e-03 @@ -86278,16 +85824,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.581e-18 - Nat+ 3.581e-18 3.581e-18 -17.446 -17.446 -0.000 (0) +Nat 3.580e-18 + Nat+ 3.580e-18 3.580e-18 -17.446 -17.446 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.331 -70.295 0.036 30.40 -S(-2) 2.570e-08 - HS- 1.797e-08 1.183e-08 -7.745 -7.927 -0.182 21.14 - H2S 7.729e-09 8.403e-09 -8.112 -8.076 0.036 36.27 - S-2 7.298e-14 1.759e-14 -13.137 -13.755 -0.618 (0) - (H2S)2 3.422e-18 3.721e-18 -17.466 -17.429 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 +S(-2) 2.725e-08 + HS- 1.905e-08 1.254e-08 -7.720 -7.902 -0.182 21.14 + H2S 8.193e-09 8.908e-09 -8.087 -8.050 0.036 36.27 + S-2 7.737e-14 1.865e-14 -13.111 -13.729 -0.618 (0) + (H2S)2 3.846e-18 4.181e-18 -17.415 -17.379 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -86296,7 +85841,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -86314,21 +85859,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.02 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -86352,7 +85897,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.113e-11 Surface + diffuse layer charge, eq + -9.141e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -86362,7 +85907,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -86371,14 +85916,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6634e-10 H 1.2948e-04 - Hto 2.8847e-18 + Hto 2.8841e-18 I 6.8948e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8957e-20 + Nat 4.8942e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -86397,30 +85942,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.445e-17 2.880e-18 + Hto 2.444e-17 2.879e-18 I 5.852e-18 6.894e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.331e-20 9.814e-21 + Nat 8.328e-20 9.811e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.145 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.118e-09 + Electrical balance (eq) = 1.771e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -86431,38 +85976,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.653e-11 - CH4 1.653e-11 1.797e-11 -10.782 -10.745 0.036 35.46 +C(-4) 1.752e-11 + CH4 1.752e-11 1.905e-11 -10.757 -10.720 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.655e-11 - H2 8.275e-12 8.996e-12 -11.082 -11.046 0.036 28.61 -Hto 2.445e-17 - Hto 2.445e-17 2.445e-17 -16.612 -16.612 0.000 (0) +H(0) 1.679e-11 + H2 8.395e-12 9.128e-12 -11.076 -11.040 0.036 28.61 +Hto 2.444e-17 + Hto 2.444e-17 2.444e-17 -16.612 -16.612 0.000 (0) I 5.852e-18 I- 5.852e-18 5.852e-18 -17.233 -17.233 -0.000 (0) K 1.540e-03 @@ -86480,16 +86025,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 8.331e-20 - Nat+ 8.331e-20 8.331e-20 -19.079 -19.079 -0.000 (0) +Nat 8.328e-20 + Nat+ 8.328e-20 8.328e-20 -19.079 -19.079 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.333 -70.297 0.036 30.40 -S(-2) 2.591e-08 - HS- 1.812e-08 1.193e-08 -7.742 -7.923 -0.182 21.14 - H2S 7.792e-09 8.471e-09 -8.108 -8.072 0.036 36.27 - S-2 7.357e-14 1.774e-14 -13.133 -13.751 -0.618 (0) - (H2S)2 3.478e-18 3.782e-18 -17.459 -17.422 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.346 -70.310 0.036 30.40 +S(-2) 2.745e-08 + HS- 1.920e-08 1.264e-08 -7.717 -7.898 -0.182 21.14 + H2S 8.256e-09 8.976e-09 -8.083 -8.047 0.036 36.27 + S-2 7.796e-14 1.879e-14 -13.108 -13.726 -0.618 (0) + (H2S)2 3.905e-18 4.246e-18 -17.408 -17.372 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -86498,13 +86042,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -86516,21 +86060,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.94 -10.75 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.05 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.08 -15.01 -7.94 H2S + H2S(g) -7.05 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.40 -70.30 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.06 -0.18 4.88 S + Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -86554,7 +86098,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.128e-11 Surface + diffuse layer charge, eq + -9.156e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -86564,7 +86108,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -86573,14 +86117,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6635e-10 + Cl 4.6633e-10 H 1.2948e-04 - Hto 9.2267e-20 + Hto 9.2248e-20 I 1.8688e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1939e-22 + Nat 9.1908e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -86599,30 +86143,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.819e-19 9.212e-20 + Hto 7.818e-19 9.210e-20 I 1.586e-19 1.869e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.564e-21 1.843e-22 + Nat 1.564e-21 1.842e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.341e-10 + Electrical balance (eq) = 1.877e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -86636,8 +86180,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.723e-11 - CH4 1.723e-11 1.873e-11 -10.764 -10.727 0.036 35.46 +C(-4) 1.821e-11 + CH4 1.821e-11 1.980e-11 -10.740 -10.703 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -86647,10 +86191,10 @@ C(4) 2.744e-03 CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -86661,10 +86205,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.672e-11 - H2 8.360e-12 9.090e-12 -11.078 -11.041 0.036 28.61 -Hto 7.819e-19 - Hto 7.819e-19 7.819e-19 -18.107 -18.107 0.000 (0) +H(0) 1.695e-11 + H2 8.477e-12 9.217e-12 -11.072 -11.035 0.036 28.61 +Hto 7.818e-19 + Hto 7.818e-19 7.818e-19 -18.107 -18.107 0.000 (0) I 1.586e-19 I- 1.586e-19 1.586e-19 -18.800 -18.800 -0.000 (0) K 1.540e-03 @@ -86677,21 +86221,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.564e-21 Nat+ 1.564e-21 1.564e-21 -20.806 -20.806 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.342 -70.306 0.036 30.40 -S(-2) 2.700e-08 - HS- 1.888e-08 1.243e-08 -7.724 -7.906 -0.182 21.14 - H2S 8.119e-09 8.827e-09 -8.091 -8.054 0.036 36.27 - S-2 7.667e-14 1.848e-14 -13.115 -13.733 -0.618 (0) - (H2S)2 3.776e-18 4.106e-18 -17.423 -17.387 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.354 -70.318 0.036 30.40 +S(-2) 2.854e-08 + HS- 1.996e-08 1.314e-08 -7.700 -7.881 -0.182 21.14 + H2S 8.583e-09 9.332e-09 -8.066 -8.030 0.036 36.27 + S-2 8.106e-14 1.954e-14 -13.091 -13.709 -0.618 (0) + (H2S)2 4.221e-18 4.589e-18 -17.375 -17.338 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -86706,7 +86249,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -86718,21 +86261,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.93 -10.73 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -15.00 -7.94 H2S + H2S(g) -7.04 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.41 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.03 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -86756,7 +86299,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.136e-11 Surface + diffuse layer charge, eq + -9.164e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -86766,7 +86309,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -86775,14 +86318,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6633e-10 H 1.2948e-04 - Hto 2.3515e-21 - I 4.0334e-34 + Hto 2.3510e-21 + I 4.0343e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3691e-23 + Nat 1.3686e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -86801,30 +86344,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.993e-20 2.348e-21 + Hto 1.992e-20 2.347e-21 I 3.424e-21 4.033e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.330e-23 2.745e-24 + Nat 2.329e-23 2.744e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.338e-10 + Electrical balance (eq) = 1.873e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -86836,10 +86379,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.739e-11 - CH4 1.739e-11 1.891e-11 -10.760 -10.723 0.036 35.46 +C(-4) 1.838e-11 + CH4 1.838e-11 1.998e-11 -10.736 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -86851,8 +86394,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -86863,10 +86406,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.676e-11 - H2 8.380e-12 9.111e-12 -11.077 -11.040 0.036 28.61 -Hto 1.993e-20 - Hto 1.993e-20 1.993e-20 -19.701 -19.701 0.000 (0) +H(0) 1.699e-11 + H2 8.497e-12 9.238e-12 -11.071 -11.034 0.036 28.61 +Hto 1.992e-20 + Hto 1.992e-20 1.992e-20 -19.701 -19.701 0.000 (0) I 3.424e-21 I- 3.424e-21 3.424e-21 -20.466 -20.466 -0.000 (0) K 1.540e-03 @@ -86879,21 +86422,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.330e-23 - Nat+ 2.330e-23 2.330e-23 -22.633 -22.633 -0.000 (0) +Nat 2.329e-23 + Nat+ 2.329e-23 2.329e-23 -22.633 -22.633 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.726e-08 - HS- 1.906e-08 1.255e-08 -7.720 -7.901 -0.182 21.14 - H2S 8.197e-09 8.912e-09 -8.086 -8.050 0.036 36.27 - S-2 7.740e-14 1.866e-14 -13.111 -13.729 -0.618 (0) - (H2S)2 3.849e-18 4.185e-18 -17.415 -17.378 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.880e-08 + HS- 2.014e-08 1.326e-08 -7.696 -7.877 -0.182 21.14 + H2S 8.661e-09 9.416e-09 -8.062 -8.026 0.036 36.27 + S-2 8.179e-14 1.972e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.297e-18 4.672e-18 -17.367 -17.330 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -86908,7 +86450,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -86920,21 +86462,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -86958,7 +86500,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.137e-11 Surface + diffuse layer charge, eq + -9.165e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -86968,7 +86510,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -86977,14 +86519,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 - Hto 4.6642e-23 - I 6.7429e-36 + Hto 4.6631e-23 + I 6.7415e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0357e-25 + Nat 1.0353e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -87003,30 +86545,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.953e-22 4.657e-23 + Hto 3.952e-22 4.656e-23 I 5.723e-23 6.742e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.762e-25 2.076e-26 + Nat 1.762e-25 2.075e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.336e-10 + Electrical balance (eq) = 1.872e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -87038,10 +86580,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.741e-11 - CH4 1.741e-11 1.893e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.839e-11 + CH4 1.839e-11 2.000e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -87053,8 +86595,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -87065,10 +86607,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.676e-11 - H2 8.382e-12 9.113e-12 -11.077 -11.040 0.036 28.61 -Hto 3.953e-22 - Hto 3.953e-22 3.953e-22 -21.403 -21.403 0.000 (0) +H(0) 1.700e-11 + H2 8.498e-12 9.240e-12 -11.071 -11.034 0.036 28.61 +Hto 3.952e-22 + Hto 3.952e-22 3.952e-22 -21.403 -21.403 0.000 (0) I 5.723e-23 I- 5.723e-23 5.723e-23 -22.242 -22.242 -0.000 (0) K 1.540e-03 @@ -87081,21 +86623,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.762e-25 Nat+ 1.762e-25 1.762e-25 -24.754 -24.754 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.728e-08 - HS- 1.908e-08 1.256e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.204e-09 8.920e-09 -8.086 -8.050 0.036 36.27 - S-2 7.747e-14 1.868e-14 -13.111 -13.729 -0.618 (0) - (H2S)2 3.856e-18 4.193e-18 -17.414 -17.378 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.883e-08 + HS- 2.016e-08 1.327e-08 -7.696 -7.877 -0.182 21.14 + H2S 8.668e-09 9.424e-09 -8.062 -8.026 0.036 36.27 + S-2 8.186e-14 1.973e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.305e-18 4.680e-18 -17.366 -17.330 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -87110,7 +86651,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -87122,21 +86663,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -87160,7 +86701,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.137e-11 Surface + diffuse layer charge, eq + -9.165e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -87170,7 +86711,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -87179,9 +86720,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 - Hto 6.8106e-25 + Hto 6.8089e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -87203,7 +86744,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.772e-24 6.800e-25 + Hto 5.770e-24 6.798e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -87213,18 +86754,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.335e-10 + Electrical balance (eq) = 1.873e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -87236,10 +86777,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.741e-11 - CH4 1.741e-11 1.893e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.839e-11 + CH4 1.839e-11 2.000e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -87251,8 +86792,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -87263,10 +86804,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.676e-11 - H2 8.382e-12 9.113e-12 -11.077 -11.040 0.036 28.61 -Hto 5.772e-24 - Hto 5.772e-24 5.772e-24 -23.239 -23.239 0.000 (0) +H(0) 1.700e-11 + H2 8.499e-12 9.240e-12 -11.071 -11.034 0.036 28.61 +Hto 5.770e-24 + Hto 5.770e-24 5.770e-24 -23.239 -23.239 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -87277,19 +86818,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.728e-08 - HS- 1.908e-08 1.256e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.205e-09 8.920e-09 -8.086 -8.050 0.036 36.27 - S-2 7.748e-14 1.868e-14 -13.111 -13.729 -0.618 (0) - (H2S)2 3.857e-18 4.193e-18 -17.414 -17.377 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.883e-08 + HS- 2.016e-08 1.327e-08 -7.696 -7.877 -0.182 21.14 + H2S 8.669e-09 9.425e-09 -8.062 -8.026 0.036 36.27 + S-2 8.187e-14 1.973e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.305e-18 4.681e-18 -17.366 -17.330 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -87304,7 +86844,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -87316,21 +86856,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -87354,7 +86894,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.137e-11 Surface + diffuse layer charge, eq + -9.165e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -87364,7 +86904,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -87373,7 +86913,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -87405,18 +86945,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.339e-10 + Electrical balance (eq) = 1.873e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -87428,10 +86968,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.741e-11 - CH4 1.741e-11 1.893e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.839e-11 + CH4 1.839e-11 2.000e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -87443,8 +86983,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -87455,8 +86995,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.676e-11 - H2 8.382e-12 9.113e-12 -11.077 -11.040 0.036 28.61 +H(0) 1.700e-11 + H2 8.499e-12 9.240e-12 -11.071 -11.034 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -87467,19 +87007,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.728e-08 - HS- 1.908e-08 1.256e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.204e-09 8.920e-09 -8.086 -8.050 0.036 36.27 - S-2 7.748e-14 1.868e-14 -13.111 -13.729 -0.618 (0) - (H2S)2 3.856e-18 4.193e-18 -17.414 -17.378 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.883e-08 + HS- 2.016e-08 1.327e-08 -7.696 -7.877 -0.182 21.14 + H2S 8.669e-09 9.425e-09 -8.062 -8.026 0.036 36.27 + S-2 8.187e-14 1.973e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.305e-18 4.681e-18 -17.366 -17.330 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -87494,7 +87033,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -87506,21 +87045,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -87544,7 +87083,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.137e-11 Surface + diffuse layer charge, eq + -9.165e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -87554,7 +87093,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -87563,7 +87102,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -87595,18 +87134,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.337e-10 + Electrical balance (eq) = 1.873e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -87618,10 +87157,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.741e-11 - CH4 1.741e-11 1.893e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.839e-11 + CH4 1.839e-11 2.000e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -87633,8 +87172,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -87645,8 +87184,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.676e-11 - H2 8.382e-12 9.113e-12 -11.077 -11.040 0.036 28.61 +H(0) 1.700e-11 + H2 8.499e-12 9.240e-12 -11.071 -11.034 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -87657,19 +87196,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.728e-08 - HS- 1.908e-08 1.256e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.204e-09 8.920e-09 -8.086 -8.050 0.036 36.27 - S-2 7.748e-14 1.868e-14 -13.111 -13.729 -0.618 (0) - (H2S)2 3.856e-18 4.193e-18 -17.414 -17.378 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.883e-08 + HS- 2.016e-08 1.327e-08 -7.696 -7.877 -0.182 21.14 + H2S 8.669e-09 9.425e-09 -8.062 -8.026 0.036 36.27 + S-2 8.187e-14 1.973e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.305e-18 4.681e-18 -17.366 -17.330 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -87684,7 +87222,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -87696,21 +87234,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -87734,7 +87272,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.137e-11 Surface + diffuse layer charge, eq + -9.165e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -87744,7 +87282,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -87753,7 +87291,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -87785,18 +87323,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.337e-10 + Electrical balance (eq) = 1.872e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -87808,10 +87346,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.741e-11 - CH4 1.741e-11 1.893e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.839e-11 + CH4 1.839e-11 2.000e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -87823,8 +87361,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -87835,8 +87373,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.676e-11 - H2 8.382e-12 9.113e-12 -11.077 -11.040 0.036 28.61 +H(0) 1.700e-11 + H2 8.499e-12 9.240e-12 -11.071 -11.034 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -87847,19 +87385,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.728e-08 - HS- 1.908e-08 1.256e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.204e-09 8.920e-09 -8.086 -8.050 0.036 36.27 - S-2 7.748e-14 1.868e-14 -13.111 -13.729 -0.618 (0) - (H2S)2 3.857e-18 4.193e-18 -17.414 -17.377 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.883e-08 + HS- 2.016e-08 1.327e-08 -7.696 -7.877 -0.182 21.14 + H2S 8.669e-09 9.425e-09 -8.062 -8.026 0.036 36.27 + S-2 8.187e-14 1.973e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.305e-18 4.681e-18 -17.366 -17.330 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -87874,7 +87411,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -87886,21 +87423,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -87924,7 +87461,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.137e-11 Surface + diffuse layer charge, eq + -9.165e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -87934,7 +87471,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -87943,7 +87480,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -87975,18 +87512,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.334e-10 + Electrical balance (eq) = 1.872e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -87998,10 +87535,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.741e-11 - CH4 1.741e-11 1.893e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.839e-11 + CH4 1.839e-11 2.000e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -88013,8 +87550,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -88025,8 +87562,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.676e-11 - H2 8.382e-12 9.114e-12 -11.077 -11.040 0.036 28.61 +H(0) 1.700e-11 + H2 8.499e-12 9.240e-12 -11.071 -11.034 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -88037,19 +87574,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.344 -70.308 0.036 30.40 -S(-2) 2.728e-08 - HS- 1.908e-08 1.256e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.205e-09 8.921e-09 -8.086 -8.050 0.036 36.27 - S-2 7.748e-14 1.868e-14 -13.111 -13.729 -0.618 (0) - (H2S)2 3.857e-18 4.193e-18 -17.414 -17.377 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 +S(-2) 2.883e-08 + HS- 2.016e-08 1.327e-08 -7.696 -7.877 -0.182 21.14 + H2S 8.669e-09 9.425e-09 -8.062 -8.026 0.036 36.27 + S-2 8.187e-14 1.973e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.305e-18 4.681e-18 -17.366 -17.330 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -88064,7 +87600,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -88076,21 +87612,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -88120,18 +87656,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -88145,8 +87681,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -88170,8 +87706,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -88191,16 +87727,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -88227,21 +87762,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -88269,18 +87804,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -88294,8 +87829,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -88319,8 +87854,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -88340,16 +87875,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -88376,21 +87910,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -88427,18 +87961,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.947 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.940 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -88452,8 +87986,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.562e-13 - CH4 4.562e-13 4.960e-13 -12.341 -12.305 0.036 35.46 +C(-4) 3.966e-13 + CH4 3.966e-13 4.312e-13 -12.402 -12.365 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -88466,7 +88000,7 @@ C(4) 2.744e-03 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -88477,8 +88011,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 6.744e-12 - H2 3.372e-12 3.666e-12 -11.472 -11.436 0.036 28.61 +H(0) 6.512e-12 + H2 3.256e-12 3.540e-12 -11.487 -11.451 0.036 28.61 Hto 6.255e-07 Hto 6.255e-07 6.255e-07 -6.204 -6.204 0.000 (0) I 7.762e-07 @@ -88498,16 +88032,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.848e-07 Nat+ 3.848e-07 3.848e-07 -6.415 -6.415 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.554 -69.517 0.036 30.40 -S(-2) 7.152e-10 - HS- 5.000e-10 3.292e-10 -9.301 -9.483 -0.182 21.14 - H2S 2.152e-10 2.339e-10 -9.667 -9.631 0.036 36.27 - S-2 2.029e-15 4.891e-16 -14.693 -15.311 -0.618 (0) - (H2S)2 2.652e-21 2.884e-21 -20.576 -20.540 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.523 -69.487 0.036 30.40 +S(-2) 6.217e-10 + HS- 4.347e-10 2.861e-10 -9.362 -9.543 -0.182 21.14 + H2S 1.870e-10 2.034e-10 -9.728 -9.692 0.036 36.27 + S-2 1.764e-15 4.252e-16 -14.754 -15.371 -0.618 (0) + (H2S)2 2.004e-21 2.179e-21 -20.698 -20.662 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -88534,21 +88067,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.50 -12.30 -2.80 CH4 + CH4(g) -9.56 -12.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.33 -11.44 -3.10 H2 + H2(g) -8.35 -11.45 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.64 -16.57 -7.94 H2S + H2S(g) -8.70 -16.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.62 -69.52 -2.89 O2 + O2(g) -66.59 -69.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.23 -1.35 4.88 S + Sulfur -6.27 -1.39 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -88572,7 +88105,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.305e-13 Surface + diffuse layer charge, eq + -1.280e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -88582,7 +88115,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -88591,10 +88124,10 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6661e-10 + Cl 4.6662e-10 H 1.2947e-04 Hto 5.8080e-08 - I 7.3295e-20 + I 7.3268e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -88629,18 +88162,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.047 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.042 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.967e-09 + Electrical balance (eq) = 1.707e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -88654,15 +88187,15 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.846e-12 - CH4 2.846e-12 3.095e-12 -11.546 -11.509 0.036 35.46 +C(-4) 2.635e-12 + CH4 2.635e-12 2.865e-12 -11.579 -11.543 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 @@ -88673,14 +88206,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 1.066e-11 - H2 5.330e-12 5.794e-12 -11.273 -11.237 0.036 28.61 +H(0) 1.046e-11 + H2 5.228e-12 5.684e-12 -11.282 -11.245 0.036 28.61 Hto 4.922e-07 Hto 4.922e-07 4.922e-07 -6.308 -6.308 0.000 (0) I 6.220e-07 @@ -88700,16 +88233,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.072e-07 Nat+ 3.072e-07 3.072e-07 -6.513 -6.513 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.951 -69.915 0.036 30.40 -S(-2) 4.462e-09 - HS- 3.120e-09 2.054e-09 -8.506 -8.687 -0.182 21.14 - H2S 1.342e-09 1.459e-09 -8.872 -8.836 0.036 36.27 - S-2 1.266e-14 3.052e-15 -13.898 -14.515 -0.618 (0) - (H2S)2 1.032e-19 1.122e-19 -18.986 -18.950 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.934 -69.898 0.036 30.40 +S(-2) 4.130e-09 + HS- 2.888e-09 1.901e-09 -8.539 -8.721 -0.182 21.14 + H2S 1.243e-09 1.351e-09 -8.906 -8.869 0.036 36.27 + S-2 1.172e-14 2.825e-15 -13.931 -14.549 -0.618 (0) + (H2S)2 8.845e-20 9.617e-20 -19.053 -19.017 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -88736,21 +88268,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.71 -11.51 -2.80 CH4 + CH4(g) -8.74 -11.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.14 -11.24 -3.10 H2 + H2(g) -8.14 -11.25 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.84 -15.78 -7.94 H2S + H2S(g) -7.87 -15.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.02 -69.91 -2.89 O2 + O2(g) -67.01 -69.90 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.63 -0.75 4.88 S + Sulfur -5.66 -0.77 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -88774,7 +88306,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.122e-11 Surface + diffuse layer charge, eq + -9.109e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -88784,7 +88316,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -88793,14 +88325,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6640e-10 + Cl 4.6641e-10 H 1.2948e-04 Hto 2.5431e-08 - I 2.8806e-20 + I 2.8809e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.0621e-08 + Nat 6.0619e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -88831,18 +88363,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.133 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.132 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.327e-09 + Electrical balance (eq) = 4.712e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -88856,33 +88388,33 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.401e-11 - CH4 1.401e-11 1.524e-11 -10.853 -10.817 0.036 35.46 +C(-4) 1.368e-11 + CH4 1.368e-11 1.487e-11 -10.864 -10.828 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.011e-06 9.797e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.588e-11 - H2 7.939e-12 8.632e-12 -11.100 -11.064 0.036 28.61 +H(0) 1.578e-11 + H2 7.892e-12 8.580e-12 -11.103 -11.067 0.036 28.61 Hto 2.155e-07 Hto 2.155e-07 2.155e-07 -6.667 -6.667 0.000 (0) I 2.445e-07 @@ -88902,16 +88434,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.032e-07 Nat+ 1.032e-07 1.032e-07 -6.987 -6.987 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.297 -70.261 0.036 30.40 -S(-2) 2.196e-08 - HS- 1.536e-08 1.011e-08 -7.814 -7.995 -0.182 21.14 - H2S 6.605e-09 7.181e-09 -8.180 -8.144 0.036 36.27 - S-2 6.236e-14 1.503e-14 -13.205 -13.823 -0.618 (0) - (H2S)2 2.499e-18 2.717e-18 -17.602 -17.566 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.292 -70.256 0.036 30.40 +S(-2) 2.144e-08 + HS- 1.499e-08 9.869e-09 -7.824 -8.006 -0.182 21.14 + H2S 6.448e-09 7.010e-09 -8.191 -8.154 0.036 36.27 + S-2 6.087e-14 1.467e-14 -13.216 -13.833 -0.618 (0) + (H2S)2 2.382e-18 2.589e-18 -17.623 -17.587 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -88926,7 +88457,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.532e-08 7.102e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -88938,21 +88469,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.02 -10.82 -2.80 CH4 + CH4(g) -8.03 -10.83 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 + H2(g) -7.97 -11.07 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.15 -15.09 -7.94 H2S + H2S(g) -7.16 -15.10 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.37 -70.26 -2.89 O2 + O2(g) -67.36 -70.26 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.11 -0.23 4.88 S + Sulfur -5.12 -0.24 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -88976,7 +88507,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.202e-11 Surface + diffuse layer charge, eq + -9.204e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -88986,7 +88517,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -88997,12 +88528,12 @@ Su Ca 7.1884e-02 Cl 4.6634e-10 H 1.2948e-04 - Hto 7.9404e-09 - I 7.9078e-21 + Hto 7.9402e-09 + I 7.9095e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2894e-08 + Nat 1.2893e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -89021,7 +88552,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.729e-08 7.928e-09 + Hto 6.729e-08 7.927e-09 I 6.713e-08 7.908e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -89033,21 +88564,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.146 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.461e-10 + Electrical balance (eq) = 9.587e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -89058,8 +88589,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.724e-11 - CH4 1.724e-11 1.874e-11 -10.764 -10.727 0.036 35.46 +C(-4) 1.757e-11 + CH4 1.757e-11 1.910e-11 -10.755 -10.719 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -89071,7 +88602,7 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -89083,8 +88614,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.672e-11 - H2 8.361e-12 9.091e-12 -11.078 -11.041 0.036 28.61 +H(0) 1.680e-11 + H2 8.401e-12 9.134e-12 -11.076 -11.039 0.036 28.61 Hto 6.729e-08 Hto 6.729e-08 6.729e-08 -7.172 -7.172 0.000 (0) I 6.713e-08 @@ -89099,21 +88630,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.194e-08 Nat+ 2.194e-08 2.194e-08 -7.659 -7.659 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.342 -70.306 0.036 30.40 -S(-2) 2.701e-08 - HS- 1.889e-08 1.244e-08 -7.724 -7.905 -0.182 21.14 - H2S 8.123e-09 8.832e-09 -8.090 -8.054 0.036 36.27 - S-2 7.671e-14 1.849e-14 -13.115 -13.733 -0.618 (0) - (H2S)2 3.781e-18 4.110e-18 -17.422 -17.386 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.346 -70.310 0.036 30.40 +S(-2) 2.753e-08 + HS- 1.925e-08 1.267e-08 -7.716 -7.897 -0.182 21.14 + H2S 8.279e-09 9.001e-09 -8.082 -8.046 0.036 36.27 + S-2 7.818e-14 1.885e-14 -13.107 -13.725 -0.618 (0) + (H2S)2 3.927e-18 4.270e-18 -17.406 -17.370 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -89128,7 +88658,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -89140,19 +88670,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.93 -10.73 -2.80 CH4 + CH4(g) -7.92 -10.72 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.06 -15.00 -7.94 H2S + H2S(g) -7.05 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.41 -70.31 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -89178,7 +88708,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.187e-11 Surface + diffuse layer charge, eq + -9.211e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -89188,7 +88718,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -89197,14 +88727,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 - Hto 1.8544e-09 - I 1.6041e-21 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 1.8543e-09 + I 1.6039e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9368e-09 + Nat 1.9366e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -89223,30 +88753,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.572e-08 1.851e-09 + Hto 1.571e-08 1.851e-09 I 1.361e-08 1.604e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.296e-09 3.883e-10 + Nat 3.295e-09 3.882e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.147 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.150 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.412e-10 + Electrical balance (eq) = 9.444e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -89258,19 +88788,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.815e-11 - CH4 1.815e-11 1.974e-11 -10.741 -10.705 0.036 35.46 +C(-4) 1.896e-11 + CH4 1.896e-11 2.061e-11 -10.722 -10.686 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 @@ -89279,16 +88809,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.694e-11 - H2 8.471e-12 9.210e-12 -11.072 -11.036 0.036 28.61 -Hto 1.572e-08 - Hto 1.572e-08 1.572e-08 -7.804 -7.804 0.000 (0) +H(0) 1.713e-11 + H2 8.563e-12 9.310e-12 -11.067 -11.031 0.036 28.61 +Hto 1.571e-08 + Hto 1.571e-08 1.571e-08 -7.804 -7.804 0.000 (0) I 1.361e-08 I- 1.361e-08 1.361e-08 -7.866 -7.866 -0.000 (0) K 1.540e-03 @@ -89300,22 +88830,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.296e-09 - Nat+ 3.296e-09 3.296e-09 -8.482 -8.482 -0.000 (0) +Nat 3.295e-09 + Nat+ 3.295e-09 3.295e-09 -8.482 -8.482 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.354 -70.317 0.036 30.40 -S(-2) 2.845e-08 - HS- 1.990e-08 1.310e-08 -7.701 -7.883 -0.182 21.14 - H2S 8.556e-09 9.302e-09 -8.068 -8.031 0.036 36.27 - S-2 8.080e-14 1.948e-14 -13.093 -13.710 -0.618 (0) - (H2S)2 4.194e-18 4.560e-18 -17.377 -17.341 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.363 -70.327 0.036 30.40 +S(-2) 2.971e-08 + HS- 2.078e-08 1.368e-08 -7.682 -7.864 -0.182 21.14 + H2S 8.934e-09 9.714e-09 -8.049 -8.013 0.036 36.27 + S-2 8.438e-14 2.034e-14 -13.074 -13.692 -0.618 (0) + (H2S)2 4.573e-18 4.972e-18 -17.340 -17.303 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -89331,7 +88860,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -89342,21 +88871,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.88 -10.69 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.04 -14.97 -7.94 H2S + H2S(g) -7.02 -14.95 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.32 -2.89 O2 + O2(g) -67.43 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.03 -0.15 4.88 S + Sulfur -5.01 -0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -89380,7 +88909,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.173e-11 Surface + diffuse layer charge, eq + -9.201e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -89390,7 +88919,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -89399,14 +88928,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 - Hto 3.3552e-10 - I 2.5012e-22 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 3.3550e-10 + I 2.5007e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1837e-10 + Nat 2.1835e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -89430,25 +88959,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.716e-10 4.378e-11 + Nat 3.715e-10 4.377e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.416e-10 + Electrical balance (eq) = 9.521e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -89462,33 +88991,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.837e-11 - CH4 1.837e-11 1.997e-11 -10.736 -10.700 0.036 35.46 +C(-4) 1.933e-11 + CH4 1.933e-11 2.101e-11 -10.714 -10.678 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.699e-11 - H2 8.496e-12 9.237e-12 -11.071 -11.034 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.721e-11 + H2 8.604e-12 9.355e-12 -11.065 -11.029 0.036 28.61 Hto 2.843e-09 Hto 2.843e-09 2.843e-09 -8.546 -8.546 0.000 (0) I 2.123e-09 @@ -89502,22 +89031,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.716e-10 - Nat+ 3.716e-10 3.716e-10 -9.430 -9.430 -0.000 (0) +Nat 3.715e-10 + Nat+ 3.715e-10 3.715e-10 -9.430 -9.430 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 -S(-2) 2.879e-08 - HS- 2.014e-08 1.326e-08 -7.696 -7.878 -0.182 21.14 - H2S 8.658e-09 9.414e-09 -8.063 -8.026 0.036 36.27 - S-2 8.177e-14 1.971e-14 -13.087 -13.705 -0.618 (0) - (H2S)2 4.295e-18 4.670e-18 -17.367 -17.331 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.367 -70.331 0.036 30.40 +S(-2) 3.029e-08 + HS- 2.118e-08 1.394e-08 -7.674 -7.856 -0.182 21.14 + H2S 9.107e-09 9.902e-09 -8.041 -8.004 0.036 36.27 + S-2 8.601e-14 2.073e-14 -13.065 -13.683 -0.618 (0) + (H2S)2 4.752e-18 5.166e-18 -17.323 -17.287 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -89527,13 +89055,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -89544,21 +89072,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.88 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.95 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -89582,7 +89110,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.167e-11 Surface + diffuse layer charge, eq + -9.195e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -89592,7 +89120,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -89601,14 +89129,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 - Hto 4.8221e-11 - I 3.0825e-23 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 4.8217e-11 + I 3.0819e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9187e-11 + Nat 1.9184e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -89632,25 +89160,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.265e-11 3.846e-12 + Nat 3.264e-11 3.846e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.423e-10 + Electrical balance (eq) = 9.553e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -89664,33 +89192,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.837e-11 - CH4 1.837e-11 1.997e-11 -10.736 -10.700 0.036 35.46 +C(-4) 1.935e-11 + CH4 1.935e-11 2.104e-11 -10.713 -10.677 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.699e-11 - H2 8.496e-12 9.237e-12 -11.071 -11.034 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.721e-11 + H2 8.607e-12 9.358e-12 -11.065 -11.029 0.036 28.61 Hto 4.086e-10 Hto 4.086e-10 4.086e-10 -9.389 -9.389 0.000 (0) I 2.616e-10 @@ -89704,22 +89232,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.265e-11 - Nat+ 3.265e-11 3.265e-11 -10.486 -10.486 -0.000 (0) +Nat 3.264e-11 + Nat+ 3.264e-11 3.264e-11 -10.486 -10.486 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.356 -70.320 0.036 30.40 -S(-2) 2.879e-08 - HS- 2.013e-08 1.325e-08 -7.696 -7.878 -0.182 21.14 - H2S 8.658e-09 9.413e-09 -8.063 -8.026 0.036 36.27 - S-2 8.177e-14 1.971e-14 -13.087 -13.705 -0.618 (0) - (H2S)2 4.295e-18 4.669e-18 -17.367 -17.331 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.367 -70.331 0.036 30.40 +S(-2) 3.033e-08 + HS- 2.121e-08 1.396e-08 -7.673 -7.855 -0.182 21.14 + H2S 9.120e-09 9.916e-09 -8.040 -8.004 0.036 36.27 + S-2 8.614e-14 2.076e-14 -13.065 -13.683 -0.618 (0) + (H2S)2 4.766e-18 5.181e-18 -17.322 -17.286 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -89729,13 +89256,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -89746,21 +89273,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.88 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.95 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -89784,7 +89311,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.163e-11 Surface + diffuse layer charge, eq + -9.191e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -89794,7 +89321,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -89803,14 +89330,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 - Hto 5.6023e-12 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 5.6018e-12 I 3.0599e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3460e-12 + Nat 1.3458e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -89829,7 +89356,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.748e-11 5.593e-12 + Hto 4.747e-11 5.593e-12 I 2.597e-11 3.059e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -89841,18 +89368,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.147 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.150 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.424e-10 + Electrical balance (eq) = 9.574e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -89864,37 +89391,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.817e-11 - CH4 1.817e-11 1.976e-11 -10.741 -10.704 0.036 35.46 +C(-4) 1.916e-11 + CH4 1.916e-11 2.083e-11 -10.718 -10.681 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.695e-11 - H2 8.473e-12 9.212e-12 -11.072 -11.036 0.036 28.61 -Hto 4.748e-11 - Hto 4.748e-11 4.748e-11 -10.324 -10.324 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.717e-11 + H2 8.585e-12 9.334e-12 -11.066 -11.030 0.036 28.61 +Hto 4.747e-11 + Hto 4.747e-11 4.747e-11 -10.324 -10.324 0.000 (0) I 2.597e-11 I- 2.597e-11 2.597e-11 -10.586 -10.586 -0.000 (0) K 1.540e-03 @@ -89906,22 +89433,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.290e-12 Nat+ 2.290e-12 2.290e-12 -11.640 -11.640 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.354 -70.317 0.036 30.40 -S(-2) 2.848e-08 - HS- 1.992e-08 1.311e-08 -7.701 -7.882 -0.182 21.14 - H2S 8.564e-09 9.311e-09 -8.067 -8.031 0.036 36.27 - S-2 8.088e-14 1.950e-14 -13.092 -13.710 -0.618 (0) - (H2S)2 4.202e-18 4.569e-18 -17.377 -17.340 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.365 -70.329 0.036 30.40 +S(-2) 3.002e-08 + HS- 2.100e-08 1.382e-08 -7.678 -7.859 -0.182 21.14 + H2S 9.028e-09 9.816e-09 -8.044 -8.008 0.036 36.27 + S-2 8.527e-14 2.055e-14 -13.069 -13.687 -0.618 (0) + (H2S)2 4.670e-18 5.077e-18 -17.331 -17.294 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -89931,13 +89457,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -89948,21 +89474,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.88 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.04 -14.97 -7.94 H2S + H2S(g) -7.01 -14.95 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.03 -0.15 4.88 S + Sulfur -5.01 -0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -89986,7 +89512,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.149e-11 Surface + diffuse layer charge, eq + -9.177e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -89996,7 +89522,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -90005,14 +89531,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 - Hto 5.3253e-13 - I 2.4789e-25 + Hto 5.3247e-13 + I 2.4794e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.6599e-14 + Nat 7.6585e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -90031,30 +89557,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.513e-12 5.317e-13 + Hto 4.512e-12 5.316e-13 I 2.104e-12 2.479e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.303e-13 1.536e-14 + Nat 1.303e-13 1.535e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.146 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.149 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.566e-10 + Electrical balance (eq) = 6.084e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -90066,10 +89592,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.770e-11 - CH4 1.770e-11 1.924e-11 -10.752 -10.716 0.036 35.46 +C(-4) 1.868e-11 + CH4 1.868e-11 2.031e-11 -10.729 -10.692 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -90081,8 +89607,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -90093,10 +89619,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.683e-11 - H2 8.417e-12 9.151e-12 -11.075 -11.039 0.036 28.61 -Hto 4.513e-12 - Hto 4.513e-12 4.513e-12 -11.346 -11.346 0.000 (0) +H(0) 1.706e-11 + H2 8.531e-12 9.276e-12 -11.069 -11.033 0.036 28.61 +Hto 4.512e-12 + Hto 4.512e-12 4.512e-12 -11.346 -11.346 0.000 (0) I 2.104e-12 I- 2.104e-12 2.104e-12 -11.677 -11.677 -0.000 (0) K 1.540e-03 @@ -90114,16 +89640,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.303e-13 Nat+ 1.303e-13 1.303e-13 -12.885 -12.885 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.348 -70.312 0.036 30.40 -S(-2) 2.773e-08 - HS- 1.939e-08 1.277e-08 -7.712 -7.894 -0.182 21.14 - H2S 8.339e-09 9.067e-09 -8.079 -8.043 0.036 36.27 - S-2 7.875e-14 1.898e-14 -13.104 -13.722 -0.618 (0) - (H2S)2 3.984e-18 4.332e-18 -17.400 -17.363 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.360 -70.323 0.036 30.40 +S(-2) 2.928e-08 + HS- 2.047e-08 1.348e-08 -7.689 -7.870 -0.182 21.14 + H2S 8.804e-09 9.572e-09 -8.055 -8.019 0.036 36.27 + S-2 8.314e-14 2.004e-14 -13.080 -13.698 -0.618 (0) + (H2S)2 4.440e-18 4.828e-18 -17.353 -17.316 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -90138,7 +89663,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -90150,21 +89675,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.91 -10.72 -2.80 CH4 + CH4(g) -7.89 -10.69 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.05 -14.98 -7.94 H2S + H2S(g) -7.02 -14.96 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.15 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -90188,7 +89713,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.140e-11 Surface + diffuse layer charge, eq + -9.168e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -90198,7 +89723,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -90207,14 +89732,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 - Hto 4.1736e-14 + Hto 4.1731e-14 I 1.6538e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5725e-15 + Nat 3.5717e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -90233,30 +89758,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.537e-13 4.167e-14 + Hto 3.537e-13 4.166e-14 I 1.403e-13 1.653e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.079e-15 7.162e-16 + Nat 6.078e-15 7.160e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.005e-09 + Electrical balance (eq) = 6.583e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -90268,10 +89793,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.747e-11 - CH4 1.747e-11 1.899e-11 -10.758 -10.721 0.036 35.46 +C(-4) 1.846e-11 + CH4 1.846e-11 2.007e-11 -10.734 -10.698 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -90283,8 +89808,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -90295,8 +89820,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.678e-11 - H2 8.390e-12 9.121e-12 -11.076 -11.040 0.036 28.61 +H(0) 1.701e-11 + H2 8.506e-12 9.248e-12 -11.070 -11.034 0.036 28.61 Hto 3.537e-13 Hto 3.537e-13 3.537e-13 -12.451 -12.451 0.000 (0) I 1.403e-13 @@ -90311,21 +89836,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 6.079e-15 - Nat+ 6.079e-15 6.079e-15 -14.216 -14.216 -0.000 (0) +Nat 6.078e-15 + Nat+ 6.078e-15 6.078e-15 -14.216 -14.216 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.345 -70.309 0.036 30.40 -S(-2) 2.738e-08 - HS- 1.915e-08 1.260e-08 -7.718 -7.899 -0.182 21.14 - H2S 8.233e-09 8.951e-09 -8.084 -8.048 0.036 36.27 - S-2 7.775e-14 1.874e-14 -13.109 -13.727 -0.618 (0) - (H2S)2 3.884e-18 4.222e-18 -17.411 -17.374 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 +S(-2) 2.892e-08 + HS- 2.023e-08 1.332e-08 -7.694 -7.876 -0.182 21.14 + H2S 8.697e-09 9.456e-09 -8.061 -8.024 0.036 36.27 + S-2 8.214e-14 1.980e-14 -13.085 -13.703 -0.618 (0) + (H2S)2 4.334e-18 4.712e-18 -17.363 -17.327 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -90340,7 +89864,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -90352,21 +89876,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.05 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -90390,7 +89914,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.138e-11 Surface + diffuse layer charge, eq + -9.166e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -90400,7 +89924,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -90409,14 +89933,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 - Hto 2.7080e-15 - I 9.1173e-28 + Hto 2.7076e-15 + I 9.1192e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3732e-16 + Nat 1.3729e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -90435,30 +89959,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.295e-14 2.704e-15 + Hto 2.295e-14 2.703e-15 I 7.738e-15 9.117e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.337e-16 2.753e-17 + Nat 2.336e-16 2.752e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.485e-10 + Electrical balance (eq) = 2.021e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -90470,10 +89994,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.742e-11 - CH4 1.742e-11 1.894e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.840e-11 + CH4 1.840e-11 2.001e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -90485,8 +90009,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -90497,8 +90021,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.677e-11 - H2 8.383e-12 9.115e-12 -11.077 -11.040 0.036 28.61 +H(0) 1.700e-11 + H2 8.500e-12 9.241e-12 -11.071 -11.034 0.036 28.61 Hto 2.295e-14 Hto 2.295e-14 2.295e-14 -13.639 -13.639 0.000 (0) I 7.738e-15 @@ -90513,21 +90037,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.337e-16 - Nat+ 2.337e-16 2.337e-16 -15.631 -15.631 -0.000 (0) +Nat 2.336e-16 + Nat+ 2.336e-16 2.336e-16 -15.631 -15.631 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.345 -70.308 0.036 30.40 -S(-2) 2.730e-08 - HS- 1.909e-08 1.257e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.209e-09 8.925e-09 -8.086 -8.049 0.036 36.27 - S-2 7.752e-14 1.869e-14 -13.111 -13.728 -0.618 (0) - (H2S)2 3.860e-18 4.197e-18 -17.413 -17.377 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.357 -70.320 0.036 30.40 +S(-2) 2.884e-08 + HS- 2.017e-08 1.328e-08 -7.695 -7.877 -0.182 21.14 + H2S 8.673e-09 9.429e-09 -8.062 -8.026 0.036 36.27 + S-2 8.191e-14 1.974e-14 -13.087 -13.705 -0.618 (0) + (H2S)2 4.309e-18 4.685e-18 -17.366 -17.329 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -90542,7 +90065,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -90554,21 +90077,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.05 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -90592,7 +90115,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.137e-11 Surface + diffuse layer charge, eq + -9.165e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -90602,7 +90125,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -90611,14 +90134,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 - Hto 1.4559e-16 - I 4.1619e-29 + Hto 1.4557e-16 + I 4.1606e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3592e-18 + Nat 4.3580e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -90637,30 +90160,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.234e-15 1.454e-16 + Hto 1.234e-15 1.453e-16 I 3.532e-16 4.161e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.418e-18 8.739e-19 + Nat 7.416e-18 8.736e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.342e-10 + Electrical balance (eq) = 1.878e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -90672,10 +90195,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.742e-11 - CH4 1.742e-11 1.894e-11 -10.759 -10.723 0.036 35.46 +C(-4) 1.841e-11 + CH4 1.841e-11 2.002e-11 -10.735 -10.699 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -90687,8 +90210,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -90699,8 +90222,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.677e-11 - H2 8.384e-12 9.116e-12 -11.077 -11.040 0.036 28.61 +H(0) 1.700e-11 + H2 8.500e-12 9.242e-12 -11.071 -11.034 0.036 28.61 Hto 1.234e-15 Hto 1.234e-15 1.234e-15 -14.909 -14.909 0.000 (0) I 3.532e-16 @@ -90715,21 +90238,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.418e-18 - Nat+ 7.418e-18 7.418e-18 -17.130 -17.130 -0.000 (0) +Nat 7.416e-18 + Nat+ 7.416e-18 7.416e-18 -17.130 -17.130 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.345 -70.308 0.036 30.40 -S(-2) 2.731e-08 - HS- 1.910e-08 1.257e-08 -7.719 -7.901 -0.182 21.14 - H2S 8.212e-09 8.928e-09 -8.086 -8.049 0.036 36.27 - S-2 7.755e-14 1.869e-14 -13.110 -13.728 -0.618 (0) - (H2S)2 3.864e-18 4.201e-18 -17.413 -17.377 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.357 -70.320 0.036 30.40 +S(-2) 2.885e-08 + HS- 2.018e-08 1.328e-08 -7.695 -7.877 -0.182 21.14 + H2S 8.676e-09 9.433e-09 -8.062 -8.025 0.036 36.27 + S-2 8.194e-14 1.975e-14 -13.087 -13.704 -0.618 (0) + (H2S)2 4.313e-18 4.689e-18 -17.365 -17.329 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -90744,7 +90266,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -90756,21 +90278,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.90 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.05 -14.99 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -90794,7 +90316,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.142e-11 Surface + diffuse layer charge, eq + -9.170e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -90804,7 +90326,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -90813,14 +90335,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6634e-10 + Cl 4.6632e-10 H 1.2948e-04 - Hto 6.4707e-18 - I 1.5689e-30 + Hto 6.4695e-18 + I 1.5685e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1409e-19 + Nat 1.1405e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -90839,30 +90361,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.484e-17 6.460e-18 + Hto 5.483e-17 6.459e-18 I 1.332e-17 1.569e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.941e-19 2.287e-20 + Nat 1.941e-19 2.286e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.146 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.149 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.026e-09 + Electrical balance (eq) = 1.680e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -90874,10 +90396,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.758e-11 - CH4 1.758e-11 1.911e-11 -10.755 -10.719 0.036 35.46 +C(-4) 1.856e-11 + CH4 1.856e-11 2.018e-11 -10.731 -10.695 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -90889,8 +90411,8 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -90901,10 +90423,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.680e-11 - H2 8.402e-12 9.135e-12 -11.076 -11.039 0.036 28.61 -Hto 5.484e-17 - Hto 5.484e-17 5.484e-17 -16.261 -16.261 0.000 (0) +H(0) 1.704e-11 + H2 8.518e-12 9.261e-12 -11.070 -11.033 0.036 28.61 +Hto 5.483e-17 + Hto 5.483e-17 5.483e-17 -16.261 -16.261 0.000 (0) I 1.332e-17 I- 1.332e-17 1.332e-17 -16.876 -16.876 -0.000 (0) K 1.540e-03 @@ -90917,21 +90439,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.941e-19 Nat+ 1.941e-19 1.941e-19 -18.712 -18.712 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.347 -70.310 0.036 30.40 -S(-2) 2.755e-08 - HS- 1.926e-08 1.268e-08 -7.715 -7.897 -0.182 21.14 - H2S 8.284e-09 9.006e-09 -8.082 -8.045 0.036 36.27 - S-2 7.823e-14 1.886e-14 -13.107 -13.725 -0.618 (0) - (H2S)2 3.931e-18 4.274e-18 -17.405 -17.369 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.358 -70.322 0.036 30.40 +S(-2) 2.909e-08 + HS- 2.034e-08 1.339e-08 -7.692 -7.873 -0.182 21.14 + H2S 8.748e-09 9.511e-09 -8.058 -8.022 0.036 36.27 + S-2 8.262e-14 1.992e-14 -13.083 -13.701 -0.618 (0) + (H2S)2 4.384e-18 4.767e-18 -17.358 -17.322 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -90946,7 +90467,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -90958,21 +90479,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.89 -10.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.05 -14.99 -7.94 H2S + H2S(g) -7.03 -14.96 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.04 -0.16 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -90996,7 +90517,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.156e-11 Surface + diffuse layer charge, eq + -9.185e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -91006,7 +90527,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -91015,14 +90536,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 - Hto 2.3633e-19 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 2.3628e-19 I 4.8570e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4486e-21 + Nat 2.4478e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -91041,30 +90562,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.003e-18 2.359e-19 + Hto 2.002e-18 2.359e-19 I 4.122e-19 4.857e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.167e-21 4.909e-22 + Nat 4.165e-21 4.907e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.428e-10 + Electrical balance (eq) = 9.619e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -91076,37 +90597,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.822e-11 - CH4 1.822e-11 1.981e-11 -10.739 -10.703 0.036 35.46 +C(-4) 1.921e-11 + CH4 1.921e-11 2.089e-11 -10.716 -10.680 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.696e-11 - H2 8.479e-12 9.218e-12 -11.072 -11.035 0.036 28.61 -Hto 2.003e-18 - Hto 2.003e-18 2.003e-18 -17.698 -17.698 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.718e-11 + H2 8.591e-12 9.341e-12 -11.066 -11.030 0.036 28.61 +Hto 2.002e-18 + Hto 2.002e-18 2.002e-18 -17.698 -17.698 0.000 (0) I 4.122e-19 I- 4.122e-19 4.122e-19 -18.385 -18.385 -0.000 (0) K 1.540e-03 @@ -91118,22 +90639,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.167e-21 - Nat+ 4.167e-21 4.167e-21 -20.380 -20.380 -0.000 (0) +Nat 4.165e-21 + Nat+ 4.165e-21 4.165e-21 -20.380 -20.380 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.354 -70.318 0.036 30.40 -S(-2) 2.856e-08 - HS- 1.997e-08 1.315e-08 -7.700 -7.881 -0.182 21.14 - H2S 8.588e-09 9.337e-09 -8.066 -8.030 0.036 36.27 - S-2 8.111e-14 1.955e-14 -13.091 -13.709 -0.618 (0) - (H2S)2 4.226e-18 4.594e-18 -17.374 -17.338 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.366 -70.330 0.036 30.40 +S(-2) 3.010e-08 + HS- 2.105e-08 1.386e-08 -7.677 -7.858 -0.182 21.14 + H2S 9.052e-09 9.842e-09 -8.043 -8.007 0.036 36.27 + S-2 8.550e-14 2.061e-14 -13.068 -13.686 -0.618 (0) + (H2S)2 4.695e-18 5.104e-18 -17.328 -17.292 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -91143,13 +90663,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -91160,21 +90680,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.88 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.04 -14.97 -7.94 H2S + H2S(g) -7.01 -14.95 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.03 -0.14 4.88 S + Sulfur -5.01 -0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -91198,7 +90718,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.165e-11 Surface + diffuse layer charge, eq + -9.193e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -91208,7 +90728,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -91217,14 +90737,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 - Hto 7.0218e-21 - I 1.2227e-33 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 7.0203e-21 + I 1.2225e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2636e-23 + Nat 4.2621e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -91243,30 +90763,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.951e-20 7.011e-21 + Hto 5.949e-20 7.009e-21 I 1.038e-20 1.223e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.255e-23 8.547e-24 + Nat 7.252e-23 8.544e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.424e-10 + Electrical balance (eq) = 9.563e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -91280,35 +90800,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.841e-11 - CH4 1.841e-11 2.001e-11 -10.735 -10.699 0.036 35.46 +C(-4) 1.939e-11 + CH4 1.939e-11 2.108e-11 -10.712 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.700e-11 - H2 8.500e-12 9.241e-12 -11.071 -11.034 0.036 28.61 -Hto 5.951e-20 - Hto 5.951e-20 5.951e-20 -19.225 -19.225 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.722e-11 + H2 8.611e-12 9.363e-12 -11.065 -11.029 0.036 28.61 +Hto 5.949e-20 + Hto 5.949e-20 5.949e-20 -19.226 -19.226 0.000 (0) I 1.038e-20 I- 1.038e-20 1.038e-20 -19.984 -19.984 -0.000 (0) K 1.540e-03 @@ -91320,22 +90840,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.255e-23 - Nat+ 7.255e-23 7.255e-23 -22.139 -22.139 -0.000 (0) +Nat 7.252e-23 + Nat+ 7.252e-23 7.252e-23 -22.140 -22.140 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.320 0.036 30.40 -S(-2) 2.885e-08 - HS- 2.017e-08 1.328e-08 -7.695 -7.877 -0.182 21.14 - H2S 8.674e-09 9.431e-09 -8.062 -8.025 0.036 36.27 - S-2 8.192e-14 1.975e-14 -13.087 -13.705 -0.618 (0) - (H2S)2 4.310e-18 4.686e-18 -17.365 -17.329 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.039e-08 + HS- 2.125e-08 1.399e-08 -7.673 -7.854 -0.182 21.14 + H2S 9.138e-09 9.935e-09 -8.039 -8.003 0.036 36.27 + S-2 8.631e-14 2.080e-14 -13.064 -13.682 -0.618 (0) + (H2S)2 4.784e-18 5.201e-18 -17.320 -17.284 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -91345,13 +90864,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -91362,21 +90881,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -91400,7 +90919,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.166e-11 Surface + diffuse layer charge, eq + -9.194e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -91410,7 +90929,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -91419,14 +90938,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 - Hto 1.6706e-22 - I 2.4600e-35 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 1.6702e-22 + I 2.4597e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3970e-25 + Nat 5.3949e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -91445,30 +90964,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.416e-21 1.668e-22 + Hto 1.415e-21 1.668e-22 I 2.088e-22 2.460e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.184e-25 1.082e-25 + Nat 9.180e-25 1.081e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.422e-10 + Electrical balance (eq) = 9.560e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -91482,35 +91001,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.843e-11 - CH4 1.843e-11 2.003e-11 -10.735 -10.698 0.036 35.46 +C(-4) 1.941e-11 + CH4 1.941e-11 2.111e-11 -10.712 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.700e-11 - H2 8.502e-12 9.244e-12 -11.070 -11.034 0.036 28.61 -Hto 1.416e-21 - Hto 1.416e-21 1.416e-21 -20.849 -20.849 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.614e-12 9.365e-12 -11.065 -11.028 0.036 28.61 +Hto 1.415e-21 + Hto 1.415e-21 1.415e-21 -20.849 -20.849 0.000 (0) I 2.088e-22 I- 2.088e-22 2.088e-22 -21.680 -21.680 -0.000 (0) K 1.540e-03 @@ -91522,22 +91041,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 9.184e-25 - Nat+ 9.184e-25 9.184e-25 -24.037 -24.037 -0.000 (0) +Nat 9.180e-25 + Nat+ 9.180e-25 9.180e-25 -24.037 -24.037 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.888e-08 - HS- 2.020e-08 1.330e-08 -7.695 -7.876 -0.182 21.14 - H2S 8.684e-09 9.442e-09 -8.061 -8.025 0.036 36.27 - S-2 8.201e-14 1.977e-14 -13.086 -13.704 -0.618 (0) - (H2S)2 4.321e-18 4.698e-18 -17.364 -17.328 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.042e-08 + HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 + H2S 9.148e-09 9.946e-09 -8.039 -8.002 0.036 36.27 + S-2 8.641e-14 2.083e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.795e-18 5.213e-18 -17.319 -17.283 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -91547,13 +91065,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -91564,21 +91082,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -91602,7 +91120,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.166e-11 Surface + diffuse layer charge, eq + -9.194e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -91612,7 +91130,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -91621,10 +91139,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 - Hto 3.0948e-24 - I 3.0889e-37 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 3.0940e-24 + I 3.0884e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -91646,7 +91164,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.623e-23 3.090e-24 + Hto 2.622e-23 3.089e-24 I 2.621e-24 3.088e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -91657,18 +91175,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.421e-10 + Electrical balance (eq) = 9.560e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -91682,35 +91200,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.843e-11 - CH4 1.843e-11 2.004e-11 -10.735 -10.698 0.036 35.46 +C(-4) 1.941e-11 + CH4 1.941e-11 2.111e-11 -10.712 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.701e-11 - H2 8.503e-12 9.244e-12 -11.070 -11.034 0.036 28.61 -Hto 2.623e-23 - Hto 2.623e-23 2.623e-23 -22.581 -22.581 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.614e-12 9.365e-12 -11.065 -11.028 0.036 28.61 +Hto 2.622e-23 + Hto 2.622e-23 2.622e-23 -22.581 -22.581 0.000 (0) I 2.621e-24 I- 2.621e-24 2.621e-24 -23.582 -23.582 -0.000 (0) K 1.540e-03 @@ -91722,20 +91240,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.888e-08 - HS- 2.020e-08 1.330e-08 -7.695 -7.876 -0.182 21.14 - H2S 8.685e-09 9.443e-09 -8.061 -8.025 0.036 36.27 - S-2 8.202e-14 1.977e-14 -13.086 -13.704 -0.618 (0) - (H2S)2 4.321e-18 4.698e-18 -17.364 -17.328 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.043e-08 + HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 + H2S 9.149e-09 9.947e-09 -8.039 -8.002 0.036 36.27 + S-2 8.641e-14 2.083e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.796e-18 5.214e-18 -17.319 -17.283 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -91745,13 +91262,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -91762,21 +91279,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -91800,7 +91317,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.166e-11 Surface + diffuse layer charge, eq + -9.194e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -91810,7 +91327,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -91819,8 +91336,8 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 - H 1.2948e-04 + Cl 4.6631e-10 + H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -91851,18 +91368,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.425e-10 + Electrical balance (eq) = 9.560e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -91876,33 +91393,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.843e-11 - CH4 1.843e-11 2.004e-11 -10.735 -10.698 0.036 35.46 +C(-4) 1.941e-11 + CH4 1.941e-11 2.111e-11 -10.712 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.700e-11 - H2 8.502e-12 9.244e-12 -11.070 -11.034 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.614e-12 9.365e-12 -11.065 -11.028 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -91912,20 +91429,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.888e-08 - HS- 2.020e-08 1.330e-08 -7.695 -7.876 -0.182 21.14 - H2S 8.685e-09 9.442e-09 -8.061 -8.025 0.036 36.27 - S-2 8.202e-14 1.977e-14 -13.086 -13.704 -0.618 (0) - (H2S)2 4.321e-18 4.698e-18 -17.364 -17.328 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.043e-08 + HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 + H2S 9.149e-09 9.947e-09 -8.039 -8.002 0.036 36.27 + S-2 8.641e-14 2.083e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.796e-18 5.214e-18 -17.319 -17.283 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -91935,13 +91451,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -91952,21 +91468,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -91990,7 +91506,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.166e-11 Surface + diffuse layer charge, eq + -9.194e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -92000,7 +91516,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -92009,8 +91525,8 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 + Cl 4.6631e-10 + H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -92041,18 +91557,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.423e-10 + Electrical balance (eq) = 9.560e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -92066,33 +91582,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.843e-11 - CH4 1.843e-11 2.004e-11 -10.735 -10.698 0.036 35.46 +C(-4) 1.941e-11 + CH4 1.941e-11 2.111e-11 -10.712 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.700e-11 - H2 8.502e-12 9.244e-12 -11.070 -11.034 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.614e-12 9.365e-12 -11.065 -11.028 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -92102,20 +91618,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.888e-08 - HS- 2.020e-08 1.330e-08 -7.695 -7.876 -0.182 21.14 - H2S 8.685e-09 9.442e-09 -8.061 -8.025 0.036 36.27 - S-2 8.202e-14 1.977e-14 -13.086 -13.704 -0.618 (0) - (H2S)2 4.321e-18 4.698e-18 -17.364 -17.328 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.043e-08 + HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 + H2S 9.149e-09 9.947e-09 -8.039 -8.002 0.036 36.27 + S-2 8.641e-14 2.083e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.796e-18 5.214e-18 -17.319 -17.283 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -92125,13 +91640,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -92142,21 +91657,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -92180,7 +91695,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.166e-11 Surface + diffuse layer charge, eq + -9.194e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -92190,7 +91705,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -92199,8 +91714,8 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 + Cl 4.6631e-10 + H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -92231,18 +91746,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.424e-10 + Electrical balance (eq) = 9.559e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -92256,33 +91771,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.843e-11 - CH4 1.843e-11 2.004e-11 -10.735 -10.698 0.036 35.46 +C(-4) 1.941e-11 + CH4 1.941e-11 2.111e-11 -10.712 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.701e-11 - H2 8.503e-12 9.244e-12 -11.070 -11.034 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.614e-12 9.365e-12 -11.065 -11.028 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -92292,20 +91807,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.888e-08 - HS- 2.020e-08 1.330e-08 -7.695 -7.876 -0.182 21.14 - H2S 8.685e-09 9.443e-09 -8.061 -8.025 0.036 36.27 - S-2 8.202e-14 1.977e-14 -13.086 -13.704 -0.618 (0) - (H2S)2 4.321e-18 4.698e-18 -17.364 -17.328 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.043e-08 + HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 + H2S 9.149e-09 9.947e-09 -8.039 -8.002 0.036 36.27 + S-2 8.641e-14 2.083e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.796e-18 5.214e-18 -17.319 -17.283 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -92315,13 +91829,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -92332,21 +91846,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -92370,7 +91884,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.166e-11 Surface + diffuse layer charge, eq + -9.194e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -92380,7 +91894,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -92389,8 +91903,8 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 + Cl 4.6631e-10 + H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -92421,18 +91935,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.421e-10 + Electrical balance (eq) = 9.559e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -92446,33 +91960,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.843e-11 - CH4 1.843e-11 2.004e-11 -10.734 -10.698 0.036 35.46 +C(-4) 1.941e-11 + CH4 1.941e-11 2.111e-11 -10.712 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.701e-11 - H2 8.503e-12 9.244e-12 -11.070 -11.034 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.614e-12 9.365e-12 -11.065 -11.028 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -92482,20 +91996,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.888e-08 - HS- 2.020e-08 1.330e-08 -7.695 -7.876 -0.182 21.14 - H2S 8.685e-09 9.443e-09 -8.061 -8.025 0.036 36.27 - S-2 8.202e-14 1.977e-14 -13.086 -13.704 -0.618 (0) - (H2S)2 4.322e-18 4.699e-18 -17.364 -17.328 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.043e-08 + HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 + H2S 9.149e-09 9.947e-09 -8.039 -8.002 0.036 36.27 + S-2 8.641e-14 2.083e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.796e-18 5.214e-18 -17.319 -17.283 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -92505,13 +92018,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -92522,21 +92035,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -92566,18 +92079,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -92591,8 +92104,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -92616,8 +92129,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -92637,16 +92150,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -92673,21 +92185,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -92715,18 +92227,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -92740,8 +92252,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -92765,8 +92277,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -92786,16 +92298,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -92822,21 +92333,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -92866,25 +92377,25 @@ Kinetics 3. K 1.540e-03 7.700e-04 Mg 1.720e-02 8.600e-03 Na 2.390e-01 1.195e-01 - Nat 3.777e-07 1.888e-07 + Nat 3.777e-07 1.889e-07 S 1.260e-02 6.300e-03 Sr 5.000e-04 2.500e-04 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.955 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.948 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -92898,8 +92409,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.296e-13 - CH4 5.296e-13 5.758e-13 -12.276 -12.240 0.036 35.46 +C(-4) 4.653e-13 + CH4 4.653e-13 5.059e-13 -12.332 -12.296 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -92912,7 +92423,7 @@ C(4) 2.744e-03 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 + (CO2)2 1.278e-09 1.390e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -92923,8 +92434,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 7.000e-12 - H2 3.500e-12 3.806e-12 -11.456 -11.420 0.036 28.61 +H(0) 6.778e-12 + H2 3.389e-12 3.684e-12 -11.470 -11.434 0.036 28.61 Hto 6.188e-07 Hto 6.188e-07 6.188e-07 -6.208 -6.208 0.000 (0) I 7.718e-07 @@ -92944,16 +92455,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.777e-07 Nat+ 3.777e-07 3.777e-07 -6.423 -6.423 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.586 -69.550 0.036 30.40 -S(-2) 8.302e-10 - HS- 5.805e-10 3.821e-10 -9.236 -9.418 -0.182 21.14 - H2S 2.498e-10 2.716e-10 -9.602 -9.566 0.036 36.27 - S-2 2.356e-15 5.678e-16 -14.628 -15.246 -0.618 (0) - (H2S)2 3.574e-21 3.886e-21 -20.447 -20.410 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.558 -69.522 0.036 30.40 +S(-2) 7.295e-10 + HS- 5.100e-10 3.357e-10 -9.292 -9.474 -0.182 21.14 + H2S 2.195e-10 2.386e-10 -9.659 -9.622 0.036 36.27 + S-2 2.070e-15 4.989e-16 -14.684 -15.302 -0.618 (0) + (H2S)2 2.759e-21 3.000e-21 -20.559 -20.523 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -92980,21 +92490,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.44 -12.24 -2.80 CH4 + CH4(g) -9.49 -12.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.32 -11.42 -3.10 H2 + H2(g) -8.33 -11.43 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.57 -16.51 -7.94 H2S + H2S(g) -8.63 -16.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.66 -69.55 -2.89 O2 + O2(g) -66.63 -69.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.18 -1.30 4.88 S + Sulfur -6.22 -1.34 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -93018,7 +92528,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -1.338e-13 Surface + diffuse layer charge, eq + -1.310e-13 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -93028,7 +92538,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -93040,7 +92550,7 @@ Su Cl 4.6661e-10 H 1.2947e-04 Hto 5.8017e-08 - I 7.3454e-20 + I 7.3467e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -93075,18 +92585,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.048 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.958e-09 + Electrical balance (eq) = 1.699e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (21 overall) Total H = 1.307864e+01 @@ -93098,10 +92608,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.125e-12 - CH4 3.125e-12 3.397e-12 -11.505 -11.469 0.036 35.46 +C(-4) 2.917e-12 + CH4 2.917e-12 3.172e-12 -11.535 -11.499 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -93112,7 +92622,7 @@ C(4) 2.744e-03 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 @@ -93121,12 +92631,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 1.091e-11 - H2 5.455e-12 5.931e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.072e-11 + H2 5.362e-12 5.830e-12 -11.271 -11.234 0.036 28.61 Hto 4.917e-07 Hto 4.917e-07 4.917e-07 -6.308 -6.308 0.000 (0) I 6.235e-07 @@ -93134,7 +92644,7 @@ I 6.235e-07 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -93146,16 +92656,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.056e-07 Nat+ 3.056e-07 3.056e-07 -6.515 -6.515 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.971 -69.935 0.036 30.40 -S(-2) 4.899e-09 - HS- 3.425e-09 2.255e-09 -8.465 -8.647 -0.182 21.14 - H2S 1.474e-09 1.602e-09 -8.832 -8.795 0.036 36.27 - S-2 1.390e-14 3.351e-15 -13.857 -14.475 -0.618 (0) - (H2S)2 1.244e-19 1.353e-19 -18.905 -18.869 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.956 -69.920 0.036 30.40 +S(-2) 4.574e-09 + HS- 3.198e-09 2.105e-09 -8.495 -8.677 -0.182 21.14 + H2S 1.376e-09 1.496e-09 -8.861 -8.825 0.036 36.27 + S-2 1.298e-14 3.128e-15 -13.887 -14.505 -0.618 (0) + (H2S)2 1.085e-19 1.179e-19 -18.965 -18.928 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -93165,7 +92674,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -93182,21 +92691,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.70 -11.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.83 -15.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.03 -69.92 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.62 -0.74 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -93220,209 +92729,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.141e-11 Surface + diffuse layer charge, eq - -3.770e-01 Surface charge, eq - -3.638e-01 sigma, C/m² - -1.203e-01 psi, V - 4.681e+00 -F*psi/RT - 1.079e+02 exp(-F*psi/RT) - 1.000e+05 specific area, m²/g - 1.000e+05 m² for 1.000e+00 g - - Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. - - Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = -4.125e-02 V. - Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). - - Element Moles - C 1.6144e-04 - Ca 7.1884e-02 - Cl 4.6639e-10 - H 1.2948e-04 - Hto 2.6239e-08 - I 2.9884e-20 - K 8.9156e-04 - Mg 4.6365e-02 - Na 1.3761e-01 - Nat 6.2963e-08 - O 1.7087e-03 - S 3.1372e-04 - Sr 1.3747e-03 - -Su - 3.770e-01 moles - Mole Log - Species Moles Fraction Molality Molality - - Su- 3.770e-01 1.000 3.200e+00 0.505 - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - C 2.744e-03 3.233e-04 - Ca 2.590e-02 3.051e-03 - Cl 3.000e-01 3.535e-02 - Hto 2.224e-07 2.620e-08 - I 2.537e-07 2.989e-08 - K 1.540e-03 1.814e-04 - Mg 1.720e-02 2.026e-03 - Na 2.390e-01 2.816e-02 - Nat 1.071e-07 1.262e-08 - S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 - -----------------------------Description of solution---------------------------- - - pH = 7.090 Charge balance - pe = -3.136 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 - Density (g/cm³) = 1.01108 - Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 - Activity of water = 0.990 - Ionic strength (mol/kgw) = 3.632e-01 - Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 - Total CO2 (mol/kg) = 2.744e-03 - Temperature (°C) = 25.00 - Electrical balance (eq) = 1.235e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (14 overall) - Total H = 1.307863e+01 - Total O = 6.546049e+00 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 - H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.472e-11 - CH4 1.472e-11 1.601e-11 -10.832 -10.796 0.036 35.46 -C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 -Ca 2.590e-02 - Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) -Cl 3.000e-01 - Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.608e-11 - H2 8.038e-12 8.739e-12 -11.095 -11.059 0.036 28.61 -Hto 2.224e-07 - Hto 2.224e-07 2.224e-07 -6.653 -6.653 0.000 (0) -I 2.537e-07 - I- 2.537e-07 2.537e-07 -6.596 -6.596 -0.000 (0) -K 1.540e-03 - K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 -Mg 1.720e-02 - Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) -Na 2.390e-01 - Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.071e-07 - Nat+ 1.071e-07 1.071e-07 -6.970 -6.970 -0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.308 -70.272 0.036 30.40 -S(-2) 2.307e-08 - HS- 1.614e-08 1.062e-08 -7.792 -7.974 -0.182 21.14 - H2S 6.939e-09 7.545e-09 -8.159 -8.122 0.036 36.27 - S-2 6.552e-14 1.579e-14 -13.184 -13.802 -0.618 (0) - (H2S)2 2.759e-18 2.999e-18 -17.559 -17.523 0.036 30.09 -S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) -Sr 5.000e-04 - Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - Anhydrite -0.81 -5.09 -4.28 CaSO4 - Aragonite 0.10 -8.23 -8.34 CaCO3 - Arcanite -7.03 -8.91 -1.88 K2SO4 - Calcite 0.25 -8.23 -8.48 CaCO3 - Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.99 -10.80 -2.80 CH4 - CO2(g) -2.09 -3.56 -1.47 CO2 - Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 - Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O - Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.96 -11.06 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.13 -15.06 -7.94 H2S - Halite -3.04 -1.47 1.57 NaCl - Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O - Kieserite -4.08 -5.24 -1.16 MgSO4:H2O - Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.38 -70.27 -2.89 O2 - Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.10 -0.21 4.88 S - Sylvite -4.59 -3.69 0.90 KCl - Thenardite -4.16 -4.46 -0.30 Na2SO4 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Using solution 6. Solution after simulation 4. -Using surface 6. -Using kinetics 6. - -Kinetics 6. - - Time: 1.26e+07 seconds - Time step: 600000 seconds - - Rate name Delta Moles Total Moles Reactant Coefficient - - -------------------------------Surface composition------------------------------ - -Diffuse Double Layer Surface-Complexation Model - -Su - -9.231e-11 Surface + diffuse layer charge, eq + -9.130e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -93432,7 +92739,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -93441,14 +92748,215 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6633e-10 + Cl 4.6640e-10 H 1.2948e-04 - Hto 8.5483e-09 + Hto 2.6239e-08 + I 2.9884e-20 + K 8.9156e-04 + Mg 4.6365e-02 + Na 1.3761e-01 + Nat 6.2962e-08 + O 1.7087e-03 + S 3.1372e-04 + Sr 1.3747e-03 + +Su + 3.770e-01 moles + Mole Log + Species Moles Fraction Molality Molality + + Su- 3.770e-01 1.000 3.200e+00 0.505 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + C 2.744e-03 3.233e-04 + Ca 2.590e-02 3.051e-03 + Cl 3.000e-01 3.535e-02 + Hto 2.224e-07 2.620e-08 + I 2.537e-07 2.989e-08 + K 1.540e-03 1.814e-04 + Mg 1.720e-02 2.026e-03 + Na 2.390e-01 2.816e-02 + Nat 1.071e-07 1.262e-08 + S 1.260e-02 1.484e-03 + Sr 5.000e-04 5.890e-05 + +----------------------------Description of solution---------------------------- + + pH = 7.090 Charge balance + pe = -3.135 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 + Density (g/cm³) = 1.01108 + Volume (L) = 0.11874 + Viscosity (mPa s) = 0.92734 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.632e-01 + Mass of water (kg) = 1.178e-01 + Total alkalinity (eq/kg) = 2.500e-03 + Total CO2 (mol/kg) = 2.744e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = 4.621e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 0 (14 overall) + Total H = 1.307864e+01 + Total O = 6.546049e+00 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.048e-07 8.124e-08 -6.980 -7.090 -0.110 0.00 + H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 +C(-4) 1.442e-11 + CH4 1.442e-11 1.568e-11 -10.841 -10.805 0.036 35.46 +C(4) 2.744e-03 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.604e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 +Ca 2.590e-02 + Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) +Cl 3.000e-01 + Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 + HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) +H(0) 1.599e-11 + H2 7.997e-12 8.695e-12 -11.097 -11.061 0.036 28.61 +Hto 2.224e-07 + Hto 2.224e-07 2.224e-07 -6.653 -6.653 0.000 (0) +I 2.537e-07 + I- 2.537e-07 2.537e-07 -6.596 -6.596 -0.000 (0) +K 1.540e-03 + K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 +Mg 1.720e-02 + Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) +Na 2.390e-01 + Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 1.071e-07 + Nat+ 1.071e-07 1.071e-07 -6.970 -6.970 -0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.304 -70.267 0.036 30.40 +S(-2) 2.261e-08 + HS- 1.581e-08 1.041e-08 -7.801 -7.983 -0.182 21.14 + H2S 6.798e-09 7.391e-09 -8.168 -8.131 0.036 36.27 + S-2 6.418e-14 1.547e-14 -13.193 -13.810 -0.618 (0) + (H2S)2 2.648e-18 2.879e-18 -17.577 -17.541 0.036 30.09 +S(6) 1.260e-02 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + HSO4- 1.308e-08 9.561e-09 -7.883 -8.019 -0.136 40.78 + CaHSO4+ 1.066e-09 7.792e-10 -8.972 -9.108 -0.136 (0) +Sr 5.000e-04 + Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.153e-10 8.081e-11 -9.938 -10.093 -0.154 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Anhydrite -0.81 -5.09 -4.28 CaSO4 + Aragonite 0.10 -8.23 -8.34 CaCO3 + Arcanite -7.03 -8.91 -1.88 K2SO4 + Calcite 0.25 -8.23 -8.48 CaCO3 + Celestite -0.15 -6.81 -6.66 SrSO4 + CH4(g) -8.00 -10.80 -2.80 CH4 + CO2(g) -2.09 -3.56 -1.47 CO2 + Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 + Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O + Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O + H2(g) -7.96 -11.06 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + H2S(g) -7.14 -15.07 -7.94 H2S + Halite -3.04 -1.47 1.57 NaCl + Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O + Kieserite -4.08 -5.24 -1.16 MgSO4:H2O + Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O + O2(g) -67.37 -70.27 -2.89 O2 + Strontianite -0.68 -9.95 -9.27 SrCO3 + Sulfur -5.10 -0.22 4.88 S + Sylvite -4.59 -3.69 0.90 KCl + Thenardite -4.16 -4.46 -0.30 Na2SO4 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 6. Solution after simulation 4. +Using surface 6. +Using kinetics 6. + +Kinetics 6. + + Time: 1.26e+07 seconds + Time step: 600000 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + +------------------------------Surface composition------------------------------ + +Diffuse Double Layer Surface-Complexation Model + +Su + -9.233e-11 Surface + diffuse layer charge, eq + -3.770e-01 Surface charge, eq + -3.638e-01 sigma, C/m² + -1.203e-01 psi, V + 4.681e+00 -F*psi/RT + 1.079e+02 exp(-F*psi/RT) + 1.000e+05 specific area, m²/g + 1.000e+05 m² for 1.000e+00 g + + Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. + viscosity: 0.92734 mPa s for DDL water. + + Total moles in diffuse layer (excluding water), Donnan calculation. + Donnan Layer potential, psi_DL = -4.125e-02 V. + Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). + + Element Moles + C 1.6144e-04 + Ca 7.1884e-02 + Cl 4.6632e-10 + H 1.2949e-04 + Hto 8.5481e-09 I 8.5779e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4087e-08 + Nat 1.4086e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -93467,7 +92975,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.244e-08 8.535e-09 + Hto 7.244e-08 8.534e-09 I 7.280e-08 8.577e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -93479,18 +92987,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.147 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.148 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.541e-10 + Electrical balance (eq) = 3.830e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -93502,10 +93010,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.815e-11 - CH4 1.815e-11 1.974e-11 -10.741 -10.705 0.036 35.46 +C(-4) 1.848e-11 + CH4 1.848e-11 2.009e-11 -10.733 -10.697 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -93529,8 +93037,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.694e-11 - H2 8.471e-12 9.210e-12 -11.072 -11.036 0.036 28.61 +H(0) 1.702e-11 + H2 8.508e-12 9.250e-12 -11.070 -11.034 0.036 28.61 Hto 7.244e-08 Hto 7.244e-08 7.244e-08 -7.140 -7.140 0.000 (0) I 7.280e-08 @@ -93550,16 +93058,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.397e-08 Nat+ 2.397e-08 2.397e-08 -7.620 -7.620 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.354 -70.317 0.036 30.40 -S(-2) 2.845e-08 - HS- 1.990e-08 1.310e-08 -7.701 -7.883 -0.182 21.14 - H2S 8.556e-09 9.302e-09 -8.068 -8.031 0.036 36.27 - S-2 8.080e-14 1.948e-14 -13.093 -13.710 -0.618 (0) - (H2S)2 4.194e-18 4.559e-18 -17.377 -17.341 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 +S(-2) 2.896e-08 + HS- 2.025e-08 1.333e-08 -7.694 -7.875 -0.182 21.14 + H2S 8.707e-09 9.467e-09 -8.060 -8.024 0.036 36.27 + S-2 8.223e-14 1.982e-14 -13.085 -13.703 -0.618 (0) + (H2S)2 4.344e-18 4.723e-18 -17.362 -17.326 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -93591,16 +93098,16 @@ Sr 5.000e-04 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.04 -3.10 H2 + H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.04 -14.97 -7.94 H2S + H2S(g) -7.03 -14.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.32 -2.89 O2 + O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.03 -0.15 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -93624,7 +93131,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.218e-11 Surface + diffuse layer charge, eq + -9.240e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -93634,7 +93141,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -93643,14 +93150,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6630e-10 H 1.2949e-04 - Hto 2.0979e-09 - I 1.8310e-21 + Hto 2.0978e-09 + I 1.8308e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2365e-09 + Nat 2.2364e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -93674,28 +93181,28 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.806e-09 4.484e-10 + Nat 3.805e-09 4.483e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.150 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.153 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.494e-10 + Electrical balance (eq) = 2.333e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -93706,18 +93213,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.914e-11 - CH4 1.914e-11 2.081e-11 -10.718 -10.682 0.036 35.46 +C(-4) 1.993e-11 + CH4 1.993e-11 2.167e-11 -10.700 -10.664 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -93725,14 +93232,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.717e-11 - H2 8.584e-12 9.333e-12 -11.066 -11.030 0.036 28.61 +H(0) 1.734e-11 + H2 8.671e-12 9.427e-12 -11.062 -11.026 0.036 28.61 Hto 1.778e-08 Hto 1.778e-08 1.778e-08 -7.750 -7.750 0.000 (0) I 1.554e-08 @@ -93752,16 +93259,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.806e-09 - Nat+ 3.806e-09 3.806e-09 -8.420 -8.420 -0.000 (0) +Nat 3.805e-09 + Nat+ 3.805e-09 3.805e-09 -8.420 -8.420 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.365 -70.329 0.036 30.40 -S(-2) 3.000e-08 - HS- 2.098e-08 1.381e-08 -7.678 -7.860 -0.182 21.14 - H2S 9.022e-09 9.809e-09 -8.045 -8.008 0.036 36.27 - S-2 8.521e-14 2.054e-14 -13.070 -13.687 -0.618 (0) - (H2S)2 4.663e-18 5.070e-18 -17.331 -17.295 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.374 -70.338 0.036 30.40 +S(-2) 3.124e-08 + HS- 2.185e-08 1.438e-08 -7.661 -7.842 -0.182 21.14 + H2S 9.393e-09 1.021e-08 -8.027 -7.991 0.036 36.27 + S-2 8.872e-14 2.139e-14 -13.052 -13.670 -0.618 (0) + (H2S)2 5.055e-18 5.496e-18 -17.296 -17.260 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -93770,7 +93276,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -93788,21 +93294,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.88 -10.68 -2.80 CH4 + CH4(g) -7.86 -10.66 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.95 -7.94 H2S + H2S(g) -7.00 -14.93 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.13 4.88 S + Sulfur -5.00 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -93826,7 +93332,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.202e-11 Surface + diffuse layer charge, eq + -9.230e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -93836,7 +93342,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -93845,14 +93351,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 4.0117e-10 + Hto 4.0115e-10 I 3.0208e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6767e-10 + Nat 2.6764e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -93876,25 +93382,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.555e-10 5.366e-11 + Nat 4.554e-10 5.365e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.499e-10 + Electrical balance (eq) = 3.203e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -93906,20 +93412,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.938e-11 - CH4 1.938e-11 2.107e-11 -10.713 -10.676 0.036 35.46 +C(-4) 2.033e-11 + CH4 2.033e-11 2.210e-11 -10.692 -10.656 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -93933,8 +93439,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.722e-11 - H2 8.611e-12 9.362e-12 -11.065 -11.029 0.036 28.61 +H(0) 1.743e-11 + H2 8.714e-12 9.474e-12 -11.060 -11.023 0.036 28.61 Hto 3.400e-09 Hto 3.400e-09 3.400e-09 -8.469 -8.469 0.000 (0) I 2.564e-09 @@ -93954,16 +93460,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.555e-10 - Nat+ 4.555e-10 4.555e-10 -9.342 -9.342 -0.000 (0) +Nat 4.554e-10 + Nat+ 4.554e-10 4.554e-10 -9.342 -9.342 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.368 -70.331 0.036 30.40 -S(-2) 3.038e-08 - HS- 2.124e-08 1.398e-08 -7.673 -7.854 -0.182 21.14 - H2S 9.134e-09 9.931e-09 -8.039 -8.003 0.036 36.27 - S-2 8.627e-14 2.080e-14 -13.064 -13.682 -0.618 (0) - (H2S)2 4.780e-18 5.197e-18 -17.321 -17.284 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.378 -70.342 0.036 30.40 +S(-2) 3.186e-08 + HS- 2.228e-08 1.467e-08 -7.652 -7.834 -0.182 21.14 + H2S 9.580e-09 1.042e-08 -8.019 -7.982 0.036 36.27 + S-2 9.049e-14 2.181e-14 -13.043 -13.661 -0.618 (0) + (H2S)2 5.258e-18 5.717e-18 -17.279 -17.243 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -93972,7 +93477,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -93990,21 +93495,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.68 -2.80 CH4 + CH4(g) -7.85 -10.66 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -94028,7 +93533,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.196e-11 Surface + diffuse layer charge, eq + -9.224e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -94038,7 +93543,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -94047,14 +93552,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 6.1264e-11 - I 3.9595e-23 + Hto 6.1260e-11 + I 3.9588e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5071e-11 + Nat 2.5068e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -94073,30 +93578,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.192e-10 6.117e-11 + Hto 5.191e-10 6.116e-11 I 3.360e-10 3.959e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.266e-11 5.026e-12 + Nat 4.266e-11 5.025e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.506e-10 + Electrical balance (eq) = 3.578e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -94108,20 +93613,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.938e-11 - CH4 1.938e-11 2.107e-11 -10.713 -10.676 0.036 35.46 +C(-4) 2.036e-11 + CH4 2.036e-11 2.214e-11 -10.691 -10.655 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -94135,10 +93640,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.722e-11 - H2 8.611e-12 9.362e-12 -11.065 -11.029 0.036 28.61 -Hto 5.192e-10 - Hto 5.192e-10 5.192e-10 -9.285 -9.285 0.000 (0) +H(0) 1.744e-11 + H2 8.718e-12 9.478e-12 -11.060 -11.023 0.036 28.61 +Hto 5.191e-10 + Hto 5.191e-10 5.191e-10 -9.285 -9.285 0.000 (0) I 3.360e-10 I- 3.360e-10 3.360e-10 -9.474 -9.474 -0.000 (0) K 1.540e-03 @@ -94156,16 +93661,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 4.266e-11 Nat+ 4.266e-11 4.266e-11 -10.370 -10.370 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.368 -70.331 0.036 30.40 -S(-2) 3.038e-08 - HS- 2.124e-08 1.398e-08 -7.673 -7.854 -0.182 21.14 - H2S 9.134e-09 9.931e-09 -8.039 -8.003 0.036 36.27 - S-2 8.627e-14 2.080e-14 -13.064 -13.682 -0.618 (0) - (H2S)2 4.780e-18 5.197e-18 -17.321 -17.284 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.342 0.036 30.40 +S(-2) 3.191e-08 + HS- 2.232e-08 1.469e-08 -7.651 -7.833 -0.182 21.14 + H2S 9.596e-09 1.043e-08 -8.018 -7.982 0.036 36.27 + S-2 9.064e-14 2.185e-14 -13.043 -13.661 -0.618 (0) + (H2S)2 5.276e-18 5.736e-18 -17.278 -17.241 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -94174,7 +93678,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -94192,21 +93696,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.68 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -94230,7 +93734,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.192e-11 Surface + diffuse layer charge, eq + -9.220e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -94240,7 +93744,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -94249,14 +93753,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 7.6040e-12 - I 4.2021e-24 + Hto 7.6033e-12 + I 4.2029e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8837e-12 + Nat 1.8834e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -94275,33 +93779,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.444e-11 7.592e-12 + Hto 6.443e-11 7.591e-12 I 3.567e-11 4.202e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.205e-12 3.776e-13 + Nat 3.205e-12 3.775e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.150 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.153 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.507e-10 + Electrical balance (eq) = 3.829e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -94312,18 +93816,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.918e-11 - CH4 1.918e-11 2.085e-11 -10.717 -10.681 0.036 35.46 +C(-4) 2.017e-11 + CH4 2.017e-11 2.192e-11 -10.695 -10.659 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -94331,16 +93835,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.718e-11 - H2 8.588e-12 9.337e-12 -11.066 -11.030 0.036 28.61 -Hto 6.444e-11 - Hto 6.444e-11 6.444e-11 -10.191 -10.191 0.000 (0) +H(0) 1.739e-11 + H2 8.696e-12 9.455e-12 -11.061 -11.024 0.036 28.61 +Hto 6.443e-11 + Hto 6.443e-11 6.443e-11 -10.191 -10.191 0.000 (0) I 3.567e-11 I- 3.567e-11 3.567e-11 -10.448 -10.448 -0.000 (0) K 1.540e-03 @@ -94358,16 +93862,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 3.205e-12 Nat+ 3.205e-12 3.205e-12 -11.494 -11.494 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.366 -70.329 0.036 30.40 -S(-2) 3.006e-08 - HS- 2.102e-08 1.384e-08 -7.677 -7.859 -0.182 21.14 - H2S 9.039e-09 9.827e-09 -8.044 -8.008 0.036 36.27 - S-2 8.537e-14 2.058e-14 -13.069 -13.687 -0.618 (0) - (H2S)2 4.681e-18 5.089e-18 -17.330 -17.293 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.376 -70.340 0.036 30.40 +S(-2) 3.160e-08 + HS- 2.210e-08 1.455e-08 -7.656 -7.837 -0.182 21.14 + H2S 9.503e-09 1.033e-08 -8.022 -7.986 0.036 36.27 + S-2 8.976e-14 2.164e-14 -13.047 -13.665 -0.618 (0) + (H2S)2 5.174e-18 5.625e-18 -17.286 -17.250 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -94376,7 +93879,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -94394,21 +93897,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.88 -10.68 -2.80 CH4 + CH4(g) -7.86 -10.66 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.95 -7.94 H2S + H2S(g) -6.99 -14.93 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.13 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -94432,7 +93935,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.178e-11 Surface + diffuse layer charge, eq + -9.206e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -94442,7 +93945,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -94451,14 +93954,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 - Hto 7.7663e-13 - I 3.6613e-25 + Cl 4.6630e-10 + H 1.2949e-04 + Hto 7.7655e-13 + I 3.6618e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1542e-13 + Nat 1.1539e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -94477,30 +93980,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.582e-12 7.754e-13 + Hto 6.581e-12 7.753e-13 I 3.107e-12 3.661e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.964e-13 2.314e-14 + Nat 1.964e-13 2.313e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.149 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.152 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.651e-10 + Electrical balance (eq) = 5.166e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -94514,35 +94017,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.873e-11 - CH4 1.873e-11 2.036e-11 -10.728 -10.691 0.036 35.46 +C(-4) 1.971e-11 + CH4 1.971e-11 2.143e-11 -10.705 -10.669 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.707e-11 - H2 8.537e-12 9.281e-12 -11.069 -11.032 0.036 28.61 -Hto 6.582e-12 - Hto 6.582e-12 6.582e-12 -11.182 -11.182 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.729e-11 + H2 8.647e-12 9.401e-12 -11.063 -11.027 0.036 28.61 +Hto 6.581e-12 + Hto 6.581e-12 6.581e-12 -11.182 -11.182 0.000 (0) I 3.107e-12 I- 3.107e-12 3.107e-12 -11.508 -11.508 -0.000 (0) K 1.540e-03 @@ -94554,22 +94057,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.964e-13 Nat+ 1.964e-13 1.964e-13 -12.707 -12.707 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.360 -70.324 0.036 30.40 -S(-2) 2.935e-08 - HS- 2.052e-08 1.351e-08 -7.688 -7.869 -0.182 21.14 - H2S 8.825e-09 9.595e-09 -8.054 -8.018 0.036 36.27 - S-2 8.335e-14 2.009e-14 -13.079 -13.697 -0.618 (0) - (H2S)2 4.462e-18 4.851e-18 -17.350 -17.314 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.371 -70.335 0.036 30.40 +S(-2) 3.089e-08 + HS- 2.160e-08 1.422e-08 -7.665 -7.847 -0.182 21.14 + H2S 9.289e-09 1.010e-08 -8.032 -7.996 0.036 36.27 + S-2 8.774e-14 2.115e-14 -13.057 -13.675 -0.618 (0) + (H2S)2 4.944e-18 5.375e-18 -17.306 -17.270 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -94579,13 +94081,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -94596,21 +94098,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.89 -10.69 -2.80 CH4 + CH4(g) -7.87 -10.67 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.02 -14.96 -7.94 H2S + H2S(g) -7.00 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.00 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -94634,7 +94136,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.169e-11 Surface + diffuse layer charge, eq + -9.197e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -94644,7 +94146,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -94653,14 +94155,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 - Hto 6.5819e-14 - I 2.6417e-26 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 6.5811e-14 + I 2.6421e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.8304e-15 + Nat 5.8292e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -94679,30 +94181,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.578e-13 6.571e-14 + Hto 5.577e-13 6.570e-14 I 2.242e-13 2.642e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.921e-15 1.169e-15 + Nat 9.919e-15 1.169e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.133e-10 + Electrical balance (eq) = 5.667e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -94716,35 +94218,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.850e-11 - CH4 1.850e-11 2.011e-11 -10.733 -10.697 0.036 35.46 +C(-4) 1.948e-11 + CH4 1.948e-11 2.118e-11 -10.710 -10.674 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.702e-11 - H2 8.510e-12 9.253e-12 -11.070 -11.034 0.036 28.61 -Hto 5.578e-13 - Hto 5.578e-13 5.578e-13 -12.254 -12.254 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.724e-11 + H2 8.622e-12 9.374e-12 -11.064 -11.028 0.036 28.61 +Hto 5.577e-13 + Hto 5.577e-13 5.577e-13 -12.254 -12.254 0.000 (0) I 2.242e-13 I- 2.242e-13 2.242e-13 -12.649 -12.649 -0.000 (0) K 1.540e-03 @@ -94756,22 +94258,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 9.921e-15 - Nat+ 9.921e-15 9.921e-15 -14.003 -14.003 -0.000 (0) +Nat 9.919e-15 + Nat+ 9.919e-15 9.919e-15 -14.004 -14.004 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.358 -70.321 0.036 30.40 -S(-2) 2.899e-08 - HS- 2.027e-08 1.335e-08 -7.693 -7.875 -0.182 21.14 - H2S 8.717e-09 9.478e-09 -8.060 -8.023 0.036 36.27 - S-2 8.233e-14 1.985e-14 -13.084 -13.702 -0.618 (0) - (H2S)2 4.354e-18 4.733e-18 -17.361 -17.325 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.369 -70.333 0.036 30.40 +S(-2) 3.053e-08 + HS- 2.135e-08 1.406e-08 -7.671 -7.852 -0.182 21.14 + H2S 9.181e-09 9.982e-09 -8.037 -8.001 0.036 36.27 + S-2 8.672e-14 2.090e-14 -13.062 -13.680 -0.618 (0) + (H2S)2 4.830e-18 5.251e-18 -17.316 -17.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -94781,13 +94282,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -94798,21 +94299,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.89 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.67 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.96 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.00 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -94836,7 +94337,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.167e-11 Surface + diffuse layer charge, eq + -9.195e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -94846,7 +94347,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -94855,14 +94356,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 - Hto 4.6519e-15 - I 1.5876e-27 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 4.6513e-15 + I 1.5874e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4447e-16 + Nat 2.4441e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -94886,25 +94387,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.160e-16 4.901e-17 + Nat 4.159e-16 4.900e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.571e-10 + Electrical balance (eq) = 1.104e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -94918,33 +94419,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.844e-11 - CH4 1.844e-11 2.005e-11 -10.734 -10.698 0.036 35.46 +C(-4) 1.943e-11 + CH4 1.943e-11 2.112e-11 -10.712 -10.675 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.701e-11 - H2 8.504e-12 9.246e-12 -11.070 -11.034 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.615e-12 9.367e-12 -11.065 -11.028 0.036 28.61 Hto 3.942e-14 Hto 3.942e-14 3.942e-14 -13.404 -13.404 0.000 (0) I 1.347e-14 @@ -94958,22 +94459,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.160e-16 - Nat+ 4.160e-16 4.160e-16 -15.381 -15.381 -0.000 (0) +Nat 4.159e-16 + Nat+ 4.159e-16 4.159e-16 -15.381 -15.381 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.890e-08 - HS- 2.021e-08 1.330e-08 -7.694 -7.876 -0.182 21.14 - H2S 8.690e-09 9.448e-09 -8.061 -8.025 0.036 36.27 - S-2 8.207e-14 1.978e-14 -13.086 -13.704 -0.618 (0) - (H2S)2 4.327e-18 4.704e-18 -17.364 -17.328 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.044e-08 + HS- 2.129e-08 1.402e-08 -7.672 -7.853 -0.182 21.14 + H2S 9.155e-09 9.953e-09 -8.038 -8.002 0.036 36.27 + S-2 8.646e-14 2.084e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.801e-18 5.220e-18 -17.319 -17.282 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -94983,13 +94483,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -95000,21 +94500,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -95038,7 +94538,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.166e-11 Surface + diffuse layer charge, eq + -9.194e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -95048,7 +94548,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -95057,14 +94557,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 - Hto 2.7477e-16 + Cl 4.6631e-10 + H 1.2949e-04 + Hto 2.7473e-16 I 7.9638e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.5356e-18 + Nat 8.5332e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -95083,7 +94583,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.329e-15 2.743e-16 + Hto 2.328e-15 2.743e-16 I 6.759e-16 7.962e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -95095,18 +94595,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.148 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.428e-10 + Electrical balance (eq) = 9.612e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -95120,35 +94620,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.845e-11 - CH4 1.845e-11 2.006e-11 -10.734 -10.698 0.036 35.46 +C(-4) 1.944e-11 + CH4 1.944e-11 2.113e-11 -10.711 -10.675 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.701e-11 - H2 8.505e-12 9.247e-12 -11.070 -11.034 0.036 28.61 -Hto 2.329e-15 - Hto 2.329e-15 2.329e-15 -14.633 -14.633 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.723e-11 + H2 8.617e-12 9.368e-12 -11.065 -11.028 0.036 28.61 +Hto 2.328e-15 + Hto 2.328e-15 2.328e-15 -14.633 -14.633 0.000 (0) I 6.759e-16 I- 6.759e-16 6.759e-16 -15.170 -15.170 -0.000 (0) K 1.540e-03 @@ -95160,22 +94660,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.452e-17 Nat+ 1.452e-17 1.452e-17 -16.838 -16.838 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.357 -70.321 0.036 30.40 -S(-2) 2.892e-08 - HS- 2.022e-08 1.331e-08 -7.694 -7.876 -0.182 21.14 - H2S 8.696e-09 9.454e-09 -8.061 -8.024 0.036 36.27 - S-2 8.212e-14 1.980e-14 -13.086 -13.703 -0.618 (0) - (H2S)2 4.332e-18 4.710e-18 -17.363 -17.327 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 +S(-2) 3.046e-08 + HS- 2.130e-08 1.402e-08 -7.672 -7.853 -0.182 21.14 + H2S 9.160e-09 9.959e-09 -8.038 -8.002 0.036 36.27 + S-2 8.651e-14 2.085e-14 -13.063 -13.681 -0.618 (0) + (H2S)2 4.807e-18 5.226e-18 -17.318 -17.282 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -95185,13 +94684,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -95202,21 +94701,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.70 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.97 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -95240,7 +94739,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.171e-11 Surface + diffuse layer charge, eq + -9.199e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -95250,7 +94749,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -95259,14 +94758,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6632e-10 - H 1.2948e-04 - Hto 1.3555e-17 + Cl 4.6630e-10 + H 1.2949e-04 + Hto 1.3552e-17 I 3.3334e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4820e-19 + Nat 2.4812e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -95285,30 +94784,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.149e-16 1.353e-17 + Hto 1.148e-16 1.353e-17 I 2.829e-17 3.333e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.223e-19 4.976e-20 + Nat 4.222e-19 4.974e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.149 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.152 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.935e-09 + Electrical balance (eq) = 1.588e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -95322,35 +94821,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.862e-11 - CH4 1.862e-11 2.024e-11 -10.730 -10.694 0.036 35.46 +C(-4) 1.961e-11 + CH4 1.961e-11 2.132e-11 -10.708 -10.671 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.705e-11 - H2 8.524e-12 9.268e-12 -11.069 -11.033 0.036 28.61 -Hto 1.149e-16 - Hto 1.149e-16 1.149e-16 -15.940 -15.940 0.000 (0) + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.727e-11 + H2 8.635e-12 9.388e-12 -11.064 -11.027 0.036 28.61 +Hto 1.148e-16 + Hto 1.148e-16 1.148e-16 -15.940 -15.940 0.000 (0) I 2.829e-17 I- 2.829e-17 2.829e-17 -16.548 -16.548 -0.000 (0) K 1.540e-03 @@ -95362,22 +94861,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.223e-19 - Nat+ 4.223e-19 4.223e-19 -18.374 -18.374 -0.000 (0) +Nat 4.222e-19 + Nat+ 4.222e-19 4.222e-19 -18.374 -18.374 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.359 -70.323 0.036 30.40 -S(-2) 2.918e-08 - HS- 2.041e-08 1.343e-08 -7.690 -7.872 -0.182 21.14 - H2S 8.775e-09 9.540e-09 -8.057 -8.020 0.036 36.27 - S-2 8.287e-14 1.998e-14 -13.082 -13.699 -0.618 (0) - (H2S)2 4.411e-18 4.796e-18 -17.355 -17.319 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.370 -70.334 0.036 30.40 +S(-2) 3.073e-08 + HS- 2.149e-08 1.414e-08 -7.668 -7.849 -0.182 21.14 + H2S 9.239e-09 1.004e-08 -8.034 -7.998 0.036 36.27 + S-2 8.726e-14 2.103e-14 -13.059 -13.677 -0.618 (0) + (H2S)2 4.890e-18 5.317e-18 -17.311 -17.274 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -95387,13 +94885,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -95404,21 +94902,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.89 -10.69 -2.80 CH4 + CH4(g) -7.87 -10.67 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.03 -14.96 -7.94 H2S + H2S(g) -7.00 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.43 -70.32 -2.89 O2 + O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.14 4.88 S + Sulfur -5.00 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -95442,7 +94940,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.185e-11 Surface + diffuse layer charge, eq + -9.213e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -95452,7 +94950,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -95461,14 +94959,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 5.5644e-19 + Hto 5.5634e-19 I 1.1604e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.9927e-21 + Nat 5.9908e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -95487,30 +94985,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.716e-18 5.555e-19 + Hto 4.715e-18 5.554e-19 I 9.848e-19 1.160e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.020e-20 1.201e-21 + Nat 1.019e-20 1.201e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.153 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.513e-10 + Electrical balance (eq) = 4.339e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -95524,18 +95022,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.922e-11 - CH4 1.922e-11 2.090e-11 -10.716 -10.680 0.036 35.46 +C(-4) 2.021e-11 + CH4 2.021e-11 2.197e-11 -10.694 -10.658 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -95543,16 +95041,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.719e-11 - H2 8.593e-12 9.342e-12 -11.066 -11.030 0.036 28.61 -Hto 4.716e-18 - Hto 4.716e-18 4.716e-18 -17.326 -17.326 0.000 (0) +H(0) 1.740e-11 + H2 8.701e-12 9.460e-12 -11.060 -11.024 0.036 28.61 +Hto 4.715e-18 + Hto 4.715e-18 4.715e-18 -17.327 -17.327 0.000 (0) I 9.848e-19 I- 9.848e-19 9.848e-19 -18.007 -18.007 -0.000 (0) K 1.540e-03 @@ -95570,16 +95068,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.020e-20 - Nat+ 1.020e-20 1.020e-20 -19.992 -19.992 -0.000 (0) +Nat 1.019e-20 + Nat+ 1.019e-20 1.019e-20 -19.992 -19.992 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.366 -70.330 0.036 30.40 -S(-2) 3.013e-08 - HS- 2.107e-08 1.387e-08 -7.676 -7.858 -0.182 21.14 - H2S 9.059e-09 9.849e-09 -8.043 -8.007 0.036 36.27 - S-2 8.556e-14 2.062e-14 -13.068 -13.686 -0.618 (0) - (H2S)2 4.702e-18 5.112e-18 -17.328 -17.291 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.377 -70.341 0.036 30.40 +S(-2) 3.167e-08 + HS- 2.215e-08 1.458e-08 -7.655 -7.836 -0.182 21.14 + H2S 9.523e-09 1.035e-08 -8.021 -7.985 0.036 36.27 + S-2 8.995e-14 2.168e-14 -13.046 -13.664 -0.618 (0) + (H2S)2 5.196e-18 5.649e-18 -17.284 -17.248 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -95588,7 +95085,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -95606,21 +95103,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.88 -10.68 -2.80 CH4 + CH4(g) -7.86 -10.66 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.95 -7.94 H2S + H2S(g) -6.99 -14.93 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.13 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -95644,7 +95141,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.194e-11 Surface + diffuse layer charge, eq + -9.222e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -95654,7 +95151,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -95663,14 +95160,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 1.8880e-20 - I 3.3365e-33 + Hto 1.8876e-20 + I 3.3358e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1933e-22 + Nat 1.1929e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -95694,25 +95191,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.031e-22 2.392e-23 + Nat 2.030e-22 2.391e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.508e-10 + Electrical balance (eq) = 3.699e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -95724,20 +95221,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.942e-11 - CH4 1.942e-11 2.111e-11 -10.712 -10.675 0.036 35.46 +C(-4) 2.040e-11 + CH4 2.040e-11 2.218e-11 -10.690 -10.654 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -95751,8 +95248,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.723e-11 - H2 8.614e-12 9.366e-12 -11.065 -11.028 0.036 28.61 +H(0) 1.744e-11 + H2 8.722e-12 9.483e-12 -11.059 -11.023 0.036 28.61 Hto 1.600e-19 Hto 1.600e-19 1.600e-19 -18.796 -18.796 0.000 (0) I 2.832e-20 @@ -95772,16 +95269,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.031e-22 - Nat+ 2.031e-22 2.031e-22 -21.692 -21.692 -0.000 (0) +Nat 2.030e-22 + Nat+ 2.030e-22 2.030e-22 -21.693 -21.693 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 -S(-2) 3.043e-08 - HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 - H2S 9.151e-09 9.949e-09 -8.039 -8.002 0.036 36.27 - S-2 8.643e-14 2.083e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.798e-18 5.216e-18 -17.319 -17.283 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.198e-08 + HS- 2.236e-08 1.472e-08 -7.650 -7.832 -0.182 21.14 + H2S 9.615e-09 1.045e-08 -8.017 -7.981 0.036 36.27 + S-2 9.082e-14 2.189e-14 -13.042 -13.660 -0.618 (0) + (H2S)2 5.297e-18 5.759e-18 -17.276 -17.240 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -95790,7 +95286,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -95808,21 +95304,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.68 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -95846,7 +95342,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.195e-11 Surface + diffuse layer charge, eq + -9.223e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -95856,7 +95352,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -95865,14 +95361,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 5.2373e-22 + Hto 5.2361e-22 I 7.8358e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8880e-24 + Nat 1.8873e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -95891,30 +95387,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.438e-21 5.229e-22 + Hto 4.437e-21 5.228e-22 I 6.651e-22 7.835e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.213e-24 3.785e-25 + Nat 3.211e-24 3.783e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.506e-10 + Electrical balance (eq) = 3.657e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -95926,20 +95422,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.945e-11 - CH4 1.945e-11 2.114e-11 -10.711 -10.675 0.036 35.46 +C(-4) 2.043e-11 + CH4 2.043e-11 2.222e-11 -10.690 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -95953,10 +95449,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.618e-12 9.369e-12 -11.065 -11.028 0.036 28.61 -Hto 4.438e-21 - Hto 4.438e-21 4.438e-21 -20.353 -20.353 0.000 (0) +H(0) 1.745e-11 + H2 8.725e-12 9.486e-12 -11.059 -11.023 0.036 28.61 +Hto 4.437e-21 + Hto 4.437e-21 4.437e-21 -20.353 -20.353 0.000 (0) I 6.651e-22 I- 6.651e-22 6.651e-22 -21.177 -21.177 -0.000 (0) K 1.540e-03 @@ -95974,16 +95470,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.213e-24 - Nat+ 3.213e-24 3.213e-24 -23.493 -23.493 -0.000 (0) +Nat 3.211e-24 + Nat+ 3.211e-24 3.211e-24 -23.493 -23.493 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.332 0.036 30.40 -S(-2) 3.048e-08 - HS- 2.131e-08 1.403e-08 -7.671 -7.853 -0.182 21.14 - H2S 9.164e-09 9.964e-09 -8.038 -8.002 0.036 36.27 - S-2 8.655e-14 2.086e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.812e-18 5.231e-18 -17.318 -17.281 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.202e-08 + HS- 2.239e-08 1.474e-08 -7.650 -7.831 -0.182 21.14 + H2S 9.628e-09 1.047e-08 -8.016 -7.980 0.036 36.27 + S-2 9.095e-14 2.192e-14 -13.041 -13.659 -0.618 (0) + (H2S)2 5.311e-18 5.775e-18 -17.275 -17.238 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -95992,7 +95487,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -96010,21 +95505,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -96048,7 +95543,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.194e-11 Surface + diffuse layer charge, eq + -9.223e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -96058,7 +95553,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -96067,10 +95562,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 1.1670e-23 - I 1.4073e-36 + Hto 1.1668e-23 + I 1.4071e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -96092,7 +95587,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.890e-23 1.165e-23 + Hto 9.888e-23 1.165e-23 I 1.194e-23 1.407e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -96103,18 +95598,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.505e-10 + Electrical balance (eq) = 3.663e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -96126,20 +95621,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.945e-11 - CH4 1.945e-11 2.115e-11 -10.711 -10.675 0.036 35.46 +C(-4) 2.043e-11 + CH4 2.043e-11 2.222e-11 -10.690 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -96153,10 +95648,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.618e-12 9.370e-12 -11.065 -11.028 0.036 28.61 -Hto 9.890e-23 - Hto 9.890e-23 9.890e-23 -22.005 -22.005 0.000 (0) +H(0) 1.745e-11 + H2 8.725e-12 9.486e-12 -11.059 -11.023 0.036 28.61 +Hto 9.888e-23 + Hto 9.888e-23 9.888e-23 -22.005 -22.005 0.000 (0) I 1.194e-23 I- 1.194e-23 1.194e-23 -22.923 -22.923 -0.000 (0) K 1.540e-03 @@ -96174,14 +95669,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.332 0.036 30.40 -S(-2) 3.048e-08 - HS- 2.132e-08 1.403e-08 -7.671 -7.853 -0.182 21.14 - H2S 9.165e-09 9.965e-09 -8.038 -8.002 0.036 36.27 - S-2 8.656e-14 2.087e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.813e-18 5.233e-18 -17.318 -17.281 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.203e-08 + HS- 2.240e-08 1.474e-08 -7.650 -7.831 -0.182 21.14 + H2S 9.629e-09 1.047e-08 -8.016 -7.980 0.036 36.27 + S-2 9.096e-14 2.192e-14 -13.041 -13.659 -0.618 (0) + (H2S)2 5.312e-18 5.776e-18 -17.275 -17.238 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -96190,7 +95684,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -96208,21 +95702,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -96246,7 +95740,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.195e-11 Surface + diffuse layer charge, eq + -9.223e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -96256,7 +95750,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -96265,9 +95759,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 1.6498e-25 + Hto 1.6493e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -96299,18 +95793,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.508e-10 + Electrical balance (eq) = 3.660e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -96322,20 +95816,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.945e-11 - CH4 1.945e-11 2.115e-11 -10.711 -10.675 0.036 35.46 +C(-4) 2.044e-11 + CH4 2.044e-11 2.222e-11 -10.690 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -96349,10 +95843,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.618e-12 9.370e-12 -11.065 -11.028 0.036 28.61 +H(0) 1.745e-11 + H2 8.725e-12 9.486e-12 -11.059 -11.023 0.036 28.61 Hto 1.398e-24 - Hto 1.398e-24 1.398e-24 -23.854 -23.854 0.000 (0) + Hto 1.398e-24 1.398e-24 -23.855 -23.855 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -96368,14 +95862,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.332 0.036 30.40 -S(-2) 3.048e-08 - HS- 2.131e-08 1.403e-08 -7.671 -7.853 -0.182 21.14 - H2S 9.165e-09 9.965e-09 -8.038 -8.002 0.036 36.27 - S-2 8.656e-14 2.087e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.813e-18 5.232e-18 -17.318 -17.281 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.203e-08 + HS- 2.240e-08 1.474e-08 -7.650 -7.831 -0.182 21.14 + H2S 9.630e-09 1.047e-08 -8.016 -7.980 0.036 36.27 + S-2 9.096e-14 2.193e-14 -13.041 -13.659 -0.618 (0) + (H2S)2 5.313e-18 5.776e-18 -17.275 -17.238 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -96384,7 +95877,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -96402,21 +95895,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -96440,7 +95933,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.195e-11 Surface + diffuse layer charge, eq + -9.223e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -96450,7 +95943,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -96459,7 +95952,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -96491,18 +95984,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.507e-10 + Electrical balance (eq) = 3.664e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -96514,20 +96007,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.945e-11 - CH4 1.945e-11 2.115e-11 -10.711 -10.675 0.036 35.46 +C(-4) 2.044e-11 + CH4 2.044e-11 2.222e-11 -10.690 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -96541,8 +96034,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.618e-12 9.370e-12 -11.065 -11.028 0.036 28.61 +H(0) 1.745e-11 + H2 8.725e-12 9.486e-12 -11.059 -11.023 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -96558,14 +96051,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.332 0.036 30.40 -S(-2) 3.048e-08 - HS- 2.131e-08 1.403e-08 -7.671 -7.853 -0.182 21.14 - H2S 9.165e-09 9.965e-09 -8.038 -8.002 0.036 36.27 - S-2 8.656e-14 2.087e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.813e-18 5.232e-18 -17.318 -17.281 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.203e-08 + HS- 2.240e-08 1.474e-08 -7.650 -7.831 -0.182 21.14 + H2S 9.630e-09 1.047e-08 -8.016 -7.980 0.036 36.27 + S-2 9.096e-14 2.193e-14 -13.041 -13.659 -0.618 (0) + (H2S)2 5.313e-18 5.776e-18 -17.275 -17.238 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -96574,7 +96066,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -96592,21 +96084,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -96630,7 +96122,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.195e-11 Surface + diffuse layer charge, eq + -9.223e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -96640,7 +96132,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -96649,7 +96141,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -96681,18 +96173,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.507e-10 + Electrical balance (eq) = 3.655e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -96704,20 +96196,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.945e-11 - CH4 1.945e-11 2.115e-11 -10.711 -10.675 0.036 35.46 +C(-4) 2.044e-11 + CH4 2.044e-11 2.222e-11 -10.690 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -96731,8 +96223,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.618e-12 9.370e-12 -11.065 -11.028 0.036 28.61 +H(0) 1.745e-11 + H2 8.725e-12 9.486e-12 -11.059 -11.023 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -96748,14 +96240,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.332 0.036 30.40 -S(-2) 3.048e-08 - HS- 2.132e-08 1.403e-08 -7.671 -7.853 -0.182 21.14 - H2S 9.165e-09 9.965e-09 -8.038 -8.002 0.036 36.27 - S-2 8.657e-14 2.087e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.813e-18 5.233e-18 -17.318 -17.281 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.203e-08 + HS- 2.240e-08 1.474e-08 -7.650 -7.831 -0.182 21.14 + H2S 9.630e-09 1.047e-08 -8.016 -7.980 0.036 36.27 + S-2 9.096e-14 2.193e-14 -13.041 -13.659 -0.618 (0) + (H2S)2 5.313e-18 5.776e-18 -17.275 -17.238 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -96764,7 +96255,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -96782,21 +96273,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -96820,7 +96311,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.195e-11 Surface + diffuse layer charge, eq + -9.223e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -96830,7 +96321,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -96839,7 +96330,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -96871,18 +96362,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.504e-10 + Electrical balance (eq) = 3.655e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -96894,20 +96385,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.945e-11 - CH4 1.945e-11 2.115e-11 -10.711 -10.675 0.036 35.46 +C(-4) 2.044e-11 + CH4 2.044e-11 2.222e-11 -10.690 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -96921,8 +96412,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.618e-12 9.370e-12 -11.065 -11.028 0.036 28.61 +H(0) 1.745e-11 + H2 8.725e-12 9.486e-12 -11.059 -11.023 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -96938,14 +96429,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.332 0.036 30.40 -S(-2) 3.048e-08 - HS- 2.132e-08 1.403e-08 -7.671 -7.853 -0.182 21.14 - H2S 9.166e-09 9.965e-09 -8.038 -8.002 0.036 36.27 - S-2 8.657e-14 2.087e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.813e-18 5.233e-18 -17.318 -17.281 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.203e-08 + HS- 2.240e-08 1.474e-08 -7.650 -7.831 -0.182 21.14 + H2S 9.630e-09 1.047e-08 -8.016 -7.980 0.036 36.27 + S-2 9.096e-14 2.193e-14 -13.041 -13.659 -0.618 (0) + (H2S)2 5.313e-18 5.776e-18 -17.275 -17.238 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -96954,7 +96444,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -96972,21 +96462,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -97016,18 +96506,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -97041,8 +96531,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -97066,8 +96556,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -97087,16 +96577,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -97123,21 +96612,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -97165,18 +96654,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -97190,8 +96679,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -97215,8 +96704,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -97236,16 +96725,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -97272,21 +96760,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -97316,25 +96804,25 @@ Kinetics 3. K 1.540e-03 7.700e-04 Mg 1.720e-02 8.600e-03 Na 2.390e-01 1.195e-01 - Nat 3.711e-07 1.855e-07 + Nat 3.711e-07 1.856e-07 S 1.260e-02 6.300e-03 Sr 5.000e-04 2.500e-04 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.963 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.956 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.918e-12 + Electrical balance (eq) = -8.568e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -97348,8 +96836,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.092e-13 - CH4 6.092e-13 6.624e-13 -12.215 -12.179 0.036 35.46 +C(-4) 5.406e-13 + CH4 5.406e-13 5.878e-13 -12.267 -12.231 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -97358,7 +96846,7 @@ C(4) 2.744e-03 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 @@ -97373,8 +96861,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 7.250e-12 - H2 3.625e-12 3.941e-12 -11.441 -11.404 0.036 28.61 +H(0) 7.036e-12 + H2 3.518e-12 3.825e-12 -11.454 -11.417 0.036 28.61 Hto 6.124e-07 Hto 6.124e-07 6.124e-07 -6.213 -6.213 0.000 (0) I 7.675e-07 @@ -97388,22 +96876,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.711e-07 Nat+ 3.711e-07 3.711e-07 -6.431 -6.431 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.616 -69.580 0.036 30.40 -S(-2) 9.551e-10 - HS- 6.678e-10 4.396e-10 -9.175 -9.357 -0.182 21.14 - H2S 2.873e-10 3.124e-10 -9.542 -9.505 0.036 36.27 - S-2 2.710e-15 6.532e-16 -14.567 -15.185 -0.618 (0) - (H2S)2 4.730e-21 5.143e-21 -20.325 -20.289 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.590 -69.554 0.036 30.40 +S(-2) 8.475e-10 + HS- 5.925e-10 3.901e-10 -9.227 -9.409 -0.182 21.14 + H2S 2.550e-10 2.772e-10 -9.594 -9.557 0.036 36.27 + S-2 2.405e-15 5.796e-16 -14.619 -15.237 -0.618 (0) + (H2S)2 3.724e-21 4.049e-21 -20.429 -20.393 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -97430,21 +96917,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.38 -12.18 -2.80 CH4 + CH4(g) -9.43 -12.23 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.30 -11.40 -3.10 H2 + H2(g) -8.32 -11.42 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.51 -16.45 -7.94 H2S + H2S(g) -8.56 -16.50 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.69 -69.58 -2.89 O2 + O2(g) -66.66 -69.55 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.13 -1.25 4.88 S + Sulfur -6.17 -1.29 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -97468,7 +96955,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.013e-14 Surface + diffuse layer charge, eq + -3.997e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -97478,7 +96965,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -97487,14 +96974,14 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6660e-10 + Cl 4.6661e-10 H 1.2947e-04 Hto 5.7922e-08 I 7.3599e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7857e-07 + Nat 1.7858e-07 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -97525,18 +97012,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.055 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.052 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.959e-09 + Electrical balance (eq) = 1.700e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -97550,8 +97037,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.329e-12 - CH4 3.329e-12 3.619e-12 -11.478 -11.441 0.036 35.46 +C(-4) 3.131e-12 + CH4 3.131e-12 3.404e-12 -11.504 -11.468 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -97561,7 +97048,7 @@ C(4) 2.744e-03 CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -97574,9 +97061,9 @@ Ca 2.590e-02 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.108e-11 - H2 5.542e-12 6.026e-12 -11.256 -11.220 0.036 28.61 + HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) +H(0) 1.092e-11 + H2 5.458e-12 5.934e-12 -11.263 -11.227 0.036 28.61 Hto 4.909e-07 Hto 4.909e-07 4.909e-07 -6.309 -6.309 0.000 (0) I 6.247e-07 @@ -97596,16 +97083,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.039e-07 Nat+ 3.039e-07 3.039e-07 -6.517 -6.517 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.985 -69.949 0.036 30.40 -S(-2) 5.218e-09 - HS- 3.648e-09 2.402e-09 -8.438 -8.619 -0.182 21.14 - H2S 1.570e-09 1.707e-09 -8.804 -8.768 0.036 36.27 - S-2 1.481e-14 3.569e-15 -13.830 -14.447 -0.618 (0) - (H2S)2 1.412e-19 1.535e-19 -18.850 -18.814 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.972 -69.935 0.036 30.40 +S(-2) 4.908e-09 + HS- 3.432e-09 2.259e-09 -8.465 -8.646 -0.182 21.14 + H2S 1.476e-09 1.605e-09 -8.831 -8.794 0.036 36.27 + S-2 1.393e-14 3.357e-15 -13.856 -14.474 -0.618 (0) + (H2S)2 1.249e-19 1.358e-19 -18.903 -18.867 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -97621,7 +97107,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -97632,21 +97118,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.64 -11.44 -2.80 CH4 + CH4(g) -8.67 -11.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.12 -11.22 -3.10 H2 + H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.77 -15.71 -7.94 H2S + H2S(g) -7.80 -15.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.06 -69.95 -2.89 O2 + O2(g) -67.04 -69.94 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.58 -0.70 4.88 S + Sulfur -5.60 -0.72 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -97670,7 +97156,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.160e-11 Surface + diffuse layer charge, eq + -9.149e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -97680,7 +97166,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -97696,7 +97182,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.5162e-08 + Nat 6.5161e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -97722,26 +97208,26 @@ Su Na 2.390e-01 2.816e-02 Nat 1.109e-07 1.306e-08 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.139 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.144e-09 + Electrical balance (eq) = 4.530e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307863e+01 + Total H = 1.307864e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -97752,8 +97238,8 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.542e-11 - CH4 1.542e-11 1.677e-11 -10.812 -10.776 0.036 35.46 +C(-4) 1.515e-11 + CH4 1.515e-11 1.648e-11 -10.819 -10.783 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -97762,8 +97248,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.380e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -97777,8 +97263,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.626e-11 - H2 8.132e-12 8.841e-12 -11.090 -11.053 0.036 28.61 +H(0) 1.619e-11 + H2 8.096e-12 8.803e-12 -11.092 -11.055 0.036 28.61 Hto 2.287e-07 Hto 2.287e-07 2.287e-07 -6.641 -6.641 0.000 (0) I 2.623e-07 @@ -97792,22 +97278,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.629e-06 3.945e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.109e-07 Nat+ 1.109e-07 1.109e-07 -6.955 -6.955 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.318 -70.282 0.036 30.40 -S(-2) 2.417e-08 - HS- 1.690e-08 1.113e-08 -7.772 -7.954 -0.182 21.14 - H2S 7.269e-09 7.903e-09 -8.139 -8.102 0.036 36.27 - S-2 6.863e-14 1.654e-14 -13.163 -13.781 -0.618 (0) - (H2S)2 3.027e-18 3.291e-18 -17.519 -17.483 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.314 -70.278 0.036 30.40 +S(-2) 2.375e-08 + HS- 1.661e-08 1.093e-08 -7.780 -7.961 -0.182 21.14 + H2S 7.143e-09 7.766e-09 -8.146 -8.110 0.036 36.27 + S-2 6.744e-14 1.626e-14 -13.171 -13.789 -0.618 (0) + (H2S)2 2.923e-18 3.178e-18 -17.534 -17.498 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -97834,21 +97319,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.97 -10.78 -2.80 CH4 + CH4(g) -7.98 -10.78 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.95 -11.05 -3.10 H2 + H2(g) -7.95 -11.06 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.11 -15.04 -7.94 H2S + H2S(g) -7.12 -15.05 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.39 -70.28 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.08 -0.20 4.88 S + Sulfur -5.09 -0.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -97872,7 +97357,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.259e-11 Surface + diffuse layer charge, eq + -9.262e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -97882,7 +97367,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -97891,14 +97376,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6630e-10 H 1.2949e-04 - Hto 9.1475e-09 - I 9.2446e-21 + Hto 9.1473e-09 + I 9.2462e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5288e-08 + Nat 1.5287e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -97929,19 +97414,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.150 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.151 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.618e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.850e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -97954,15 +97439,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.907e-11 - CH4 1.907e-11 2.073e-11 -10.720 -10.683 0.036 35.46 +C(-4) 1.938e-11 + CH4 1.938e-11 2.107e-11 -10.713 -10.676 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 @@ -97973,14 +97458,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.715e-11 - H2 8.575e-12 9.323e-12 -11.067 -11.030 0.036 28.61 +H(0) 1.722e-11 + H2 8.610e-12 9.362e-12 -11.065 -11.029 0.036 28.61 Hto 7.752e-08 Hto 7.752e-08 7.752e-08 -7.111 -7.111 0.000 (0) I 7.846e-08 @@ -98000,18 +97485,17 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.601e-08 Nat+ 2.601e-08 2.601e-08 -7.585 -7.585 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.364 -70.328 0.036 30.40 -S(-2) 2.988e-08 - HS- 2.090e-08 1.376e-08 -7.680 -7.862 -0.182 21.14 - H2S 8.985e-09 9.769e-09 -8.046 -8.010 0.036 36.27 - S-2 8.486e-14 2.046e-14 -13.071 -13.689 -0.618 (0) - (H2S)2 4.625e-18 5.029e-18 -17.335 -17.299 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.368 -70.331 0.036 30.40 +S(-2) 3.037e-08 + HS- 2.124e-08 1.398e-08 -7.673 -7.854 -0.182 21.14 + H2S 9.134e-09 9.930e-09 -8.039 -8.003 0.036 36.27 + S-2 8.626e-14 2.079e-14 -13.064 -13.682 -0.618 (0) + (H2S)2 4.779e-18 5.196e-18 -17.321 -17.284 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -98036,21 +97520,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.88 -10.68 -2.80 CH4 + CH4(g) -7.87 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.02 -14.95 -7.94 H2S + H2S(g) -7.01 -14.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.13 4.88 S + Sulfur -5.01 -0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -98074,7 +97558,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.248e-11 Surface + diffuse layer charge, eq + -9.270e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -98084,7 +97568,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -98093,14 +97577,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6628e-10 H 1.2949e-04 - Hto 2.3513e-09 - I 2.0700e-21 + Hto 2.3512e-09 + I 2.0696e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5571e-09 + Nat 2.5570e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -98131,21 +97615,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.155 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.572e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -9.007e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -98154,13 +97638,13 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.013e-11 - CH4 2.013e-11 2.189e-11 -10.696 -10.660 0.036 35.46 +C(-4) 2.091e-11 + CH4 2.091e-11 2.273e-11 -10.680 -10.643 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -98169,7 +97653,7 @@ C(4) 2.744e-03 MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -98180,9 +97664,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.739e-11 - H2 8.693e-12 9.451e-12 -11.061 -11.025 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.755e-11 + H2 8.775e-12 9.541e-12 -11.057 -11.020 0.036 28.61 Hto 1.993e-08 Hto 1.993e-08 1.993e-08 -7.701 -7.701 0.000 (0) I 1.757e-08 @@ -98197,21 +97681,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 4.351e-09 Nat+ 4.351e-09 4.351e-09 -8.361 -8.361 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.376 -70.340 0.036 30.40 -S(-2) 3.155e-08 - HS- 2.206e-08 1.452e-08 -7.656 -7.838 -0.182 21.14 - H2S 9.486e-09 1.031e-08 -8.023 -7.987 0.036 36.27 - S-2 8.960e-14 2.160e-14 -13.048 -13.666 -0.618 (0) - (H2S)2 5.156e-18 5.606e-18 -17.288 -17.251 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.384 -70.348 0.036 30.40 +S(-2) 3.276e-08 + HS- 2.291e-08 1.508e-08 -7.640 -7.821 -0.182 21.14 + H2S 9.852e-09 1.071e-08 -8.006 -7.970 0.036 36.27 + S-2 9.306e-14 2.243e-14 -13.031 -13.649 -0.618 (0) + (H2S)2 5.560e-18 6.045e-18 -17.255 -17.219 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -98226,7 +97709,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -98238,21 +97721,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.86 -10.66 -2.80 CH4 + CH4(g) -7.84 -10.64 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.99 -14.93 -7.94 H2S + H2S(g) -6.98 -14.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.98 -0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -98276,7 +97759,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.232e-11 Surface + diffuse layer charge, eq + -9.260e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -98286,7 +97769,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -98295,14 +97778,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 4.7350e-10 + Hto 4.7347e-10 I 3.6008e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2368e-10 + Nat 3.2364e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -98321,33 +97804,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.013e-09 4.727e-10 + Hto 4.012e-09 4.727e-10 I 3.056e-09 3.600e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.508e-10 6.489e-11 + Nat 5.507e-10 6.488e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.156 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.579e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.911e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -98358,35 +97841,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.039e-11 - CH4 2.039e-11 2.217e-11 -10.691 -10.654 0.036 35.46 +C(-4) 2.134e-11 + CH4 2.134e-11 2.320e-11 -10.671 -10.635 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.744e-11 - H2 8.721e-12 9.481e-12 -11.059 -11.023 0.036 28.61 -Hto 4.013e-09 - Hto 4.013e-09 4.013e-09 -8.397 -8.397 0.000 (0) + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.764e-11 + H2 8.820e-12 9.589e-12 -11.055 -11.018 0.036 28.61 +Hto 4.012e-09 + Hto 4.012e-09 4.012e-09 -8.397 -8.397 0.000 (0) I 3.056e-09 I- 3.056e-09 3.056e-09 -8.515 -8.515 -0.000 (0) K 1.540e-03 @@ -98398,22 +97881,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.508e-10 - Nat+ 5.508e-10 5.508e-10 -9.259 -9.259 -0.000 (0) +Nat 5.507e-10 + Nat+ 5.507e-10 5.507e-10 -9.259 -9.259 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 -S(-2) 3.196e-08 - HS- 2.235e-08 1.471e-08 -7.651 -7.832 -0.182 21.14 - H2S 9.610e-09 1.045e-08 -8.017 -7.981 0.036 36.27 - S-2 9.077e-14 2.188e-14 -13.042 -13.660 -0.618 (0) - (H2S)2 5.291e-18 5.752e-18 -17.276 -17.240 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.389 -70.352 0.036 30.40 +S(-2) 3.344e-08 + HS- 2.338e-08 1.539e-08 -7.631 -7.813 -0.182 21.14 + H2S 1.005e-08 1.093e-08 -7.998 -7.961 0.036 36.27 + S-2 9.497e-14 2.289e-14 -13.022 -13.640 -0.618 (0) + (H2S)2 5.790e-18 6.295e-18 -17.237 -17.201 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -98428,7 +97910,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -98440,21 +97922,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.99 -14.92 -7.94 H2S + H2S(g) -6.97 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.98 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -98478,7 +97960,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.225e-11 Surface + diffuse layer charge, eq + -9.254e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -98488,7 +97970,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -98497,14 +97979,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 7.6523e-11 - I 4.9993e-23 + Hto 7.6518e-11 + I 4.9999e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2190e-11 + Nat 3.2186e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -98523,33 +98005,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.485e-10 7.640e-11 + Hto 6.485e-10 7.639e-11 I 4.243e-10 4.999e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.477e-11 6.453e-12 + Nat 5.477e-11 6.452e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.156 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.587e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.867e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -98560,33 +98042,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.039e-11 - CH4 2.039e-11 2.217e-11 -10.690 -10.654 0.036 35.46 +C(-4) 2.137e-11 + CH4 2.137e-11 2.324e-11 -10.670 -10.634 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.744e-11 - H2 8.721e-12 9.482e-12 -11.059 -11.023 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.765e-11 + H2 8.824e-12 9.594e-12 -11.054 -11.018 0.036 28.61 Hto 6.485e-10 Hto 6.485e-10 6.485e-10 -9.188 -9.188 0.000 (0) I 4.243e-10 @@ -98600,22 +98082,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 5.477e-11 Nat+ 5.477e-11 5.477e-11 -10.261 -10.261 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 -S(-2) 3.196e-08 - HS- 2.235e-08 1.471e-08 -7.651 -7.832 -0.182 21.14 - H2S 9.611e-09 1.045e-08 -8.017 -7.981 0.036 36.27 - S-2 9.078e-14 2.188e-14 -13.042 -13.660 -0.618 (0) - (H2S)2 5.292e-18 5.753e-18 -17.276 -17.240 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.389 -70.353 0.036 30.40 +S(-2) 3.350e-08 + HS- 2.343e-08 1.542e-08 -7.630 -7.812 -0.182 21.14 + H2S 1.007e-08 1.095e-08 -7.997 -7.961 0.036 36.27 + S-2 9.514e-14 2.293e-14 -13.022 -13.640 -0.618 (0) + (H2S)2 5.812e-18 6.319e-18 -17.236 -17.199 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -98630,7 +98111,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -98642,21 +98123,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.99 -14.92 -7.94 H2S + H2S(g) -6.97 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -98680,7 +98161,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.220e-11 Surface + diffuse layer charge, eq + -9.248e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -98690,7 +98171,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -98699,14 +98180,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 1.0101e-11 + Hto 1.0100e-11 I 5.6465e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5786e-12 + Nat 2.5782e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -98725,31 +98206,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.560e-11 1.008e-11 + Hto 8.559e-11 1.008e-11 I 4.793e-11 5.647e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.388e-12 5.169e-13 + Nat 4.387e-12 5.168e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.156 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.588e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.837e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -98760,37 +98241,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.019e-11 - CH4 2.019e-11 2.195e-11 -10.695 -10.659 0.036 35.46 +C(-4) 2.117e-11 + CH4 2.117e-11 2.302e-11 -10.674 -10.638 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.740e-11 - H2 8.699e-12 9.458e-12 -11.061 -11.024 0.036 28.61 -Hto 8.560e-11 - Hto 8.560e-11 8.560e-11 -10.068 -10.068 0.000 (0) + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.761e-11 + H2 8.803e-12 9.571e-12 -11.055 -11.019 0.036 28.61 +Hto 8.559e-11 + Hto 8.559e-11 8.559e-11 -10.068 -10.068 0.000 (0) I 4.793e-11 I- 4.793e-11 4.793e-11 -10.319 -10.319 -0.000 (0) K 1.540e-03 @@ -98802,22 +98283,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.388e-12 - Nat+ 4.388e-12 4.388e-12 -11.358 -11.358 -0.000 (0) +Nat 4.387e-12 + Nat+ 4.387e-12 4.387e-12 -11.358 -11.358 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.377 -70.340 0.036 30.40 -S(-2) 3.164e-08 - HS- 2.213e-08 1.457e-08 -7.655 -7.837 -0.182 21.14 - H2S 9.514e-09 1.034e-08 -8.022 -7.985 0.036 36.27 - S-2 8.986e-14 2.166e-14 -13.046 -13.664 -0.618 (0) - (H2S)2 5.186e-18 5.638e-18 -17.285 -17.249 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.387 -70.351 0.036 30.40 +S(-2) 3.318e-08 + HS- 2.321e-08 1.528e-08 -7.634 -7.816 -0.182 21.14 + H2S 9.978e-09 1.085e-08 -8.001 -7.965 0.036 36.27 + S-2 9.425e-14 2.272e-14 -13.026 -13.644 -0.618 (0) + (H2S)2 5.704e-18 6.201e-18 -17.244 -17.208 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -98832,7 +98312,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -98844,21 +98324,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.86 -10.66 -2.80 CH4 + CH4(g) -7.84 -10.64 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.99 -14.93 -7.94 H2S + H2S(g) -6.97 -14.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.98 -0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -98882,7 +98362,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.207e-11 Surface + diffuse layer charge, eq + -9.235e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -98892,7 +98372,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -98901,14 +98381,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6630e-10 + Cl 4.6628e-10 H 1.2949e-04 - Hto 1.1027e-12 + Hto 1.1026e-12 I 5.2628e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6923e-13 + Nat 1.6920e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -98927,30 +98407,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.345e-12 1.101e-12 + Hto 9.344e-12 1.101e-12 I 4.467e-12 5.262e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.880e-13 3.393e-14 + Nat 2.879e-13 3.392e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.152 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.155 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.733e-10 + Electrical balance (eq) = 4.245e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -98962,20 +98442,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.976e-11 - CH4 1.976e-11 2.148e-11 -10.704 -10.668 0.036 35.46 +C(-4) 2.074e-11 + CH4 2.074e-11 2.255e-11 -10.683 -10.647 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -98989,10 +98469,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.730e-11 - H2 8.652e-12 9.407e-12 -11.063 -11.027 0.036 28.61 -Hto 9.345e-12 - Hto 9.345e-12 9.345e-12 -11.029 -11.029 0.000 (0) +H(0) 1.752e-11 + H2 8.758e-12 9.522e-12 -11.058 -11.021 0.036 28.61 +Hto 9.344e-12 + Hto 9.344e-12 9.344e-12 -11.029 -11.029 0.000 (0) I 4.467e-12 I- 4.467e-12 4.467e-12 -11.350 -11.350 -0.000 (0) K 1.540e-03 @@ -99010,16 +98490,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.880e-13 - Nat+ 2.880e-13 2.880e-13 -12.541 -12.541 -0.000 (0) +Nat 2.879e-13 + Nat+ 2.879e-13 2.879e-13 -12.541 -12.541 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.372 -70.336 0.036 30.40 -S(-2) 3.096e-08 - HS- 2.165e-08 1.425e-08 -7.664 -7.846 -0.182 21.14 - H2S 9.310e-09 1.012e-08 -8.031 -7.995 0.036 36.27 - S-2 8.794e-14 2.120e-14 -13.056 -13.674 -0.618 (0) - (H2S)2 4.966e-18 5.399e-18 -17.304 -17.268 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.383 -70.346 0.036 30.40 +S(-2) 3.251e-08 + HS- 2.273e-08 1.497e-08 -7.643 -7.825 -0.182 21.14 + H2S 9.774e-09 1.063e-08 -8.010 -7.974 0.036 36.27 + S-2 9.233e-14 2.226e-14 -13.035 -13.653 -0.618 (0) + (H2S)2 5.474e-18 5.951e-18 -17.262 -17.225 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -99028,7 +98507,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -99046,21 +98525,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.84 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.00 -14.94 -7.94 H2S + H2S(g) -6.98 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.34 -2.89 O2 + O2(g) -67.45 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.00 -0.12 4.88 S + Sulfur -4.98 -0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -99084,7 +98563,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.198e-11 Surface + diffuse layer charge, eq + -9.226e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -99094,7 +98573,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -99103,14 +98582,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 1.0045e-13 - I 4.0831e-26 + Hto 1.0044e-13 + I 4.0838e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.2047e-15 + Nat 9.2028e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -99129,7 +98608,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.513e-13 1.003e-13 + Hto 8.512e-13 1.003e-13 I 3.466e-13 4.083e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -99141,18 +98620,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.216e-10 + Electrical balance (eq) = 4.747e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -99164,20 +98643,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.953e-11 - CH4 1.953e-11 2.123e-11 -10.709 -10.673 0.036 35.46 +C(-4) 2.051e-11 + CH4 2.051e-11 2.230e-11 -10.688 -10.652 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -99191,10 +98670,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.725e-11 - H2 8.626e-12 9.379e-12 -11.064 -11.028 0.036 28.61 -Hto 8.513e-13 - Hto 8.513e-13 8.513e-13 -12.070 -12.070 0.000 (0) +H(0) 1.747e-11 + H2 8.733e-12 9.495e-12 -11.059 -11.022 0.036 28.61 +Hto 8.512e-13 + Hto 8.512e-13 8.512e-13 -12.070 -12.070 0.000 (0) I 3.466e-13 I- 3.466e-13 3.466e-13 -12.460 -12.460 -0.000 (0) K 1.540e-03 @@ -99212,16 +98691,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.566e-14 Nat+ 1.566e-14 1.566e-14 -13.805 -13.805 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.333 0.036 30.40 -S(-2) 3.060e-08 - HS- 2.140e-08 1.409e-08 -7.670 -7.851 -0.182 21.14 - H2S 9.201e-09 1.000e-08 -8.036 -8.000 0.036 36.27 - S-2 8.691e-14 2.095e-14 -13.061 -13.679 -0.618 (0) - (H2S)2 4.851e-18 5.274e-18 -17.314 -17.278 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.380 -70.344 0.036 30.40 +S(-2) 3.215e-08 + HS- 2.248e-08 1.480e-08 -7.648 -7.830 -0.182 21.14 + H2S 9.666e-09 1.051e-08 -8.015 -7.978 0.036 36.27 + S-2 9.130e-14 2.201e-14 -13.040 -13.657 -0.618 (0) + (H2S)2 5.352e-18 5.819e-18 -17.271 -17.235 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -99230,7 +98708,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -99248,21 +98726,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.98 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.00 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -99286,7 +98764,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.195e-11 Surface + diffuse layer charge, eq + -9.224e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -99296,7 +98774,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -99305,14 +98783,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 7.6793e-15 + Hto 7.6782e-15 I 2.6557e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.1805e-16 + Nat 4.1795e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -99331,30 +98809,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.508e-14 7.667e-15 + Hto 6.507e-14 7.666e-15 I 2.254e-14 2.655e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.114e-16 8.380e-17 + Nat 7.112e-16 8.378e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.655e-10 + Electrical balance (eq) = 1.848e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -99366,20 +98844,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.946e-11 - CH4 1.946e-11 2.116e-11 -10.711 -10.674 0.036 35.46 +C(-4) 2.045e-11 + CH4 2.045e-11 2.223e-11 -10.689 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -99393,10 +98871,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.620e-12 9.371e-12 -11.065 -11.028 0.036 28.61 -Hto 6.508e-14 - Hto 6.508e-14 6.508e-14 -13.187 -13.187 0.000 (0) +H(0) 1.745e-11 + H2 8.727e-12 9.488e-12 -11.059 -11.023 0.036 28.61 +Hto 6.507e-14 + Hto 6.507e-14 6.507e-14 -13.187 -13.187 0.000 (0) I 2.254e-14 I- 2.254e-14 2.254e-14 -13.647 -13.647 -0.000 (0) K 1.540e-03 @@ -99414,16 +98892,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.114e-16 - Nat+ 7.114e-16 7.114e-16 -15.148 -15.148 -0.000 (0) +Nat 7.112e-16 + Nat+ 7.112e-16 7.112e-16 -15.148 -15.148 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.332 0.036 30.40 -S(-2) 3.050e-08 - HS- 2.133e-08 1.404e-08 -7.671 -7.853 -0.182 21.14 - H2S 9.172e-09 9.972e-09 -8.038 -8.001 0.036 36.27 - S-2 8.663e-14 2.088e-14 -13.062 -13.680 -0.618 (0) - (H2S)2 4.820e-18 5.240e-18 -17.317 -17.281 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 +S(-2) 3.205e-08 + HS- 2.241e-08 1.475e-08 -7.650 -7.831 -0.182 21.14 + H2S 9.636e-09 1.048e-08 -8.016 -7.980 0.036 36.27 + S-2 9.102e-14 2.194e-14 -13.041 -13.659 -0.618 (0) + (H2S)2 5.320e-18 5.784e-18 -17.274 -17.238 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -99432,7 +98909,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -99450,21 +98927,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.99 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -99488,7 +98965,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.195e-11 Surface + diffuse layer charge, eq + -9.223e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -99498,7 +98975,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -99507,14 +98984,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6629e-10 H 1.2949e-04 - Hto 4.9418e-16 + Hto 4.9411e-16 I 1.4520e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5922e-17 + Nat 1.5917e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -99533,30 +99010,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.188e-15 4.934e-16 + Hto 4.187e-15 4.933e-16 I 1.232e-15 1.452e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.709e-17 3.192e-18 + Nat 2.709e-17 3.191e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.511e-10 + Electrical balance (eq) = 4.178e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -99568,20 +99045,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.948e-11 - CH4 1.948e-11 2.118e-11 -10.710 -10.674 0.036 35.46 +C(-4) 2.046e-11 + CH4 2.046e-11 2.225e-11 -10.689 -10.653 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -99595,10 +99072,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.724e-11 - H2 8.621e-12 9.373e-12 -11.064 -11.028 0.036 28.61 -Hto 4.188e-15 - Hto 4.188e-15 4.188e-15 -14.378 -14.378 0.000 (0) +H(0) 1.746e-11 + H2 8.728e-12 9.490e-12 -11.059 -11.023 0.036 28.61 +Hto 4.187e-15 + Hto 4.187e-15 4.187e-15 -14.378 -14.378 0.000 (0) I 1.232e-15 I- 1.232e-15 1.232e-15 -14.909 -14.909 -0.000 (0) K 1.540e-03 @@ -99616,16 +99093,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.709e-17 Nat+ 2.709e-17 2.709e-17 -16.567 -16.567 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.369 -70.333 0.036 30.40 -S(-2) 3.053e-08 - HS- 2.135e-08 1.405e-08 -7.671 -7.852 -0.182 21.14 - H2S 9.179e-09 9.980e-09 -8.037 -8.001 0.036 36.27 - S-2 8.670e-14 2.090e-14 -13.062 -13.680 -0.618 (0) - (H2S)2 4.827e-18 5.248e-18 -17.316 -17.280 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.380 -70.343 0.036 30.40 +S(-2) 3.207e-08 + HS- 2.243e-08 1.476e-08 -7.649 -7.831 -0.182 21.14 + H2S 9.643e-09 1.048e-08 -8.016 -7.979 0.036 36.27 + S-2 9.109e-14 2.196e-14 -13.041 -13.658 -0.618 (0) + (H2S)2 5.328e-18 5.793e-18 -17.273 -17.237 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -99634,7 +99110,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -99652,21 +99128,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -6.98 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.00 -0.12 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -99690,7 +99166,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.200e-11 Surface + diffuse layer charge, eq + -9.228e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -99700,7 +99176,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -99709,14 +99185,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6630e-10 + Cl 4.6628e-10 H 1.2949e-04 - Hto 2.6787e-17 - I 6.6799e-30 + Hto 2.6782e-17 + I 6.6807e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.0923e-19 + Nat 5.0908e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -99740,25 +99216,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.665e-19 1.021e-19 + Nat 8.663e-19 1.021e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.152 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.843e-09 + Electrical balance (eq) = 1.496e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307864e+01 @@ -99770,20 +99246,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.966e-11 - CH4 1.966e-11 2.137e-11 -10.706 -10.670 0.036 35.46 +C(-4) 2.064e-11 + CH4 2.064e-11 2.245e-11 -10.685 -10.649 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 @@ -99797,8 +99273,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.728e-11 - H2 8.641e-12 9.395e-12 -11.063 -11.027 0.036 28.61 +H(0) 1.749e-11 + H2 8.747e-12 9.511e-12 -11.058 -11.022 0.036 28.61 Hto 2.270e-16 Hto 2.270e-16 2.270e-16 -15.644 -15.644 0.000 (0) I 5.670e-17 @@ -99818,16 +99294,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 8.665e-19 - Nat+ 8.665e-19 8.665e-19 -18.062 -18.062 -0.000 (0) +Nat 8.663e-19 + Nat+ 8.663e-19 8.663e-19 -18.062 -18.062 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.371 -70.335 0.036 30.40 -S(-2) 3.081e-08 - HS- 2.155e-08 1.418e-08 -7.667 -7.848 -0.182 21.14 - H2S 9.264e-09 1.007e-08 -8.033 -7.997 0.036 36.27 - S-2 8.750e-14 2.109e-14 -13.058 -13.676 -0.618 (0) - (H2S)2 4.917e-18 5.346e-18 -17.308 -17.272 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.382 -70.345 0.036 30.40 +S(-2) 3.235e-08 + HS- 2.263e-08 1.489e-08 -7.645 -7.827 -0.182 21.14 + H2S 9.728e-09 1.058e-08 -8.012 -7.976 0.036 36.27 + S-2 9.189e-14 2.215e-14 -13.037 -13.655 -0.618 (0) + (H2S)2 5.422e-18 5.895e-18 -17.266 -17.230 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -99836,7 +99311,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -99854,21 +99329,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.67 -2.80 CH4 + CH4(g) -7.85 -10.65 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.00 -14.94 -7.94 H2S + H2S(g) -6.98 -14.92 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.44 -70.33 -2.89 O2 + O2(g) -67.45 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.00 -0.12 4.88 S + Sulfur -4.99 -0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -99892,7 +99367,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.214e-11 Surface + diffuse layer charge, eq + -9.242e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -99902,7 +99377,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -99911,14 +99386,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 1.2207e-18 - I 2.5817e-31 + Hto 1.2205e-18 + I 2.5822e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3661e-20 + Nat 1.3656e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -99937,33 +99412,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.034e-17 1.219e-18 + Hto 1.034e-17 1.218e-18 I 2.192e-18 2.582e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.325e-20 2.739e-21 + Nat 2.324e-20 2.738e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.156 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.594e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.779e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -99972,35 +99447,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.023e-11 - CH4 2.023e-11 2.199e-11 -10.694 -10.658 0.036 35.46 +C(-4) 2.121e-11 + CH4 2.121e-11 2.306e-11 -10.673 -10.637 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.741e-11 - H2 8.703e-12 9.462e-12 -11.060 -11.024 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.761e-11 + H2 8.807e-12 9.575e-12 -11.055 -11.019 0.036 28.61 Hto 1.034e-17 Hto 1.034e-17 1.034e-17 -16.985 -16.985 0.000 (0) I 2.192e-18 @@ -100014,22 +99489,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.325e-20 - Nat+ 2.325e-20 2.325e-20 -19.634 -19.634 -0.000 (0) +Nat 2.324e-20 + Nat+ 2.324e-20 2.324e-20 -19.634 -19.634 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.377 -70.341 0.036 30.40 -S(-2) 3.170e-08 - HS- 2.217e-08 1.459e-08 -7.654 -7.836 -0.182 21.14 - H2S 9.531e-09 1.036e-08 -8.021 -7.985 0.036 36.27 - S-2 9.002e-14 2.170e-14 -13.046 -13.664 -0.618 (0) - (H2S)2 5.204e-18 5.658e-18 -17.284 -17.247 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.387 -70.351 0.036 30.40 +S(-2) 3.324e-08 + HS- 2.325e-08 1.530e-08 -7.634 -7.815 -0.182 21.14 + H2S 9.995e-09 1.087e-08 -8.000 -7.964 0.036 36.27 + S-2 9.441e-14 2.276e-14 -13.025 -13.643 -0.618 (0) + (H2S)2 5.723e-18 6.223e-18 -17.242 -17.206 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -100044,7 +99518,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -100056,21 +99530,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.86 -10.66 -2.80 CH4 + CH4(g) -7.84 -10.64 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.99 -14.93 -7.94 H2S + H2S(g) -6.97 -14.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.98 -0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -100094,7 +99568,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.222e-11 Surface + diffuse layer charge, eq + -9.250e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -100104,7 +99578,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -100113,14 +99587,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 4.6558e-20 + Hto 4.6548e-20 I 8.3492e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0609e-22 + Nat 3.0598e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -100139,33 +99613,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.946e-19 4.648e-20 + Hto 3.945e-19 4.647e-20 I 7.086e-20 8.348e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.208e-22 6.136e-23 + Nat 5.207e-22 6.134e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.156 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.589e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.852e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -100176,35 +99650,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.043e-11 - CH4 2.043e-11 2.221e-11 -10.690 -10.653 0.036 35.46 +C(-4) 2.142e-11 + CH4 2.142e-11 2.329e-11 -10.669 -10.633 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.745e-11 - H2 8.725e-12 9.486e-12 -11.059 -11.023 0.036 28.61 -Hto 3.946e-19 - Hto 3.946e-19 3.946e-19 -18.404 -18.404 0.000 (0) + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.766e-11 + H2 8.828e-12 9.598e-12 -11.054 -11.018 0.036 28.61 +Hto 3.945e-19 + Hto 3.945e-19 3.945e-19 -18.404 -18.404 0.000 (0) I 7.086e-20 I- 7.086e-20 7.086e-20 -19.150 -19.150 -0.000 (0) K 1.540e-03 @@ -100216,22 +99690,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.208e-22 - Nat+ 5.208e-22 5.208e-22 -21.283 -21.283 -0.000 (0) +Nat 5.207e-22 + Nat+ 5.207e-22 5.207e-22 -21.283 -21.283 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.379 -70.343 0.036 30.40 -S(-2) 3.202e-08 - HS- 2.239e-08 1.474e-08 -7.650 -7.831 -0.182 21.14 - H2S 9.628e-09 1.047e-08 -8.016 -7.980 0.036 36.27 - S-2 9.094e-14 2.192e-14 -13.041 -13.659 -0.618 (0) - (H2S)2 5.311e-18 5.774e-18 -17.275 -17.239 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.353 0.036 30.40 +S(-2) 3.356e-08 + HS- 2.347e-08 1.545e-08 -7.629 -7.811 -0.182 21.14 + H2S 1.009e-08 1.097e-08 -7.996 -7.960 0.036 36.27 + S-2 9.533e-14 2.298e-14 -13.021 -13.639 -0.618 (0) + (H2S)2 5.835e-18 6.344e-18 -17.234 -17.198 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -100246,7 +99719,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -100258,21 +99731,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.99 -14.92 -7.94 H2S + H2S(g) -6.97 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -100296,7 +99769,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.223e-11 Surface + diffuse layer charge, eq + -9.252e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -100306,7 +99779,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -100315,14 +99788,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 1.4750e-21 + Hto 1.4746e-21 I 2.2400e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.6374e-24 + Nat 5.6352e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -100341,33 +99814,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.250e-20 1.473e-21 + Hto 1.250e-20 1.472e-21 I 1.902e-21 2.240e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.593e-24 1.130e-24 + Nat 9.589e-24 1.130e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.586e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.857e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -100376,35 +99849,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.047e-11 - CH4 2.047e-11 2.225e-11 -10.689 -10.653 0.036 35.46 +C(-4) 2.145e-11 + CH4 2.145e-11 2.332e-11 -10.669 -10.632 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.746e-11 - H2 8.728e-12 9.490e-12 -11.059 -11.023 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.766e-11 + H2 8.832e-12 9.602e-12 -11.054 -11.018 0.036 28.61 Hto 1.250e-20 Hto 1.250e-20 1.250e-20 -19.903 -19.903 0.000 (0) I 1.902e-21 @@ -100418,22 +99891,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 9.593e-24 - Nat+ 9.593e-24 9.593e-24 -23.018 -23.018 -0.000 (0) +Nat 9.589e-24 + Nat+ 9.589e-24 9.589e-24 -23.018 -23.018 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.343 0.036 30.40 -S(-2) 3.207e-08 - HS- 2.243e-08 1.477e-08 -7.649 -7.831 -0.182 21.14 - H2S 9.644e-09 1.049e-08 -8.016 -7.979 0.036 36.27 - S-2 9.109e-14 2.196e-14 -13.041 -13.658 -0.618 (0) - (H2S)2 5.329e-18 5.794e-18 -17.273 -17.237 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.362e-08 + HS- 2.351e-08 1.548e-08 -7.629 -7.810 -0.182 21.14 + H2S 1.011e-08 1.099e-08 -7.995 -7.959 0.036 36.27 + S-2 9.549e-14 2.302e-14 -13.020 -13.638 -0.618 (0) + (H2S)2 5.854e-18 6.365e-18 -17.233 -17.196 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -100448,7 +99920,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -100460,21 +99932,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -100498,7 +99970,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.223e-11 Surface + diffuse layer charge, eq + -9.252e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -100508,7 +99980,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -100517,9 +99989,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 3.8354e-23 + Hto 3.8344e-23 I 4.8673e-36 K 8.9156e-04 Mg 4.6365e-02 @@ -100542,7 +100014,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.250e-22 3.829e-23 + Hto 3.250e-22 3.828e-23 I 4.131e-23 4.867e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -100553,21 +100025,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.585e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.857e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -100576,35 +100048,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.047e-11 - CH4 2.047e-11 2.225e-11 -10.689 -10.653 0.036 35.46 +C(-4) 2.146e-11 + CH4 2.146e-11 2.333e-11 -10.668 -10.632 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.746e-11 - H2 8.729e-12 9.490e-12 -11.059 -11.023 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.766e-11 + H2 8.832e-12 9.603e-12 -11.054 -11.018 0.036 28.61 Hto 3.250e-22 Hto 3.250e-22 3.250e-22 -21.488 -21.488 0.000 (0) I 4.131e-23 @@ -100618,20 +100090,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.343 0.036 30.40 -S(-2) 3.208e-08 - HS- 2.243e-08 1.477e-08 -7.649 -7.831 -0.182 21.14 - H2S 9.646e-09 1.049e-08 -8.016 -7.979 0.036 36.27 - S-2 9.111e-14 2.196e-14 -13.040 -13.658 -0.618 (0) - (H2S)2 5.330e-18 5.795e-18 -17.273 -17.237 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.362e-08 + HS- 2.351e-08 1.548e-08 -7.629 -7.810 -0.182 21.14 + H2S 1.011e-08 1.099e-08 -7.995 -7.959 0.036 36.27 + S-2 9.550e-14 2.302e-14 -13.020 -13.638 -0.618 (0) + (H2S)2 5.856e-18 6.367e-18 -17.232 -17.196 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -100646,7 +100117,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -100658,21 +100129,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -100696,7 +100167,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.223e-11 Surface + diffuse layer charge, eq + -9.252e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -100706,7 +100177,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -100715,9 +100186,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 7.6951e-25 + Hto 7.6931e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -100739,7 +100210,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.521e-24 7.683e-25 + Hto 6.520e-24 7.681e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -100749,21 +100220,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.589e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.857e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -100772,37 +100243,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.047e-11 - CH4 2.047e-11 2.225e-11 -10.689 -10.653 0.036 35.46 +C(-4) 2.146e-11 + CH4 2.146e-11 2.333e-11 -10.668 -10.632 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.746e-11 - H2 8.729e-12 9.490e-12 -11.059 -11.023 0.036 28.61 -Hto 6.521e-24 - Hto 6.521e-24 6.521e-24 -23.186 -23.186 0.000 (0) + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.766e-11 + H2 8.832e-12 9.603e-12 -11.054 -11.018 0.036 28.61 +Hto 6.520e-24 + Hto 6.520e-24 6.520e-24 -23.186 -23.186 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -100812,20 +100283,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.343 0.036 30.40 -S(-2) 3.208e-08 - HS- 2.243e-08 1.477e-08 -7.649 -7.831 -0.182 21.14 - H2S 9.646e-09 1.049e-08 -8.016 -7.979 0.036 36.27 - S-2 9.111e-14 2.196e-14 -13.040 -13.658 -0.618 (0) - (H2S)2 5.330e-18 5.795e-18 -17.273 -17.237 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.362e-08 + HS- 2.351e-08 1.548e-08 -7.629 -7.810 -0.182 21.14 + H2S 1.011e-08 1.099e-08 -7.995 -7.959 0.036 36.27 + S-2 9.550e-14 2.302e-14 -13.020 -13.638 -0.618 (0) + (H2S)2 5.856e-18 6.367e-18 -17.232 -17.196 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -100840,7 +100310,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -100852,21 +100322,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -100890,7 +100360,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.224e-11 Surface + diffuse layer charge, eq + -9.252e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -100900,7 +100370,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -100909,7 +100379,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -100941,21 +100411,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.587e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.856e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -100964,35 +100434,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.047e-11 - CH4 2.047e-11 2.225e-11 -10.689 -10.653 0.036 35.46 +C(-4) 2.146e-11 + CH4 2.146e-11 2.333e-11 -10.668 -10.632 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.746e-11 - H2 8.729e-12 9.490e-12 -11.059 -11.023 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.766e-11 + H2 8.832e-12 9.603e-12 -11.054 -11.018 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -101002,20 +100472,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.343 0.036 30.40 -S(-2) 3.208e-08 - HS- 2.243e-08 1.477e-08 -7.649 -7.831 -0.182 21.14 - H2S 9.646e-09 1.049e-08 -8.016 -7.979 0.036 36.27 - S-2 9.111e-14 2.196e-14 -13.040 -13.658 -0.618 (0) - (H2S)2 5.330e-18 5.795e-18 -17.273 -17.237 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.362e-08 + HS- 2.351e-08 1.548e-08 -7.629 -7.810 -0.182 21.14 + H2S 1.011e-08 1.099e-08 -7.995 -7.959 0.036 36.27 + S-2 9.550e-14 2.302e-14 -13.020 -13.638 -0.618 (0) + (H2S)2 5.856e-18 6.367e-18 -17.232 -17.196 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -101030,7 +100499,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -101042,21 +100511,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -101080,7 +100549,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.224e-11 Surface + diffuse layer charge, eq + -9.251e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -101090,7 +100559,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -101099,7 +100568,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -101131,21 +100600,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.588e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.857e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -101154,35 +100623,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.047e-11 - CH4 2.047e-11 2.226e-11 -10.689 -10.653 0.036 35.46 +C(-4) 2.146e-11 + CH4 2.146e-11 2.333e-11 -10.668 -10.632 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.746e-11 - H2 8.729e-12 9.490e-12 -11.059 -11.023 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.766e-11 + H2 8.832e-12 9.603e-12 -11.054 -11.018 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -101192,20 +100661,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.343 0.036 30.40 -S(-2) 3.208e-08 - HS- 2.243e-08 1.477e-08 -7.649 -7.831 -0.182 21.14 - H2S 9.646e-09 1.049e-08 -8.016 -7.979 0.036 36.27 - S-2 9.111e-14 2.196e-14 -13.040 -13.658 -0.618 (0) - (H2S)2 5.330e-18 5.795e-18 -17.273 -17.237 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.362e-08 + HS- 2.351e-08 1.548e-08 -7.629 -7.810 -0.182 21.14 + H2S 1.011e-08 1.099e-08 -7.995 -7.959 0.036 36.27 + S-2 9.550e-14 2.302e-14 -13.020 -13.638 -0.618 (0) + (H2S)2 5.856e-18 6.367e-18 -17.232 -17.196 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -101220,7 +100688,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -101232,21 +100700,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -101270,7 +100738,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.224e-11 Surface + diffuse layer charge, eq + -9.252e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -101280,7 +100748,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -101289,7 +100757,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -101321,21 +100789,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.585e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.857e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -101344,35 +100812,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.047e-11 - CH4 2.047e-11 2.226e-11 -10.689 -10.653 0.036 35.46 +C(-4) 2.146e-11 + CH4 2.146e-11 2.333e-11 -10.668 -10.632 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.746e-11 - H2 8.729e-12 9.490e-12 -11.059 -11.023 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.766e-11 + H2 8.832e-12 9.603e-12 -11.054 -11.018 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -101382,20 +100850,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.343 0.036 30.40 -S(-2) 3.208e-08 - HS- 2.243e-08 1.477e-08 -7.649 -7.831 -0.182 21.14 - H2S 9.646e-09 1.049e-08 -8.016 -7.979 0.036 36.27 - S-2 9.111e-14 2.196e-14 -13.040 -13.658 -0.618 (0) - (H2S)2 5.331e-18 5.796e-18 -17.273 -17.237 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.362e-08 + HS- 2.351e-08 1.548e-08 -7.629 -7.810 -0.182 21.14 + H2S 1.011e-08 1.099e-08 -7.995 -7.959 0.036 36.27 + S-2 9.550e-14 2.302e-14 -13.020 -13.638 -0.618 (0) + (H2S)2 5.856e-18 6.367e-18 -17.232 -17.196 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -101410,7 +100877,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -101422,21 +100889,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -101466,18 +100933,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -101491,8 +100958,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -101516,8 +100983,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -101537,16 +101004,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -101573,21 +101039,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -101615,18 +101081,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -101640,8 +101106,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -101665,8 +101131,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -101686,16 +101152,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -101722,21 +101187,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -101773,18 +101238,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.970 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.964 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.932e-12 + Electrical balance (eq) = -8.735e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -101798,8 +101263,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.952e-13 - CH4 6.952e-13 7.558e-13 -12.158 -12.122 0.036 35.46 +C(-4) 6.225e-13 + CH4 6.225e-13 6.768e-13 -12.206 -12.170 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -101808,7 +101273,7 @@ C(4) 2.744e-03 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 @@ -101823,8 +101288,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 7.493e-12 - H2 3.747e-12 4.073e-12 -11.426 -11.390 0.036 28.61 +H(0) 7.289e-12 + H2 3.644e-12 3.962e-12 -11.438 -11.402 0.036 28.61 Hto 6.063e-07 Hto 6.063e-07 6.063e-07 -6.217 -6.217 0.000 (0) I 7.634e-07 @@ -101838,22 +101303,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.627e-06 3.943e-06 -5.441 -5.404 0.036 -17.09 MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.649e-07 Nat+ 3.649e-07 3.649e-07 -6.438 -6.438 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.645 -69.609 0.036 30.40 -S(-2) 1.090e-09 - HS- 7.620e-10 5.016e-10 -9.118 -9.300 -0.182 21.14 - H2S 3.279e-10 3.565e-10 -9.484 -9.448 0.036 36.27 - S-2 3.092e-15 7.454e-16 -14.510 -15.128 -0.618 (0) - (H2S)2 6.159e-21 6.696e-21 -20.211 -20.174 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.621 -69.585 0.036 30.40 +S(-2) 9.758e-10 + HS- 6.822e-10 4.491e-10 -9.166 -9.348 -0.182 21.14 + H2S 2.936e-10 3.192e-10 -9.532 -9.496 0.036 36.27 + S-2 2.769e-15 6.674e-16 -14.558 -15.176 -0.618 (0) + (H2S)2 4.938e-21 5.368e-21 -20.306 -20.270 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -101880,21 +101344,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.32 -12.12 -2.80 CH4 + CH4(g) -9.37 -12.17 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.29 -11.39 -3.10 H2 + H2(g) -8.30 -11.40 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.45 -16.39 -7.94 H2S + H2S(g) -8.50 -16.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.72 -69.61 -2.89 O2 + O2(g) -66.69 -69.58 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.09 -1.21 4.88 S + Sulfur -6.13 -1.24 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -101918,7 +101382,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.080e-14 Surface + diffuse layer charge, eq + -4.091e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -101928,7 +101392,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -101940,7 +101404,7 @@ Su Cl 4.6660e-10 H 1.2947e-04 Hto 5.7803e-08 - I 7.3705e-20 + I 7.3692e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -101975,18 +101439,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.059 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.056 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.950e-09 + Electrical balance (eq) = 1.692e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -102000,8 +101464,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.611e-12 - CH4 3.611e-12 3.926e-12 -11.442 -11.406 0.036 35.46 +C(-4) 3.418e-12 + CH4 3.418e-12 3.717e-12 -11.466 -11.430 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -102025,8 +101489,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.131e-11 - H2 5.656e-12 6.150e-12 -11.247 -11.211 0.036 28.61 +H(0) 1.116e-11 + H2 5.579e-12 6.066e-12 -11.253 -11.217 0.036 28.61 Hto 4.899e-07 Hto 4.899e-07 4.899e-07 -6.310 -6.310 0.000 (0) I 6.256e-07 @@ -102046,16 +101510,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.020e-07 Nat+ 3.020e-07 3.020e-07 -6.520 -6.520 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.003 -69.966 0.036 30.40 -S(-2) 5.661e-09 - HS- 3.958e-09 2.605e-09 -8.403 -8.584 -0.182 21.14 - H2S 1.703e-09 1.851e-09 -8.769 -8.732 0.036 36.27 - S-2 1.606e-14 3.872e-15 -13.794 -14.412 -0.618 (0) - (H2S)2 1.661e-19 1.806e-19 -18.780 -18.743 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.991 -69.955 0.036 30.40 +S(-2) 5.359e-09 + HS- 3.747e-09 2.466e-09 -8.426 -8.608 -0.182 21.14 + H2S 1.612e-09 1.753e-09 -8.793 -8.756 0.036 36.27 + S-2 1.521e-14 3.665e-15 -13.818 -14.436 -0.618 (0) + (H2S)2 1.489e-19 1.619e-19 -18.827 -18.791 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -102082,21 +101545,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.60 -11.41 -2.80 CH4 + CH4(g) -8.63 -11.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.11 -11.21 -3.10 H2 + H2(g) -8.12 -11.22 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.74 -15.67 -7.94 H2S + H2S(g) -7.76 -15.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.07 -69.97 -2.89 O2 + O2(g) -67.06 -69.95 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.55 -0.67 4.88 S + Sulfur -5.57 -0.69 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -102120,7 +101583,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.179e-11 Surface + diffuse layer charge, eq + -9.169e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -102130,7 +101593,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -102139,14 +101602,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6636e-10 + Cl 4.6637e-10 H 1.2948e-04 Hto 2.7688e-08 - I 3.1876e-20 + I 3.1870e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.7224e-08 + Nat 6.7222e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -102177,21 +101640,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.141 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.140 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.052e-09 + Electrical balance (eq) = 4.438e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307863e+01 + Total H = 1.307864e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -102202,15 +101665,15 @@ Su OH- 1.874e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.611e-11 - CH4 1.611e-11 1.752e-11 -10.793 -10.757 0.036 35.46 +C(-4) 1.587e-11 + CH4 1.587e-11 1.726e-11 -10.799 -10.763 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.605e-07 -5.471 -6.065 -0.594 -1.53 @@ -102221,14 +101684,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.012e-06 9.799e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.012e-06 9.798e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.642e-09 -8.403 -8.249 0.155 (0) -H(0) 1.644e-11 - H2 8.221e-12 8.939e-12 -11.085 -11.049 0.036 28.61 +H(0) 1.638e-11 + H2 8.191e-12 8.905e-12 -11.087 -11.050 0.036 28.61 Hto 2.346e-07 Hto 2.346e-07 2.346e-07 -6.630 -6.630 0.000 (0) I 2.705e-07 @@ -102248,16 +101711,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.144e-07 Nat+ 1.144e-07 1.144e-07 -6.942 -6.942 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.328 -70.291 0.036 30.40 -S(-2) 2.525e-08 - HS- 1.766e-08 1.162e-08 -7.753 -7.935 -0.182 21.14 - H2S 7.594e-09 8.256e-09 -8.120 -8.083 0.036 36.27 - S-2 7.170e-14 1.728e-14 -13.144 -13.762 -0.618 (0) - (H2S)2 3.304e-18 3.592e-18 -17.481 -17.445 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.324 -70.288 0.036 30.40 +S(-2) 2.488e-08 + HS- 1.740e-08 1.145e-08 -7.760 -7.941 -0.182 21.14 + H2S 7.481e-09 8.134e-09 -8.126 -8.090 0.036 36.27 + S-2 7.064e-14 1.703e-14 -13.151 -13.769 -0.618 (0) + (H2S)2 3.207e-18 3.486e-18 -17.494 -17.458 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -102273,7 +101735,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.533e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.153e-10 8.082e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -102284,21 +101746,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.95 -10.76 -2.80 CH4 + CH4(g) -7.96 -10.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.95 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.09 -15.02 -7.94 H2S + H2S(g) -7.10 -15.03 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.40 -70.29 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.07 -0.18 4.88 S + Sulfur -5.07 -0.19 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -102322,7 +101784,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.288e-11 Surface + diffuse layer charge, eq + -9.291e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -102332,7 +101794,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -102343,12 +101805,12 @@ Su Ca 7.1884e-02 Cl 4.6629e-10 H 1.2949e-04 - Hto 9.7364e-09 + Hto 9.7362e-09 I 9.9080e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6493e-08 + Nat 1.6492e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -102367,7 +101829,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.251e-08 9.721e-09 + Hto 8.251e-08 9.720e-09 I 8.410e-08 9.907e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -102380,18 +101842,18 @@ Su pH = 7.090 Charge balance pe = -3.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.692e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.811e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -102402,10 +101864,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.997e-11 - CH4 1.997e-11 2.171e-11 -10.700 -10.663 0.036 35.46 +C(-4) 2.028e-11 + CH4 2.028e-11 2.205e-11 -10.693 -10.657 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -102429,8 +101891,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.735e-11 - H2 8.675e-12 9.432e-12 -11.062 -11.025 0.036 28.61 +H(0) 1.742e-11 + H2 8.709e-12 9.468e-12 -11.060 -11.024 0.036 28.61 Hto 8.251e-08 Hto 8.251e-08 8.251e-08 -7.083 -7.083 0.000 (0) I 8.410e-08 @@ -102450,16 +101912,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.806e-08 Nat+ 2.806e-08 2.806e-08 -7.552 -7.552 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.374 -70.338 0.036 30.40 -S(-2) 3.130e-08 - HS- 2.189e-08 1.441e-08 -7.660 -7.841 -0.182 21.14 - H2S 9.411e-09 1.023e-08 -8.026 -7.990 0.036 36.27 - S-2 8.889e-14 2.143e-14 -13.051 -13.669 -0.618 (0) - (H2S)2 5.075e-18 5.517e-18 -17.295 -17.258 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.378 -70.341 0.036 30.40 +S(-2) 3.179e-08 + HS- 2.223e-08 1.463e-08 -7.653 -7.835 -0.182 21.14 + H2S 9.557e-09 1.039e-08 -8.020 -7.983 0.036 36.27 + S-2 9.028e-14 2.176e-14 -13.044 -13.662 -0.618 (0) + (H2S)2 5.233e-18 5.690e-18 -17.281 -17.245 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -102486,21 +101947,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.86 -10.66 -2.80 CH4 + CH4(g) -7.85 -10.66 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.03 -3.10 H2 + H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.00 -14.93 -7.94 H2S + H2S(g) -6.99 -14.93 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.00 -0.11 4.88 S + Sulfur -4.99 -0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -102524,7 +101985,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.278e-11 Surface + diffuse layer charge, eq + -9.300e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -102534,7 +101995,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -102543,14 +102004,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6626e-10 H 1.2949e-04 - Hto 2.6135e-09 + Hto 2.6134e-09 I 2.3198e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8977e-09 + Nat 2.8975e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -102574,26 +102035,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.931e-09 5.809e-10 + Nat 4.930e-09 5.809e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.158 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.647e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.828e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -102604,35 +102065,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.112e-11 - CH4 2.112e-11 2.296e-11 -10.675 -10.639 0.036 35.46 +C(-4) 2.188e-11 + CH4 2.188e-11 2.379e-11 -10.660 -10.624 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.759e-11 - H2 8.797e-12 9.564e-12 -11.056 -11.019 0.036 28.61 +H(0) 1.775e-11 + H2 8.875e-12 9.650e-12 -11.052 -11.015 0.036 28.61 Hto 2.215e-08 Hto 2.215e-08 2.215e-08 -7.655 -7.655 0.000 (0) I 1.969e-08 @@ -102652,16 +102113,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.931e-09 - Nat+ 4.931e-09 4.931e-09 -8.307 -8.307 -0.000 (0) +Nat 4.930e-09 + Nat+ 4.930e-09 4.930e-09 -8.307 -8.307 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.386 -70.350 0.036 30.40 -S(-2) 3.309e-08 - HS- 2.314e-08 1.523e-08 -7.636 -7.817 -0.182 21.14 - H2S 9.950e-09 1.082e-08 -8.002 -7.966 0.036 36.27 - S-2 9.399e-14 2.266e-14 -13.027 -13.645 -0.618 (0) - (H2S)2 5.672e-18 6.167e-18 -17.246 -17.210 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.394 -70.358 0.036 30.40 +S(-2) 3.429e-08 + HS- 2.398e-08 1.578e-08 -7.620 -7.802 -0.182 21.14 + H2S 1.031e-08 1.121e-08 -7.987 -7.950 0.036 36.27 + S-2 9.739e-14 2.348e-14 -13.012 -13.629 -0.618 (0) + (H2S)2 6.089e-18 6.620e-18 -17.215 -17.179 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -102688,21 +102148,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.84 -10.64 -2.80 CH4 + CH4(g) -7.82 -10.62 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.97 -14.91 -7.94 H2S + H2S(g) -6.96 -14.89 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.98 -0.10 4.88 S + Sulfur -4.97 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -102726,7 +102186,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.262e-11 Surface + diffuse layer charge, eq + -9.290e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -102736,7 +102196,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -102745,14 +102205,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 5.5244e-10 - I 4.2409e-22 + Hto 5.5241e-10 + I 4.2419e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8669e-10 + Nat 3.8665e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -102771,31 +102231,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.682e-09 5.515e-10 + Hto 4.681e-09 5.515e-10 I 3.600e-09 4.241e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.580e-10 7.752e-11 + Nat 6.579e-10 7.751e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.656e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.817e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -102806,37 +102266,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.140e-11 - CH4 2.140e-11 2.327e-11 -10.670 -10.633 0.036 35.46 +C(-4) 2.234e-11 + CH4 2.234e-11 2.429e-11 -10.651 -10.615 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.765e-11 - H2 8.827e-12 9.597e-12 -11.054 -11.018 0.036 28.61 -Hto 4.682e-09 - Hto 4.682e-09 4.682e-09 -8.330 -8.330 0.000 (0) +H(0) 1.784e-11 + H2 8.922e-12 9.700e-12 -11.050 -11.013 0.036 28.61 +Hto 4.681e-09 + Hto 4.681e-09 4.681e-09 -8.330 -8.330 0.000 (0) I 3.600e-09 I- 3.600e-09 3.600e-09 -8.444 -8.444 -0.000 (0) K 1.540e-03 @@ -102854,16 +102314,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 6.580e-10 - Nat+ 6.580e-10 6.580e-10 -9.182 -9.182 -0.000 (0) +Nat 6.579e-10 + Nat+ 6.579e-10 6.579e-10 -9.182 -9.182 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.389 -70.353 0.036 30.40 -S(-2) 3.354e-08 - HS- 2.346e-08 1.544e-08 -7.630 -7.811 -0.182 21.14 - H2S 1.008e-08 1.096e-08 -7.996 -7.960 0.036 36.27 - S-2 9.526e-14 2.296e-14 -13.021 -13.639 -0.618 (0) - (H2S)2 5.827e-18 6.335e-18 -17.235 -17.198 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.399 -70.362 0.036 30.40 +S(-2) 3.501e-08 + HS- 2.448e-08 1.612e-08 -7.611 -7.793 -0.182 21.14 + H2S 1.053e-08 1.144e-08 -7.978 -7.941 0.036 36.27 + S-2 9.943e-14 2.397e-14 -13.002 -13.620 -0.618 (0) + (H2S)2 6.347e-18 6.901e-18 -17.197 -17.161 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -102873,13 +102332,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -102890,21 +102349,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.97 -14.90 -7.94 H2S + H2S(g) -6.95 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -102928,7 +102387,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.254e-11 Surface + diffuse layer charge, eq + -9.282e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -102938,7 +102397,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -102947,14 +102406,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 9.4144e-11 - I 6.2168e-23 + Hto 9.4138e-11 + I 6.2155e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.0686e-11 + Nat 4.0681e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -102978,26 +102437,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.923e-11 8.156e-12 + Nat 6.922e-11 8.155e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.664e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.812e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -103008,35 +102467,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.141e-11 - CH4 2.141e-11 2.327e-11 -10.669 -10.633 0.036 35.46 +C(-4) 2.238e-11 + CH4 2.238e-11 2.434e-11 -10.650 -10.614 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.765e-11 - H2 8.827e-12 9.597e-12 -11.054 -11.018 0.036 28.61 +H(0) 1.785e-11 + H2 8.926e-12 9.705e-12 -11.049 -11.013 0.036 28.61 Hto 7.978e-10 Hto 7.978e-10 7.978e-10 -9.098 -9.098 0.000 (0) I 5.276e-10 @@ -103056,16 +102515,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 6.923e-11 - Nat+ 6.923e-11 6.923e-11 -10.160 -10.160 -0.000 (0) +Nat 6.922e-11 + Nat+ 6.922e-11 6.922e-11 -10.160 -10.160 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.389 -70.353 0.036 30.40 -S(-2) 3.355e-08 - HS- 2.346e-08 1.544e-08 -7.630 -7.811 -0.182 21.14 - H2S 1.009e-08 1.097e-08 -7.996 -7.960 0.036 36.27 - S-2 9.528e-14 2.297e-14 -13.021 -13.639 -0.618 (0) - (H2S)2 5.829e-18 6.337e-18 -17.234 -17.198 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.399 -70.363 0.036 30.40 +S(-2) 3.508e-08 + HS- 2.453e-08 1.615e-08 -7.610 -7.792 -0.182 21.14 + H2S 1.055e-08 1.147e-08 -7.977 -7.941 0.036 36.27 + S-2 9.964e-14 2.402e-14 -13.002 -13.619 -0.618 (0) + (H2S)2 6.373e-18 6.929e-18 -17.196 -17.159 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -103075,13 +102533,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -103092,21 +102550,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.97 -14.90 -7.94 H2S + H2S(g) -6.95 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -103130,7 +102588,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.249e-11 Surface + diffuse layer charge, eq + -9.277e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -103140,7 +102598,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -103149,14 +102607,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6626e-10 H 1.2949e-04 - Hto 1.3162e-11 - I 7.4446e-24 + Hto 1.3161e-11 + I 7.4430e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.4612e-12 + Nat 3.4606e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -103180,26 +102638,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.890e-12 6.938e-13 + Nat 5.889e-12 6.937e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.158 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.666e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.809e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -103210,35 +102668,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.120e-11 - CH4 2.120e-11 2.305e-11 -10.674 -10.637 0.036 35.46 +C(-4) 2.219e-11 + CH4 2.219e-11 2.412e-11 -10.654 -10.618 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.761e-11 - H2 8.806e-12 9.574e-12 -11.055 -11.019 0.036 28.61 +H(0) 1.781e-11 + H2 8.906e-12 9.683e-12 -11.050 -11.014 0.036 28.61 Hto 1.115e-10 Hto 1.115e-10 1.115e-10 -9.953 -9.953 0.000 (0) I 6.318e-11 @@ -103258,16 +102716,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.890e-12 - Nat+ 5.890e-12 5.890e-12 -11.230 -11.230 -0.000 (0) +Nat 5.889e-12 + Nat+ 5.889e-12 5.889e-12 -11.230 -11.230 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.387 -70.351 0.036 30.40 -S(-2) 3.322e-08 - HS- 2.323e-08 1.530e-08 -7.634 -7.815 -0.182 21.14 - H2S 9.990e-09 1.086e-08 -8.000 -7.964 0.036 36.27 - S-2 9.436e-14 2.275e-14 -13.025 -13.643 -0.618 (0) - (H2S)2 5.717e-18 6.216e-18 -17.243 -17.206 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.397 -70.361 0.036 30.40 +S(-2) 3.477e-08 + HS- 2.431e-08 1.601e-08 -7.614 -7.796 -0.182 21.14 + H2S 1.045e-08 1.137e-08 -7.981 -7.944 0.036 36.27 + S-2 9.875e-14 2.380e-14 -13.005 -13.623 -0.618 (0) + (H2S)2 6.260e-18 6.807e-18 -17.203 -17.167 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -103283,7 +102740,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -103294,21 +102751,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.84 -10.64 -2.80 CH4 + CH4(g) -7.82 -10.62 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.97 -14.91 -7.94 H2S + H2S(g) -6.95 -14.89 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.98 -0.10 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -103332,7 +102789,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.236e-11 Surface + diffuse layer charge, eq + -9.264e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -103342,7 +102799,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -103351,14 +102808,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6628e-10 + Cl 4.6626e-10 H 1.2949e-04 - Hto 1.5289e-12 - I 7.3853e-25 + Hto 1.5288e-12 + I 7.3873e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4221e-13 + Nat 2.4217e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -103382,28 +102839,28 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.122e-13 4.856e-14 + Nat 4.121e-13 4.855e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.813e-10 + Electrical balance (eq) = 3.322e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -103412,37 +102869,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.079e-11 - CH4 2.079e-11 2.260e-11 -10.682 -10.646 0.036 35.46 +C(-4) 2.177e-11 + CH4 2.177e-11 2.367e-11 -10.662 -10.626 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.752e-11 - H2 8.762e-12 9.527e-12 -11.057 -11.021 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.773e-11 + H2 8.865e-12 9.638e-12 -11.052 -11.016 0.036 28.61 Hto 1.296e-11 - Hto 1.296e-11 1.296e-11 -10.887 -10.887 0.000 (0) + Hto 1.296e-11 1.296e-11 -10.888 -10.888 0.000 (0) I 6.269e-12 I- 6.269e-12 6.269e-12 -11.203 -11.203 -0.000 (0) K 1.540e-03 @@ -103454,22 +102911,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.122e-13 - Nat+ 4.122e-13 4.122e-13 -12.385 -12.385 -0.000 (0) +Nat 4.121e-13 + Nat+ 4.121e-13 4.121e-13 -12.385 -12.385 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.383 -70.347 0.036 30.40 -S(-2) 3.258e-08 - HS- 2.278e-08 1.500e-08 -7.642 -7.824 -0.182 21.14 - H2S 9.795e-09 1.065e-08 -8.009 -7.973 0.036 36.27 - S-2 9.252e-14 2.230e-14 -13.034 -13.652 -0.618 (0) - (H2S)2 5.497e-18 5.976e-18 -17.260 -17.224 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.393 -70.357 0.036 30.40 +S(-2) 3.412e-08 + HS- 2.386e-08 1.571e-08 -7.622 -7.804 -0.182 21.14 + H2S 1.026e-08 1.115e-08 -7.989 -7.953 0.036 36.27 + S-2 9.691e-14 2.336e-14 -13.014 -13.632 -0.618 (0) + (H2S)2 6.030e-18 6.556e-18 -17.220 -17.183 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -103484,7 +102940,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -103496,21 +102952,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.84 -10.65 -2.80 CH4 + CH4(g) -7.82 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.91 -7.94 H2S + H2S(g) -6.96 -14.89 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.35 -2.89 O2 + O2(g) -67.46 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.98 -0.10 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -103534,7 +102990,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.227e-11 Surface + diffuse layer charge, eq + -9.255e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -103544,7 +103000,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -103553,14 +103009,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 1.4893e-13 - I 6.1329e-26 + Hto 1.4891e-13 + I 6.1317e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4112e-14 + Nat 1.4109e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -103584,28 +103040,28 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.401e-14 2.829e-15 + Nat 2.401e-14 2.828e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.296e-10 + Electrical balance (eq) = 3.824e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -103614,35 +103070,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.055e-11 - CH4 2.055e-11 2.235e-11 -10.687 -10.651 0.036 35.46 +C(-4) 2.154e-11 + CH4 2.154e-11 2.342e-11 -10.667 -10.630 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.748e-11 - H2 8.738e-12 9.500e-12 -11.059 -11.022 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.768e-11 + H2 8.841e-12 9.612e-12 -11.054 -11.017 0.036 28.61 Hto 1.262e-12 Hto 1.262e-12 1.262e-12 -11.899 -11.899 0.000 (0) I 5.205e-13 @@ -103656,22 +103112,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.401e-14 Nat+ 2.401e-14 2.401e-14 -13.620 -13.620 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.381 -70.344 0.036 30.40 -S(-2) 3.221e-08 - HS- 2.253e-08 1.483e-08 -7.647 -7.829 -0.182 21.14 - H2S 9.685e-09 1.053e-08 -8.014 -7.978 0.036 36.27 - S-2 9.148e-14 2.205e-14 -13.039 -13.657 -0.618 (0) - (H2S)2 5.374e-18 5.843e-18 -17.270 -17.233 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.391 -70.354 0.036 30.40 +S(-2) 3.376e-08 + HS- 2.361e-08 1.554e-08 -7.627 -7.809 -0.182 21.14 + H2S 1.015e-08 1.103e-08 -7.994 -7.957 0.036 36.27 + S-2 9.588e-14 2.311e-14 -13.018 -13.636 -0.618 (0) + (H2S)2 5.902e-18 6.417e-18 -17.229 -17.193 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -103686,7 +103141,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -103698,21 +103153,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -103736,7 +103191,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.224e-11 Surface + diffuse layer charge, eq + -9.252e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -103746,7 +103201,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -103755,14 +103210,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 1.2242e-14 - I 4.2890e-27 + Hto 1.2240e-14 + I 4.2898e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.9009e-16 + Nat 6.8993e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -103793,21 +103248,21 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.735e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -7.375e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -103816,35 +103271,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.049e-11 - CH4 2.049e-11 2.227e-11 -10.689 -10.652 0.036 35.46 +C(-4) 2.147e-11 + CH4 2.147e-11 2.335e-11 -10.668 -10.632 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.746e-11 - H2 8.731e-12 9.492e-12 -11.059 -11.023 0.036 28.61 + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.767e-11 + H2 8.834e-12 9.605e-12 -11.054 -11.018 0.036 28.61 Hto 1.037e-13 Hto 1.037e-13 1.037e-13 -12.984 -12.984 0.000 (0) I 3.641e-14 @@ -103858,22 +103313,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.174e-15 Nat+ 1.174e-15 1.174e-15 -14.930 -14.930 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.344 0.036 30.40 -S(-2) 3.211e-08 - HS- 2.245e-08 1.478e-08 -7.649 -7.830 -0.182 21.14 - H2S 9.654e-09 1.050e-08 -8.015 -7.979 0.036 36.27 - S-2 9.119e-14 2.198e-14 -13.040 -13.658 -0.618 (0) - (H2S)2 5.340e-18 5.806e-18 -17.272 -17.236 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.365e-08 + HS- 2.353e-08 1.549e-08 -7.628 -7.810 -0.182 21.14 + H2S 1.012e-08 1.100e-08 -7.995 -7.959 0.036 36.27 + S-2 9.558e-14 2.304e-14 -13.020 -13.638 -0.618 (0) + (H2S)2 5.866e-18 6.377e-18 -17.232 -17.195 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -103888,7 +103342,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -103900,21 +103354,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -103938,7 +103392,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.224e-11 Surface + diffuse layer charge, eq + -9.252e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -103948,7 +103402,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -103957,14 +103411,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6629e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 8.5229e-16 + Hto 8.5216e-16 I 2.5377e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8469e-17 + Nat 2.8461e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -103983,33 +103437,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.223e-15 8.509e-16 + Hto 7.222e-15 8.508e-16 I 2.154e-15 2.538e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.844e-17 5.707e-18 + Nat 4.843e-17 5.706e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.592e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.805e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -104018,37 +103472,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.051e-11 - CH4 2.051e-11 2.230e-11 -10.688 -10.652 0.036 35.46 +C(-4) 2.149e-11 + CH4 2.149e-11 2.337e-11 -10.668 -10.631 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.747e-11 - H2 8.733e-12 9.495e-12 -11.059 -11.023 0.036 28.61 -Hto 7.223e-15 - Hto 7.223e-15 7.223e-15 -14.141 -14.141 0.000 (0) + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.767e-11 + H2 8.836e-12 9.607e-12 -11.054 -11.017 0.036 28.61 +Hto 7.222e-15 + Hto 7.222e-15 7.222e-15 -14.141 -14.141 0.000 (0) I 2.154e-15 I- 2.154e-15 2.154e-15 -14.667 -14.667 -0.000 (0) K 1.540e-03 @@ -104060,22 +103514,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.844e-17 - Nat+ 4.844e-17 4.844e-17 -16.315 -16.315 -0.000 (0) +Nat 4.843e-17 + Nat+ 4.843e-17 4.843e-17 -16.315 -16.315 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.380 -70.344 0.036 30.40 -S(-2) 3.214e-08 - HS- 2.247e-08 1.479e-08 -7.648 -7.830 -0.182 21.14 - H2S 9.663e-09 1.051e-08 -8.015 -7.979 0.036 36.27 - S-2 9.127e-14 2.200e-14 -13.040 -13.658 -0.618 (0) - (H2S)2 5.350e-18 5.816e-18 -17.272 -17.235 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 +S(-2) 3.368e-08 + HS- 2.355e-08 1.551e-08 -7.628 -7.809 -0.182 21.14 + H2S 1.013e-08 1.101e-08 -7.995 -7.958 0.036 36.27 + S-2 9.567e-14 2.306e-14 -13.019 -13.637 -0.618 (0) + (H2S)2 5.876e-18 6.389e-18 -17.231 -17.195 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -104090,7 +103543,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -104102,21 +103555,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.34 -2.89 O2 + O2(g) -67.46 -70.35 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.11 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -104140,7 +103593,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.229e-11 Surface + diffuse layer charge, eq + -9.257e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -104150,7 +103603,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -104159,14 +103612,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6628e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 5.0340e-17 - I 1.2730e-29 + Hto 5.0331e-17 + I 1.2728e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.9321e-19 + Nat 9.9292e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -104185,33 +103638,33 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.266e-16 5.026e-17 + Hto 4.265e-16 5.025e-17 I 1.080e-16 1.273e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.690e-18 1.991e-19 + Nat 1.690e-18 1.990e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.157 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.751e-09 + Electrical balance (eq) = 1.404e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -104220,37 +103673,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.070e-11 - CH4 2.070e-11 2.250e-11 -10.684 -10.648 0.036 35.46 +C(-4) 2.168e-11 + CH4 2.168e-11 2.357e-11 -10.664 -10.628 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.751e-11 - H2 8.753e-12 9.516e-12 -11.058 -11.022 0.036 28.61 -Hto 4.266e-16 - Hto 4.266e-16 4.266e-16 -15.370 -15.370 0.000 (0) + HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) +H(0) 1.771e-11 + H2 8.855e-12 9.628e-12 -11.053 -11.016 0.036 28.61 +Hto 4.265e-16 + Hto 4.265e-16 4.265e-16 -15.370 -15.370 0.000 (0) I 1.080e-16 I- 1.080e-16 1.080e-16 -15.966 -15.966 -0.000 (0) K 1.540e-03 @@ -104262,22 +103715,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.690e-18 Nat+ 1.690e-18 1.690e-18 -17.772 -17.772 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.382 -70.346 0.036 30.40 -S(-2) 3.244e-08 - HS- 2.268e-08 1.493e-08 -7.644 -7.826 -0.182 21.14 - H2S 9.753e-09 1.060e-08 -8.011 -7.975 0.036 36.27 - S-2 9.212e-14 2.221e-14 -13.036 -13.654 -0.618 (0) - (H2S)2 5.449e-18 5.925e-18 -17.264 -17.227 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.392 -70.356 0.036 30.40 +S(-2) 3.398e-08 + HS- 2.376e-08 1.564e-08 -7.624 -7.806 -0.182 21.14 + H2S 1.022e-08 1.111e-08 -7.991 -7.954 0.036 36.27 + S-2 9.651e-14 2.326e-14 -13.015 -13.633 -0.618 (0) + (H2S)2 5.980e-18 6.502e-18 -17.223 -17.187 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -104292,7 +103744,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -104304,21 +103756,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.85 -10.65 -2.80 CH4 + CH4(g) -7.83 -10.63 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.92 -7.94 H2S + H2S(g) -6.96 -14.90 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.35 -2.89 O2 + O2(g) -67.46 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.99 -0.10 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -104342,7 +103794,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.242e-11 Surface + diffuse layer charge, eq + -9.270e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -104352,7 +103804,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -104361,14 +103813,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 2.5210e-18 - I 5.4099e-31 + Hto 2.5205e-18 + I 5.4090e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9306e-20 + Nat 2.9297e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -104387,31 +103839,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.136e-17 2.517e-18 + Hto 2.136e-17 2.516e-18 I 4.591e-18 5.408e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.987e-20 5.875e-21 + Nat 4.985e-20 5.873e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.158 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.673e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.802e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -104422,35 +103874,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.123e-11 - CH4 2.123e-11 2.308e-11 -10.673 -10.637 0.036 35.46 +C(-4) 2.222e-11 + CH4 2.222e-11 2.415e-11 -10.653 -10.617 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.762e-11 - H2 8.809e-12 9.577e-12 -11.055 -11.019 0.036 28.61 +H(0) 1.782e-11 + H2 8.909e-12 9.687e-12 -11.050 -11.014 0.036 28.61 Hto 2.136e-17 Hto 2.136e-17 2.136e-17 -16.670 -16.670 0.000 (0) I 4.591e-18 @@ -104470,16 +103922,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.987e-20 - Nat+ 4.987e-20 4.987e-20 -19.302 -19.302 -0.000 (0) +Nat 4.985e-20 + Nat+ 4.985e-20 4.985e-20 -19.302 -19.302 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.388 -70.351 0.036 30.40 -S(-2) 3.327e-08 - HS- 2.327e-08 1.532e-08 -7.633 -7.815 -0.182 21.14 - H2S 1.000e-08 1.088e-08 -8.000 -7.964 0.036 36.27 - S-2 9.450e-14 2.278e-14 -13.025 -13.642 -0.618 (0) - (H2S)2 5.733e-18 6.234e-18 -17.242 -17.205 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.397 -70.361 0.036 30.40 +S(-2) 3.482e-08 + HS- 2.435e-08 1.603e-08 -7.614 -7.795 -0.182 21.14 + H2S 1.047e-08 1.138e-08 -7.980 -7.944 0.036 36.27 + S-2 9.889e-14 2.384e-14 -13.005 -13.623 -0.618 (0) + (H2S)2 6.278e-18 6.825e-18 -17.202 -17.166 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -104495,7 +103946,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -104506,21 +103957,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.64 -2.80 CH4 + CH4(g) -7.82 -10.62 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.97 -14.91 -7.94 H2S + H2S(g) -6.95 -14.89 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.98 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -104544,7 +103995,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.251e-11 Surface + diffuse layer charge, eq + -9.279e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -104554,7 +104005,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -104563,14 +104014,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 1.0675e-19 - I 1.9419e-32 + Hto 1.0672e-19 + I 1.9416e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.2964e-22 + Nat 7.2938e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -104589,31 +104040,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.046e-19 1.066e-19 + Hto 9.044e-19 1.066e-19 I 1.648e-19 1.942e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.242e-21 1.463e-22 + Nat 1.241e-21 1.462e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.666e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.810e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -104624,37 +104075,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.144e-11 - CH4 2.144e-11 2.332e-11 -10.669 -10.632 0.036 35.46 +C(-4) 2.243e-11 + CH4 2.243e-11 2.439e-11 -10.649 -10.613 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.766e-11 - H2 8.831e-12 9.601e-12 -11.054 -11.018 0.036 28.61 -Hto 9.046e-19 - Hto 9.046e-19 9.046e-19 -18.044 -18.044 0.000 (0) +H(0) 1.786e-11 + H2 8.931e-12 9.710e-12 -11.049 -11.013 0.036 28.61 +Hto 9.044e-19 + Hto 9.044e-19 9.044e-19 -18.044 -18.044 0.000 (0) I 1.648e-19 I- 1.648e-19 1.648e-19 -18.783 -18.783 -0.000 (0) K 1.540e-03 @@ -104672,16 +104123,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.242e-21 - Nat+ 1.242e-21 1.242e-21 -20.906 -20.906 -0.000 (0) +Nat 1.241e-21 + Nat+ 1.241e-21 1.241e-21 -20.906 -20.906 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.353 0.036 30.40 -S(-2) 3.361e-08 - HS- 2.350e-08 1.547e-08 -7.629 -7.810 -0.182 21.14 - H2S 1.010e-08 1.099e-08 -7.995 -7.959 0.036 36.27 - S-2 9.545e-14 2.301e-14 -13.020 -13.638 -0.618 (0) - (H2S)2 5.850e-18 6.360e-18 -17.233 -17.197 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.363 0.036 30.40 +S(-2) 3.515e-08 + HS- 2.458e-08 1.618e-08 -7.609 -7.791 -0.182 21.14 + H2S 1.057e-08 1.149e-08 -7.976 -7.940 0.036 36.27 + S-2 9.984e-14 2.407e-14 -13.001 -13.619 -0.618 (0) + (H2S)2 6.400e-18 6.958e-18 -17.194 -17.158 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -104690,14 +104140,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -104708,21 +104158,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.95 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -104746,7 +104196,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.252e-11 Surface + diffuse layer charge, eq + -9.280e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -104756,7 +104206,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -104765,14 +104215,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 3.8017e-21 - I 5.8605e-34 + Hto 3.8008e-21 + I 5.8615e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5203e-23 + Nat 1.5197e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -104791,31 +104241,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.222e-20 3.796e-21 + Hto 3.221e-20 3.795e-21 I 4.974e-21 5.860e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.587e-23 3.048e-24 + Nat 2.586e-23 3.046e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.664e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.811e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -104828,18 +104278,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.149e-11 - CH4 2.149e-11 2.336e-11 -10.668 -10.632 0.036 35.46 +C(-4) 2.247e-11 + CH4 2.247e-11 2.443e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -104847,16 +104297,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.767e-11 - H2 8.835e-12 9.606e-12 -11.054 -11.017 0.036 28.61 -Hto 3.222e-20 - Hto 3.222e-20 3.222e-20 -19.492 -19.492 0.000 (0) +H(0) 1.787e-11 + H2 8.935e-12 9.714e-12 -11.049 -11.013 0.036 28.61 +Hto 3.221e-20 + Hto 3.221e-20 3.221e-20 -19.492 -19.492 0.000 (0) I 4.974e-21 I- 4.974e-21 4.974e-21 -20.303 -20.303 -0.000 (0) K 1.540e-03 @@ -104874,16 +104324,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.587e-23 - Nat+ 2.587e-23 2.587e-23 -22.587 -22.587 -0.000 (0) +Nat 2.586e-23 + Nat+ 2.586e-23 2.586e-23 -22.587 -22.587 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 -S(-2) 3.367e-08 - HS- 2.355e-08 1.550e-08 -7.628 -7.810 -0.182 21.14 - H2S 1.012e-08 1.101e-08 -7.995 -7.958 0.036 36.27 - S-2 9.563e-14 2.305e-14 -13.019 -13.637 -0.618 (0) - (H2S)2 5.872e-18 6.384e-18 -17.231 -17.195 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.522e-08 + HS- 2.463e-08 1.621e-08 -7.609 -7.790 -0.182 21.14 + H2S 1.059e-08 1.151e-08 -7.975 -7.939 0.036 36.27 + S-2 1.000e-13 2.411e-14 -13.000 -13.618 -0.618 (0) + (H2S)2 6.423e-18 6.983e-18 -17.192 -17.156 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -104892,14 +104341,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -104910,21 +104359,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -104948,7 +104397,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.252e-11 Surface + diffuse layer charge, eq + -9.280e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -104958,7 +104407,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -104967,14 +104416,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 1.1293e-22 + Hto 1.1291e-22 I 1.4682e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5236e-25 + Nat 1.5230e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -104993,31 +104442,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.571e-22 1.128e-22 + Hto 9.568e-22 1.127e-22 I 1.246e-22 1.468e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.593e-25 3.054e-26 + Nat 2.592e-25 3.053e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.663e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.811e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -105030,18 +104479,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.149e-11 - CH4 2.149e-11 2.336e-11 -10.668 -10.631 0.036 35.46 +C(-4) 2.248e-11 + CH4 2.248e-11 2.444e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -105049,16 +104498,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.767e-11 - H2 8.836e-12 9.606e-12 -11.054 -11.017 0.036 28.61 -Hto 9.571e-22 - Hto 9.571e-22 9.571e-22 -21.019 -21.019 0.000 (0) +H(0) 1.787e-11 + H2 8.935e-12 9.715e-12 -11.049 -11.013 0.036 28.61 +Hto 9.568e-22 + Hto 9.568e-22 9.568e-22 -21.019 -21.019 0.000 (0) I 1.246e-22 I- 1.246e-22 1.246e-22 -21.904 -21.904 -0.000 (0) K 1.540e-03 @@ -105076,16 +104525,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.593e-25 - Nat+ 2.593e-25 2.593e-25 -24.586 -24.586 -0.000 (0) +Nat 2.592e-25 + Nat+ 2.592e-25 2.592e-25 -24.586 -24.586 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 -S(-2) 3.368e-08 - HS- 2.355e-08 1.550e-08 -7.628 -7.810 -0.182 21.14 - H2S 1.013e-08 1.101e-08 -7.995 -7.958 0.036 36.27 - S-2 9.565e-14 2.306e-14 -13.019 -13.637 -0.618 (0) - (H2S)2 5.874e-18 6.387e-18 -17.231 -17.195 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.522e-08 + HS- 2.463e-08 1.622e-08 -7.609 -7.790 -0.182 21.14 + H2S 1.059e-08 1.151e-08 -7.975 -7.939 0.036 36.27 + S-2 1.000e-13 2.412e-14 -13.000 -13.618 -0.618 (0) + (H2S)2 6.425e-18 6.986e-18 -17.192 -17.156 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -105094,14 +104542,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -105112,21 +104560,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -105150,7 +104598,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.252e-11 Surface + diffuse layer charge, eq + -9.280e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -105160,7 +104608,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -105169,10 +104617,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 2.7320e-24 - I 2.2293e-37 + Hto 2.7313e-24 + I 2.2288e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -105194,7 +104642,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.315e-23 2.728e-24 + Hto 2.315e-23 2.727e-24 I 1.892e-24 2.229e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -105205,19 +104653,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.666e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.811e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -105230,18 +104678,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.149e-11 - CH4 2.149e-11 2.336e-11 -10.668 -10.631 0.036 35.46 +C(-4) 2.248e-11 + CH4 2.248e-11 2.444e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -105249,16 +104697,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.767e-11 - H2 8.836e-12 9.606e-12 -11.054 -11.017 0.036 28.61 +H(0) 1.787e-11 + H2 8.935e-12 9.715e-12 -11.049 -11.013 0.036 28.61 Hto 2.315e-23 - Hto 2.315e-23 2.315e-23 -22.635 -22.635 0.000 (0) + Hto 2.315e-23 2.315e-23 -22.636 -22.636 0.000 (0) I 1.892e-24 I- 1.892e-24 1.892e-24 -23.723 -23.723 -0.000 (0) K 1.540e-03 @@ -105276,14 +104724,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 -S(-2) 3.368e-08 - HS- 2.355e-08 1.550e-08 -7.628 -7.810 -0.182 21.14 - H2S 1.013e-08 1.101e-08 -7.995 -7.958 0.036 36.27 - S-2 9.565e-14 2.306e-14 -13.019 -13.637 -0.618 (0) - (H2S)2 5.874e-18 6.387e-18 -17.231 -17.195 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.522e-08 + HS- 2.463e-08 1.622e-08 -7.608 -7.790 -0.182 21.14 + H2S 1.059e-08 1.151e-08 -7.975 -7.939 0.036 36.27 + S-2 1.000e-13 2.412e-14 -13.000 -13.618 -0.618 (0) + (H2S)2 6.426e-18 6.986e-18 -17.192 -17.156 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -105292,14 +104739,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -105310,21 +104757,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -105348,7 +104795,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.252e-11 Surface + diffuse layer charge, eq + -9.281e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -105358,7 +104805,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -105367,7 +104814,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -105399,19 +104846,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.665e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.811e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -105424,18 +104871,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.149e-11 - CH4 2.149e-11 2.336e-11 -10.668 -10.631 0.036 35.46 +C(-4) 2.248e-11 + CH4 2.248e-11 2.444e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -105443,14 +104890,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.767e-11 - H2 8.836e-12 9.606e-12 -11.054 -11.017 0.036 28.61 +H(0) 1.787e-11 + H2 8.935e-12 9.715e-12 -11.049 -11.013 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -105466,14 +104913,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 -S(-2) 3.368e-08 - HS- 2.355e-08 1.550e-08 -7.628 -7.810 -0.182 21.14 - H2S 1.013e-08 1.101e-08 -7.995 -7.958 0.036 36.27 - S-2 9.565e-14 2.306e-14 -13.019 -13.637 -0.618 (0) - (H2S)2 5.874e-18 6.387e-18 -17.231 -17.195 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.522e-08 + HS- 2.463e-08 1.622e-08 -7.608 -7.790 -0.182 21.14 + H2S 1.059e-08 1.151e-08 -7.975 -7.939 0.036 36.27 + S-2 1.000e-13 2.412e-14 -13.000 -13.618 -0.618 (0) + (H2S)2 6.426e-18 6.986e-18 -17.192 -17.156 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -105482,14 +104928,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -105500,21 +104946,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -105538,7 +104984,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.252e-11 Surface + diffuse layer charge, eq + -9.280e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -105548,7 +104994,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -105557,7 +105003,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -105589,19 +105035,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.665e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.811e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -105614,18 +105060,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.149e-11 - CH4 2.149e-11 2.336e-11 -10.668 -10.631 0.036 35.46 +C(-4) 2.248e-11 + CH4 2.248e-11 2.444e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -105633,14 +105079,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.767e-11 - H2 8.836e-12 9.606e-12 -11.054 -11.017 0.036 28.61 +H(0) 1.787e-11 + H2 8.935e-12 9.715e-12 -11.049 -11.013 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -105656,14 +105102,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 -S(-2) 3.368e-08 - HS- 2.355e-08 1.550e-08 -7.628 -7.810 -0.182 21.14 - H2S 1.013e-08 1.101e-08 -7.995 -7.958 0.036 36.27 - S-2 9.566e-14 2.306e-14 -13.019 -13.637 -0.618 (0) - (H2S)2 5.875e-18 6.387e-18 -17.231 -17.195 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.522e-08 + HS- 2.463e-08 1.622e-08 -7.608 -7.790 -0.182 21.14 + H2S 1.059e-08 1.151e-08 -7.975 -7.939 0.036 36.27 + S-2 1.000e-13 2.412e-14 -13.000 -13.618 -0.618 (0) + (H2S)2 6.426e-18 6.986e-18 -17.192 -17.156 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -105672,14 +105117,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -105690,21 +105135,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -105728,7 +105173,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.252e-11 Surface + diffuse layer charge, eq + -9.280e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -105738,7 +105183,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -105747,7 +105192,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -105779,19 +105224,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.662e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.811e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -105804,18 +105249,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.149e-11 - CH4 2.149e-11 2.337e-11 -10.668 -10.631 0.036 35.46 +C(-4) 2.248e-11 + CH4 2.248e-11 2.444e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -105823,14 +105268,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.767e-11 - H2 8.836e-12 9.607e-12 -11.054 -11.017 0.036 28.61 +H(0) 1.787e-11 + H2 8.935e-12 9.715e-12 -11.049 -11.013 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -105846,14 +105291,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 -S(-2) 3.368e-08 - HS- 2.355e-08 1.550e-08 -7.628 -7.810 -0.182 21.14 - H2S 1.013e-08 1.101e-08 -7.995 -7.958 0.036 36.27 - S-2 9.566e-14 2.306e-14 -13.019 -13.637 -0.618 (0) - (H2S)2 5.875e-18 6.387e-18 -17.231 -17.195 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.522e-08 + HS- 2.463e-08 1.622e-08 -7.608 -7.790 -0.182 21.14 + H2S 1.059e-08 1.151e-08 -7.975 -7.939 0.036 36.27 + S-2 1.000e-13 2.412e-14 -13.000 -13.618 -0.618 (0) + (H2S)2 6.426e-18 6.986e-18 -17.192 -17.156 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -105862,14 +105306,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -105880,21 +105324,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -105924,18 +105368,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -105949,8 +105393,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -105974,8 +105418,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -105995,16 +105439,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -106031,21 +105474,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -106073,18 +105516,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -106098,8 +105541,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -106123,8 +105566,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -106144,16 +105587,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -106180,21 +105622,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -106231,18 +105673,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.977 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.971 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.945e-12 + Electrical balance (eq) = -8.885e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -106256,12 +105698,12 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.873e-13 - CH4 7.873e-13 8.560e-13 -12.104 -12.068 0.036 35.46 +C(-4) 7.108e-13 + CH4 7.108e-13 7.728e-13 -12.148 -12.112 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 @@ -106281,8 +105723,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 7.730e-12 - H2 3.865e-12 4.202e-12 -11.413 -11.377 0.036 28.61 +H(0) 7.535e-12 + H2 3.767e-12 4.096e-12 -11.424 -11.388 0.036 28.61 Hto 6.005e-07 Hto 6.005e-07 6.005e-07 -6.222 -6.222 0.000 (0) I 7.595e-07 @@ -106301,17 +105743,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 Nat 3.592e-07 Nat+ 3.592e-07 3.592e-07 -6.445 -6.445 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.672 -69.636 0.036 30.40 -S(-2) 1.234e-09 - HS- 8.629e-10 5.681e-10 -9.064 -9.246 -0.182 21.14 - H2S 3.713e-10 4.037e-10 -9.430 -9.394 0.036 36.27 - S-2 3.502e-15 8.442e-16 -14.456 -15.074 -0.618 (0) - (H2S)2 7.899e-21 8.588e-21 -20.102 -20.066 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.650 -69.614 0.036 30.40 +S(-2) 1.114e-09 + HS- 7.791e-10 5.129e-10 -9.108 -9.290 -0.182 21.14 + H2S 3.352e-10 3.645e-10 -9.475 -9.438 0.036 36.27 + S-2 3.162e-15 7.621e-16 -14.500 -15.118 -0.618 (0) + (H2S)2 6.439e-21 7.000e-21 -20.191 -20.155 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -106338,21 +105779,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.27 -12.07 -2.80 CH4 + CH4(g) -9.31 -12.11 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.28 -11.38 -3.10 H2 + H2(g) -8.29 -11.39 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.40 -16.34 -7.94 H2S + H2S(g) -8.44 -16.38 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.74 -69.64 -2.89 O2 + O2(g) -66.72 -69.61 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.05 -1.17 4.88 S + Sulfur -6.08 -1.20 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -106376,7 +105817,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.208e-14 Surface + diffuse layer charge, eq + -4.197e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -106386,7 +105827,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -106398,7 +105839,7 @@ Su Cl 4.6660e-10 H 1.2947e-04 Hto 5.7662e-08 - I 7.3771e-20 + I 7.3785e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -106433,18 +105874,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.063 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.061 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.950e-09 + Electrical balance (eq) = 1.682e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -106458,8 +105899,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.821e-12 - CH4 3.821e-12 4.155e-12 -11.418 -11.381 0.036 35.46 +C(-4) 3.711e-12 + CH4 3.711e-12 4.034e-12 -11.431 -11.394 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -106483,8 +105924,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.147e-11 - H2 5.737e-12 6.237e-12 -11.241 -11.205 0.036 28.61 +H(0) 1.139e-11 + H2 5.695e-12 6.192e-12 -11.245 -11.208 0.036 28.61 Hto 4.887e-07 Hto 4.887e-07 4.887e-07 -6.311 -6.311 0.000 (0) I 6.261e-07 @@ -106504,16 +105945,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.000e-07 Nat+ 3.000e-07 3.000e-07 -6.523 -6.523 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.015 -69.979 0.036 30.40 -S(-2) 5.990e-09 - HS- 4.188e-09 2.757e-09 -8.378 -8.560 -0.182 21.14 - H2S 1.802e-09 1.959e-09 -8.744 -8.708 0.036 36.27 - S-2 1.700e-14 4.098e-15 -13.770 -14.387 -0.618 (0) - (H2S)2 1.860e-19 2.023e-19 -18.730 -18.694 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.009 -69.972 0.036 30.40 +S(-2) 5.817e-09 + HS- 4.067e-09 2.677e-09 -8.391 -8.572 -0.182 21.14 + H2S 1.750e-09 1.903e-09 -8.757 -8.721 0.036 36.27 + S-2 1.651e-14 3.979e-15 -13.782 -14.400 -0.618 (0) + (H2S)2 1.754e-19 1.907e-19 -18.756 -18.720 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -106540,21 +105980,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.58 -11.38 -2.80 CH4 + CH4(g) -8.59 -11.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.10 -11.21 -3.10 H2 + H2(g) -8.11 -11.21 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.71 -15.65 -7.94 H2S + H2S(g) -7.73 -15.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.09 -69.98 -2.89 O2 + O2(g) -67.08 -69.97 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.53 -0.65 4.88 S + Sulfur -5.54 -0.66 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -106578,7 +106018,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.197e-11 Surface + diffuse layer charge, eq + -9.189e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -106588,7 +106028,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -106597,14 +106037,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6635e-10 + Cl 4.6636e-10 H 1.2948e-04 Hto 2.8336e-08 - I 3.2783e-20 + I 3.2776e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.9154e-08 + Nat 6.9153e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -106635,18 +106075,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.143 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.142 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.606e-10 + Electrical balance (eq) = 4.347e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -106660,8 +106100,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.679e-11 - CH4 1.679e-11 1.826e-11 -10.775 -10.739 0.036 35.46 +C(-4) 1.658e-11 + CH4 1.658e-11 1.803e-11 -10.780 -10.744 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -106685,8 +106125,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.661e-11 - H2 8.307e-12 9.032e-12 -11.081 -11.044 0.036 28.61 +H(0) 1.656e-11 + H2 8.281e-12 9.003e-12 -11.082 -11.046 0.036 28.61 Hto 2.401e-07 Hto 2.401e-07 2.401e-07 -6.620 -6.620 0.000 (0) I 2.782e-07 @@ -106706,16 +106146,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.177e-07 Nat+ 1.177e-07 1.177e-07 -6.929 -6.929 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.337 -70.300 0.036 30.40 -S(-2) 2.632e-08 - HS- 1.840e-08 1.212e-08 -7.735 -7.917 -0.182 21.14 - H2S 7.915e-09 8.605e-09 -8.102 -8.065 0.036 36.27 - S-2 7.474e-14 1.802e-14 -13.126 -13.744 -0.618 (0) - (H2S)2 3.589e-18 3.902e-18 -17.445 -17.409 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.334 -70.298 0.036 30.40 +S(-2) 2.599e-08 + HS- 1.817e-08 1.196e-08 -7.741 -7.922 -0.182 21.14 + H2S 7.815e-09 8.497e-09 -8.107 -8.071 0.036 36.27 + S-2 7.379e-14 1.779e-14 -13.132 -13.750 -0.618 (0) + (H2S)2 3.499e-18 3.804e-18 -17.456 -17.420 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -106747,16 +106186,16 @@ Sr 5.000e-04 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.94 -11.04 -3.10 H2 + H2(g) -7.94 -11.05 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.07 -15.01 -7.94 H2S + H2S(g) -7.08 -15.01 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.41 -70.30 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.05 -0.17 4.88 S + Sulfur -5.06 -0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -106780,7 +106219,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.316e-11 Surface + diffuse layer charge, eq + -9.319e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -106790,7 +106229,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -106799,14 +106238,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6628e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 1.0314e-08 + Hto 1.0313e-08 I 1.0566e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7698e-08 + Nat 1.7697e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -106830,26 +106269,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.012e-08 3.548e-09 + Nat 3.011e-08 3.548e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.156 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.632e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.740e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -106862,8 +106301,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.087e-11 - CH4 2.087e-11 2.269e-11 -10.680 -10.644 0.036 35.46 +C(-4) 2.118e-11 + CH4 2.118e-11 2.303e-11 -10.674 -10.638 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -106887,8 +106326,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.754e-11 - H2 8.771e-12 9.537e-12 -11.057 -11.021 0.036 28.61 +H(0) 1.761e-11 + H2 8.803e-12 9.571e-12 -11.055 -11.019 0.036 28.61 Hto 8.740e-08 Hto 8.740e-08 8.740e-08 -7.058 -7.058 0.000 (0) I 8.968e-08 @@ -106908,16 +106347,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.012e-08 - Nat+ 3.012e-08 3.012e-08 -7.521 -7.521 -0.000 (0) +Nat 3.011e-08 + Nat+ 3.011e-08 3.011e-08 -7.521 -7.521 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.384 -70.348 0.036 30.40 -S(-2) 3.271e-08 - HS- 2.287e-08 1.506e-08 -7.641 -7.822 -0.182 21.14 - H2S 9.835e-09 1.069e-08 -8.007 -7.971 0.036 36.27 - S-2 9.290e-14 2.239e-14 -13.032 -13.650 -0.618 (0) - (H2S)2 5.542e-18 6.025e-18 -17.256 -17.220 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.387 -70.351 0.036 30.40 +S(-2) 3.319e-08 + HS- 2.321e-08 1.528e-08 -7.634 -7.816 -0.182 21.14 + H2S 9.979e-09 1.085e-08 -8.001 -7.965 0.036 36.27 + S-2 9.426e-14 2.272e-14 -13.026 -13.644 -0.618 (0) + (H2S)2 5.705e-18 6.203e-18 -17.244 -17.207 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -106951,7 +106389,7 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.98 -14.91 -7.94 H2S + H2S(g) -6.97 -14.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -106982,7 +106420,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.309e-11 Surface + diffuse layer charge, eq + -9.330e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -106992,7 +106430,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -107001,14 +106439,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6626e-10 + Cl 4.6624e-10 H 1.2949e-04 - Hto 2.8833e-09 - I 2.5808e-21 + Hto 2.8832e-09 + I 2.5812e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2574e-09 + Nat 3.2571e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -107032,26 +106470,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.543e-09 6.530e-10 + Nat 5.542e-09 6.529e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.158 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.160 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.189e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.758e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -107064,10 +106502,10 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.210e-11 - CH4 2.210e-11 2.403e-11 -10.656 -10.619 0.036 35.46 +C(-4) 2.285e-11 + CH4 2.285e-11 2.484e-11 -10.641 -10.605 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 @@ -107075,7 +106513,7 @@ C(4) 2.744e-03 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -107085,12 +106523,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.780e-11 - H2 8.898e-12 9.674e-12 -11.051 -11.014 0.036 28.61 +H(0) 1.794e-11 + H2 8.972e-12 9.755e-12 -11.047 -11.011 0.036 28.61 Hto 2.443e-08 Hto 2.443e-08 2.443e-08 -7.612 -7.612 0.000 (0) I 2.190e-08 @@ -107110,16 +106548,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.543e-09 - Nat+ 5.543e-09 5.543e-09 -8.256 -8.256 -0.000 (0) +Nat 5.542e-09 + Nat+ 5.542e-09 5.542e-09 -8.256 -8.256 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.396 -70.360 0.036 30.40 -S(-2) 3.463e-08 - HS- 2.422e-08 1.594e-08 -7.616 -7.797 -0.182 21.14 - H2S 1.041e-08 1.132e-08 -7.982 -7.946 0.036 36.27 - S-2 9.837e-14 2.371e-14 -13.007 -13.625 -0.618 (0) - (H2S)2 6.212e-18 6.753e-18 -17.207 -17.170 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.404 -70.367 0.036 30.40 +S(-2) 3.581e-08 + HS- 2.504e-08 1.648e-08 -7.601 -7.783 -0.182 21.14 + H2S 1.077e-08 1.170e-08 -7.968 -7.932 0.036 36.27 + S-2 1.017e-13 2.452e-14 -12.993 -13.611 -0.618 (0) + (H2S)2 6.640e-18 7.219e-18 -17.178 -17.142 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -107128,8 +106565,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -107146,21 +106583,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.82 -10.62 -2.80 CH4 + CH4(g) -7.80 -10.60 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.95 -14.89 -7.94 H2S + H2S(g) -6.94 -14.87 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.47 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.95 -0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -107184,7 +106621,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.291e-11 Surface + diffuse layer charge, eq + -9.319e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -107194,7 +106631,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -107203,14 +106640,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 6.3788e-10 - I 4.9445e-22 + Hto 6.3784e-10 + I 4.9434e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5693e-10 + Nat 4.5689e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -107229,31 +106666,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.406e-09 6.368e-10 + Hto 5.405e-09 6.368e-10 I 4.196e-09 4.944e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.775e-10 9.160e-11 + Nat 7.774e-10 9.159e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.161 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.294e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.746e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -107266,18 +106703,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.241e-11 - CH4 2.241e-11 2.436e-11 -10.650 -10.613 0.036 35.46 +C(-4) 2.334e-11 + CH4 2.334e-11 2.538e-11 -10.632 -10.596 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -107285,16 +106722,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.786e-11 - H2 8.929e-12 9.708e-12 -11.049 -11.013 0.036 28.61 -Hto 5.406e-09 - Hto 5.406e-09 5.406e-09 -8.267 -8.267 0.000 (0) +H(0) 1.804e-11 + H2 9.020e-12 9.807e-12 -11.045 -11.008 0.036 28.61 +Hto 5.405e-09 + Hto 5.405e-09 5.405e-09 -8.267 -8.267 0.000 (0) I 4.196e-09 I- 4.196e-09 4.196e-09 -8.377 -8.377 -0.000 (0) K 1.540e-03 @@ -107312,16 +106749,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.775e-10 - Nat+ 7.775e-10 7.775e-10 -9.109 -9.109 -0.000 (0) +Nat 7.774e-10 + Nat+ 7.774e-10 7.774e-10 -9.109 -9.109 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.399 -70.363 0.036 30.40 -S(-2) 3.512e-08 - HS- 2.456e-08 1.617e-08 -7.610 -7.791 -0.182 21.14 - H2S 1.056e-08 1.148e-08 -7.976 -7.940 0.036 36.27 - S-2 9.975e-14 2.405e-14 -13.001 -13.619 -0.618 (0) - (H2S)2 6.388e-18 6.945e-18 -17.195 -17.158 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.408 -70.372 0.036 30.40 +S(-2) 3.658e-08 + HS- 2.558e-08 1.684e-08 -7.592 -7.774 -0.182 21.14 + H2S 1.100e-08 1.196e-08 -7.959 -7.922 0.036 36.27 + S-2 1.039e-13 2.505e-14 -12.983 -13.601 -0.618 (0) + (H2S)2 6.929e-18 7.533e-18 -17.159 -17.123 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -107330,8 +106766,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -107348,21 +106784,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.60 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.95 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.95 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -107386,7 +106822,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.284e-11 Surface + diffuse layer charge, eq + -9.311e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -107396,7 +106832,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -107405,14 +106841,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 1.1426e-10 - I 7.6243e-23 + Hto 1.1425e-10 + I 7.6230e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.0705e-11 + Nat 5.0698e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -107431,31 +106867,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.683e-10 1.141e-10 + Hto 9.682e-10 1.141e-10 I 6.470e-10 7.623e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.628e-11 1.016e-11 + Nat 8.627e-11 1.016e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.161 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.388e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.740e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -107468,18 +106904,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.242e-11 - CH4 2.242e-11 2.437e-11 -10.649 -10.613 0.036 35.46 +C(-4) 2.339e-11 + CH4 2.339e-11 2.543e-11 -10.631 -10.595 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -107487,16 +106923,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.786e-11 - H2 8.930e-12 9.709e-12 -11.049 -11.013 0.036 28.61 -Hto 9.683e-10 - Hto 9.683e-10 9.683e-10 -9.014 -9.014 0.000 (0) +H(0) 1.805e-11 + H2 9.025e-12 9.813e-12 -11.045 -11.008 0.036 28.61 +Hto 9.682e-10 + Hto 9.682e-10 9.682e-10 -9.014 -9.014 0.000 (0) I 6.470e-10 I- 6.470e-10 6.470e-10 -9.189 -9.189 -0.000 (0) K 1.540e-03 @@ -107514,16 +106950,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 8.628e-11 - Nat+ 8.628e-11 8.628e-11 -10.064 -10.064 -0.000 (0) +Nat 8.627e-11 + Nat+ 8.627e-11 8.627e-11 -10.064 -10.064 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.399 -70.363 0.036 30.40 -S(-2) 3.513e-08 - HS- 2.457e-08 1.617e-08 -7.610 -7.791 -0.182 21.14 - H2S 1.056e-08 1.148e-08 -7.976 -7.940 0.036 36.27 - S-2 9.979e-14 2.405e-14 -13.001 -13.619 -0.618 (0) - (H2S)2 6.392e-18 6.950e-18 -17.194 -17.158 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.409 -70.372 0.036 30.40 +S(-2) 3.666e-08 + HS- 2.564e-08 1.688e-08 -7.591 -7.773 -0.182 21.14 + H2S 1.102e-08 1.198e-08 -7.958 -7.921 0.036 36.27 + S-2 1.041e-13 2.510e-14 -12.982 -13.600 -0.618 (0) + (H2S)2 6.961e-18 7.568e-18 -17.157 -17.121 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -107532,8 +106967,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -107550,21 +106985,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.95 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.95 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -107588,7 +107023,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.278e-11 Surface + diffuse layer charge, eq + -9.306e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -107598,7 +107033,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -107607,14 +107042,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6626e-10 + Cl 4.6624e-10 H 1.2949e-04 - Hto 1.6859e-11 - I 9.6418e-24 + Hto 1.6857e-11 + I 9.6434e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5645e-12 + Nat 4.5638e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -107638,26 +107073,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.767e-12 9.150e-13 + Nat 7.766e-12 9.149e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.158 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.161 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.411e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.736e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -107670,10 +107105,10 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.221e-11 - CH4 2.221e-11 2.415e-11 -10.653 -10.617 0.036 35.46 +C(-4) 2.320e-11 + CH4 2.320e-11 2.522e-11 -10.635 -10.598 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 @@ -107681,7 +107116,7 @@ C(4) 2.744e-03 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -107691,12 +107126,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.782e-11 - H2 8.909e-12 9.686e-12 -11.050 -11.014 0.036 28.61 +H(0) 1.801e-11 + H2 9.006e-12 9.792e-12 -11.045 -11.009 0.036 28.61 Hto 1.429e-10 Hto 1.429e-10 1.429e-10 -9.845 -9.845 0.000 (0) I 8.184e-11 @@ -107716,16 +107151,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.767e-12 - Nat+ 7.767e-12 7.767e-12 -11.110 -11.110 -0.000 (0) +Nat 7.766e-12 + Nat+ 7.766e-12 7.766e-12 -11.110 -11.110 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.397 -70.361 0.036 30.40 -S(-2) 3.481e-08 - HS- 2.434e-08 1.602e-08 -7.614 -7.795 -0.182 21.14 - H2S 1.047e-08 1.138e-08 -7.980 -7.944 0.036 36.27 - S-2 9.887e-14 2.383e-14 -13.005 -13.623 -0.618 (0) - (H2S)2 6.275e-18 6.823e-18 -17.202 -17.166 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.407 -70.371 0.036 30.40 +S(-2) 3.635e-08 + HS- 2.542e-08 1.674e-08 -7.595 -7.776 -0.182 21.14 + H2S 1.093e-08 1.188e-08 -7.961 -7.925 0.036 36.27 + S-2 1.033e-13 2.489e-14 -12.986 -13.604 -0.618 (0) + (H2S)2 6.843e-18 7.440e-18 -17.165 -17.128 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -107734,8 +107168,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -107752,21 +107186,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.82 -10.62 -2.80 CH4 + CH4(g) -7.80 -10.60 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.95 -14.89 -7.94 H2S + H2S(g) -6.93 -14.87 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.95 -0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -107790,7 +107224,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.265e-11 Surface + diffuse layer charge, eq + -9.293e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -107800,7 +107234,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -107809,14 +107243,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6626e-10 + Cl 4.6624e-10 H 1.2949e-04 - Hto 2.0755e-12 - I 1.0148e-24 + Hto 2.0753e-12 + I 1.0146e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3925e-13 + Nat 3.3919e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -107840,28 +107274,28 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.773e-13 6.801e-14 + Nat 5.772e-13 6.800e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.160 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.889e-10 + Electrical balance (eq) = 2.395e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) - Total H = 1.307864e+01 + Total H = 1.307863e+01 Total O = 6.546049e+00 ----------------------------Distribution of species---------------------------- @@ -107872,18 +107306,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.181e-11 - CH4 2.181e-11 2.372e-11 -10.661 -10.625 0.036 35.46 +C(-4) 2.280e-11 + CH4 2.280e-11 2.479e-11 -10.642 -10.606 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -107891,14 +107325,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.774e-11 - H2 8.869e-12 9.643e-12 -11.052 -11.016 0.036 28.61 +H(0) 1.794e-11 + H2 8.968e-12 9.750e-12 -11.047 -11.011 0.036 28.61 Hto 1.759e-11 Hto 1.759e-11 1.759e-11 -10.755 -10.755 0.000 (0) I 8.612e-12 @@ -107918,16 +107352,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.773e-13 - Nat+ 5.773e-13 5.773e-13 -12.239 -12.239 -0.000 (0) +Nat 5.772e-13 + Nat+ 5.772e-13 5.772e-13 -12.239 -12.239 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.393 -70.357 0.036 30.40 -S(-2) 3.419e-08 - HS- 2.391e-08 1.574e-08 -7.621 -7.803 -0.182 21.14 - H2S 1.028e-08 1.118e-08 -7.988 -7.952 0.036 36.27 - S-2 9.710e-14 2.341e-14 -13.013 -13.631 -0.618 (0) - (H2S)2 6.053e-18 6.581e-18 -17.218 -17.182 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.403 -70.367 0.036 30.40 +S(-2) 3.573e-08 + HS- 2.499e-08 1.645e-08 -7.602 -7.784 -0.182 21.14 + H2S 1.074e-08 1.168e-08 -7.969 -7.933 0.036 36.27 + S-2 1.015e-13 2.447e-14 -12.994 -13.611 -0.618 (0) + (H2S)2 6.612e-18 7.189e-18 -17.180 -17.143 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -107936,14 +107369,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -107954,21 +107387,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.82 -10.62 -2.80 CH4 + CH4(g) -7.80 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.89 -7.94 H2S + H2S(g) -6.94 -14.87 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.36 -2.89 O2 + O2(g) -67.47 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.95 -0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -107992,7 +107425,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.256e-11 Surface + diffuse layer charge, eq + -9.284e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -108002,7 +107435,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -108011,14 +107444,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 2.1521e-13 - I 8.9728e-26 + Hto 2.1518e-13 + I 8.9741e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1077e-14 + Nat 2.1073e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -108037,30 +107470,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.824e-12 2.149e-13 + Hto 1.824e-12 2.148e-13 I 7.616e-13 8.972e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.587e-14 4.225e-15 + Nat 3.586e-14 4.224e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.373e-10 + Electrical balance (eq) = 2.899e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -108074,18 +107507,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.158e-11 - CH4 2.158e-11 2.346e-11 -10.666 -10.630 0.036 35.46 +C(-4) 2.257e-11 + CH4 2.257e-11 2.454e-11 -10.647 -10.610 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -108093,14 +107526,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.769e-11 - H2 8.845e-12 9.617e-12 -11.053 -11.017 0.036 28.61 +H(0) 1.789e-11 + H2 8.945e-12 9.725e-12 -11.048 -11.012 0.036 28.61 Hto 1.824e-12 Hto 1.824e-12 1.824e-12 -11.739 -11.739 0.000 (0) I 7.616e-13 @@ -108120,16 +107553,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.587e-14 - Nat+ 3.587e-14 3.587e-14 -13.445 -13.445 -0.000 (0) +Nat 3.586e-14 + Nat+ 3.586e-14 3.586e-14 -13.445 -13.445 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.391 -70.355 0.036 30.40 -S(-2) 3.382e-08 - HS- 2.365e-08 1.557e-08 -7.626 -7.808 -0.182 21.14 - H2S 1.017e-08 1.106e-08 -7.993 -7.956 0.036 36.27 - S-2 9.606e-14 2.316e-14 -13.017 -13.635 -0.618 (0) - (H2S)2 5.925e-18 6.442e-18 -17.227 -17.191 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.401 -70.365 0.036 30.40 +S(-2) 3.537e-08 + HS- 2.473e-08 1.628e-08 -7.607 -7.788 -0.182 21.14 + H2S 1.063e-08 1.156e-08 -7.973 -7.937 0.036 36.27 + S-2 1.005e-13 2.421e-14 -12.998 -13.616 -0.618 (0) + (H2S)2 6.478e-18 7.043e-18 -17.189 -17.152 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -108138,14 +107570,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -108156,21 +107588,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -108194,7 +107626,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.253e-11 Surface + diffuse layer charge, eq + -9.281e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -108204,7 +107636,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -108213,14 +107645,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 1.8921e-14 - I 6.7164e-27 + Hto 1.8919e-14 + I 6.7172e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1041e-15 + Nat 1.1038e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -108244,26 +107676,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.879e-15 2.213e-16 + Nat 1.878e-15 2.213e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.813e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.663e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -108276,18 +107708,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.151e-11 - CH4 2.151e-11 2.339e-11 -10.667 -10.631 0.036 35.46 +C(-4) 2.250e-11 + CH4 2.250e-11 2.446e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -108295,14 +107727,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.768e-11 - H2 8.838e-12 9.609e-12 -11.054 -11.017 0.036 28.61 +H(0) 1.788e-11 + H2 8.938e-12 9.717e-12 -11.049 -11.012 0.036 28.61 Hto 1.603e-13 Hto 1.603e-13 1.603e-13 -12.795 -12.795 0.000 (0) I 5.701e-14 @@ -108322,16 +107754,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.879e-15 - Nat+ 1.879e-15 1.879e-15 -14.726 -14.726 -0.000 (0) +Nat 1.878e-15 + Nat+ 1.878e-15 1.878e-15 -14.726 -14.726 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.390 -70.354 0.036 30.40 -S(-2) 3.371e-08 - HS- 2.358e-08 1.552e-08 -7.628 -7.809 -0.182 21.14 - H2S 1.014e-08 1.102e-08 -7.994 -7.958 0.036 36.27 - S-2 9.575e-14 2.308e-14 -13.019 -13.637 -0.618 (0) - (H2S)2 5.887e-18 6.400e-18 -17.230 -17.194 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.526e-08 + HS- 2.466e-08 1.623e-08 -7.608 -7.790 -0.182 21.14 + H2S 1.060e-08 1.153e-08 -7.975 -7.938 0.036 36.27 + S-2 1.001e-13 2.414e-14 -12.999 -13.617 -0.618 (0) + (H2S)2 6.438e-18 7.000e-18 -17.191 -17.155 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -108340,14 +107771,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -108358,21 +107789,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -108396,7 +107827,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.253e-11 Surface + diffuse layer charge, eq + -9.281e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -108406,7 +107837,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -108415,14 +107846,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 1.4167e-15 - I 4.2766e-28 + Hto 1.4165e-15 + I 4.2761e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9044e-17 + Nat 4.9031e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -108441,31 +107872,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.201e-14 1.414e-15 + Hto 1.200e-14 1.414e-15 I 3.629e-15 4.276e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.345e-17 9.832e-18 + Nat 8.343e-17 9.829e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.159 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.669e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.806e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -108478,18 +107909,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.153e-11 - CH4 2.153e-11 2.341e-11 -10.667 -10.631 0.036 35.46 +C(-4) 2.252e-11 + CH4 2.252e-11 2.449e-11 -10.647 -10.611 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -108497,16 +107928,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.768e-11 - H2 8.840e-12 9.611e-12 -11.054 -11.017 0.036 28.61 -Hto 1.201e-14 - Hto 1.201e-14 1.201e-14 -13.921 -13.921 0.000 (0) +H(0) 1.788e-11 + H2 8.940e-12 9.720e-12 -11.049 -11.012 0.036 28.61 +Hto 1.200e-14 + Hto 1.200e-14 1.200e-14 -13.921 -13.921 0.000 (0) I 3.629e-15 I- 3.629e-15 3.629e-15 -14.440 -14.440 -0.000 (0) K 1.540e-03 @@ -108524,16 +107955,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 8.345e-17 - Nat+ 8.345e-17 8.345e-17 -16.079 -16.079 -0.000 (0) +Nat 8.343e-17 + Nat+ 8.343e-17 8.343e-17 -16.079 -16.079 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.391 -70.354 0.036 30.40 -S(-2) 3.375e-08 - HS- 2.360e-08 1.554e-08 -7.627 -7.809 -0.182 21.14 - H2S 1.015e-08 1.103e-08 -7.994 -7.957 0.036 36.27 - S-2 9.585e-14 2.311e-14 -13.018 -13.636 -0.618 (0) - (H2S)2 5.899e-18 6.414e-18 -17.229 -17.193 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.529e-08 + HS- 2.468e-08 1.625e-08 -7.608 -7.789 -0.182 21.14 + H2S 1.061e-08 1.154e-08 -7.974 -7.938 0.036 36.27 + S-2 1.002e-13 2.416e-14 -12.999 -13.617 -0.618 (0) + (H2S)2 6.451e-18 7.014e-18 -17.190 -17.154 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -108542,14 +107972,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -108560,21 +107990,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.83 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.35 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -108598,7 +108028,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.258e-11 Surface + diffuse layer charge, eq + -9.286e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -108608,7 +108038,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -108617,14 +108047,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6627e-10 + Cl 4.6625e-10 H 1.2949e-04 - Hto 9.0541e-17 - I 2.3216e-29 + Hto 9.0525e-17 + I 2.3213e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8534e-18 + Nat 1.8529e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -108643,30 +108073,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.673e-16 9.039e-17 + Hto 7.672e-16 9.038e-17 I 1.970e-16 2.321e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.154e-18 3.715e-19 + Nat 3.153e-18 3.714e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.160 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.659e-09 + Electrical balance (eq) = 1.311e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -108680,18 +108110,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.173e-11 - CH4 2.173e-11 2.363e-11 -10.663 -10.627 0.036 35.46 +C(-4) 2.272e-11 + CH4 2.272e-11 2.470e-11 -10.644 -10.607 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -108699,16 +108129,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.772e-11 - H2 8.861e-12 9.633e-12 -11.053 -11.016 0.036 28.61 -Hto 7.673e-16 - Hto 7.673e-16 7.673e-16 -15.115 -15.115 0.000 (0) +H(0) 1.792e-11 + H2 8.959e-12 9.741e-12 -11.048 -11.011 0.036 28.61 +Hto 7.672e-16 + Hto 7.672e-16 7.672e-16 -15.115 -15.115 0.000 (0) I 1.970e-16 I- 1.970e-16 1.970e-16 -15.705 -15.705 -0.000 (0) K 1.540e-03 @@ -108726,16 +108156,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.154e-18 - Nat+ 3.154e-18 3.154e-18 -17.501 -17.501 -0.000 (0) +Nat 3.153e-18 + Nat+ 3.153e-18 3.153e-18 -17.501 -17.501 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.393 -70.356 0.036 30.40 -S(-2) 3.406e-08 - HS- 2.382e-08 1.568e-08 -7.623 -7.805 -0.182 21.14 - H2S 1.024e-08 1.113e-08 -7.990 -7.953 0.036 36.27 - S-2 9.673e-14 2.332e-14 -13.014 -13.632 -0.618 (0) - (H2S)2 6.008e-18 6.532e-18 -17.221 -17.185 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.402 -70.366 0.036 30.40 +S(-2) 3.560e-08 + HS- 2.490e-08 1.639e-08 -7.604 -7.785 -0.182 21.14 + H2S 1.070e-08 1.164e-08 -7.970 -7.934 0.036 36.27 + S-2 1.011e-13 2.438e-14 -12.995 -13.613 -0.618 (0) + (H2S)2 6.565e-18 7.137e-18 -17.183 -17.146 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -108744,14 +108173,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -108762,21 +108191,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.82 -10.63 -2.80 CH4 + CH4(g) -7.81 -10.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.90 -7.94 H2S + H2S(g) -6.94 -14.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.36 -2.89 O2 + O2(g) -67.47 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.95 -0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -108800,7 +108229,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.271e-11 Surface + diffuse layer charge, eq + -9.299e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -108810,7 +108239,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -108819,14 +108248,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6626e-10 + Cl 4.6624e-10 H 1.2949e-04 - Hto 4.9414e-18 - I 1.0751e-30 + Hto 4.9404e-18 + I 1.0752e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.9654e-20 + Nat 5.9635e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -108845,31 +108274,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.188e-17 4.933e-18 + Hto 4.187e-17 4.932e-18 I 9.126e-18 1.075e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.015e-19 1.196e-20 + Nat 1.015e-19 1.195e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.161 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.485e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.729e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -108882,10 +108311,10 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.224e-11 - CH4 2.224e-11 2.418e-11 -10.653 -10.617 0.036 35.46 +C(-4) 2.322e-11 + CH4 2.322e-11 2.525e-11 -10.634 -10.598 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 @@ -108893,7 +108322,7 @@ C(4) 2.744e-03 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -108903,14 +108332,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.782e-11 - H2 8.912e-12 9.689e-12 -11.050 -11.014 0.036 28.61 -Hto 4.188e-17 - Hto 4.188e-17 4.188e-17 -16.378 -16.378 0.000 (0) +H(0) 1.802e-11 + H2 9.009e-12 9.795e-12 -11.045 -11.009 0.036 28.61 +Hto 4.187e-17 + Hto 4.187e-17 4.187e-17 -16.378 -16.378 0.000 (0) I 9.126e-18 I- 9.126e-18 9.126e-18 -17.040 -17.040 -0.000 (0) K 1.540e-03 @@ -108928,16 +108357,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.015e-19 Nat+ 1.015e-19 1.015e-19 -18.994 -18.994 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.398 -70.361 0.036 30.40 -S(-2) 3.485e-08 - HS- 2.437e-08 1.604e-08 -7.613 -7.795 -0.182 21.14 - H2S 1.048e-08 1.139e-08 -7.980 -7.943 0.036 36.27 - S-2 9.898e-14 2.386e-14 -13.004 -13.622 -0.618 (0) - (H2S)2 6.289e-18 6.838e-18 -17.201 -17.165 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.407 -70.371 0.036 30.40 +S(-2) 3.639e-08 + HS- 2.545e-08 1.675e-08 -7.594 -7.776 -0.182 21.14 + H2S 1.094e-08 1.190e-08 -7.961 -7.925 0.036 36.27 + S-2 1.034e-13 2.492e-14 -12.986 -13.603 -0.618 (0) + (H2S)2 6.859e-18 7.457e-18 -17.164 -17.127 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -108946,8 +108374,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -108964,21 +108392,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.62 -2.80 CH4 + CH4(g) -7.80 -10.60 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.95 -14.89 -7.94 H2S + H2S(g) -6.93 -14.87 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.95 -0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -109002,7 +108430,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.280e-11 Surface + diffuse layer charge, eq + -9.308e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -109012,7 +108440,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -109021,14 +108449,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 2.2995e-19 - I 4.2437e-32 + Hto 2.2991e-19 + I 4.2443e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6337e-21 + Nat 1.6331e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -109047,31 +108475,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.949e-18 2.296e-19 + Hto 1.948e-18 2.295e-19 I 3.602e-19 4.244e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.780e-21 3.275e-22 + Nat 2.779e-21 3.274e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.161 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.413e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.738e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -109084,18 +108512,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.246e-11 - CH4 2.246e-11 2.442e-11 -10.649 -10.612 0.036 35.46 +C(-4) 2.344e-11 + CH4 2.344e-11 2.549e-11 -10.630 -10.594 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -109103,16 +108531,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.787e-11 - H2 8.934e-12 9.713e-12 -11.049 -11.013 0.036 28.61 -Hto 1.949e-18 - Hto 1.949e-18 1.949e-18 -17.710 -17.710 0.000 (0) +H(0) 1.806e-11 + H2 9.030e-12 9.818e-12 -11.044 -11.008 0.036 28.61 +Hto 1.948e-18 + Hto 1.948e-18 1.948e-18 -17.710 -17.710 0.000 (0) I 3.602e-19 I- 3.602e-19 3.602e-19 -18.443 -18.443 -0.000 (0) K 1.540e-03 @@ -109130,16 +108558,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.780e-21 - Nat+ 2.780e-21 2.780e-21 -20.556 -20.556 -0.000 (0) +Nat 2.779e-21 + Nat+ 2.779e-21 2.779e-21 -20.556 -20.556 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.400 -70.363 0.036 30.40 -S(-2) 3.519e-08 - HS- 2.461e-08 1.620e-08 -7.609 -7.790 -0.182 21.14 - H2S 1.058e-08 1.150e-08 -7.975 -7.939 0.036 36.27 - S-2 9.996e-14 2.410e-14 -13.000 -13.618 -0.618 (0) - (H2S)2 6.415e-18 6.974e-18 -17.193 -17.156 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.409 -70.373 0.036 30.40 +S(-2) 3.674e-08 + HS- 2.569e-08 1.691e-08 -7.590 -7.772 -0.182 21.14 + H2S 1.105e-08 1.201e-08 -7.957 -7.920 0.036 36.27 + S-2 1.044e-13 2.516e-14 -12.981 -13.599 -0.618 (0) + (H2S)2 6.990e-18 7.600e-18 -17.156 -17.119 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -109149,7 +108576,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -109166,21 +108593,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -109204,7 +108631,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.281e-11 Surface + diffuse layer charge, eq + -9.309e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -109214,7 +108641,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -109223,14 +108650,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 9.0928e-21 + Hto 9.0907e-21 I 1.4223e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.7896e-23 + Nat 3.7881e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -109249,31 +108676,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.706e-20 9.078e-21 + Hto 7.704e-20 9.076e-21 I 1.207e-20 1.422e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.448e-23 7.597e-24 + Nat 6.446e-23 7.594e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.385e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.739e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -109286,18 +108713,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.250e-11 - CH4 2.250e-11 2.447e-11 -10.648 -10.611 0.036 35.46 +C(-4) 2.349e-11 + CH4 2.349e-11 2.554e-11 -10.629 -10.593 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -109305,16 +108732,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.938e-12 9.718e-12 -11.049 -11.012 0.036 28.61 -Hto 7.706e-20 - Hto 7.706e-20 7.706e-20 -19.113 -19.113 0.000 (0) +H(0) 1.807e-11 + H2 9.035e-12 9.823e-12 -11.044 -11.008 0.036 28.61 +Hto 7.704e-20 + Hto 7.704e-20 7.704e-20 -19.113 -19.113 0.000 (0) I 1.207e-20 I- 1.207e-20 1.207e-20 -19.918 -19.918 -0.000 (0) K 1.540e-03 @@ -109332,16 +108759,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 6.448e-23 - Nat+ 6.448e-23 6.448e-23 -22.191 -22.191 -0.000 (0) +Nat 6.446e-23 + Nat+ 6.446e-23 6.446e-23 -22.191 -22.191 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 -S(-2) 3.527e-08 - HS- 2.466e-08 1.624e-08 -7.608 -7.790 -0.182 21.14 - H2S 1.060e-08 1.153e-08 -7.975 -7.938 0.036 36.27 - S-2 1.002e-13 2.415e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.442e-18 7.004e-18 -17.191 -17.155 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.373 0.036 30.40 +S(-2) 3.681e-08 + HS- 2.574e-08 1.695e-08 -7.589 -7.771 -0.182 21.14 + H2S 1.107e-08 1.203e-08 -7.956 -7.920 0.036 36.27 + S-2 1.046e-13 2.521e-14 -12.981 -13.599 -0.618 (0) + (H2S)2 7.018e-18 7.630e-18 -17.154 -17.117 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -109351,7 +108777,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -109368,21 +108794,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -109406,7 +108832,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.281e-11 Surface + diffuse layer charge, eq + -9.309e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -109416,7 +108842,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -109425,14 +108851,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 3.0370e-22 + Hto 3.0362e-22 I 4.0190e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3376e-25 + Nat 6.3350e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -109451,7 +108877,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.574e-21 3.032e-22 + Hto 2.573e-21 3.031e-22 I 3.411e-22 4.019e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -109463,19 +108889,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.376e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.739e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -109488,18 +108914,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.251e-11 - CH4 2.251e-11 2.447e-11 -10.648 -10.611 0.036 35.46 +C(-4) 2.350e-11 + CH4 2.350e-11 2.555e-11 -10.629 -10.593 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -109507,16 +108933,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.939e-12 9.719e-12 -11.049 -11.012 0.036 28.61 -Hto 2.574e-21 - Hto 2.574e-21 2.574e-21 -20.589 -20.589 0.000 (0) +H(0) 1.807e-11 + H2 9.035e-12 9.823e-12 -11.044 -11.008 0.036 28.61 +Hto 2.573e-21 + Hto 2.573e-21 2.573e-21 -20.590 -20.590 0.000 (0) I 3.411e-22 I- 3.411e-22 3.411e-22 -21.467 -21.467 -0.000 (0) K 1.540e-03 @@ -109534,16 +108960,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.078e-24 Nat+ 1.078e-24 1.078e-24 -23.967 -23.967 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 -S(-2) 3.528e-08 - HS- 2.467e-08 1.624e-08 -7.608 -7.789 -0.182 21.14 - H2S 1.061e-08 1.153e-08 -7.974 -7.938 0.036 36.27 - S-2 1.002e-13 2.415e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.445e-18 7.007e-18 -17.191 -17.154 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.373 0.036 30.40 +S(-2) 3.682e-08 + HS- 2.575e-08 1.695e-08 -7.589 -7.771 -0.182 21.14 + H2S 1.107e-08 1.204e-08 -7.956 -7.920 0.036 36.27 + S-2 1.046e-13 2.521e-14 -12.981 -13.598 -0.618 (0) + (H2S)2 7.021e-18 7.634e-18 -17.154 -17.117 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -109553,7 +108978,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -109570,21 +108995,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -109608,7 +109033,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.281e-11 Surface + diffuse layer charge, eq + -9.309e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -109618,7 +109043,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -109627,9 +109052,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 8.4610e-24 + Hto 8.4588e-24 I 8.7501e-37 K 8.9156e-04 Mg 4.6365e-02 @@ -109652,7 +109077,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.170e-23 8.447e-24 + Hto 7.168e-23 8.445e-24 I 7.426e-24 8.749e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -109663,19 +109088,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.412e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.739e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -109688,18 +109113,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.251e-11 - CH4 2.251e-11 2.447e-11 -10.648 -10.611 0.036 35.46 +C(-4) 2.350e-11 + CH4 2.350e-11 2.555e-11 -10.629 -10.593 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -109707,16 +109132,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.939e-12 9.719e-12 -11.049 -11.012 0.036 28.61 -Hto 7.170e-23 - Hto 7.170e-23 7.170e-23 -22.144 -22.144 0.000 (0) +H(0) 1.807e-11 + H2 9.035e-12 9.823e-12 -11.044 -11.008 0.036 28.61 +Hto 7.168e-23 + Hto 7.168e-23 7.168e-23 -22.145 -22.145 0.000 (0) I 7.426e-24 I- 7.426e-24 7.426e-24 -23.129 -23.129 -0.000 (0) K 1.540e-03 @@ -109734,14 +109159,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 -S(-2) 3.528e-08 - HS- 2.467e-08 1.624e-08 -7.608 -7.789 -0.182 21.14 - H2S 1.061e-08 1.153e-08 -7.974 -7.938 0.036 36.27 - S-2 1.002e-13 2.415e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.445e-18 7.007e-18 -17.191 -17.154 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.373 0.036 30.40 +S(-2) 3.682e-08 + HS- 2.575e-08 1.695e-08 -7.589 -7.771 -0.182 21.14 + H2S 1.107e-08 1.204e-08 -7.956 -7.920 0.036 36.27 + S-2 1.046e-13 2.521e-14 -12.980 -13.598 -0.618 (0) + (H2S)2 7.022e-18 7.634e-18 -17.154 -17.117 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -109751,7 +109175,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -109768,21 +109192,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -109806,7 +109230,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.281e-11 Surface + diffuse layer charge, eq + -9.309e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -109816,7 +109240,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -109825,9 +109249,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 1.4564e-25 + Hto 1.4560e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -109859,19 +109283,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.397e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.739e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -109884,18 +109308,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.251e-11 - CH4 2.251e-11 2.447e-11 -10.648 -10.611 0.036 35.46 +C(-4) 2.350e-11 + CH4 2.350e-11 2.555e-11 -10.629 -10.593 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -109903,14 +109327,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.939e-12 9.719e-12 -11.049 -11.012 0.036 28.61 +H(0) 1.807e-11 + H2 9.035e-12 9.823e-12 -11.044 -11.008 0.036 28.61 Hto 1.234e-24 Hto 1.234e-24 1.234e-24 -23.909 -23.909 0.000 (0) K 1.540e-03 @@ -109928,14 +109352,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 -S(-2) 3.528e-08 - HS- 2.467e-08 1.624e-08 -7.608 -7.789 -0.182 21.14 - H2S 1.061e-08 1.153e-08 -7.974 -7.938 0.036 36.27 - S-2 1.002e-13 2.415e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.445e-18 7.007e-18 -17.191 -17.154 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.373 0.036 30.40 +S(-2) 3.682e-08 + HS- 2.575e-08 1.695e-08 -7.589 -7.771 -0.182 21.14 + H2S 1.107e-08 1.204e-08 -7.956 -7.920 0.036 36.27 + S-2 1.046e-13 2.521e-14 -12.980 -13.598 -0.618 (0) + (H2S)2 7.022e-18 7.634e-18 -17.154 -17.117 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -109945,7 +109368,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -109962,21 +109385,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -110000,7 +109423,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.281e-11 Surface + diffuse layer charge, eq + -9.309e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -110010,7 +109433,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -110019,7 +109442,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -110051,19 +109474,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.402e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.739e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -110076,18 +109499,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.251e-11 - CH4 2.251e-11 2.447e-11 -10.648 -10.611 0.036 35.46 +C(-4) 2.350e-11 + CH4 2.350e-11 2.555e-11 -10.629 -10.593 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -110095,14 +109518,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.939e-12 9.719e-12 -11.049 -11.012 0.036 28.61 +H(0) 1.807e-11 + H2 9.035e-12 9.823e-12 -11.044 -11.008 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -110118,14 +109541,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 -S(-2) 3.528e-08 - HS- 2.467e-08 1.624e-08 -7.608 -7.789 -0.182 21.14 - H2S 1.061e-08 1.153e-08 -7.974 -7.938 0.036 36.27 - S-2 1.002e-13 2.415e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.445e-18 7.008e-18 -17.191 -17.154 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.373 0.036 30.40 +S(-2) 3.682e-08 + HS- 2.575e-08 1.695e-08 -7.589 -7.771 -0.182 21.14 + H2S 1.107e-08 1.204e-08 -7.956 -7.920 0.036 36.27 + S-2 1.046e-13 2.521e-14 -12.980 -13.598 -0.618 (0) + (H2S)2 7.022e-18 7.634e-18 -17.154 -17.117 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -110135,7 +109557,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -110152,21 +109574,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -110190,7 +109612,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.281e-11 Surface + diffuse layer charge, eq + -9.309e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -110200,7 +109622,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -110209,7 +109631,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -110241,19 +109663,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.370e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.739e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -110266,18 +109688,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.251e-11 - CH4 2.251e-11 2.447e-11 -10.648 -10.611 0.036 35.46 +C(-4) 2.350e-11 + CH4 2.350e-11 2.555e-11 -10.629 -10.593 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -110285,14 +109707,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.939e-12 9.719e-12 -11.049 -11.012 0.036 28.61 +H(0) 1.807e-11 + H2 9.035e-12 9.823e-12 -11.044 -11.008 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -110308,14 +109730,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 -S(-2) 3.528e-08 - HS- 2.467e-08 1.624e-08 -7.608 -7.789 -0.182 21.14 - H2S 1.061e-08 1.153e-08 -7.974 -7.938 0.036 36.27 - S-2 1.002e-13 2.415e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.446e-18 7.008e-18 -17.191 -17.154 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.373 0.036 30.40 +S(-2) 3.682e-08 + HS- 2.575e-08 1.695e-08 -7.589 -7.771 -0.182 21.14 + H2S 1.107e-08 1.204e-08 -7.956 -7.920 0.036 36.27 + S-2 1.046e-13 2.521e-14 -12.980 -13.598 -0.618 (0) + (H2S)2 7.022e-18 7.634e-18 -17.154 -17.117 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -110325,7 +109746,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -110342,21 +109763,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.93 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -110386,18 +109807,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -110411,8 +109832,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -110436,8 +109857,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -110457,16 +109878,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -110493,21 +109913,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -110535,18 +109955,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -110560,8 +109980,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -110585,8 +110005,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -110606,16 +110026,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -110642,21 +110061,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -110693,18 +110112,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.983 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.978 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.955e-12 + Electrical balance (eq) = -9.020e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -110718,12 +110137,12 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.832e-13 - CH4 8.832e-13 9.602e-13 -12.054 -12.018 0.036 35.46 +C(-4) 8.056e-13 + CH4 8.056e-13 8.759e-13 -12.094 -12.058 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 @@ -110743,8 +110162,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 7.955e-12 - H2 3.978e-12 4.325e-12 -11.400 -11.364 0.036 28.61 +H(0) 7.774e-12 + H2 3.887e-12 4.226e-12 -11.410 -11.374 0.036 28.61 Hto 5.948e-07 Hto 5.948e-07 5.948e-07 -6.226 -6.226 0.000 (0) I 7.556e-07 @@ -110763,17 +110182,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 Nat 3.538e-07 Nat+ 3.538e-07 3.538e-07 -6.451 -6.451 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.697 -69.661 0.036 30.40 -S(-2) 1.385e-09 - HS- 9.680e-10 6.372e-10 -9.014 -9.196 -0.182 21.14 - H2S 4.165e-10 4.529e-10 -9.380 -9.344 0.036 36.27 - S-2 3.928e-15 9.469e-16 -14.406 -15.024 -0.618 (0) - (H2S)2 9.940e-21 1.081e-20 -20.003 -19.966 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.677 -69.641 0.036 30.40 +S(-2) 1.263e-09 + HS- 8.830e-10 5.813e-10 -9.054 -9.236 -0.182 21.14 + H2S 3.799e-10 4.131e-10 -9.420 -9.384 0.036 36.27 + S-2 3.583e-15 8.637e-16 -14.446 -15.064 -0.618 (0) + (H2S)2 8.270e-21 8.992e-21 -20.082 -20.046 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -110800,21 +110218,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.22 -12.02 -2.80 CH4 + CH4(g) -9.26 -12.06 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.26 -11.36 -3.10 H2 + H2(g) -8.27 -11.37 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.35 -16.29 -7.94 H2S + H2S(g) -8.39 -16.33 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.77 -69.66 -2.89 O2 + O2(g) -66.75 -69.64 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -6.01 -1.13 4.88 S + Sulfur -6.04 -1.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -110838,7 +110256,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.236e-14 Surface + diffuse layer charge, eq + -4.291e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -110848,7 +110266,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -110888,25 +110306,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.979e-07 3.509e-08 + Nat 2.979e-07 3.510e-08 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.066 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.064 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.950e-09 + Electrical balance (eq) = 1.682e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -110920,11 +110338,11 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.040e-12 - CH4 4.040e-12 4.393e-12 -11.394 -11.357 0.036 35.46 +C(-4) 3.929e-12 + CH4 3.929e-12 4.271e-12 -11.406 -11.369 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -110933,7 +110351,7 @@ C(4) 2.744e-03 MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -110945,8 +110363,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.163e-11 - H2 5.817e-12 6.325e-12 -11.235 -11.199 0.036 28.61 +H(0) 1.155e-11 + H2 5.777e-12 6.281e-12 -11.238 -11.202 0.036 28.61 Hto 4.873e-07 Hto 4.873e-07 4.873e-07 -6.312 -6.312 0.000 (0) I 6.265e-07 @@ -110966,16 +110384,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.979e-07 Nat+ 2.979e-07 2.979e-07 -6.526 -6.526 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.027 -69.991 0.036 30.40 -S(-2) 6.334e-09 - HS- 4.428e-09 2.915e-09 -8.354 -8.535 -0.182 21.14 - H2S 1.905e-09 2.071e-09 -8.720 -8.684 0.036 36.27 - S-2 1.797e-14 4.332e-15 -13.745 -14.363 -0.618 (0) - (H2S)2 2.080e-19 2.261e-19 -18.682 -18.646 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.021 -69.985 0.036 30.40 +S(-2) 6.159e-09 + HS- 4.306e-09 2.835e-09 -8.366 -8.548 -0.182 21.14 + H2S 1.853e-09 2.014e-09 -8.732 -8.696 0.036 36.27 + S-2 1.748e-14 4.213e-15 -13.758 -14.375 -0.618 (0) + (H2S)2 1.966e-19 2.138e-19 -18.706 -18.670 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -110984,13 +110401,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -111002,21 +110419,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.56 -11.36 -2.80 CH4 + CH4(g) -8.57 -11.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.69 -15.63 -7.94 H2S + H2S(g) -7.70 -15.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -69.99 -2.89 O2 + O2(g) -67.09 -69.98 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.52 -0.63 4.88 S + Sulfur -5.53 -0.64 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -111040,7 +110457,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.216e-11 Surface + diffuse layer charge, eq + -9.208e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -111050,7 +110467,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -111060,13 +110477,13 @@ Su C 1.6144e-04 Ca 7.1884e-02 Cl 4.6634e-10 - H 1.2949e-04 + H 1.2948e-04 Hto 2.8939e-08 I 3.3636e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.0961e-08 + Nat 7.0959e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -111090,7 +110507,7 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.207e-07 1.423e-08 + Nat 1.207e-07 1.422e-08 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 @@ -111098,17 +110515,17 @@ Su pH = 7.090 Charge balance pe = -3.145 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.686e-10 + Electrical balance (eq) = 4.255e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -111122,8 +110539,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.746e-11 - CH4 1.746e-11 1.899e-11 -10.758 -10.722 0.036 35.46 +C(-4) 1.728e-11 + CH4 1.728e-11 1.879e-11 -10.762 -10.726 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -111135,7 +110552,7 @@ C(4) 2.744e-03 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -111147,8 +110564,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.678e-11 - H2 8.389e-12 9.121e-12 -11.076 -11.040 0.036 28.61 +H(0) 1.673e-11 + H2 8.367e-12 9.096e-12 -11.077 -11.041 0.036 28.61 Hto 2.452e-07 Hto 2.452e-07 2.452e-07 -6.610 -6.610 0.000 (0) I 2.855e-07 @@ -111163,21 +110580,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.629e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.126e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.897e-07 2.126e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.207e-07 Nat+ 1.207e-07 1.207e-07 -6.918 -6.918 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.345 -70.309 0.036 30.40 -S(-2) 2.737e-08 - HS- 1.914e-08 1.260e-08 -7.718 -7.900 -0.182 21.14 - H2S 8.230e-09 8.948e-09 -8.085 -8.048 0.036 36.27 - S-2 7.772e-14 1.874e-14 -13.109 -13.727 -0.618 (0) - (H2S)2 3.881e-18 4.219e-18 -17.411 -17.375 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.343 -70.307 0.036 30.40 +S(-2) 2.708e-08 + HS- 1.894e-08 1.247e-08 -7.723 -7.904 -0.182 21.14 + H2S 8.143e-09 8.854e-09 -8.089 -8.053 0.036 36.27 + S-2 7.690e-14 1.854e-14 -13.114 -13.732 -0.618 (0) + (H2S)2 3.799e-18 4.131e-18 -17.420 -17.384 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -111192,7 +110608,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.534e-08 7.103e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -111204,19 +110620,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.92 -10.72 -2.80 CH4 + CH4(g) -7.92 -10.73 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.05 -14.99 -7.94 H2S + H2S(g) -7.06 -14.99 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.31 -2.89 O2 + O2(g) -67.41 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.04 -0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -111242,7 +110658,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.344e-11 Surface + diffuse layer charge, eq + -9.347e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -111252,7 +110668,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -111264,11 +110680,11 @@ Su Cl 4.6626e-10 H 1.2949e-04 Hto 1.0878e-08 - I 1.1218e-20 + I 1.1217e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8899e-08 + Nat 1.8898e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -111292,25 +110708,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.216e-08 3.789e-09 + Nat 3.216e-08 3.788e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.158 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.683e-11 + Electrical balance (eq) = -3.672e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -111324,10 +110740,10 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.177e-11 - CH4 2.177e-11 2.366e-11 -10.662 -10.626 0.036 35.46 +C(-4) 2.207e-11 + CH4 2.207e-11 2.399e-11 -10.656 -10.620 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 @@ -111335,7 +110751,7 @@ C(4) 2.744e-03 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -111349,8 +110765,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.773e-11 - H2 8.864e-12 9.637e-12 -11.052 -11.016 0.036 28.61 +H(0) 1.779e-11 + H2 8.895e-12 9.671e-12 -11.051 -11.015 0.036 28.61 Hto 9.219e-08 Hto 9.219e-08 9.219e-08 -7.035 -7.035 0.000 (0) I 9.522e-08 @@ -111370,16 +110786,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 3.216e-08 Nat+ 3.216e-08 3.216e-08 -7.493 -7.493 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.393 -70.357 0.036 30.40 -S(-2) 3.411e-08 - HS- 2.385e-08 1.570e-08 -7.622 -7.804 -0.182 21.14 - H2S 1.026e-08 1.115e-08 -7.989 -7.953 0.036 36.27 - S-2 9.688e-14 2.335e-14 -13.014 -13.632 -0.618 (0) - (H2S)2 6.026e-18 6.552e-18 -17.220 -17.184 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.396 -70.360 0.036 30.40 +S(-2) 3.458e-08 + HS- 2.419e-08 1.592e-08 -7.616 -7.798 -0.182 21.14 + H2S 1.040e-08 1.131e-08 -7.983 -7.947 0.036 36.27 + S-2 9.823e-14 2.368e-14 -13.008 -13.626 -0.618 (0) + (H2S)2 6.195e-18 6.735e-18 -17.208 -17.172 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -111395,7 +110810,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -111406,21 +110821,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.82 -10.63 -2.80 CH4 + CH4(g) -7.82 -10.62 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.02 -3.10 H2 + H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.96 -14.89 -7.94 H2S + H2S(g) -6.95 -14.89 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.46 -70.36 -2.89 O2 + O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.09 4.88 S + Sulfur -4.96 -0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -111444,7 +110859,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.359e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -111454,7 +110869,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -111463,14 +110878,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6624e-10 + Cl 4.6622e-10 H 1.2949e-04 - Hto 3.1597e-09 - I 2.8513e-21 + Hto 3.1596e-09 + I 2.8509e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.6350e-09 + Nat 3.6348e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -111489,7 +110904,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.678e-08 3.155e-09 + Hto 2.678e-08 3.154e-09 I 2.420e-08 2.851e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -111501,18 +110916,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.120e-11 + Electrical balance (eq) = -3.691e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -111526,15 +110941,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.308e-11 - CH4 2.308e-11 2.509e-11 -10.637 -10.600 0.036 35.46 +C(-4) 2.382e-11 + CH4 2.382e-11 2.589e-11 -10.623 -10.587 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 @@ -111545,14 +110960,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.799e-11 - H2 8.995e-12 9.779e-12 -11.046 -11.010 0.036 28.61 +H(0) 1.813e-11 + H2 9.066e-12 9.857e-12 -11.043 -11.006 0.036 28.61 Hto 2.678e-08 Hto 2.678e-08 2.678e-08 -7.572 -7.572 0.000 (0) I 2.420e-08 @@ -111564,7 +110979,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -111572,16 +110987,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 6.185e-09 Nat+ 6.185e-09 6.185e-09 -8.209 -8.209 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.406 -70.369 0.036 30.40 -S(-2) 3.617e-08 - HS- 2.529e-08 1.665e-08 -7.597 -7.779 -0.182 21.14 - H2S 1.087e-08 1.182e-08 -7.964 -7.927 0.036 36.27 - S-2 1.027e-13 2.476e-14 -12.988 -13.606 -0.618 (0) - (H2S)2 6.774e-18 7.365e-18 -17.169 -17.133 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.413 -70.376 0.036 30.40 +S(-2) 3.732e-08 + HS- 2.610e-08 1.718e-08 -7.583 -7.765 -0.182 21.14 + H2S 1.122e-08 1.220e-08 -7.950 -7.914 0.036 36.27 + S-2 1.060e-13 2.556e-14 -12.975 -13.592 -0.618 (0) + (H2S)2 7.214e-18 7.844e-18 -17.142 -17.105 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -111608,21 +111022,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.80 -10.60 -2.80 CH4 + CH4(g) -7.78 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.93 -14.87 -7.94 H2S + H2S(g) -6.92 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.48 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.95 -0.07 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -111646,7 +111060,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.321e-11 Surface + diffuse layer charge, eq + -9.349e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -111656,7 +111070,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -111665,14 +111079,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6622e-10 H 1.2949e-04 - Hto 7.2966e-10 - I 5.7086e-22 + Hto 7.2962e-10 + I 5.7075e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3461e-10 + Nat 5.3456e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -111691,30 +111105,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.184e-09 7.285e-10 + Hto 6.183e-09 7.284e-10 I 4.845e-09 5.708e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.097e-10 1.072e-10 + Nat 9.096e-10 1.072e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.163 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.998e-11 + Electrical balance (eq) = -3.678e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -111728,35 +111142,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.342e-11 - CH4 2.342e-11 2.546e-11 -10.630 -10.594 0.036 35.46 +C(-4) 2.434e-11 + CH4 2.434e-11 2.647e-11 -10.614 -10.577 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.806e-11 - H2 9.028e-12 9.815e-12 -11.044 -11.008 0.036 28.61 -Hto 6.184e-09 - Hto 6.184e-09 6.184e-09 -8.209 -8.209 0.000 (0) +H(0) 1.823e-11 + H2 9.116e-12 9.911e-12 -11.040 -11.004 0.036 28.61 +Hto 6.183e-09 + Hto 6.183e-09 6.183e-09 -8.209 -8.209 0.000 (0) I 4.845e-09 I- 4.845e-09 4.845e-09 -8.315 -8.315 -0.000 (0) K 1.540e-03 @@ -111766,7 +111180,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -111774,16 +111188,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 9.097e-10 - Nat+ 9.097e-10 9.097e-10 -9.041 -9.041 -0.000 (0) +Nat 9.096e-10 + Nat+ 9.096e-10 9.096e-10 -9.041 -9.041 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.409 -70.373 0.036 30.40 -S(-2) 3.670e-08 - HS- 2.566e-08 1.689e-08 -7.591 -7.772 -0.182 21.14 - H2S 1.103e-08 1.200e-08 -7.957 -7.921 0.036 36.27 - S-2 1.042e-13 2.513e-14 -12.982 -13.600 -0.618 (0) - (H2S)2 6.974e-18 7.583e-18 -17.157 -17.120 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.417 -70.381 0.036 30.40 +S(-2) 3.815e-08 + HS- 2.668e-08 1.756e-08 -7.574 -7.755 -0.182 21.14 + H2S 1.147e-08 1.247e-08 -7.940 -7.904 0.036 36.27 + S-2 1.084e-13 2.612e-14 -12.965 -13.583 -0.618 (0) + (H2S)2 7.535e-18 8.193e-18 -17.123 -17.087 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -111798,7 +111211,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -111810,21 +111223,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.78 -10.58 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.93 -14.86 -7.94 H2S + H2S(g) -6.91 -14.85 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -111848,7 +111261,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.313e-11 Surface + diffuse layer charge, eq + -9.341e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -111858,7 +111271,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -111867,14 +111280,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6622e-10 H 1.2949e-04 - Hto 1.3698e-10 - I 9.2334e-23 + Hto 1.3697e-10 + I 9.2321e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2388e-11 + Nat 6.2380e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -111893,30 +111306,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.161e-09 1.368e-10 + Hto 1.161e-09 1.367e-10 I 7.837e-10 9.233e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.062e-10 1.251e-11 + Nat 1.061e-10 1.251e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.896e-11 + Electrical balance (eq) = -3.672e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -111930,33 +111343,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.343e-11 - CH4 2.343e-11 2.547e-11 -10.630 -10.594 0.036 35.46 +C(-4) 2.440e-11 + CH4 2.440e-11 2.653e-11 -10.613 -10.576 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.806e-11 - H2 9.029e-12 9.816e-12 -11.044 -11.008 0.036 28.61 +H(0) 1.824e-11 + H2 9.121e-12 9.917e-12 -11.040 -11.004 0.036 28.61 Hto 1.161e-09 Hto 1.161e-09 1.161e-09 -8.935 -8.935 0.000 (0) I 7.837e-10 @@ -111968,7 +111381,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -111976,16 +111389,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 1.062e-10 - Nat+ 1.062e-10 1.062e-10 -9.974 -9.974 -0.000 (0) +Nat 1.061e-10 + Nat+ 1.061e-10 1.061e-10 -9.974 -9.974 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.409 -70.373 0.036 30.40 -S(-2) 3.671e-08 - HS- 2.568e-08 1.690e-08 -7.590 -7.772 -0.182 21.14 - H2S 1.104e-08 1.200e-08 -7.957 -7.921 0.036 36.27 - S-2 1.043e-13 2.514e-14 -12.982 -13.600 -0.618 (0) - (H2S)2 6.981e-18 7.590e-18 -17.156 -17.120 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.418 -70.382 0.036 30.40 +S(-2) 3.824e-08 + HS- 2.674e-08 1.761e-08 -7.573 -7.754 -0.182 21.14 + H2S 1.150e-08 1.250e-08 -7.939 -7.903 0.036 36.27 + S-2 1.086e-13 2.619e-14 -12.964 -13.582 -0.618 (0) + (H2S)2 7.574e-18 8.234e-18 -17.121 -17.084 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -112000,7 +111412,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -112012,21 +111424,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.58 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.93 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -112050,7 +111462,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.307e-11 Surface + diffuse layer charge, eq + -9.335e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -112060,7 +111472,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -112069,14 +111481,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6624e-10 + Cl 4.6622e-10 H 1.2949e-04 - Hto 2.1263e-11 + Hto 2.1261e-11 I 1.2298e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.9245e-12 + Nat 5.9236e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -112100,25 +111512,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.008e-11 1.188e-12 + Nat 1.008e-11 1.187e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.163 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.867e-11 + Electrical balance (eq) = -3.667e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -112132,33 +111544,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.322e-11 - CH4 2.322e-11 2.525e-11 -10.634 -10.598 0.036 35.46 +C(-4) 2.421e-11 + CH4 2.421e-11 2.632e-11 -10.616 -10.580 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.802e-11 - H2 9.009e-12 9.795e-12 -11.045 -11.009 0.036 28.61 +H(0) 1.821e-11 + H2 9.103e-12 9.897e-12 -11.041 -11.004 0.036 28.61 Hto 1.802e-10 Hto 1.802e-10 1.802e-10 -9.744 -9.744 0.000 (0) I 1.044e-10 @@ -112170,7 +111582,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -112178,16 +111590,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.008e-11 - Nat+ 1.008e-11 1.008e-11 -10.996 -10.996 -0.000 (0) + Nat+ 1.008e-11 1.008e-11 -10.997 -10.997 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.407 -70.371 0.036 30.40 -S(-2) 3.639e-08 - HS- 2.545e-08 1.675e-08 -7.594 -7.776 -0.182 21.14 - H2S 1.094e-08 1.190e-08 -7.961 -7.925 0.036 36.27 - S-2 1.034e-13 2.492e-14 -12.986 -13.603 -0.618 (0) - (H2S)2 6.859e-18 7.458e-18 -17.164 -17.127 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.416 -70.380 0.036 30.40 +S(-2) 3.794e-08 + HS- 2.653e-08 1.747e-08 -7.576 -7.758 -0.182 21.14 + H2S 1.141e-08 1.240e-08 -7.943 -7.907 0.036 36.27 + S-2 1.078e-13 2.598e-14 -12.968 -13.585 -0.618 (0) + (H2S)2 7.453e-18 8.103e-18 -17.128 -17.091 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -112202,7 +111613,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -112214,21 +111625,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.80 -10.60 -2.80 CH4 + CH4(g) -7.78 -10.58 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.93 -14.87 -7.94 H2S + H2S(g) -6.91 -14.85 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.95 -0.07 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -112252,7 +111663,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.294e-11 Surface + diffuse layer charge, eq + -9.322e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -112262,7 +111673,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -112271,14 +111682,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6624e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 2.7644e-12 - I 1.3676e-24 + Hto 2.7641e-12 + I 1.3674e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6602e-13 + Nat 4.6594e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -112297,30 +111708,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.343e-11 2.760e-12 + Hto 2.342e-11 2.760e-12 I 1.161e-11 1.367e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.930e-13 9.342e-14 + Nat 7.928e-13 9.340e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.963e-10 + Electrical balance (eq) = 1.466e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -112334,15 +111745,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.284e-11 - CH4 2.284e-11 2.484e-11 -10.641 -10.605 0.036 35.46 +C(-4) 2.383e-11 + CH4 2.383e-11 2.591e-11 -10.623 -10.587 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 @@ -112353,16 +111764,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.794e-11 - H2 8.972e-12 9.754e-12 -11.047 -11.011 0.036 28.61 -Hto 2.343e-11 - Hto 2.343e-11 2.343e-11 -10.630 -10.630 0.000 (0) +H(0) 1.813e-11 + H2 9.067e-12 9.858e-12 -11.043 -11.006 0.036 28.61 +Hto 2.342e-11 + Hto 2.342e-11 2.342e-11 -10.630 -10.630 0.000 (0) I 1.161e-11 I- 1.161e-11 1.161e-11 -10.935 -10.935 -0.000 (0) K 1.540e-03 @@ -112380,16 +111791,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.930e-13 - Nat+ 7.930e-13 7.930e-13 -12.101 -12.101 -0.000 (0) +Nat 7.928e-13 + Nat+ 7.928e-13 7.928e-13 -12.101 -12.101 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.403 -70.367 0.036 30.40 -S(-2) 3.580e-08 - HS- 2.503e-08 1.648e-08 -7.601 -7.783 -0.182 21.14 - H2S 1.076e-08 1.170e-08 -7.968 -7.932 0.036 36.27 - S-2 1.017e-13 2.451e-14 -12.993 -13.611 -0.618 (0) - (H2S)2 6.637e-18 7.216e-18 -17.178 -17.142 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.413 -70.376 0.036 30.40 +S(-2) 3.734e-08 + HS- 2.611e-08 1.719e-08 -7.583 -7.765 -0.182 21.14 + H2S 1.123e-08 1.221e-08 -7.950 -7.913 0.036 36.27 + S-2 1.061e-13 2.557e-14 -12.974 -13.592 -0.618 (0) + (H2S)2 7.221e-18 7.851e-18 -17.141 -17.105 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -112399,7 +111809,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -112416,21 +111826,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.80 -10.60 -2.80 CH4 + CH4(g) -7.78 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.87 -7.94 H2S + H2S(g) -6.92 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.37 -2.89 O2 + O2(g) -67.48 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.95 -0.07 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -112454,7 +111864,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.285e-11 Surface + diffuse layer charge, eq + -9.313e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -112464,7 +111874,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -112473,14 +111883,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 3.0391e-13 + Hto 3.0388e-13 I 1.2829e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0753e-14 + Nat 3.0746e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -112499,30 +111909,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.576e-12 3.034e-13 + Hto 2.575e-12 3.034e-13 I 1.089e-12 1.283e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.233e-14 6.165e-15 + Nat 5.232e-14 6.164e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.448e-10 + Electrical balance (eq) = 1.970e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -112536,18 +111946,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.261e-11 - CH4 2.261e-11 2.458e-11 -10.646 -10.609 0.036 35.46 +C(-4) 2.360e-11 + CH4 2.360e-11 2.565e-11 -10.627 -10.591 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -112555,16 +111965,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.790e-11 - H2 8.949e-12 9.729e-12 -11.048 -11.012 0.036 28.61 -Hto 2.576e-12 - Hto 2.576e-12 2.576e-12 -11.589 -11.589 0.000 (0) +H(0) 1.809e-11 + H2 9.045e-12 9.834e-12 -11.044 -11.007 0.036 28.61 +Hto 2.575e-12 + Hto 2.575e-12 2.575e-12 -11.589 -11.589 0.000 (0) I 1.089e-12 I- 1.089e-12 1.089e-12 -11.963 -11.963 -0.000 (0) K 1.540e-03 @@ -112582,16 +111992,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.233e-14 - Nat+ 5.233e-14 5.233e-14 -13.281 -13.281 -0.000 (0) +Nat 5.232e-14 + Nat+ 5.232e-14 5.232e-14 -13.281 -13.281 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.401 -70.365 0.036 30.40 -S(-2) 3.543e-08 - HS- 2.478e-08 1.631e-08 -7.606 -7.787 -0.182 21.14 - H2S 1.065e-08 1.158e-08 -7.973 -7.936 0.036 36.27 - S-2 1.006e-13 2.426e-14 -12.997 -13.615 -0.618 (0) - (H2S)2 6.502e-18 7.069e-18 -17.187 -17.151 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.411 -70.374 0.036 30.40 +S(-2) 3.698e-08 + HS- 2.586e-08 1.702e-08 -7.587 -7.769 -0.182 21.14 + H2S 1.112e-08 1.209e-08 -7.954 -7.918 0.036 36.27 + S-2 1.050e-13 2.532e-14 -12.979 -13.597 -0.618 (0) + (H2S)2 7.081e-18 7.698e-18 -17.150 -17.114 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -112601,7 +112010,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -112618,21 +112027,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.92 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.07 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -112656,7 +112065,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.282e-11 Surface + diffuse layer charge, eq + -9.310e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -112666,7 +112075,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -112675,14 +112084,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 2.8452e-14 + Hto 2.8448e-14 I 1.0230e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7179e-15 + Nat 1.7175e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -112701,31 +112110,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.411e-13 2.841e-14 + Hto 2.411e-13 2.840e-14 I 8.683e-14 1.023e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.923e-15 3.444e-16 + Nat 2.923e-15 3.443e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.873e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.591e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -112738,18 +112147,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.254e-11 - CH4 2.254e-11 2.450e-11 -10.647 -10.611 0.036 35.46 +C(-4) 2.352e-11 + CH4 2.352e-11 2.557e-11 -10.629 -10.592 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -112757,14 +112166,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.941e-12 9.721e-12 -11.049 -11.012 0.036 28.61 +H(0) 1.808e-11 + H2 9.038e-12 9.826e-12 -11.044 -11.008 0.036 28.61 Hto 2.411e-13 Hto 2.411e-13 2.411e-13 -12.618 -12.618 0.000 (0) I 8.683e-14 @@ -112784,16 +112193,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 2.923e-15 Nat+ 2.923e-15 2.923e-15 -14.534 -14.534 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.401 -70.364 0.036 30.40 -S(-2) 3.532e-08 - HS- 2.470e-08 1.626e-08 -7.607 -7.789 -0.182 21.14 - H2S 1.062e-08 1.155e-08 -7.974 -7.938 0.036 36.27 - S-2 1.003e-13 2.418e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.460e-18 7.024e-18 -17.190 -17.153 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 +S(-2) 3.686e-08 + HS- 2.578e-08 1.697e-08 -7.589 -7.770 -0.182 21.14 + H2S 1.108e-08 1.205e-08 -7.955 -7.919 0.036 36.27 + S-2 1.047e-13 2.524e-14 -12.980 -13.598 -0.618 (0) + (H2S)2 7.037e-18 7.651e-18 -17.153 -17.116 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -112803,7 +112211,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -112820,21 +112228,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.92 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.08 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -112858,7 +112266,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.282e-11 Surface + diffuse layer charge, eq + -9.310e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -112868,7 +112276,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -112877,14 +112285,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 2.2791e-15 - I 6.9716e-28 + Hto 2.2788e-15 + I 6.9706e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.1745e-17 + Nat 8.1723e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -112908,26 +112316,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.391e-16 1.639e-17 + Nat 1.391e-16 1.638e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.440e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.734e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -112940,18 +112348,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.256e-11 - CH4 2.256e-11 2.453e-11 -10.647 -10.610 0.036 35.46 +C(-4) 2.355e-11 + CH4 2.355e-11 2.560e-11 -10.628 -10.592 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -112959,14 +112367,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.789e-11 - H2 8.944e-12 9.724e-12 -11.048 -11.012 0.036 28.61 +H(0) 1.808e-11 + H2 9.040e-12 9.829e-12 -11.044 -11.007 0.036 28.61 Hto 1.931e-14 Hto 1.931e-14 1.931e-14 -13.714 -13.714 0.000 (0) I 5.917e-15 @@ -112986,16 +112394,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.391e-16 Nat+ 1.391e-16 1.391e-16 -15.857 -15.857 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.401 -70.364 0.036 30.40 -S(-2) 3.536e-08 - HS- 2.473e-08 1.628e-08 -7.607 -7.788 -0.182 21.14 - H2S 1.063e-08 1.156e-08 -7.973 -7.937 0.036 36.27 - S-2 1.004e-13 2.421e-14 -12.998 -13.616 -0.618 (0) - (H2S)2 6.475e-18 7.040e-18 -17.189 -17.152 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 +S(-2) 3.690e-08 + HS- 2.581e-08 1.699e-08 -7.588 -7.770 -0.182 21.14 + H2S 1.110e-08 1.206e-08 -7.955 -7.919 0.036 36.27 + S-2 1.048e-13 2.527e-14 -12.980 -13.597 -0.618 (0) + (H2S)2 7.053e-18 7.668e-18 -17.152 -17.115 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -113005,7 +112412,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -113022,21 +112429,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.92 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.36 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.07 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -113060,7 +112467,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.288e-11 Surface + diffuse layer charge, eq + -9.316e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -113070,7 +112477,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -113079,14 +112486,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6623e-10 H 1.2949e-04 - Hto 1.5667e-16 - I 4.0719e-29 + Hto 1.5664e-16 + I 4.0725e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3263e-18 + Nat 3.3254e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -113105,30 +112512,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.328e-15 1.564e-16 + Hto 1.327e-15 1.564e-16 I 3.456e-16 4.072e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.660e-18 6.668e-19 + Nat 5.658e-18 6.666e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.162 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.566e-09 + Electrical balance (eq) = 1.219e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -113142,15 +112549,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.277e-11 - CH4 2.277e-11 2.475e-11 -10.643 -10.606 0.036 35.46 +C(-4) 2.375e-11 + CH4 2.375e-11 2.582e-11 -10.624 -10.588 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 @@ -113161,16 +112568,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.793e-11 - H2 8.964e-12 9.746e-12 -11.047 -11.011 0.036 28.61 -Hto 1.328e-15 - Hto 1.328e-15 1.328e-15 -14.877 -14.877 0.000 (0) +H(0) 1.812e-11 + H2 9.060e-12 9.850e-12 -11.043 -11.007 0.036 28.61 +Hto 1.327e-15 + Hto 1.327e-15 1.327e-15 -14.877 -14.877 0.000 (0) I 3.456e-16 I- 3.456e-16 3.456e-16 -15.461 -15.461 -0.000 (0) K 1.540e-03 @@ -113188,16 +112595,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.660e-18 - Nat+ 5.660e-18 5.660e-18 -17.247 -17.247 -0.000 (0) +Nat 5.658e-18 + Nat+ 5.658e-18 5.658e-18 -17.247 -17.247 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.403 -70.366 0.036 30.40 -S(-2) 3.568e-08 - HS- 2.495e-08 1.643e-08 -7.603 -7.784 -0.182 21.14 - H2S 1.073e-08 1.166e-08 -7.970 -7.933 0.036 36.27 - S-2 1.013e-13 2.443e-14 -12.994 -13.612 -0.618 (0) - (H2S)2 6.593e-18 7.168e-18 -17.181 -17.145 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.412 -70.376 0.036 30.40 +S(-2) 3.722e-08 + HS- 2.603e-08 1.714e-08 -7.585 -7.766 -0.182 21.14 + H2S 1.119e-08 1.217e-08 -7.951 -7.915 0.036 36.27 + S-2 1.057e-13 2.549e-14 -12.976 -13.594 -0.618 (0) + (H2S)2 7.175e-18 7.801e-18 -17.144 -17.108 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -113207,7 +112613,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -113224,21 +112630,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.80 -10.61 -2.80 CH4 + CH4(g) -7.79 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.87 -7.94 H2S + H2S(g) -6.92 -14.86 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.37 -2.89 O2 + O2(g) -67.48 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.95 -0.07 4.88 S + Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -113262,7 +112668,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.300e-11 Surface + diffuse layer charge, eq + -9.328e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -113272,7 +112678,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -113281,14 +112687,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6624e-10 + Cl 4.6622e-10 H 1.2949e-04 - Hto 9.2534e-18 + Hto 9.2516e-18 I 2.0419e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1597e-19 + Nat 1.1593e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -113307,30 +112713,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.842e-17 9.238e-18 + Hto 7.840e-17 9.237e-18 I 1.733e-17 2.042e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.973e-19 2.325e-20 + Nat 1.973e-19 2.324e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.163 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.786e-11 + Electrical balance (eq) = -3.659e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -113344,35 +112750,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.324e-11 - CH4 2.324e-11 2.527e-11 -10.634 -10.597 0.036 35.46 +C(-4) 2.423e-11 + CH4 2.423e-11 2.634e-11 -10.616 -10.579 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.802e-11 - H2 9.011e-12 9.797e-12 -11.045 -11.009 0.036 28.61 -Hto 7.842e-17 - Hto 7.842e-17 7.842e-17 -16.106 -16.106 0.000 (0) +H(0) 1.821e-11 + H2 9.105e-12 9.899e-12 -11.041 -11.004 0.036 28.61 +Hto 7.840e-17 + Hto 7.840e-17 7.840e-17 -16.106 -16.106 0.000 (0) I 1.733e-17 I- 1.733e-17 1.733e-17 -16.761 -16.761 -0.000 (0) K 1.540e-03 @@ -113382,7 +112788,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -113390,16 +112796,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.973e-19 Nat+ 1.973e-19 1.973e-19 -18.705 -18.705 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.407 -70.371 0.036 30.40 -S(-2) 3.643e-08 - HS- 2.547e-08 1.677e-08 -7.594 -7.775 -0.182 21.14 - H2S 1.095e-08 1.191e-08 -7.961 -7.924 0.036 36.27 - S-2 1.035e-13 2.494e-14 -12.985 -13.603 -0.618 (0) - (H2S)2 6.872e-18 7.471e-18 -17.163 -17.127 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.416 -70.380 0.036 30.40 +S(-2) 3.797e-08 + HS- 2.655e-08 1.748e-08 -7.576 -7.757 -0.182 21.14 + H2S 1.142e-08 1.241e-08 -7.942 -7.906 0.036 36.27 + S-2 1.079e-13 2.600e-14 -12.967 -13.585 -0.618 (0) + (H2S)2 7.467e-18 8.118e-18 -17.127 -17.091 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -113414,7 +112819,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -113426,21 +112831,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.80 -10.60 -2.80 CH4 + CH4(g) -7.78 -10.58 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.93 -14.87 -7.94 H2S + H2S(g) -6.91 -14.85 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.95 -0.07 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -113464,7 +112869,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.308e-11 Surface + diffuse layer charge, eq + -9.336e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -113474,7 +112879,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -113483,14 +112888,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 4.6934e-19 - I 8.7883e-32 + Hto 4.6924e-19 + I 8.7859e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.4644e-21 + Nat 3.4632e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -113509,30 +112914,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.977e-18 4.686e-19 + Hto 3.977e-18 4.685e-19 I 7.458e-19 8.786e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.895e-21 6.945e-22 + Nat 5.893e-21 6.942e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.866e-11 + Electrical balance (eq) = -3.669e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -113546,33 +112951,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.347e-11 - CH4 2.347e-11 2.552e-11 -10.629 -10.593 0.036 35.46 +C(-4) 2.446e-11 + CH4 2.446e-11 2.659e-11 -10.612 -10.575 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.807e-11 - H2 9.033e-12 9.821e-12 -11.044 -11.008 0.036 28.61 +H(0) 1.825e-11 + H2 9.126e-12 9.922e-12 -11.040 -11.003 0.036 28.61 Hto 3.977e-18 Hto 3.977e-18 3.977e-18 -17.400 -17.400 0.000 (0) I 7.458e-19 @@ -113584,7 +112989,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -113592,16 +112997,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 5.895e-21 - Nat+ 5.895e-21 5.895e-21 -20.230 -20.230 -0.000 (0) +Nat 5.893e-21 + Nat+ 5.893e-21 5.893e-21 -20.230 -20.230 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.409 -70.373 0.036 30.40 -S(-2) 3.678e-08 - HS- 2.572e-08 1.693e-08 -7.590 -7.771 -0.182 21.14 - H2S 1.106e-08 1.202e-08 -7.956 -7.920 0.036 36.27 - S-2 1.045e-13 2.518e-14 -12.981 -13.599 -0.618 (0) - (H2S)2 7.006e-18 7.617e-18 -17.155 -17.118 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.418 -70.382 0.036 30.40 +S(-2) 3.832e-08 + HS- 2.680e-08 1.764e-08 -7.572 -7.753 -0.182 21.14 + H2S 1.152e-08 1.253e-08 -7.938 -7.902 0.036 36.27 + S-2 1.089e-13 2.624e-14 -12.963 -13.581 -0.618 (0) + (H2S)2 7.606e-18 8.270e-18 -17.119 -17.083 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -113616,7 +113020,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -113628,21 +113032,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.58 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.93 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -113666,7 +113070,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.310e-11 Surface + diffuse layer charge, eq + -9.338e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -113676,7 +113080,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -113685,14 +113089,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 2.0398e-20 - I 3.2376e-33 + Hto 2.0393e-20 + I 3.2380e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.8462e-23 + Nat 8.8429e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -113711,7 +113115,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.729e-19 2.037e-20 + Hto 1.728e-19 2.036e-20 I 2.748e-20 3.238e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -113723,18 +113127,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.896e-11 + Electrical balance (eq) = -3.670e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -113748,35 +113152,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.352e-11 - CH4 2.352e-11 2.557e-11 -10.629 -10.592 0.036 35.46 +C(-4) 2.451e-11 + CH4 2.451e-11 2.665e-11 -10.611 -10.574 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.038e-12 9.826e-12 -11.044 -11.008 0.036 28.61 -Hto 1.729e-19 - Hto 1.729e-19 1.729e-19 -18.762 -18.762 0.000 (0) +H(0) 1.826e-11 + H2 9.131e-12 9.928e-12 -11.039 -11.003 0.036 28.61 +Hto 1.728e-19 + Hto 1.728e-19 1.728e-19 -18.762 -18.762 0.000 (0) I 2.748e-20 I- 2.748e-20 2.748e-20 -19.561 -19.561 -0.000 (0) K 1.540e-03 @@ -113786,7 +113190,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -113794,16 +113198,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.505e-22 - Nat+ 1.505e-22 1.505e-22 -21.822 -21.822 -0.000 (0) + Nat+ 1.505e-22 1.505e-22 -21.823 -21.823 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.686e-08 - HS- 2.578e-08 1.697e-08 -7.589 -7.770 -0.182 21.14 - H2S 1.108e-08 1.205e-08 -7.955 -7.919 0.036 36.27 - S-2 1.047e-13 2.524e-14 -12.980 -13.598 -0.618 (0) - (H2S)2 7.037e-18 7.651e-18 -17.153 -17.116 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.382 0.036 30.40 +S(-2) 3.841e-08 + HS- 2.686e-08 1.768e-08 -7.571 -7.752 -0.182 21.14 + H2S 1.155e-08 1.255e-08 -7.938 -7.901 0.036 36.27 + S-2 1.091e-13 2.630e-14 -12.962 -13.580 -0.618 (0) + (H2S)2 7.639e-18 8.306e-18 -17.117 -17.081 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -113818,7 +113221,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -113830,21 +113233,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -113868,7 +113271,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.310e-11 Surface + diffuse layer charge, eq + -9.338e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -113878,7 +113281,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -113887,14 +113290,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 7.5649e-22 - I 1.0172e-34 + Hto 7.5630e-22 + I 1.0170e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8222e-24 + Nat 1.8215e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -113913,30 +113316,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.411e-21 7.553e-22 + Hto 6.409e-21 7.551e-22 I 8.632e-22 1.017e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.101e-24 3.653e-25 + Nat 3.099e-24 3.651e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.906e-11 + Electrical balance (eq) = -3.670e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -113950,35 +113353,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.353e-11 - CH4 2.353e-11 2.558e-11 -10.628 -10.592 0.036 35.46 +C(-4) 2.452e-11 + CH4 2.452e-11 2.666e-11 -10.611 -10.574 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.039e-12 9.827e-12 -11.044 -11.008 0.036 28.61 -Hto 6.411e-21 - Hto 6.411e-21 6.411e-21 -20.193 -20.193 0.000 (0) +H(0) 1.826e-11 + H2 9.132e-12 9.928e-12 -11.039 -11.003 0.036 28.61 +Hto 6.409e-21 + Hto 6.409e-21 6.409e-21 -20.193 -20.193 0.000 (0) I 8.632e-22 I- 8.632e-22 8.632e-22 -21.064 -21.064 -0.000 (0) K 1.540e-03 @@ -113988,7 +113391,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -113996,16 +113399,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.101e-24 - Nat+ 3.101e-24 3.101e-24 -23.509 -23.509 -0.000 (0) +Nat 3.099e-24 + Nat+ 3.099e-24 3.099e-24 -23.509 -23.509 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.687e-08 - HS- 2.579e-08 1.698e-08 -7.589 -7.770 -0.182 21.14 - H2S 1.109e-08 1.205e-08 -7.955 -7.919 0.036 36.27 - S-2 1.047e-13 2.525e-14 -12.980 -13.598 -0.618 (0) - (H2S)2 7.042e-18 7.656e-18 -17.152 -17.116 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 +S(-2) 3.842e-08 + HS- 2.687e-08 1.769e-08 -7.571 -7.752 -0.182 21.14 + H2S 1.155e-08 1.256e-08 -7.937 -7.901 0.036 36.27 + S-2 1.091e-13 2.631e-14 -12.962 -13.580 -0.618 (0) + (H2S)2 7.644e-18 8.311e-18 -17.117 -17.080 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -114020,7 +113422,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -114032,21 +113434,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -114070,7 +113472,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.310e-11 Surface + diffuse layer charge, eq + -9.338e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -114080,7 +113482,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -114089,9 +113491,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 2.3756e-23 + Hto 2.3750e-23 I 2.6353e-36 K 8.9156e-04 Mg 4.6365e-02 @@ -114114,7 +113516,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.013e-22 2.372e-23 + Hto 2.013e-22 2.371e-23 I 2.237e-23 2.635e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -114125,18 +113527,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.869e-11 + Electrical balance (eq) = -3.670e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -114150,33 +113552,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.353e-11 - CH4 2.353e-11 2.558e-11 -10.628 -10.592 0.036 35.46 +C(-4) 2.452e-11 + CH4 2.452e-11 2.666e-11 -10.611 -10.574 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.039e-12 9.827e-12 -11.044 -11.008 0.036 28.61 +H(0) 1.826e-11 + H2 9.132e-12 9.929e-12 -11.039 -11.003 0.036 28.61 Hto 2.013e-22 Hto 2.013e-22 2.013e-22 -21.696 -21.696 0.000 (0) I 2.237e-23 @@ -114188,7 +113590,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -114196,14 +113598,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.688e-08 - HS- 2.579e-08 1.698e-08 -7.589 -7.770 -0.182 21.14 - H2S 1.109e-08 1.205e-08 -7.955 -7.919 0.036 36.27 - S-2 1.047e-13 2.525e-14 -12.980 -13.598 -0.618 (0) - (H2S)2 7.042e-18 7.656e-18 -17.152 -17.116 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 +S(-2) 3.842e-08 + HS- 2.687e-08 1.769e-08 -7.571 -7.752 -0.182 21.14 + H2S 1.155e-08 1.256e-08 -7.937 -7.901 0.036 36.27 + S-2 1.091e-13 2.631e-14 -12.962 -13.580 -0.618 (0) + (H2S)2 7.644e-18 8.311e-18 -17.117 -17.080 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -114218,7 +113619,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -114230,21 +113631,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -114268,7 +113669,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.310e-11 Surface + diffuse layer charge, eq + -9.338e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -114278,7 +113679,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -114287,9 +113688,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 5.8115e-25 + Hto 5.8099e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -114311,7 +113712,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.925e-24 5.802e-25 + Hto 4.924e-24 5.801e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -114321,18 +113722,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.884e-11 + Electrical balance (eq) = -3.670e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -114346,35 +113747,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.353e-11 - CH4 2.353e-11 2.558e-11 -10.628 -10.592 0.036 35.46 +C(-4) 2.452e-11 + CH4 2.452e-11 2.666e-11 -10.611 -10.574 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.039e-12 9.827e-12 -11.044 -11.008 0.036 28.61 -Hto 4.925e-24 - Hto 4.925e-24 4.925e-24 -23.308 -23.308 0.000 (0) +H(0) 1.826e-11 + H2 9.132e-12 9.929e-12 -11.039 -11.003 0.036 28.61 +Hto 4.924e-24 + Hto 4.924e-24 4.924e-24 -23.308 -23.308 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -114382,7 +113783,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -114390,14 +113791,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.688e-08 - HS- 2.579e-08 1.698e-08 -7.589 -7.770 -0.182 21.14 - H2S 1.109e-08 1.205e-08 -7.955 -7.919 0.036 36.27 - S-2 1.047e-13 2.525e-14 -12.980 -13.598 -0.618 (0) - (H2S)2 7.042e-18 7.656e-18 -17.152 -17.116 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 +S(-2) 3.842e-08 + HS- 2.687e-08 1.769e-08 -7.571 -7.752 -0.182 21.14 + H2S 1.155e-08 1.256e-08 -7.937 -7.901 0.036 36.27 + S-2 1.091e-13 2.631e-14 -12.962 -13.580 -0.618 (0) + (H2S)2 7.644e-18 8.311e-18 -17.117 -17.080 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -114412,7 +113812,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -114424,21 +113824,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -114462,7 +113862,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.310e-11 Surface + diffuse layer charge, eq + -9.338e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -114472,7 +113872,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -114481,7 +113881,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -114513,18 +113913,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.880e-11 + Electrical balance (eq) = -3.670e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -114538,33 +113938,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.353e-11 - CH4 2.353e-11 2.558e-11 -10.628 -10.592 0.036 35.46 +C(-4) 2.452e-11 + CH4 2.452e-11 2.666e-11 -10.611 -10.574 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.039e-12 9.827e-12 -11.044 -11.008 0.036 28.61 +H(0) 1.826e-11 + H2 9.132e-12 9.929e-12 -11.039 -11.003 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -114572,7 +113972,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -114580,14 +113980,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.688e-08 - HS- 2.579e-08 1.698e-08 -7.589 -7.770 -0.182 21.14 - H2S 1.109e-08 1.205e-08 -7.955 -7.919 0.036 36.27 - S-2 1.047e-13 2.525e-14 -12.980 -13.598 -0.618 (0) - (H2S)2 7.042e-18 7.657e-18 -17.152 -17.116 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 +S(-2) 3.842e-08 + HS- 2.687e-08 1.769e-08 -7.571 -7.752 -0.182 21.14 + H2S 1.155e-08 1.256e-08 -7.937 -7.901 0.036 36.27 + S-2 1.091e-13 2.631e-14 -12.962 -13.580 -0.618 (0) + (H2S)2 7.644e-18 8.311e-18 -17.117 -17.080 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -114602,7 +114001,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -114614,21 +114013,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -114652,7 +114051,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.310e-11 Surface + diffuse layer charge, eq + -9.338e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -114662,7 +114061,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -114671,7 +114070,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -114703,18 +114102,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.911e-11 + Electrical balance (eq) = -3.670e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -114728,33 +114127,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.353e-11 - CH4 2.353e-11 2.558e-11 -10.628 -10.592 0.036 35.46 +C(-4) 2.452e-11 + CH4 2.452e-11 2.666e-11 -10.611 -10.574 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.039e-12 9.827e-12 -11.044 -11.008 0.036 28.61 +H(0) 1.826e-11 + H2 9.132e-12 9.929e-12 -11.039 -11.003 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -114762,7 +114161,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -114770,14 +114169,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.688e-08 - HS- 2.579e-08 1.698e-08 -7.589 -7.770 -0.182 21.14 - H2S 1.109e-08 1.205e-08 -7.955 -7.919 0.036 36.27 - S-2 1.048e-13 2.525e-14 -12.980 -13.598 -0.618 (0) - (H2S)2 7.043e-18 7.657e-18 -17.152 -17.116 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 +S(-2) 3.842e-08 + HS- 2.687e-08 1.769e-08 -7.571 -7.752 -0.182 21.14 + H2S 1.155e-08 1.256e-08 -7.937 -7.901 0.036 36.27 + S-2 1.091e-13 2.631e-14 -12.962 -13.580 -0.618 (0) + (H2S)2 7.644e-18 8.311e-18 -17.117 -17.080 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -114792,7 +114190,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -114804,21 +114202,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -114848,18 +114246,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -114873,8 +114271,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -114898,8 +114296,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -114919,16 +114317,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -114955,21 +114352,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -114997,18 +114394,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -115022,8 +114419,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -115047,8 +114444,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -115068,16 +114465,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -115104,21 +114500,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -115155,18 +114551,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.989 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.984 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.964e-12 + Electrical balance (eq) = -9.131e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -115180,8 +114576,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.829e-13 - CH4 9.829e-13 1.069e-12 -12.007 -11.971 0.036 35.46 +C(-4) 9.043e-13 + CH4 9.043e-13 9.831e-13 -12.044 -12.007 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -115205,8 +114601,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.171e-12 - H2 4.085e-12 4.442e-12 -11.389 -11.352 0.036 28.61 +H(0) 8.002e-12 + H2 4.001e-12 4.350e-12 -11.398 -11.361 0.036 28.61 Hto 5.894e-07 Hto 5.894e-07 5.894e-07 -6.230 -6.230 0.000 (0) I 7.519e-07 @@ -115226,16 +114622,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.486e-07 Nat+ 3.486e-07 3.486e-07 -6.458 -6.458 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.720 -69.684 0.036 30.40 -S(-2) 1.541e-09 - HS- 1.077e-09 7.092e-10 -8.968 -9.149 -0.182 21.14 - H2S 4.636e-10 5.040e-10 -9.334 -9.298 0.036 36.27 - S-2 4.372e-15 1.054e-15 -14.359 -14.977 -0.618 (0) - (H2S)2 1.231e-20 1.339e-20 -19.910 -19.873 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.702 -69.666 0.036 30.40 +S(-2) 1.418e-09 + HS- 9.911e-10 6.525e-10 -9.004 -9.185 -0.182 21.14 + H2S 4.265e-10 4.637e-10 -9.370 -9.334 0.036 36.27 + S-2 4.022e-15 9.695e-16 -14.396 -15.013 -0.618 (0) + (H2S)2 1.042e-20 1.133e-20 -19.982 -19.946 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -115262,21 +114657,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.17 -11.97 -2.80 CH4 + CH4(g) -9.21 -12.01 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.25 -11.35 -3.10 H2 + H2(g) -8.26 -11.36 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.30 -16.24 -7.94 H2S + H2S(g) -8.34 -16.28 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.79 -69.68 -2.89 O2 + O2(g) -66.77 -69.67 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.98 -1.10 4.88 S + Sulfur -6.00 -1.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -115300,7 +114695,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.191e-14 Surface + diffuse layer charge, eq + -4.219e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -115310,7 +114705,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -115322,7 +114717,7 @@ Su Cl 4.6659e-10 H 1.2947e-04 Hto 5.7335e-08 - I 7.3811e-20 + I 7.3824e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -115357,18 +114752,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.069 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.067 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.950e-09 + Electrical balance (eq) = 1.682e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -115382,8 +114777,8 @@ Su OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.267e-12 - CH4 4.267e-12 4.639e-12 -11.370 -11.334 0.036 35.46 +C(-4) 4.155e-12 + CH4 4.155e-12 4.518e-12 -11.381 -11.345 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -115407,8 +114802,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.179e-11 - H2 5.897e-12 6.412e-12 -11.229 -11.193 0.036 28.61 +H(0) 1.172e-11 + H2 5.858e-12 6.369e-12 -11.232 -11.196 0.036 28.61 Hto 4.859e-07 Hto 4.859e-07 4.859e-07 -6.313 -6.313 0.000 (0) I 6.267e-07 @@ -115428,16 +114823,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.958e-07 Nat+ 2.958e-07 2.958e-07 -6.529 -6.529 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.039 -70.003 0.036 30.40 -S(-2) 6.688e-09 - HS- 4.676e-09 3.079e-09 -8.330 -8.512 -0.182 21.14 - H2S 2.012e-09 2.188e-09 -8.696 -8.660 0.036 36.27 - S-2 1.898e-14 4.575e-15 -13.722 -14.340 -0.618 (0) - (H2S)2 2.319e-19 2.522e-19 -18.635 -18.598 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.033 -69.997 0.036 30.40 +S(-2) 6.514e-09 + HS- 4.554e-09 2.998e-09 -8.342 -8.523 -0.182 21.14 + H2S 1.960e-09 2.130e-09 -8.708 -8.672 0.036 36.27 + S-2 1.848e-14 4.456e-15 -13.733 -14.351 -0.618 (0) + (H2S)2 2.200e-19 2.392e-19 -18.658 -18.621 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -115464,21 +114858,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.53 -11.33 -2.80 CH4 + CH4(g) -8.54 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.19 -3.10 H2 + H2(g) -8.09 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.67 -15.60 -7.94 H2S + H2S(g) -7.68 -15.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.11 -70.00 -2.89 O2 + O2(g) -67.10 -70.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.50 -0.62 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -115502,7 +114896,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.234e-11 Surface + diffuse layer charge, eq + -9.227e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -115512,7 +114906,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -115524,11 +114918,11 @@ Su Cl 4.6633e-10 H 1.2949e-04 Hto 2.9499e-08 - I 3.4457e-20 + I 3.4450e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.2649e-08 + Nat 7.2648e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -115560,17 +114954,17 @@ Su pH = 7.090 Charge balance pe = -3.147 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.764e-10 + Electrical balance (eq) = 4.163e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -115582,10 +114976,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.123e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.812e-11 - CH4 1.812e-11 1.971e-11 -10.742 -10.705 0.036 35.46 +C(-4) 1.796e-11 + CH4 1.796e-11 1.953e-11 -10.746 -10.709 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -115609,8 +115003,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.693e-11 - H2 8.467e-12 9.206e-12 -11.072 -11.036 0.036 28.61 +H(0) 1.690e-11 + H2 8.448e-12 9.185e-12 -11.073 -11.037 0.036 28.61 Hto 2.500e-07 Hto 2.500e-07 2.500e-07 -6.602 -6.602 0.000 (0) I 2.924e-07 @@ -115630,16 +115024,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.236e-07 Nat+ 1.236e-07 1.236e-07 -6.908 -6.908 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.353 -70.317 0.036 30.40 -S(-2) 2.840e-08 - HS- 1.986e-08 1.308e-08 -7.702 -7.884 -0.182 21.14 - H2S 8.541e-09 9.286e-09 -8.068 -8.032 0.036 36.27 - S-2 8.066e-14 1.944e-14 -13.093 -13.711 -0.618 (0) - (H2S)2 4.180e-18 4.544e-18 -17.379 -17.343 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.351 -70.315 0.036 30.40 +S(-2) 2.815e-08 + HS- 1.969e-08 1.296e-08 -7.706 -7.887 -0.182 21.14 + H2S 8.466e-09 9.205e-09 -8.072 -8.036 0.036 36.27 + S-2 7.995e-14 1.927e-14 -13.097 -13.715 -0.618 (0) + (H2S)2 4.106e-18 4.465e-18 -17.387 -17.350 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -115666,19 +115059,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.90 -10.71 -2.80 CH4 + CH4(g) -7.91 -10.71 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.93 -11.04 -3.10 H2 + H2(g) -7.94 -11.04 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.04 -14.97 -7.94 H2S + H2S(g) -7.04 -14.98 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.42 -70.32 -2.89 O2 + O2(g) -67.42 -70.31 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.03 -0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -115704,7 +115097,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.372e-11 Surface + diffuse layer charge, eq + -9.375e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -115714,7 +115107,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -115725,12 +115118,12 @@ Su Ca 7.1884e-02 Cl 4.6624e-10 H 1.2949e-04 - Hto 1.1430e-08 + Hto 1.1429e-08 I 1.1862e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0093e-08 + Nat 2.0092e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -115762,17 +115155,17 @@ Su pH = 7.090 Charge balance pe = -3.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.103e-10 + Electrical balance (eq) = -4.607e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -115786,13 +115179,13 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.265e-11 - CH4 2.265e-11 2.463e-11 -10.645 -10.609 0.036 35.46 +C(-4) 2.295e-11 + CH4 2.295e-11 2.496e-11 -10.639 -10.603 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) @@ -115807,12 +115200,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.791e-11 - H2 8.953e-12 9.734e-12 -11.048 -11.012 0.036 28.61 +H(0) 1.797e-11 + H2 8.983e-12 9.766e-12 -11.047 -11.010 0.036 28.61 Hto 9.686e-08 Hto 9.686e-08 9.686e-08 -7.014 -7.014 0.000 (0) I 1.007e-07 @@ -115824,7 +115217,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -115832,16 +115225,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 3.419e-08 Nat+ 3.419e-08 3.419e-08 -7.466 -7.466 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.402 -70.365 0.036 30.40 -S(-2) 3.550e-08 - HS- 2.483e-08 1.634e-08 -7.605 -7.787 -0.182 21.14 - H2S 1.067e-08 1.160e-08 -7.972 -7.935 0.036 36.27 - S-2 1.008e-13 2.431e-14 -12.996 -13.614 -0.618 (0) - (H2S)2 6.527e-18 7.097e-18 -17.185 -17.149 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.405 -70.368 0.036 30.40 +S(-2) 3.597e-08 + HS- 2.516e-08 1.656e-08 -7.599 -7.781 -0.182 21.14 + H2S 1.082e-08 1.176e-08 -7.966 -7.930 0.036 36.27 + S-2 1.022e-13 2.463e-14 -12.991 -13.609 -0.618 (0) + (H2S)2 6.701e-18 7.286e-18 -17.174 -17.138 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -115851,7 +115243,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -115868,21 +115260,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.81 -10.61 -2.80 CH4 + CH4(g) -7.80 -10.60 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.94 -14.88 -7.94 H2S + H2S(g) -6.94 -14.87 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.47 -70.37 -2.89 O2 + O2(g) -67.48 -70.37 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.96 -0.07 4.88 S + Sulfur -4.95 -0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -115906,7 +115298,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.389e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -115916,7 +115308,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -115925,14 +115317,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6622e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 3.4416e-09 + Hto 3.4415e-09 I 3.1301e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.0297e-09 + Nat 4.0294e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -115963,18 +115355,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.163 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.146e-10 + Electrical balance (eq) = -4.627e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -115986,35 +115378,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.406e-11 - CH4 2.406e-11 2.615e-11 -10.619 -10.582 0.036 35.46 +C(-4) 2.478e-11 + CH4 2.478e-11 2.695e-11 -10.606 -10.570 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.818e-11 - H2 9.089e-12 9.881e-12 -11.042 -11.005 0.036 28.61 +H(0) 1.831e-11 + H2 9.157e-12 9.955e-12 -11.038 -11.002 0.036 28.61 Hto 2.917e-08 Hto 2.917e-08 2.917e-08 -7.535 -7.535 0.000 (0) I 2.656e-08 @@ -116034,16 +115426,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 6.857e-09 Nat+ 6.857e-09 6.857e-09 -8.164 -8.164 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.415 -70.378 0.036 30.40 -S(-2) 3.770e-08 - HS- 2.636e-08 1.736e-08 -7.579 -7.761 -0.182 21.14 - H2S 1.133e-08 1.232e-08 -7.946 -7.909 0.036 36.27 - S-2 1.071e-13 2.581e-14 -12.970 -13.588 -0.618 (0) - (H2S)2 7.360e-18 8.002e-18 -17.133 -17.097 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.421 -70.385 0.036 30.40 +S(-2) 3.884e-08 + HS- 2.716e-08 1.788e-08 -7.566 -7.748 -0.182 21.14 + H2S 1.168e-08 1.269e-08 -7.933 -7.896 0.036 36.27 + S-2 1.103e-13 2.659e-14 -12.957 -13.575 -0.618 (0) + (H2S)2 7.811e-18 8.492e-18 -17.107 -17.071 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -116058,7 +115449,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -116070,21 +115461,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.78 -10.58 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.85 -7.94 H2S + H2S(g) -6.90 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.05 4.88 S + Sulfur -4.93 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -116108,7 +115499,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.351e-11 Surface + diffuse layer charge, eq + -9.379e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -116118,7 +115509,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -116127,14 +115518,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6622e-10 + Cl 4.6620e-10 H 1.2949e-04 - Hto 8.2761e-10 + Hto 8.2757e-10 I 6.5337e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.1989e-10 + Nat 6.1983e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -116153,7 +115544,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.014e-09 8.263e-10 + Hto 7.013e-09 8.262e-10 I 5.545e-09 6.533e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -116165,18 +115556,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.132e-10 + Electrical balance (eq) = -4.613e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -116188,10 +115579,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.442e-11 - CH4 2.442e-11 2.655e-11 -10.612 -10.576 0.036 35.46 +C(-4) 2.534e-11 + CH4 2.534e-11 2.755e-11 -10.596 -10.560 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -116200,10 +115591,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -116215,10 +115606,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.825e-11 - H2 9.123e-12 9.919e-12 -11.040 -11.004 0.036 28.61 -Hto 7.014e-09 - Hto 7.014e-09 7.014e-09 -8.154 -8.154 0.000 (0) +H(0) 1.842e-11 + H2 9.208e-12 1.001e-11 -11.036 -11.000 0.036 28.61 +Hto 7.013e-09 + Hto 7.013e-09 7.013e-09 -8.154 -8.154 0.000 (0) I 5.545e-09 I- 5.545e-09 5.545e-09 -8.256 -8.256 -0.000 (0) K 1.540e-03 @@ -116230,22 +115621,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.055e-09 Nat+ 1.055e-09 1.055e-09 -8.977 -8.977 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.418 -70.382 0.036 30.40 -S(-2) 3.827e-08 - HS- 2.677e-08 1.762e-08 -7.572 -7.754 -0.182 21.14 - H2S 1.151e-08 1.251e-08 -7.939 -7.903 0.036 36.27 - S-2 1.087e-13 2.621e-14 -12.964 -13.582 -0.618 (0) - (H2S)2 7.586e-18 8.247e-18 -17.120 -17.084 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.426 -70.390 0.036 30.40 +S(-2) 3.971e-08 + HS- 2.777e-08 1.828e-08 -7.556 -7.738 -0.182 21.14 + H2S 1.194e-08 1.298e-08 -7.923 -7.887 0.036 36.27 + S-2 1.128e-13 2.719e-14 -12.948 -13.566 -0.618 (0) + (H2S)2 8.167e-18 8.879e-18 -17.088 -17.052 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -116254,14 +115644,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -116272,21 +115662,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.58 -2.80 CH4 + CH4(g) -7.76 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -116310,7 +115700,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.342e-11 Surface + diffuse layer charge, eq + -9.370e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -116320,7 +115710,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -116329,14 +115719,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6622e-10 + Cl 4.6620e-10 H 1.2949e-04 - Hto 1.6240e-10 - I 1.1057e-22 + Hto 1.6239e-10 + I 1.1058e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.5878e-11 + Nat 7.5868e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -116367,18 +115757,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.121e-10 + Electrical balance (eq) = -4.606e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -116390,10 +115780,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.444e-11 - CH4 2.444e-11 2.657e-11 -10.612 -10.576 0.036 35.46 +C(-4) 2.541e-11 + CH4 2.541e-11 2.763e-11 -10.595 -10.559 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -116402,10 +115792,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -116417,8 +115807,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.825e-11 - H2 9.125e-12 9.921e-12 -11.040 -11.003 0.036 28.61 +H(0) 1.843e-11 + H2 9.214e-12 1.002e-11 -11.036 -10.999 0.036 28.61 Hto 1.376e-09 Hto 1.376e-09 1.376e-09 -8.861 -8.861 0.000 (0) I 9.386e-10 @@ -116432,22 +115822,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.291e-10 Nat+ 1.291e-10 1.291e-10 -9.889 -9.889 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.418 -70.382 0.036 30.40 -S(-2) 3.830e-08 - HS- 2.678e-08 1.763e-08 -7.572 -7.754 -0.182 21.14 - H2S 1.151e-08 1.252e-08 -7.939 -7.902 0.036 36.27 - S-2 1.088e-13 2.622e-14 -12.963 -13.581 -0.618 (0) - (H2S)2 7.596e-18 8.258e-18 -17.119 -17.083 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.427 -70.390 0.036 30.40 +S(-2) 3.982e-08 + HS- 2.785e-08 1.833e-08 -7.555 -7.737 -0.182 21.14 + H2S 1.197e-08 1.302e-08 -7.922 -7.885 0.036 36.27 + S-2 1.131e-13 2.727e-14 -12.946 -13.564 -0.618 (0) + (H2S)2 8.212e-18 8.929e-18 -17.086 -17.049 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -116456,14 +115845,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -116474,21 +115863,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.58 -2.80 CH4 + CH4(g) -7.76 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -116512,7 +115901,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.335e-11 Surface + diffuse layer charge, eq + -9.364e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -116522,7 +115911,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -116531,14 +115920,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6622e-10 + Cl 4.6620e-10 H 1.2949e-04 - Hto 2.6445e-11 - I 1.5464e-23 + Hto 2.6443e-11 + I 1.5458e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.5794e-12 + Nat 7.5782e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -116569,18 +115958,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.163 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.165 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.117e-10 + Electrical balance (eq) = -4.600e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -116592,35 +115981,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.424e-11 - CH4 2.424e-11 2.635e-11 -10.616 -10.579 0.036 35.46 +C(-4) 2.522e-11 + CH4 2.522e-11 2.742e-11 -10.598 -10.562 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.821e-11 - H2 9.106e-12 9.900e-12 -11.041 -11.004 0.036 28.61 +H(0) 1.839e-11 + H2 9.197e-12 9.999e-12 -11.036 -11.000 0.036 28.61 Hto 2.241e-10 Hto 2.241e-10 2.241e-10 -9.650 -9.650 0.000 (0) I 1.312e-10 @@ -116634,22 +116023,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.290e-11 Nat+ 1.290e-11 1.290e-11 -10.890 -10.890 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.416 -70.380 0.036 30.40 -S(-2) 3.798e-08 - HS- 2.656e-08 1.749e-08 -7.576 -7.757 -0.182 21.14 - H2S 1.142e-08 1.241e-08 -7.942 -7.906 0.036 36.27 - S-2 1.079e-13 2.601e-14 -12.967 -13.585 -0.618 (0) - (H2S)2 7.470e-18 8.122e-18 -17.127 -17.090 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.425 -70.389 0.036 30.40 +S(-2) 3.952e-08 + HS- 2.764e-08 1.820e-08 -7.558 -7.740 -0.182 21.14 + H2S 1.188e-08 1.292e-08 -7.925 -7.889 0.036 36.27 + S-2 1.123e-13 2.706e-14 -12.950 -13.568 -0.618 (0) + (H2S)2 8.089e-18 8.794e-18 -17.092 -17.056 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -116658,14 +116046,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -116676,21 +116064,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.78 -10.58 -2.80 CH4 + CH4(g) -7.76 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.85 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -116714,7 +116102,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.323e-11 Surface + diffuse layer charge, eq + -9.351e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -116724,7 +116112,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -116733,14 +116121,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 3.6193e-12 - I 1.8115e-24 + Hto 3.6189e-12 + I 1.8113e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2900e-13 + Nat 6.2889e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -116771,18 +116159,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.165 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.033e-10 + Electrical balance (eq) = 5.339e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -116794,35 +116182,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.387e-11 - CH4 2.387e-11 2.595e-11 -10.622 -10.586 0.036 35.46 +C(-4) 2.486e-11 + CH4 2.486e-11 2.702e-11 -10.605 -10.568 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.814e-11 - H2 9.071e-12 9.862e-12 -11.042 -11.006 0.036 28.61 +H(0) 1.833e-11 + H2 9.163e-12 9.963e-12 -11.038 -11.002 0.036 28.61 Hto 3.067e-11 Hto 3.067e-11 3.067e-11 -10.513 -10.513 0.000 (0) I 1.537e-11 @@ -116834,7 +116222,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -116842,16 +116230,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.070e-12 - Nat+ 1.070e-12 1.070e-12 -11.970 -11.970 -0.000 (0) + Nat+ 1.070e-12 1.070e-12 -11.971 -11.971 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.413 -70.377 0.036 30.40 -S(-2) 3.741e-08 - HS- 2.616e-08 1.722e-08 -7.582 -7.764 -0.182 21.14 - H2S 1.125e-08 1.223e-08 -7.949 -7.913 0.036 36.27 - S-2 1.063e-13 2.561e-14 -12.974 -13.592 -0.618 (0) - (H2S)2 7.246e-18 7.878e-18 -17.140 -17.104 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.422 -70.386 0.036 30.40 +S(-2) 3.895e-08 + HS- 2.724e-08 1.793e-08 -7.565 -7.746 -0.182 21.14 + H2S 1.171e-08 1.273e-08 -7.931 -7.895 0.036 36.27 + S-2 1.106e-13 2.667e-14 -12.956 -13.574 -0.618 (0) + (H2S)2 7.857e-18 8.542e-18 -17.105 -17.068 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -116866,7 +116253,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -116878,21 +116265,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.78 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.85 -7.94 H2S + H2S(g) -6.90 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.38 -2.89 O2 + O2(g) -67.49 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -116916,7 +116303,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.314e-11 Surface + diffuse layer charge, eq + -9.342e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -116926,7 +116313,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -116935,14 +116322,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 4.2039e-13 - I 1.7963e-25 + Hto 4.2034e-13 + I 1.7966e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3933e-14 + Nat 4.3924e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -116961,30 +116348,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.563e-12 4.197e-13 + Hto 3.562e-12 4.197e-13 I 1.525e-12 1.796e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.476e-14 8.807e-15 + Nat 7.474e-14 8.805e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.519e-10 + Electrical balance (eq) = 1.039e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -116996,37 +116383,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.364e-11 - CH4 2.364e-11 2.570e-11 -10.626 -10.590 0.036 35.46 +C(-4) 2.462e-11 + CH4 2.462e-11 2.677e-11 -10.609 -10.572 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.810e-11 - H2 9.049e-12 9.838e-12 -11.043 -11.007 0.036 28.61 -Hto 3.563e-12 - Hto 3.563e-12 3.563e-12 -11.448 -11.448 0.000 (0) +H(0) 1.828e-11 + H2 9.142e-12 9.939e-12 -11.039 -11.003 0.036 28.61 +Hto 3.562e-12 + Hto 3.562e-12 3.562e-12 -11.448 -11.448 0.000 (0) I 1.525e-12 I- 1.525e-12 1.525e-12 -11.817 -11.817 -0.000 (0) K 1.540e-03 @@ -117036,7 +116423,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -117044,16 +116431,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 7.476e-14 - Nat+ 7.476e-14 7.476e-14 -13.126 -13.126 -0.000 (0) +Nat 7.474e-14 + Nat+ 7.474e-14 7.474e-14 -13.126 -13.126 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.411 -70.375 0.036 30.40 -S(-2) 3.704e-08 - HS- 2.590e-08 1.705e-08 -7.587 -7.768 -0.182 21.14 - H2S 1.114e-08 1.211e-08 -7.953 -7.917 0.036 36.27 - S-2 1.052e-13 2.536e-14 -12.978 -13.596 -0.618 (0) - (H2S)2 7.106e-18 7.726e-18 -17.148 -17.112 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.420 -70.383 0.036 30.40 +S(-2) 3.859e-08 + HS- 2.699e-08 1.776e-08 -7.569 -7.750 -0.182 21.14 + H2S 1.160e-08 1.261e-08 -7.936 -7.899 0.036 36.27 + S-2 1.096e-13 2.642e-14 -12.960 -13.578 -0.618 (0) + (H2S)2 7.710e-18 8.383e-18 -17.113 -17.077 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -117068,7 +116454,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -117080,21 +116466,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.90 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -117118,7 +116504,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.311e-11 Surface + diffuse layer charge, eq + -9.339e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -117128,7 +116514,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -117137,14 +116523,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 4.1741e-14 + Hto 4.1735e-14 I 1.5203e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6069e-15 + Nat 2.6063e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -117168,25 +116554,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.436e-15 5.226e-16 + Nat 4.435e-15 5.225e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.088e-12 + Electrical balance (eq) = -3.522e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -117200,33 +116586,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.356e-11 - CH4 2.356e-11 2.562e-11 -10.628 -10.591 0.036 35.46 +C(-4) 2.455e-11 + CH4 2.455e-11 2.669e-11 -10.610 -10.574 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.042e-12 9.830e-12 -11.044 -11.007 0.036 28.61 +H(0) 1.827e-11 + H2 9.135e-12 9.932e-12 -11.039 -11.003 0.036 28.61 Hto 3.537e-13 Hto 3.537e-13 3.537e-13 -12.451 -12.451 0.000 (0) I 1.290e-13 @@ -117238,7 +116624,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -117246,16 +116632,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 4.436e-15 - Nat+ 4.436e-15 4.436e-15 -14.353 -14.353 -0.000 (0) +Nat 4.435e-15 + Nat+ 4.435e-15 4.435e-15 -14.353 -14.353 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.692e-08 - HS- 2.582e-08 1.700e-08 -7.588 -7.770 -0.182 21.14 - H2S 1.110e-08 1.207e-08 -7.955 -7.918 0.036 36.27 - S-2 1.049e-13 2.528e-14 -12.979 -13.597 -0.618 (0) - (H2S)2 7.060e-18 7.676e-18 -17.151 -17.115 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 +S(-2) 3.847e-08 + HS- 2.690e-08 1.771e-08 -7.570 -7.752 -0.182 21.14 + H2S 1.157e-08 1.257e-08 -7.937 -7.901 0.036 36.27 + S-2 1.093e-13 2.634e-14 -12.961 -13.579 -0.618 (0) + (H2S)2 7.663e-18 8.332e-18 -17.116 -17.079 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -117270,7 +116655,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -117282,21 +116667,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -117320,7 +116705,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.311e-11 Surface + diffuse layer charge, eq + -9.339e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -117330,7 +116715,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -117339,14 +116724,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 3.5612e-15 + Hto 3.5606e-15 I 1.1036e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3229e-16 + Nat 1.3225e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -117365,30 +116750,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.018e-14 3.555e-15 + Hto 3.017e-14 3.555e-15 I 9.368e-15 1.104e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.251e-16 2.652e-17 + Nat 2.250e-16 2.651e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.842e-11 + Electrical balance (eq) = -3.665e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -117402,35 +116787,35 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.359e-11 - CH4 2.359e-11 2.565e-11 -10.627 -10.591 0.036 35.46 +C(-4) 2.458e-11 + CH4 2.458e-11 2.672e-11 -10.609 -10.573 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.809e-11 - H2 9.044e-12 9.833e-12 -11.044 -11.007 0.036 28.61 -Hto 3.018e-14 - Hto 3.018e-14 3.018e-14 -13.520 -13.520 0.000 (0) +H(0) 1.828e-11 + H2 9.138e-12 9.935e-12 -11.039 -11.003 0.036 28.61 +Hto 3.017e-14 + Hto 3.017e-14 3.017e-14 -13.520 -13.520 0.000 (0) I 9.368e-15 I- 9.368e-15 9.368e-15 -14.028 -14.028 -0.000 (0) K 1.540e-03 @@ -117440,7 +116825,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -117448,16 +116833,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 2.251e-16 - Nat+ 2.251e-16 2.251e-16 -15.648 -15.648 -0.000 (0) +Nat 2.250e-16 + Nat+ 2.250e-16 2.250e-16 -15.648 -15.648 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.411 -70.374 0.036 30.40 -S(-2) 3.697e-08 - HS- 2.585e-08 1.702e-08 -7.587 -7.769 -0.182 21.14 - H2S 1.112e-08 1.208e-08 -7.954 -7.918 0.036 36.27 - S-2 1.050e-13 2.531e-14 -12.979 -13.597 -0.618 (0) - (H2S)2 7.078e-18 7.696e-18 -17.150 -17.114 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 +S(-2) 3.851e-08 + HS- 2.694e-08 1.773e-08 -7.570 -7.751 -0.182 21.14 + H2S 1.158e-08 1.259e-08 -7.936 -7.900 0.036 36.27 + S-2 1.094e-13 2.637e-14 -12.961 -13.579 -0.618 (0) + (H2S)2 7.682e-18 8.352e-18 -17.115 -17.078 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -117472,7 +116856,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -117484,21 +116868,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.91 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -117522,7 +116906,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.317e-11 Surface + diffuse layer charge, eq + -9.345e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -117532,7 +116916,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -117541,14 +116925,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6621e-10 H 1.2949e-04 - Hto 2.6196e-16 - I 6.9025e-29 + Hto 2.6191e-16 + I 6.9013e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.7665e-18 + Nat 5.7648e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -117572,25 +116956,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.812e-18 1.156e-18 + Nat 9.810e-18 1.156e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.164 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.474e-09 + Electrical balance (eq) = 1.125e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -117602,35 +116986,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.380e-11 - CH4 2.380e-11 2.588e-11 -10.623 -10.587 0.036 35.46 +C(-4) 2.479e-11 + CH4 2.479e-11 2.695e-11 -10.606 -10.569 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.813e-11 - H2 9.064e-12 9.855e-12 -11.043 -11.006 0.036 28.61 +H(0) 1.831e-11 + H2 9.157e-12 9.956e-12 -11.038 -11.002 0.036 28.61 Hto 2.220e-15 Hto 2.220e-15 2.220e-15 -14.654 -14.654 0.000 (0) I 5.857e-16 @@ -117642,7 +117026,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -117650,16 +117034,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 9.812e-18 - Nat+ 9.812e-18 9.812e-18 -17.008 -17.008 -0.000 (0) +Nat 9.810e-18 + Nat+ 9.810e-18 9.810e-18 -17.008 -17.008 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.412 -70.376 0.036 30.40 -S(-2) 3.730e-08 - HS- 2.608e-08 1.717e-08 -7.584 -7.765 -0.182 21.14 - H2S 1.121e-08 1.219e-08 -7.950 -7.914 0.036 36.27 - S-2 1.059e-13 2.554e-14 -12.975 -13.593 -0.618 (0) - (H2S)2 7.204e-18 7.832e-18 -17.142 -17.106 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.421 -70.385 0.036 30.40 +S(-2) 3.884e-08 + HS- 2.716e-08 1.788e-08 -7.566 -7.748 -0.182 21.14 + H2S 1.168e-08 1.270e-08 -7.933 -7.896 0.036 36.27 + S-2 1.103e-13 2.660e-14 -12.957 -13.575 -0.618 (0) + (H2S)2 7.812e-18 8.494e-18 -17.107 -17.071 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -117674,7 +117057,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -117686,21 +117069,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.91 -11.01 -3.10 H2 + H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.90 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.38 -2.89 O2 + O2(g) -67.49 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.94 -0.06 4.88 S + Sulfur -4.93 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -117724,7 +117107,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.329e-11 Surface + diffuse layer charge, eq + -9.357e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -117734,7 +117117,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -117743,14 +117126,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6622e-10 + Cl 4.6620e-10 H 1.2949e-04 - Hto 1.6644e-17 + Hto 1.6641e-17 I 3.7240e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1648e-19 + Nat 2.1641e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -117769,30 +117152,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.410e-16 1.662e-17 + Hto 1.410e-16 1.661e-17 I 3.161e-17 3.724e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.684e-19 4.340e-20 + Nat 3.683e-19 4.338e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.163 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.165 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.109e-10 + Electrical balance (eq) = -4.592e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -117804,35 +117187,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.425e-11 - CH4 2.425e-11 2.637e-11 -10.615 -10.579 0.036 35.46 +C(-4) 2.524e-11 + CH4 2.524e-11 2.744e-11 -10.598 -10.562 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.821e-11 - H2 9.107e-12 9.902e-12 -11.041 -11.004 0.036 28.61 +H(0) 1.840e-11 + H2 9.199e-12 1.000e-11 -11.036 -11.000 0.036 28.61 Hto 1.410e-16 Hto 1.410e-16 1.410e-16 -15.851 -15.851 0.000 (0) I 3.161e-17 @@ -117846,22 +117229,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 3.684e-19 - Nat+ 3.684e-19 3.684e-19 -18.434 -18.434 -0.000 (0) +Nat 3.683e-19 + Nat+ 3.683e-19 3.683e-19 -18.434 -18.434 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.417 -70.380 0.036 30.40 -S(-2) 3.801e-08 - HS- 2.658e-08 1.750e-08 -7.575 -7.757 -0.182 21.14 - H2S 1.143e-08 1.242e-08 -7.942 -7.906 0.036 36.27 - S-2 1.080e-13 2.603e-14 -12.967 -13.585 -0.618 (0) - (H2S)2 7.481e-18 8.134e-18 -17.126 -17.090 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.425 -70.389 0.036 30.40 +S(-2) 3.955e-08 + HS- 2.766e-08 1.821e-08 -7.558 -7.740 -0.182 21.14 + H2S 1.189e-08 1.293e-08 -7.925 -7.888 0.036 36.27 + S-2 1.124e-13 2.708e-14 -12.949 -13.567 -0.618 (0) + (H2S)2 8.101e-18 8.808e-18 -17.091 -17.055 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -117870,14 +117252,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -117888,21 +117270,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.78 -10.58 -2.80 CH4 + CH4(g) -7.76 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.85 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -117926,7 +117308,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.337e-11 Surface + diffuse layer charge, eq + -9.365e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -117936,7 +117318,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -117945,14 +117327,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6620e-10 H 1.2949e-04 - Hto 9.1366e-19 + Hto 9.1347e-19 I 1.7348e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.0052e-21 + Nat 7.0027e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -117971,7 +117353,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.743e-18 9.122e-19 + Hto 7.741e-18 9.120e-19 I 1.472e-18 1.735e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -117983,18 +117365,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.117e-10 + Electrical balance (eq) = -4.603e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -118006,10 +117388,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.448e-11 - CH4 2.448e-11 2.662e-11 -10.611 -10.575 0.036 35.46 +C(-4) 2.547e-11 + CH4 2.547e-11 2.769e-11 -10.594 -10.558 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -118018,8 +117400,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -118033,10 +117415,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.826e-11 - H2 9.129e-12 9.925e-12 -11.040 -11.003 0.036 28.61 -Hto 7.743e-18 - Hto 7.743e-18 7.743e-18 -17.111 -17.111 0.000 (0) +H(0) 1.844e-11 + H2 9.219e-12 1.002e-11 -11.035 -10.999 0.036 28.61 +Hto 7.741e-18 + Hto 7.741e-18 7.741e-18 -17.111 -17.111 0.000 (0) I 1.472e-18 I- 1.472e-18 1.472e-18 -17.832 -17.832 -0.000 (0) K 1.540e-03 @@ -118048,22 +117430,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.192e-20 Nat+ 1.192e-20 1.192e-20 -19.924 -19.924 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.382 0.036 30.40 -S(-2) 3.837e-08 - HS- 2.683e-08 1.766e-08 -7.571 -7.753 -0.182 21.14 - H2S 1.154e-08 1.254e-08 -7.938 -7.902 0.036 36.27 - S-2 1.090e-13 2.627e-14 -12.963 -13.581 -0.618 (0) - (H2S)2 7.623e-18 8.288e-18 -17.118 -17.082 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.427 -70.391 0.036 30.40 +S(-2) 3.991e-08 + HS- 2.791e-08 1.837e-08 -7.554 -7.736 -0.182 21.14 + H2S 1.200e-08 1.305e-08 -7.921 -7.885 0.036 36.27 + S-2 1.134e-13 2.733e-14 -12.945 -13.563 -0.618 (0) + (H2S)2 8.249e-18 8.968e-18 -17.084 -17.047 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -118072,14 +117453,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -118090,21 +117471,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.76 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -118128,7 +117509,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.367e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -118138,7 +117519,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -118147,14 +117528,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 4.3283e-20 + Hto 4.3273e-20 I 6.9710e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9518e-22 + Nat 1.9511e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -118173,30 +117554,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.668e-19 4.321e-20 + Hto 3.667e-19 4.320e-20 I 5.916e-20 6.969e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.321e-22 3.913e-23 + Nat 3.320e-22 3.911e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.121e-10 + Electrical balance (eq) = -4.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -118208,10 +117589,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.454e-11 - CH4 2.454e-11 2.668e-11 -10.610 -10.574 0.036 35.46 +C(-4) 2.553e-11 + CH4 2.553e-11 2.775e-11 -10.593 -10.557 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -118220,8 +117601,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -118234,11 +117615,11 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.827e-11 - H2 9.134e-12 9.931e-12 -11.039 -11.003 0.036 28.61 -Hto 3.668e-19 - Hto 3.668e-19 3.668e-19 -18.436 -18.436 0.000 (0) + HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.845e-11 + H2 9.225e-12 1.003e-11 -11.035 -10.999 0.036 28.61 +Hto 3.667e-19 + Hto 3.667e-19 3.667e-19 -18.436 -18.436 0.000 (0) I 5.916e-20 I- 5.916e-20 5.916e-20 -19.228 -19.228 -0.000 (0) K 1.540e-03 @@ -118250,22 +117631,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 3.321e-22 - Nat+ 3.321e-22 3.321e-22 -21.479 -21.479 -0.000 (0) +Nat 3.320e-22 + Nat+ 3.320e-22 3.320e-22 -21.479 -21.479 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 -S(-2) 3.846e-08 - HS- 2.690e-08 1.771e-08 -7.570 -7.752 -0.182 21.14 - H2S 1.156e-08 1.257e-08 -7.937 -7.901 0.036 36.27 - S-2 1.092e-13 2.633e-14 -12.962 -13.579 -0.618 (0) - (H2S)2 7.659e-18 8.328e-18 -17.116 -17.079 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.391 0.036 30.40 +S(-2) 4.000e-08 + HS- 2.798e-08 1.842e-08 -7.553 -7.735 -0.182 21.14 + H2S 1.203e-08 1.308e-08 -7.920 -7.884 0.036 36.27 + S-2 1.136e-13 2.739e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.287e-18 9.010e-18 -17.082 -17.045 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -118274,14 +117654,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -118292,21 +117672,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -118330,7 +117710,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.367e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -118340,7 +117720,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -118349,14 +117729,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 1.7645e-21 + Hto 1.7640e-21 I 2.4084e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5742e-24 + Nat 4.5723e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -118375,30 +117755,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.495e-20 1.762e-21 + Hto 1.495e-20 1.761e-21 I 2.044e-21 2.408e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.783e-24 9.170e-25 + Nat 7.780e-24 9.166e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.122e-10 + Electrical balance (eq) = -4.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -118410,10 +117790,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.455e-11 - CH4 2.455e-11 2.669e-11 -10.610 -10.574 0.036 35.46 +C(-4) 2.554e-11 + CH4 2.554e-11 2.776e-11 -10.593 -10.557 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -118422,8 +117802,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -118436,9 +117816,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.827e-11 - H2 9.135e-12 9.932e-12 -11.039 -11.003 0.036 28.61 + HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.845e-11 + H2 9.226e-12 1.003e-11 -11.035 -10.999 0.036 28.61 Hto 1.495e-20 Hto 1.495e-20 1.495e-20 -19.825 -19.825 0.000 (0) I 2.044e-21 @@ -118452,22 +117832,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 7.783e-24 - Nat+ 7.783e-24 7.783e-24 -23.109 -23.109 -0.000 (0) +Nat 7.780e-24 + Nat+ 7.780e-24 7.780e-24 -23.109 -23.109 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 -S(-2) 3.847e-08 - HS- 2.691e-08 1.771e-08 -7.570 -7.752 -0.182 21.14 - H2S 1.157e-08 1.258e-08 -7.937 -7.900 0.036 36.27 - S-2 1.093e-13 2.634e-14 -12.961 -13.579 -0.618 (0) - (H2S)2 7.665e-18 8.334e-18 -17.115 -17.079 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.391 0.036 30.40 +S(-2) 4.002e-08 + HS- 2.799e-08 1.842e-08 -7.553 -7.735 -0.182 21.14 + H2S 1.203e-08 1.308e-08 -7.920 -7.883 0.036 36.27 + S-2 1.137e-13 2.740e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.293e-18 9.016e-18 -17.081 -17.045 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -118476,14 +117855,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -118494,21 +117873,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -118532,7 +117911,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.367e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -118542,7 +117921,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -118551,9 +117930,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 6.1581e-23 + Hto 6.1565e-23 I 7.0515e-36 K 8.9156e-04 Mg 4.6365e-02 @@ -118576,7 +117955,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.219e-22 6.148e-23 + Hto 5.217e-22 6.147e-23 I 5.985e-23 7.051e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -118587,18 +117966,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.118e-10 + Electrical balance (eq) = -4.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -118610,10 +117989,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.455e-11 - CH4 2.455e-11 2.669e-11 -10.610 -10.574 0.036 35.46 +C(-4) 2.554e-11 + CH4 2.554e-11 2.777e-11 -10.593 -10.556 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -118622,8 +118001,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -118636,11 +118015,11 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.827e-11 - H2 9.135e-12 9.932e-12 -11.039 -11.003 0.036 28.61 -Hto 5.219e-22 - Hto 5.219e-22 5.219e-22 -21.282 -21.282 0.000 (0) + HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.845e-11 + H2 9.226e-12 1.003e-11 -11.035 -10.999 0.036 28.61 +Hto 5.217e-22 + Hto 5.217e-22 5.217e-22 -21.283 -21.283 0.000 (0) I 5.985e-23 I- 5.985e-23 5.985e-23 -22.223 -22.223 -0.000 (0) K 1.540e-03 @@ -118652,20 +118031,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 -S(-2) 3.847e-08 - HS- 2.691e-08 1.771e-08 -7.570 -7.752 -0.182 21.14 - H2S 1.157e-08 1.258e-08 -7.937 -7.900 0.036 36.27 - S-2 1.093e-13 2.635e-14 -12.961 -13.579 -0.618 (0) - (H2S)2 7.666e-18 8.334e-18 -17.115 -17.079 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.391 0.036 30.40 +S(-2) 4.002e-08 + HS- 2.799e-08 1.842e-08 -7.553 -7.735 -0.182 21.14 + H2S 1.203e-08 1.308e-08 -7.920 -7.883 0.036 36.27 + S-2 1.137e-13 2.740e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.293e-18 9.017e-18 -17.081 -17.045 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -118674,14 +118052,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -118692,21 +118070,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -118730,7 +118108,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.367e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -118740,7 +118118,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -118749,10 +118127,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 1.7856e-24 - I 1.2069e-37 + Hto 1.7851e-24 + I 1.2072e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -118774,7 +118152,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.513e-23 1.783e-24 + Hto 1.513e-23 1.782e-24 I 1.024e-24 1.207e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -118785,18 +118163,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.119e-10 + Electrical balance (eq) = -4.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -118808,10 +118186,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.455e-11 - CH4 2.455e-11 2.669e-11 -10.610 -10.574 0.036 35.46 +C(-4) 2.554e-11 + CH4 2.554e-11 2.777e-11 -10.593 -10.556 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -118820,8 +118198,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -118834,9 +118212,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.827e-11 - H2 9.135e-12 9.932e-12 -11.039 -11.003 0.036 28.61 + HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.845e-11 + H2 9.226e-12 1.003e-11 -11.035 -10.999 0.036 28.61 Hto 1.513e-23 Hto 1.513e-23 1.513e-23 -22.820 -22.820 0.000 (0) I 1.024e-24 @@ -118850,20 +118228,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 -S(-2) 3.847e-08 - HS- 2.691e-08 1.771e-08 -7.570 -7.752 -0.182 21.14 - H2S 1.157e-08 1.258e-08 -7.937 -7.900 0.036 36.27 - S-2 1.093e-13 2.635e-14 -12.961 -13.579 -0.618 (0) - (H2S)2 7.666e-18 8.334e-18 -17.115 -17.079 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.391 0.036 30.40 +S(-2) 4.002e-08 + HS- 2.799e-08 1.842e-08 -7.553 -7.735 -0.182 21.14 + H2S 1.203e-08 1.308e-08 -7.920 -7.883 0.036 36.27 + S-2 1.137e-13 2.741e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.293e-18 9.017e-18 -17.081 -17.045 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -118872,14 +118249,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -118890,21 +118267,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -118928,7 +118305,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.367e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -118938,7 +118315,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -118947,7 +118324,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -118979,18 +118356,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.119e-10 + Electrical balance (eq) = -4.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -119002,10 +118379,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.455e-11 - CH4 2.455e-11 2.669e-11 -10.610 -10.574 0.036 35.46 +C(-4) 2.554e-11 + CH4 2.554e-11 2.777e-11 -10.593 -10.556 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -119014,8 +118391,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -119028,9 +118405,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.827e-11 - H2 9.135e-12 9.932e-12 -11.039 -11.003 0.036 28.61 + HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.845e-11 + H2 9.226e-12 1.003e-11 -11.035 -10.999 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -119040,20 +118417,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 -S(-2) 3.847e-08 - HS- 2.691e-08 1.771e-08 -7.570 -7.752 -0.182 21.14 - H2S 1.157e-08 1.258e-08 -7.937 -7.900 0.036 36.27 - S-2 1.093e-13 2.635e-14 -12.961 -13.579 -0.618 (0) - (H2S)2 7.666e-18 8.335e-18 -17.115 -17.079 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.391 0.036 30.40 +S(-2) 4.002e-08 + HS- 2.799e-08 1.842e-08 -7.553 -7.735 -0.182 21.14 + H2S 1.203e-08 1.308e-08 -7.920 -7.883 0.036 36.27 + S-2 1.137e-13 2.741e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.293e-18 9.017e-18 -17.081 -17.045 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -119062,14 +118438,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -119080,21 +118456,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -119118,7 +118494,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.367e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -119128,7 +118504,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -119137,7 +118513,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -119169,18 +118545,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.122e-10 + Electrical balance (eq) = -4.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -119192,10 +118568,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.455e-11 - CH4 2.455e-11 2.669e-11 -10.610 -10.574 0.036 35.46 +C(-4) 2.554e-11 + CH4 2.554e-11 2.777e-11 -10.593 -10.556 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -119204,8 +118580,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -119218,9 +118594,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.827e-11 - H2 9.135e-12 9.932e-12 -11.039 -11.003 0.036 28.61 + HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.845e-11 + H2 9.226e-12 1.003e-11 -11.035 -10.999 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -119230,20 +118606,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 -S(-2) 3.848e-08 - HS- 2.691e-08 1.771e-08 -7.570 -7.752 -0.182 21.14 - H2S 1.157e-08 1.258e-08 -7.937 -7.900 0.036 36.27 - S-2 1.093e-13 2.635e-14 -12.961 -13.579 -0.618 (0) - (H2S)2 7.666e-18 8.335e-18 -17.115 -17.079 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.391 0.036 30.40 +S(-2) 4.002e-08 + HS- 2.799e-08 1.842e-08 -7.553 -7.735 -0.182 21.14 + H2S 1.203e-08 1.308e-08 -7.920 -7.883 0.036 36.27 + S-2 1.137e-13 2.741e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.293e-18 9.017e-18 -17.081 -17.045 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -119252,14 +118627,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -119270,21 +118645,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.83 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -119314,18 +118689,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -119339,8 +118714,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -119364,8 +118739,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -119385,16 +118760,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -119421,21 +118795,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -119463,18 +118837,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -119488,8 +118862,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -119513,8 +118887,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -119534,16 +118908,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -119570,21 +118943,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -119621,18 +118994,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.994 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.990 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.971e-12 + Electrical balance (eq) = -9.222e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -119646,8 +119019,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.087e-12 - CH4 1.087e-12 1.181e-12 -11.964 -11.928 0.036 35.46 +C(-4) 1.007e-12 + CH4 1.007e-12 1.095e-12 -11.997 -11.961 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -119671,8 +119044,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.378e-12 - H2 4.189e-12 4.555e-12 -11.378 -11.342 0.036 28.61 +H(0) 8.220e-12 + H2 4.110e-12 4.469e-12 -11.386 -11.350 0.036 28.61 Hto 5.842e-07 Hto 5.842e-07 5.842e-07 -6.233 -6.233 0.000 (0) I 7.483e-07 @@ -119692,16 +119065,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.438e-07 Nat+ 3.438e-07 3.438e-07 -6.464 -6.464 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.742 -69.706 0.036 30.40 -S(-2) 1.704e-09 - HS- 1.191e-09 7.841e-10 -8.924 -9.106 -0.182 21.14 - H2S 5.125e-10 5.572e-10 -9.290 -9.254 0.036 36.27 - S-2 4.833e-15 1.165e-15 -14.316 -14.934 -0.618 (0) - (H2S)2 1.505e-20 1.636e-20 -19.823 -19.786 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.725 -69.689 0.036 30.40 +S(-2) 1.579e-09 + HS- 1.104e-09 7.266e-10 -8.957 -9.139 -0.182 21.14 + H2S 4.749e-10 5.163e-10 -9.323 -9.287 0.036 36.27 + S-2 4.479e-15 1.080e-15 -14.349 -14.967 -0.618 (0) + (H2S)2 1.292e-20 1.405e-20 -19.889 -19.852 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -119710,7 +119082,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 + HSO4- 1.309e-08 9.567e-09 -7.883 -8.019 -0.136 40.78 CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -119728,21 +119100,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.13 -11.93 -2.80 CH4 + CH4(g) -9.16 -11.96 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.24 -11.34 -3.10 H2 + H2(g) -8.25 -11.35 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.26 -16.20 -7.94 H2S + H2S(g) -8.29 -16.23 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.81 -69.71 -2.89 O2 + O2(g) -66.80 -69.69 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.94 -1.06 4.88 S + Sulfur -5.97 -1.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -119766,7 +119138,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.363e-14 Surface + diffuse layer charge, eq + -4.313e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -119776,7 +119148,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -119823,18 +119195,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.071 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.070 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.949e-09 + Electrical balance (eq) = 1.682e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -119845,21 +119217,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.499e-12 - CH4 4.499e-12 4.892e-12 -11.347 -11.311 0.036 35.46 +C(-4) 4.389e-12 + CH4 4.389e-12 4.772e-12 -11.358 -11.321 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -119867,14 +119239,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.195e-11 - H2 5.976e-12 6.497e-12 -11.224 -11.187 0.036 28.61 +H(0) 1.188e-11 + H2 5.939e-12 6.457e-12 -11.226 -11.190 0.036 28.61 Hto 4.844e-07 Hto 4.844e-07 4.844e-07 -6.315 -6.315 0.000 (0) I 6.266e-07 @@ -119894,16 +119266,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.936e-07 Nat+ 2.936e-07 2.936e-07 -6.532 -6.532 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.051 -70.014 0.036 30.40 -S(-2) 7.053e-09 - HS- 4.931e-09 3.246e-09 -8.307 -8.489 -0.182 21.14 - H2S 2.122e-09 2.307e-09 -8.673 -8.637 0.036 36.27 - S-2 2.002e-14 4.825e-15 -13.699 -14.317 -0.618 (0) - (H2S)2 2.579e-19 2.804e-19 -18.589 -18.552 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.045 -70.009 0.036 30.40 +S(-2) 6.881e-09 + HS- 4.811e-09 3.167e-09 -8.318 -8.499 -0.182 21.14 + H2S 2.070e-09 2.250e-09 -8.684 -8.648 0.036 36.27 + S-2 1.953e-14 4.707e-15 -13.709 -14.327 -0.618 (0) + (H2S)2 2.454e-19 2.668e-19 -18.610 -18.574 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -119930,21 +119301,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.51 -11.31 -2.80 CH4 + CH4(g) -8.52 -11.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.09 -11.19 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.64 -15.58 -7.94 H2S + H2S(g) -7.65 -15.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.12 -70.01 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.48 -0.60 4.88 S + Sulfur -5.49 -0.61 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -119968,7 +119339,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.252e-11 Surface + diffuse layer charge, eq + -9.245e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -119978,7 +119349,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -119987,14 +119358,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6631e-10 + Cl 4.6632e-10 H 1.2949e-04 - Hto 3.0020e-08 + Hto 3.0019e-08 I 3.5218e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.4226e-08 + Nat 7.4225e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -120026,17 +119397,17 @@ Su pH = 7.090 Charge balance pe = -3.149 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.840e-10 + Electrical balance (eq) = 4.070e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -120050,8 +119421,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.878e-11 - CH4 1.878e-11 2.041e-11 -10.726 -10.690 0.036 35.46 +C(-4) 1.864e-11 + CH4 1.864e-11 2.026e-11 -10.730 -10.693 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -120063,7 +119434,7 @@ C(4) 2.744e-03 MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.606e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.276e-09 1.388e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -120071,12 +119442,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.013e-06 9.800e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.952e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.708e-11 - H2 8.542e-12 9.287e-12 -11.068 -11.032 0.036 28.61 +H(0) 1.705e-11 + H2 8.527e-12 9.270e-12 -11.069 -11.033 0.036 28.61 Hto 2.544e-07 Hto 2.544e-07 2.544e-07 -6.594 -6.594 0.000 (0) I 2.990e-07 @@ -120096,16 +119467,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.263e-07 Nat+ 1.263e-07 1.263e-07 -6.899 -6.899 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.361 -70.325 0.036 30.40 -S(-2) 2.942e-08 - HS- 2.058e-08 1.355e-08 -7.687 -7.868 -0.182 21.14 - H2S 8.848e-09 9.620e-09 -8.053 -8.017 0.036 36.27 - S-2 8.356e-14 2.014e-14 -13.078 -13.696 -0.618 (0) - (H2S)2 4.485e-18 4.876e-18 -17.348 -17.312 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.359 -70.323 0.036 30.40 +S(-2) 2.921e-08 + HS- 2.043e-08 1.345e-08 -7.690 -7.871 -0.182 21.14 + H2S 8.783e-09 9.550e-09 -8.056 -8.020 0.036 36.27 + S-2 8.295e-14 2.000e-14 -13.081 -13.699 -0.618 (0) + (H2S)2 4.420e-18 4.805e-18 -17.355 -17.318 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -120115,13 +119485,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.560e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.791e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.534e-08 7.104e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.083e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.534e-08 7.104e-08 -7.185 -7.149 0.036 -14.13 + SrOH+ 1.154e-10 8.082e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -120139,14 +119509,14 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.02 -14.96 -7.94 H2S + H2S(g) -7.03 -14.96 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.43 -70.32 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.02 -0.13 4.88 S + Sulfur -5.02 -0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -120170,7 +119540,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.400e-11 Surface + diffuse layer charge, eq + -9.402e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -120180,7 +119550,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -120189,14 +119559,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6623e-10 + Cl 4.6622e-10 H 1.2949e-04 Hto 1.1967e-08 I 1.2497e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1277e-08 + Nat 2.1276e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -120220,7 +119590,7 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.621e-08 4.265e-09 + Nat 3.620e-08 4.265e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 @@ -120228,17 +119598,17 @@ Su pH = 7.090 Charge balance pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.040e-10 + Electrical balance (eq) = -5.544e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -120252,8 +119622,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.354e-11 - CH4 2.354e-11 2.559e-11 -10.628 -10.592 0.036 35.46 +C(-4) 2.383e-11 + CH4 2.383e-11 2.591e-11 -10.623 -10.586 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -120272,13 +119642,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.808e-11 - H2 9.039e-12 9.828e-12 -11.044 -11.008 0.036 28.61 +H(0) 1.814e-11 + H2 9.068e-12 9.859e-12 -11.043 -11.006 0.036 28.61 Hto 1.014e-07 Hto 1.014e-07 1.014e-07 -6.994 -6.994 0.000 (0) I 1.061e-07 @@ -120298,16 +119668,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) -Nat 3.621e-08 - Nat+ 3.621e-08 3.621e-08 -7.441 -7.441 -0.000 (0) +Nat 3.620e-08 + Nat+ 3.620e-08 3.620e-08 -7.441 -7.441 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.410 -70.374 0.036 30.40 -S(-2) 3.688e-08 - HS- 2.579e-08 1.698e-08 -7.588 -7.770 -0.182 21.14 - H2S 1.109e-08 1.206e-08 -7.955 -7.919 0.036 36.27 - S-2 1.048e-13 2.525e-14 -12.980 -13.598 -0.618 (0) - (H2S)2 7.045e-18 7.659e-18 -17.152 -17.116 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.413 -70.376 0.036 30.40 +S(-2) 3.735e-08 + HS- 2.612e-08 1.720e-08 -7.583 -7.765 -0.182 21.14 + H2S 1.123e-08 1.221e-08 -7.950 -7.913 0.036 36.27 + S-2 1.061e-13 2.558e-14 -12.974 -13.592 -0.618 (0) + (H2S)2 7.225e-18 7.855e-18 -17.141 -17.105 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -120334,19 +119703,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.79 -10.59 -2.80 CH4 + CH4(g) -7.78 -10.59 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.91 -11.01 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.92 -14.86 -7.94 H2S + H2S(g) -6.92 -14.85 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.48 -70.37 -2.89 O2 + O2(g) -67.48 -70.38 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.94 -0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -120372,7 +119741,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.398e-11 Surface + diffuse layer charge, eq + -9.419e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -120382,7 +119751,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -120391,14 +119760,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6620e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 3.7281e-09 - I 3.4158e-21 + Hto 3.7280e-09 + I 3.4163e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.4402e-09 + Nat 4.4400e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -120422,25 +119791,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.556e-09 8.901e-10 + Nat 7.555e-09 8.901e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.165 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.167 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.083e-10 + Electrical balance (eq) = -5.566e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -120454,18 +119823,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.503e-11 - CH4 2.503e-11 2.721e-11 -10.602 -10.565 0.036 35.46 +C(-4) 2.575e-11 + CH4 2.575e-11 2.799e-11 -10.589 -10.553 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -120473,14 +119842,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.836e-11 - H2 9.179e-12 9.980e-12 -11.037 -11.001 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.849e-11 + H2 9.245e-12 1.005e-11 -11.034 -10.998 0.036 28.61 Hto 3.159e-08 Hto 3.159e-08 3.159e-08 -7.500 -7.500 0.000 (0) I 2.900e-08 @@ -120494,22 +119863,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 7.556e-09 - Nat+ 7.556e-09 7.556e-09 -8.122 -8.122 -0.000 (0) +Nat 7.555e-09 + Nat+ 7.555e-09 7.555e-09 -8.122 -8.122 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.423 -70.387 0.036 30.40 -S(-2) 3.922e-08 - HS- 2.743e-08 1.806e-08 -7.562 -7.743 -0.182 21.14 - H2S 1.179e-08 1.282e-08 -7.928 -7.892 0.036 36.27 - S-2 1.114e-13 2.686e-14 -12.953 -13.571 -0.618 (0) - (H2S)2 7.967e-18 8.662e-18 -17.099 -17.062 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.430 -70.393 0.036 30.40 +S(-2) 4.035e-08 + HS- 2.822e-08 1.858e-08 -7.549 -7.731 -0.182 21.14 + H2S 1.213e-08 1.319e-08 -7.916 -7.880 0.036 36.27 + S-2 1.146e-13 2.763e-14 -12.941 -13.559 -0.618 (0) + (H2S)2 8.430e-18 9.165e-18 -17.074 -17.038 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -120519,13 +119887,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -120536,21 +119904,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.55 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.90 -14.83 -7.94 H2S + H2S(g) -6.89 -14.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.39 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.91 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -120574,7 +119942,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.381e-11 Surface + diffuse layer charge, eq + -9.408e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -120584,7 +119952,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -120593,14 +119961,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6620e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 9.3149e-10 + Hto 9.3145e-10 I 7.4188e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.1287e-10 + Nat 7.1280e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -120619,7 +119987,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.894e-09 9.300e-10 + Hto 7.894e-09 9.299e-10 I 6.297e-09 7.418e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -120631,18 +119999,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.067e-10 + Electrical balance (eq) = -5.551e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -120656,15 +120024,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.543e-11 - CH4 2.543e-11 2.765e-11 -10.595 -10.558 0.036 35.46 +C(-4) 2.634e-11 + CH4 2.634e-11 2.864e-11 -10.579 -10.543 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -120675,14 +120043,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.843e-11 - H2 9.216e-12 1.002e-11 -11.035 -10.999 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.859e-11 + H2 9.297e-12 1.011e-11 -11.032 -10.995 0.036 28.61 Hto 7.894e-09 Hto 7.894e-09 7.894e-09 -8.103 -8.103 0.000 (0) I 6.297e-09 @@ -120697,21 +120065,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.213e-09 Nat+ 1.213e-09 1.213e-09 -8.916 -8.916 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.427 -70.390 0.036 30.40 -S(-2) 3.985e-08 - HS- 2.787e-08 1.835e-08 -7.555 -7.736 -0.182 21.14 - H2S 1.198e-08 1.302e-08 -7.922 -7.885 0.036 36.27 - S-2 1.132e-13 2.729e-14 -12.946 -13.564 -0.618 (0) - (H2S)2 8.222e-18 8.940e-18 -17.085 -17.049 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.434 -70.398 0.036 30.40 +S(-2) 4.128e-08 + HS- 2.887e-08 1.900e-08 -7.540 -7.721 -0.182 21.14 + H2S 1.241e-08 1.349e-08 -7.906 -7.870 0.036 36.27 + S-2 1.173e-13 2.827e-14 -12.931 -13.549 -0.618 (0) + (H2S)2 8.823e-18 9.592e-18 -17.054 -17.018 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -120721,7 +120088,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -120738,21 +120105,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.83 -7.94 H2S + H2S(g) -6.88 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.91 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -120776,7 +120143,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.371e-11 Surface + diffuse layer charge, eq + -9.399e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -120786,7 +120153,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -120795,14 +120162,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6620e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 1.9062e-10 + Hto 1.9061e-10 I 1.3108e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1312e-11 + Nat 9.1301e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -120826,25 +120193,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.554e-10 1.831e-11 + Nat 1.554e-10 1.830e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.055e-10 + Electrical balance (eq) = -5.543e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -120858,15 +120225,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.545e-11 - CH4 2.545e-11 2.767e-11 -10.594 -10.558 0.036 35.46 +C(-4) 2.642e-11 + CH4 2.642e-11 2.873e-11 -10.578 -10.542 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -120877,14 +120244,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.844e-11 - H2 9.218e-12 1.002e-11 -11.035 -10.999 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.861e-11 + H2 9.305e-12 1.012e-11 -11.031 -10.995 0.036 28.61 Hto 1.615e-09 Hto 1.615e-09 1.615e-09 -8.792 -8.792 0.000 (0) I 1.113e-09 @@ -120899,21 +120266,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.554e-10 Nat+ 1.554e-10 1.554e-10 -9.809 -9.809 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.427 -70.391 0.036 30.40 -S(-2) 3.988e-08 - HS- 2.789e-08 1.836e-08 -7.555 -7.736 -0.182 21.14 - H2S 1.199e-08 1.304e-08 -7.921 -7.885 0.036 36.27 - S-2 1.133e-13 2.731e-14 -12.946 -13.564 -0.618 (0) - (H2S)2 8.237e-18 8.955e-18 -17.084 -17.048 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.435 -70.399 0.036 30.40 +S(-2) 4.140e-08 + HS- 2.896e-08 1.906e-08 -7.538 -7.720 -0.182 21.14 + H2S 1.245e-08 1.353e-08 -7.905 -7.869 0.036 36.27 + S-2 1.176e-13 2.835e-14 -12.929 -13.547 -0.618 (0) + (H2S)2 8.877e-18 9.651e-18 -17.052 -17.015 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -120923,7 +120289,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -120940,21 +120306,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.83 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.91 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -120978,7 +120344,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.364e-11 Surface + diffuse layer charge, eq + -9.392e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -120988,7 +120354,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -120997,14 +120363,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6620e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 3.2476e-11 - I 1.9193e-23 + Hto 3.2473e-11 + I 1.9190e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.5699e-12 + Nat 9.5684e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -121035,18 +120401,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.165 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.051e-10 + Electrical balance (eq) = -5.537e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -121060,18 +120426,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.525e-11 - CH4 2.525e-11 2.745e-11 -10.598 -10.561 0.036 35.46 +C(-4) 2.623e-11 + CH4 2.623e-11 2.852e-11 -10.581 -10.545 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -121079,14 +120445,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.840e-11 - H2 9.199e-12 1.000e-11 -11.036 -11.000 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.858e-11 + H2 9.288e-12 1.010e-11 -11.032 -10.996 0.036 28.61 Hto 2.752e-10 Hto 2.752e-10 2.752e-10 -9.560 -9.560 0.000 (0) I 1.629e-10 @@ -121106,16 +120472,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.628e-11 Nat+ 1.628e-11 1.628e-11 -10.788 -10.788 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.425 -70.389 0.036 30.40 -S(-2) 3.957e-08 - HS- 2.767e-08 1.822e-08 -7.558 -7.740 -0.182 21.14 - H2S 1.190e-08 1.293e-08 -7.925 -7.888 0.036 36.27 - S-2 1.124e-13 2.710e-14 -12.949 -13.567 -0.618 (0) - (H2S)2 8.107e-18 8.815e-18 -17.091 -17.055 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.434 -70.397 0.036 30.40 +S(-2) 4.111e-08 + HS- 2.875e-08 1.893e-08 -7.541 -7.723 -0.182 21.14 + H2S 1.236e-08 1.344e-08 -7.908 -7.872 0.036 36.27 + S-2 1.168e-13 2.815e-14 -12.933 -13.550 -0.618 (0) + (H2S)2 8.751e-18 9.514e-18 -17.058 -17.022 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -121125,7 +120490,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -121142,21 +120507,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.83 -7.94 H2S + H2S(g) -6.88 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.50 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.91 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -121180,7 +120545,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.352e-11 Surface + diffuse layer charge, eq + -9.380e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -121190,7 +120555,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -121199,14 +120564,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 4.6656e-12 - I 2.3616e-24 + Hto 4.6651e-12 + I 2.3620e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.3553e-13 + Nat 8.3538e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -121225,31 +120590,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.954e-11 4.658e-12 + Hto 3.953e-11 4.658e-12 I 2.005e-11 2.362e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.422e-12 1.675e-13 + Nat 1.421e-12 1.675e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.165 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.167 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.101e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -4.012e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -121262,18 +120627,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.490e-11 - CH4 2.490e-11 2.707e-11 -10.604 -10.568 0.036 35.46 +C(-4) 2.588e-11 + CH4 2.588e-11 2.814e-11 -10.587 -10.551 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -121281,16 +120646,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.833e-11 - H2 9.167e-12 9.967e-12 -11.038 -11.001 0.036 28.61 -Hto 3.954e-11 - Hto 3.954e-11 3.954e-11 -10.403 -10.403 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.851e-11 + H2 9.257e-12 1.006e-11 -11.034 -10.997 0.036 28.61 +Hto 3.953e-11 + Hto 3.953e-11 3.953e-11 -10.403 -10.403 0.000 (0) I 2.005e-11 I- 2.005e-11 2.005e-11 -10.698 -10.698 -0.000 (0) K 1.540e-03 @@ -121302,22 +120667,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 1.422e-12 - Nat+ 1.422e-12 1.422e-12 -11.847 -11.847 -0.000 (0) +Nat 1.421e-12 + Nat+ 1.421e-12 1.421e-12 -11.847 -11.847 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.422 -70.386 0.036 30.40 -S(-2) 3.901e-08 - HS- 2.728e-08 1.796e-08 -7.564 -7.746 -0.182 21.14 - H2S 1.173e-08 1.275e-08 -7.931 -7.894 0.036 36.27 - S-2 1.108e-13 2.672e-14 -12.955 -13.573 -0.618 (0) - (H2S)2 7.882e-18 8.570e-18 -17.103 -17.067 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.431 -70.394 0.036 30.40 +S(-2) 4.056e-08 + HS- 2.837e-08 1.867e-08 -7.547 -7.729 -0.182 21.14 + H2S 1.219e-08 1.326e-08 -7.914 -7.878 0.036 36.27 + S-2 1.152e-13 2.777e-14 -12.938 -13.556 -0.618 (0) + (H2S)2 8.518e-18 9.261e-18 -17.070 -17.033 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -121326,14 +120690,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -121344,21 +120708,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.55 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.90 -14.84 -7.94 H2S + H2S(g) -6.88 -14.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.39 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.91 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -121382,7 +120746,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.343e-11 Surface + diffuse layer charge, eq + -9.371e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -121392,7 +120756,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -121401,14 +120765,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 5.7073e-13 - I 2.4683e-25 + Hto 5.7067e-13 + I 2.4688e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.1575e-14 + Nat 6.1563e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -121427,7 +120791,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.837e-12 5.698e-13 + Hto 4.836e-12 5.697e-13 I 2.095e-12 2.468e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -121439,18 +120803,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.588e-10 + Electrical balance (eq) = 1.047e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -121464,8 +120828,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.466e-11 - CH4 2.466e-11 2.682e-11 -10.608 -10.572 0.036 35.46 +C(-4) 2.565e-11 + CH4 2.565e-11 2.789e-11 -10.591 -10.555 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -121474,8 +120838,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -121485,14 +120849,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.829e-11 - H2 9.146e-12 9.943e-12 -11.039 -11.002 0.036 28.61 -Hto 4.837e-12 - Hto 4.837e-12 4.837e-12 -11.315 -11.315 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.847e-11 + H2 9.236e-12 1.004e-11 -11.035 -10.998 0.036 28.61 +Hto 4.836e-12 + Hto 4.836e-12 4.836e-12 -11.316 -11.316 0.000 (0) I 2.095e-12 I- 2.095e-12 2.095e-12 -11.679 -11.679 -0.000 (0) K 1.540e-03 @@ -121504,22 +120868,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.048e-13 Nat+ 1.048e-13 1.048e-13 -12.980 -12.980 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.420 -70.384 0.036 30.40 -S(-2) 3.865e-08 - HS- 2.703e-08 1.779e-08 -7.568 -7.750 -0.182 21.14 - H2S 1.162e-08 1.263e-08 -7.935 -7.898 0.036 36.27 - S-2 1.098e-13 2.647e-14 -12.959 -13.577 -0.618 (0) - (H2S)2 7.736e-18 8.411e-18 -17.111 -17.075 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.429 -70.392 0.036 30.40 +S(-2) 4.020e-08 + HS- 2.811e-08 1.851e-08 -7.551 -7.733 -0.182 21.14 + H2S 1.208e-08 1.314e-08 -7.918 -7.881 0.036 36.27 + S-2 1.142e-13 2.753e-14 -12.942 -13.560 -0.618 (0) + (H2S)2 8.367e-18 9.097e-18 -17.077 -17.041 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -121528,14 +120891,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -121546,21 +120909,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.55 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.90 -14.84 -7.94 H2S + H2S(g) -6.89 -14.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -121584,7 +120947,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.340e-11 Surface + diffuse layer charge, eq + -9.368e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -121594,7 +120957,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -121603,14 +120966,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 5.9890e-14 + Hto 5.9882e-14 I 2.2088e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8674e-15 + Nat 3.8665e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -121634,25 +120997,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.581e-15 7.753e-16 + Nat 6.579e-15 7.751e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.720e-11 + Electrical balance (eq) = -4.456e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -121664,10 +121027,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.459e-11 - CH4 2.459e-11 2.673e-11 -10.609 -10.573 0.036 35.46 +C(-4) 2.557e-11 + CH4 2.557e-11 2.780e-11 -10.592 -10.556 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -121676,8 +121039,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -121690,9 +121053,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.828e-11 - H2 9.138e-12 9.936e-12 -11.039 -11.003 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.846e-11 + H2 9.229e-12 1.003e-11 -11.035 -10.999 0.036 28.61 Hto 5.075e-13 Hto 5.075e-13 5.075e-13 -12.295 -12.295 0.000 (0) I 1.875e-13 @@ -121706,22 +121069,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 6.581e-15 - Nat+ 6.581e-15 6.581e-15 -14.182 -14.182 -0.000 (0) +Nat 6.579e-15 + Nat+ 6.579e-15 6.579e-15 -14.182 -14.182 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.419 -70.383 0.036 30.40 -S(-2) 3.853e-08 - HS- 2.695e-08 1.774e-08 -7.570 -7.751 -0.182 21.14 - H2S 1.158e-08 1.259e-08 -7.936 -7.900 0.036 36.27 - S-2 1.095e-13 2.638e-14 -12.961 -13.579 -0.618 (0) - (H2S)2 7.688e-18 8.358e-18 -17.114 -17.078 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 +S(-2) 4.007e-08 + HS- 2.803e-08 1.845e-08 -7.552 -7.734 -0.182 21.14 + H2S 1.205e-08 1.310e-08 -7.919 -7.883 0.036 36.27 + S-2 1.138e-13 2.744e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.316e-18 9.041e-18 -17.080 -17.044 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -121730,14 +121092,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -121748,21 +121110,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.89 -14.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -121786,7 +121148,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.368e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -121796,7 +121158,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -121805,14 +121167,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 5.4206e-15 - I 1.7020e-27 + Hto 5.4197e-15 + I 1.7018e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0847e-16 + Nat 2.0842e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -121831,30 +121193,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.594e-14 5.412e-15 + Hto 4.593e-14 5.411e-15 I 1.445e-14 1.702e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.547e-16 4.179e-17 + Nat 3.546e-16 4.178e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.166 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.115e-10 + Electrical balance (eq) = -4.599e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -121866,10 +121228,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.462e-11 - CH4 2.462e-11 2.677e-11 -10.609 -10.572 0.036 35.46 +C(-4) 2.561e-11 + CH4 2.561e-11 2.784e-11 -10.592 -10.555 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -121878,8 +121240,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -121889,14 +121251,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.828e-11 - H2 9.141e-12 9.939e-12 -11.039 -11.003 0.036 28.61 -Hto 4.594e-14 - Hto 4.594e-14 4.594e-14 -13.338 -13.338 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.846e-11 + H2 9.232e-12 1.004e-11 -11.035 -10.998 0.036 28.61 +Hto 4.593e-14 + Hto 4.593e-14 4.593e-14 -13.338 -13.338 0.000 (0) I 1.445e-14 I- 1.445e-14 1.445e-14 -13.840 -13.840 -0.000 (0) K 1.540e-03 @@ -121908,22 +121270,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 3.547e-16 - Nat+ 3.547e-16 3.547e-16 -15.450 -15.450 -0.000 (0) +Nat 3.546e-16 + Nat+ 3.546e-16 3.546e-16 -15.450 -15.450 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.420 -70.383 0.036 30.40 -S(-2) 3.858e-08 - HS- 2.698e-08 1.776e-08 -7.569 -7.751 -0.182 21.14 - H2S 1.160e-08 1.261e-08 -7.936 -7.899 0.036 36.27 - S-2 1.096e-13 2.642e-14 -12.960 -13.578 -0.618 (0) - (H2S)2 7.708e-18 8.381e-18 -17.113 -17.077 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 +S(-2) 4.013e-08 + HS- 2.806e-08 1.847e-08 -7.552 -7.733 -0.182 21.14 + H2S 1.206e-08 1.312e-08 -7.919 -7.882 0.036 36.27 + S-2 1.140e-13 2.748e-14 -12.943 -13.561 -0.618 (0) + (H2S)2 8.338e-18 9.065e-18 -17.079 -17.043 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -121932,14 +121293,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -121950,21 +121311,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.90 -14.84 -7.94 H2S + H2S(g) -6.89 -14.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.38 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.05 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -121988,7 +121349,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.346e-11 Surface + diffuse layer charge, eq + -9.374e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -121998,7 +121359,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -122007,14 +121368,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6621e-10 + Cl 4.6619e-10 H 1.2949e-04 - Hto 4.2475e-16 + Hto 4.2468e-16 I 1.1342e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.6915e-18 + Nat 9.6887e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -122033,30 +121394,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.600e-15 4.241e-16 + Hto 3.599e-15 4.240e-16 I 9.626e-16 1.134e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.649e-17 1.943e-18 + Nat 1.649e-17 1.942e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.165 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.167 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.380e-09 + Electrical balance (eq) = 1.032e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -122070,18 +121431,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.483e-11 - CH4 2.483e-11 2.700e-11 -10.605 -10.569 0.036 35.46 +C(-4) 2.582e-11 + CH4 2.582e-11 2.807e-11 -10.588 -10.552 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -122089,16 +121450,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.832e-11 - H2 9.161e-12 9.960e-12 -11.038 -11.002 0.036 28.61 -Hto 3.600e-15 - Hto 3.600e-15 3.600e-15 -14.444 -14.444 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.850e-11 + H2 9.251e-12 1.006e-11 -11.034 -10.998 0.036 28.61 +Hto 3.599e-15 + Hto 3.599e-15 3.599e-15 -14.444 -14.444 0.000 (0) I 9.626e-16 I- 9.626e-16 9.626e-16 -15.017 -15.017 -0.000 (0) K 1.540e-03 @@ -122110,22 +121471,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.649e-17 Nat+ 1.649e-17 1.649e-17 -16.783 -16.783 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.422 -70.385 0.036 30.40 -S(-2) 3.891e-08 - HS- 2.721e-08 1.791e-08 -7.565 -7.747 -0.182 21.14 - H2S 1.170e-08 1.272e-08 -7.932 -7.896 0.036 36.27 - S-2 1.105e-13 2.665e-14 -12.956 -13.574 -0.618 (0) - (H2S)2 7.841e-18 8.525e-18 -17.106 -17.069 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.430 -70.394 0.036 30.40 +S(-2) 4.046e-08 + HS- 2.829e-08 1.863e-08 -7.548 -7.730 -0.182 21.14 + H2S 1.216e-08 1.322e-08 -7.915 -7.879 0.036 36.27 + S-2 1.149e-13 2.770e-14 -12.940 -13.557 -0.618 (0) + (H2S)2 8.475e-18 9.215e-18 -17.072 -17.036 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -122134,14 +121494,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -122152,21 +121512,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.57 -2.80 CH4 + CH4(g) -7.75 -10.55 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.90 -14.84 -7.94 H2S + H2S(g) -6.88 -14.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.49 -70.39 -2.89 O2 + O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.93 -0.04 4.88 S + Sulfur -4.91 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -122190,7 +121550,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.357e-11 Surface + diffuse layer charge, eq + -9.385e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -122200,7 +121560,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -122209,14 +121569,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6620e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 2.8882e-17 - I 6.5512e-30 + Hto 2.8877e-17 + I 6.5520e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8976e-19 + Nat 3.8964e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -122235,30 +121595,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.448e-16 2.884e-17 + Hto 2.447e-16 2.883e-17 I 5.561e-17 6.551e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.632e-19 7.813e-20 + Nat 6.630e-19 7.811e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.041e-10 + Electrical balance (eq) = -5.528e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -122272,18 +121632,18 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.526e-11 - CH4 2.526e-11 2.747e-11 -10.597 -10.561 0.036 35.46 +C(-4) 2.625e-11 + CH4 2.625e-11 2.854e-11 -10.581 -10.545 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -122291,16 +121651,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.840e-11 - H2 9.201e-12 1.000e-11 -11.036 -11.000 0.036 28.61 -Hto 2.448e-16 - Hto 2.448e-16 2.448e-16 -15.611 -15.611 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.858e-11 + H2 9.289e-12 1.010e-11 -11.032 -10.996 0.036 28.61 +Hto 2.447e-16 + Hto 2.447e-16 2.447e-16 -15.611 -15.611 0.000 (0) I 5.561e-17 I- 5.561e-17 5.561e-17 -16.255 -16.255 -0.000 (0) K 1.540e-03 @@ -122318,16 +121678,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 6.632e-19 - Nat+ 6.632e-19 6.632e-19 -18.178 -18.178 -0.000 (0) +Nat 6.630e-19 + Nat+ 6.630e-19 6.630e-19 -18.178 -18.178 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.425 -70.389 0.036 30.40 -S(-2) 3.959e-08 - HS- 2.769e-08 1.823e-08 -7.558 -7.739 -0.182 21.14 - H2S 1.190e-08 1.294e-08 -7.924 -7.888 0.036 36.27 - S-2 1.125e-13 2.711e-14 -12.949 -13.567 -0.618 (0) - (H2S)2 8.117e-18 8.825e-18 -17.091 -17.054 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.434 -70.397 0.036 30.40 +S(-2) 4.114e-08 + HS- 2.877e-08 1.894e-08 -7.541 -7.723 -0.182 21.14 + H2S 1.237e-08 1.345e-08 -7.908 -7.871 0.036 36.27 + S-2 1.169e-13 2.817e-14 -12.932 -13.550 -0.618 (0) + (H2S)2 8.762e-18 9.527e-18 -17.057 -17.021 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -122337,7 +121696,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -122354,21 +121713,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.83 -7.94 H2S + H2S(g) -6.88 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.91 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -122392,7 +121751,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.366e-11 Surface + diffuse layer charge, eq + -9.394e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -122402,7 +121761,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -122411,14 +121770,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6620e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 1.7058e-18 - I 3.2842e-31 + Hto 1.7054e-18 + I 3.2847e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3581e-20 + Nat 1.3576e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -122437,30 +121796,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.446e-17 1.703e-18 + Hto 1.445e-17 1.703e-18 I 2.788e-18 3.284e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.311e-20 2.723e-21 + Nat 2.310e-20 2.722e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.051e-10 + Electrical balance (eq) = -5.539e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -122474,15 +121833,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.550e-11 - CH4 2.550e-11 2.772e-11 -10.594 -10.557 0.036 35.46 +C(-4) 2.648e-11 + CH4 2.648e-11 2.879e-11 -10.577 -10.541 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -122493,16 +121852,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.844e-11 - H2 9.222e-12 1.003e-11 -11.035 -10.999 0.036 28.61 -Hto 1.446e-17 - Hto 1.446e-17 1.446e-17 -16.840 -16.840 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.862e-11 + H2 9.310e-12 1.012e-11 -11.031 -10.995 0.036 28.61 +Hto 1.445e-17 + Hto 1.445e-17 1.445e-17 -16.840 -16.840 0.000 (0) I 2.788e-18 I- 2.788e-18 2.788e-18 -17.555 -17.555 -0.000 (0) K 1.540e-03 @@ -122515,21 +121874,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 2.311e-20 - Nat+ 2.311e-20 2.311e-20 -19.636 -19.636 -0.000 (0) +Nat 2.310e-20 + Nat+ 2.310e-20 2.310e-20 -19.636 -19.636 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.427 -70.391 0.036 30.40 -S(-2) 3.995e-08 - HS- 2.794e-08 1.839e-08 -7.554 -7.735 -0.182 21.14 - H2S 1.201e-08 1.306e-08 -7.920 -7.884 0.036 36.27 - S-2 1.135e-13 2.736e-14 -12.945 -13.563 -0.618 (0) - (H2S)2 8.266e-18 8.987e-18 -17.083 -17.046 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.436 -70.399 0.036 30.40 +S(-2) 4.150e-08 + HS- 2.902e-08 1.911e-08 -7.537 -7.719 -0.182 21.14 + H2S 1.248e-08 1.356e-08 -7.904 -7.868 0.036 36.27 + S-2 1.179e-13 2.842e-14 -12.928 -13.546 -0.618 (0) + (H2S)2 8.917e-18 9.695e-18 -17.050 -17.013 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -122539,7 +121897,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -122556,21 +121914,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.83 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -122594,7 +121952,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.396e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -122604,7 +121962,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -122613,14 +121971,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 8.7468e-20 + Hto 8.7448e-20 I 1.4288e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.0995e-22 + Nat 4.0980e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -122639,30 +121997,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.413e-19 8.733e-20 + Hto 7.411e-19 8.731e-20 I 1.213e-19 1.429e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.976e-22 8.218e-23 + Nat 6.973e-22 8.215e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.054e-10 + Electrical balance (eq) = -5.540e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -122676,15 +122034,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.556e-11 - CH4 2.556e-11 2.779e-11 -10.592 -10.556 0.036 35.46 +C(-4) 2.655e-11 + CH4 2.655e-11 2.886e-11 -10.576 -10.540 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -122695,16 +122053,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.846e-11 - H2 9.228e-12 1.003e-11 -11.035 -10.999 0.036 28.61 -Hto 7.413e-19 - Hto 7.413e-19 7.413e-19 -18.130 -18.130 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.863e-11 + H2 9.315e-12 1.013e-11 -11.031 -10.994 0.036 28.61 +Hto 7.411e-19 + Hto 7.411e-19 7.411e-19 -18.130 -18.130 0.000 (0) I 1.213e-19 I- 1.213e-19 1.213e-19 -18.916 -18.916 -0.000 (0) K 1.540e-03 @@ -122717,21 +122075,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 6.976e-22 - Nat+ 6.976e-22 6.976e-22 -21.156 -21.156 -0.000 (0) +Nat 6.973e-22 + Nat+ 6.973e-22 6.973e-22 -21.157 -21.157 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 -S(-2) 4.005e-08 - HS- 2.801e-08 1.844e-08 -7.553 -7.734 -0.182 21.14 - H2S 1.204e-08 1.309e-08 -7.919 -7.883 0.036 36.27 - S-2 1.138e-13 2.743e-14 -12.944 -13.562 -0.618 (0) - (H2S)2 8.308e-18 9.032e-18 -17.081 -17.044 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 +S(-2) 4.160e-08 + HS- 2.909e-08 1.915e-08 -7.536 -7.718 -0.182 21.14 + H2S 1.251e-08 1.360e-08 -7.903 -7.867 0.036 36.27 + S-2 1.182e-13 2.849e-14 -12.927 -13.545 -0.618 (0) + (H2S)2 8.960e-18 9.742e-18 -17.048 -17.011 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -122741,7 +122098,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -122758,21 +122115,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -122796,7 +122153,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.396e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -122806,7 +122163,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -122815,14 +122172,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 3.8869e-21 - I 5.3838e-34 + Hto 3.8860e-21 + I 5.3828e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0610e-23 + Nat 1.0606e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -122841,30 +122198,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.294e-20 3.881e-21 + Hto 3.293e-20 3.880e-21 I 4.569e-21 5.382e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.805e-23 2.127e-24 + Nat 1.805e-23 2.126e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.055e-10 + Electrical balance (eq) = -5.540e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -122878,15 +122235,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.557e-11 - CH4 2.557e-11 2.780e-11 -10.592 -10.556 0.036 35.46 +C(-4) 2.656e-11 + CH4 2.656e-11 2.887e-11 -10.576 -10.539 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -122897,16 +122254,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.846e-11 - H2 9.229e-12 1.003e-11 -11.035 -10.999 0.036 28.61 -Hto 3.294e-20 - Hto 3.294e-20 3.294e-20 -19.482 -19.482 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.863e-11 + H2 9.316e-12 1.013e-11 -11.031 -10.994 0.036 28.61 +Hto 3.293e-20 + Hto 3.293e-20 3.293e-20 -19.482 -19.482 0.000 (0) I 4.569e-21 I- 4.569e-21 4.569e-21 -20.340 -20.340 -0.000 (0) K 1.540e-03 @@ -122919,21 +122276,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.805e-23 - Nat+ 1.805e-23 1.805e-23 -22.743 -22.743 -0.000 (0) + Nat+ 1.805e-23 1.805e-23 -22.744 -22.744 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 -S(-2) 4.007e-08 - HS- 2.802e-08 1.845e-08 -7.552 -7.734 -0.182 21.14 - H2S 1.205e-08 1.310e-08 -7.919 -7.883 0.036 36.27 - S-2 1.138e-13 2.744e-14 -12.944 -13.562 -0.618 (0) - (H2S)2 8.315e-18 9.040e-18 -17.080 -17.044 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 +S(-2) 4.162e-08 + HS- 2.910e-08 1.916e-08 -7.536 -7.718 -0.182 21.14 + H2S 1.251e-08 1.360e-08 -7.903 -7.866 0.036 36.27 + S-2 1.182e-13 2.850e-14 -12.927 -13.545 -0.618 (0) + (H2S)2 8.968e-18 9.750e-18 -17.047 -17.011 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -122943,7 +122299,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -122960,21 +122316,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -122998,7 +122354,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.396e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -123008,7 +122364,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -123017,14 +122373,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 1.4917e-22 + Hto 1.4913e-22 I 1.7441e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2363e-25 + Nat 1.2357e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -123048,25 +122404,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.104e-25 2.478e-26 + Nat 2.103e-25 2.477e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.052e-10 + Electrical balance (eq) = -5.540e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -123080,15 +122436,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.557e-11 - CH4 2.557e-11 2.780e-11 -10.592 -10.556 0.036 35.46 +C(-4) 2.656e-11 + CH4 2.656e-11 2.888e-11 -10.576 -10.539 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -123099,14 +122455,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.846e-11 - H2 9.229e-12 1.003e-11 -11.035 -10.999 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.863e-11 + H2 9.317e-12 1.013e-11 -11.031 -10.994 0.036 28.61 Hto 1.264e-21 Hto 1.264e-21 1.264e-21 -20.898 -20.898 0.000 (0) I 1.480e-22 @@ -123121,21 +122477,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 2.104e-25 - Nat+ 2.104e-25 2.104e-25 -24.677 -24.677 -0.000 (0) +Nat 2.103e-25 + Nat+ 2.103e-25 2.103e-25 -24.677 -24.677 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 -S(-2) 4.007e-08 - HS- 2.803e-08 1.845e-08 -7.552 -7.734 -0.182 21.14 - H2S 1.205e-08 1.310e-08 -7.919 -7.883 0.036 36.27 - S-2 1.138e-13 2.744e-14 -12.944 -13.562 -0.618 (0) - (H2S)2 8.316e-18 9.041e-18 -17.080 -17.044 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 +S(-2) 4.162e-08 + HS- 2.911e-08 1.916e-08 -7.536 -7.718 -0.182 21.14 + H2S 1.251e-08 1.360e-08 -7.903 -7.866 0.036 36.27 + S-2 1.182e-13 2.850e-14 -12.927 -13.545 -0.618 (0) + (H2S)2 8.969e-18 9.751e-18 -17.047 -17.011 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -123145,7 +122500,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -123162,21 +122517,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -123200,7 +122555,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.396e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -123210,7 +122565,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -123219,10 +122574,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 4.8780e-24 - I 4.3255e-37 + Hto 4.8766e-24 + I 4.3264e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -123244,7 +122599,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.134e-23 4.870e-24 + Hto 4.133e-23 4.869e-24 I 3.672e-24 4.326e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -123255,18 +122610,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.053e-10 + Electrical balance (eq) = -5.540e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -123280,15 +122635,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.557e-11 - CH4 2.557e-11 2.780e-11 -10.592 -10.556 0.036 35.46 +C(-4) 2.656e-11 + CH4 2.656e-11 2.888e-11 -10.576 -10.539 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -123299,16 +122654,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.846e-11 - H2 9.229e-12 1.003e-11 -11.035 -10.999 0.036 28.61 -Hto 4.134e-23 - Hto 4.134e-23 4.134e-23 -22.384 -22.384 0.000 (0) + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.863e-11 + H2 9.317e-12 1.013e-11 -11.031 -10.994 0.036 28.61 +Hto 4.133e-23 + Hto 4.133e-23 4.133e-23 -22.384 -22.384 0.000 (0) I 3.672e-24 I- 3.672e-24 3.672e-24 -23.435 -23.435 -0.000 (0) K 1.540e-03 @@ -123321,19 +122676,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 -S(-2) 4.007e-08 - HS- 2.803e-08 1.845e-08 -7.552 -7.734 -0.182 21.14 - H2S 1.205e-08 1.310e-08 -7.919 -7.883 0.036 36.27 - S-2 1.138e-13 2.744e-14 -12.944 -13.562 -0.618 (0) - (H2S)2 8.316e-18 9.041e-18 -17.080 -17.044 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 +S(-2) 4.162e-08 + HS- 2.911e-08 1.916e-08 -7.536 -7.718 -0.182 21.14 + H2S 1.251e-08 1.360e-08 -7.903 -7.866 0.036 36.27 + S-2 1.182e-13 2.850e-14 -12.927 -13.545 -0.618 (0) + (H2S)2 8.969e-18 9.751e-18 -17.047 -17.011 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -123343,7 +122697,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -123360,21 +122714,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -123398,7 +122752,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.396e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -123408,7 +122762,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -123417,7 +122771,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6618e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -123449,18 +122803,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.053e-10 + Electrical balance (eq) = -5.540e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -123474,15 +122828,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.557e-11 - CH4 2.557e-11 2.780e-11 -10.592 -10.556 0.036 35.46 +C(-4) 2.656e-11 + CH4 2.656e-11 2.888e-11 -10.576 -10.539 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -123493,14 +122847,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.846e-11 - H2 9.229e-12 1.003e-11 -11.035 -10.999 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.863e-11 + H2 9.317e-12 1.013e-11 -11.031 -10.994 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -123511,19 +122865,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 -S(-2) 4.007e-08 - HS- 2.803e-08 1.845e-08 -7.552 -7.734 -0.182 21.14 - H2S 1.205e-08 1.310e-08 -7.919 -7.883 0.036 36.27 - S-2 1.138e-13 2.744e-14 -12.944 -13.562 -0.618 (0) - (H2S)2 8.316e-18 9.041e-18 -17.080 -17.044 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 +S(-2) 4.162e-08 + HS- 2.911e-08 1.916e-08 -7.536 -7.718 -0.182 21.14 + H2S 1.251e-08 1.360e-08 -7.903 -7.866 0.036 36.27 + S-2 1.182e-13 2.850e-14 -12.927 -13.545 -0.618 (0) + (H2S)2 8.969e-18 9.751e-18 -17.047 -17.011 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -123533,7 +122886,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -123550,21 +122903,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -123588,7 +122941,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.396e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -123598,7 +122951,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -123607,7 +122960,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6618e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -123639,18 +122992,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.056e-10 + Electrical balance (eq) = -5.540e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -123664,15 +123017,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.557e-11 - CH4 2.557e-11 2.780e-11 -10.592 -10.556 0.036 35.46 +C(-4) 2.656e-11 + CH4 2.656e-11 2.888e-11 -10.576 -10.539 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -123683,14 +123036,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.846e-11 - H2 9.229e-12 1.003e-11 -11.035 -10.999 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.863e-11 + H2 9.317e-12 1.013e-11 -11.031 -10.994 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -123701,19 +123054,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 -S(-2) 4.007e-08 - HS- 2.803e-08 1.845e-08 -7.552 -7.734 -0.182 21.14 - H2S 1.205e-08 1.310e-08 -7.919 -7.883 0.036 36.27 - S-2 1.138e-13 2.744e-14 -12.944 -13.562 -0.618 (0) - (H2S)2 8.316e-18 9.042e-18 -17.080 -17.044 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 +S(-2) 4.162e-08 + HS- 2.911e-08 1.916e-08 -7.536 -7.718 -0.182 21.14 + H2S 1.251e-08 1.360e-08 -7.903 -7.866 0.036 36.27 + S-2 1.182e-13 2.850e-14 -12.927 -13.545 -0.618 (0) + (H2S)2 8.969e-18 9.751e-18 -17.047 -17.011 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -123723,7 +123075,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -123740,21 +123092,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -123784,18 +123136,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -123809,8 +123161,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -123834,8 +123186,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -123855,16 +123207,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -123891,21 +123242,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -123933,18 +123284,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -123958,8 +123309,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -123983,8 +123334,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -124004,16 +123355,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -124040,21 +123390,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -124091,18 +123441,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -2.999 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -2.996 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.977e-12 + Electrical balance (eq) = -9.299e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -124116,8 +123466,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.194e-12 - CH4 1.194e-12 1.299e-12 -11.923 -11.887 0.036 35.46 +C(-4) 1.114e-12 + CH4 1.114e-12 1.211e-12 -11.953 -11.917 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -124141,8 +123491,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.579e-12 - H2 4.289e-12 4.664e-12 -11.368 -11.331 0.036 28.61 +H(0) 8.430e-12 + H2 4.215e-12 4.583e-12 -11.375 -11.339 0.036 28.61 Hto 5.792e-07 Hto 5.792e-07 5.792e-07 -6.237 -6.237 0.000 (0) I 7.448e-07 @@ -124162,16 +123512,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.392e-07 Nat+ 3.392e-07 3.392e-07 -6.470 -6.470 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.763 -69.726 0.036 30.40 -S(-2) 1.873e-09 - HS- 1.309e-09 8.618e-10 -8.883 -9.065 -0.182 21.14 - H2S 5.633e-10 6.125e-10 -9.249 -9.213 0.036 36.27 - S-2 5.313e-15 1.281e-15 -14.275 -14.893 -0.618 (0) - (H2S)2 1.818e-20 1.977e-20 -19.740 -19.704 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.747 -69.711 0.036 30.40 +S(-2) 1.746e-09 + HS- 1.221e-09 8.037e-10 -8.913 -9.095 -0.182 21.14 + H2S 5.253e-10 5.711e-10 -9.280 -9.243 0.036 36.27 + S-2 4.954e-15 1.194e-15 -14.305 -14.923 -0.618 (0) + (H2S)2 1.581e-20 1.719e-20 -19.801 -19.765 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -124198,21 +123547,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.08 -11.89 -2.80 CH4 + CH4(g) -9.11 -11.92 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.23 -11.33 -3.10 H2 + H2(g) -8.24 -11.34 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.22 -16.15 -7.94 H2S + H2S(g) -8.25 -16.18 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.83 -69.73 -2.89 O2 + O2(g) -66.82 -69.71 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.91 -1.03 4.88 S + Sulfur -5.94 -1.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -124236,7 +123585,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.374e-14 Surface + diffuse layer charge, eq + -4.458e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -124246,7 +123595,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -124258,7 +123607,7 @@ Su Cl 4.6658e-10 H 1.2947e-04 Hto 5.6964e-08 - I 7.3824e-20 + I 7.3811e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -124293,18 +123642,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.074 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.073 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.949e-09 + Electrical balance (eq) = 1.682e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -124318,8 +123667,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.737e-12 - CH4 4.737e-12 5.151e-12 -11.324 -11.288 0.036 35.46 +C(-4) 4.629e-12 + CH4 4.629e-12 5.033e-12 -11.335 -11.298 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -124343,8 +123692,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.211e-11 - H2 6.053e-12 6.582e-12 -11.218 -11.182 0.036 28.61 +H(0) 1.204e-11 + H2 6.019e-12 6.544e-12 -11.221 -11.184 0.036 28.61 Hto 4.827e-07 Hto 4.827e-07 4.827e-07 -6.316 -6.316 0.000 (0) I 6.265e-07 @@ -124364,16 +123713,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.914e-07 Nat+ 2.914e-07 2.914e-07 -6.535 -6.535 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.062 -70.025 0.036 30.40 -S(-2) 7.426e-09 - HS- 5.192e-09 3.418e-09 -8.285 -8.466 -0.182 21.14 - H2S 2.234e-09 2.429e-09 -8.651 -8.615 0.036 36.27 - S-2 2.107e-14 5.080e-15 -13.676 -14.294 -0.618 (0) - (H2S)2 2.859e-19 3.109e-19 -18.544 -18.507 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.057 -70.020 0.036 30.40 +S(-2) 7.257e-09 + HS- 5.074e-09 3.340e-09 -8.295 -8.476 -0.182 21.14 + H2S 2.183e-09 2.373e-09 -8.661 -8.625 0.036 36.27 + S-2 2.059e-14 4.964e-15 -13.686 -14.304 -0.618 (0) + (H2S)2 2.730e-19 2.968e-19 -18.564 -18.528 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -124400,21 +123748,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.49 -11.29 -2.80 CH4 + CH4(g) -8.50 -11.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.08 -11.18 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.62 -15.56 -7.94 H2S + H2S(g) -7.63 -15.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.13 -70.03 -2.89 O2 + O2(g) -67.13 -70.02 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.46 -0.58 4.88 S + Sulfur -5.47 -0.59 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -124438,7 +123786,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.270e-11 Surface + diffuse layer charge, eq + -9.264e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -124448,7 +123796,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -124459,12 +123807,12 @@ Su Ca 7.1884e-02 Cl 4.6630e-10 H 1.2949e-04 - Hto 3.0504e-08 - I 3.5953e-20 + Hto 3.0503e-08 + I 3.5946e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.5699e-08 + Nat 7.5698e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -124488,7 +123836,7 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.288e-07 1.518e-08 + Nat 1.288e-07 1.517e-08 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 @@ -124496,17 +123844,17 @@ Su pH = 7.090 Charge balance pe = -3.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.915e-10 + Electrical balance (eq) = 3.978e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -124520,8 +123868,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.942e-11 - CH4 1.942e-11 2.111e-11 -10.712 -10.675 0.036 35.46 +C(-4) 1.930e-11 + CH4 1.930e-11 2.099e-11 -10.714 -10.678 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -124545,8 +123893,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.723e-11 - H2 8.614e-12 9.366e-12 -11.065 -11.028 0.036 28.61 +H(0) 1.720e-11 + H2 8.601e-12 9.352e-12 -11.065 -11.029 0.036 28.61 Hto 2.585e-07 Hto 2.585e-07 2.585e-07 -6.588 -6.588 0.000 (0) I 3.051e-07 @@ -124566,16 +123914,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.288e-07 Nat+ 1.288e-07 1.288e-07 -6.890 -6.890 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.368 -70.332 0.036 30.40 -S(-2) 3.043e-08 - HS- 2.128e-08 1.401e-08 -7.672 -7.854 -0.182 21.14 - H2S 9.151e-09 9.949e-09 -8.039 -8.002 0.036 36.27 - S-2 8.643e-14 2.083e-14 -13.063 -13.681 -0.618 (0) - (H2S)2 4.797e-18 5.216e-18 -17.319 -17.283 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.367 -70.331 0.036 30.40 +S(-2) 3.025e-08 + HS- 2.115e-08 1.393e-08 -7.675 -7.856 -0.182 21.14 + H2S 9.096e-09 9.889e-09 -8.041 -8.005 0.036 36.27 + S-2 8.591e-14 2.071e-14 -13.066 -13.684 -0.618 (0) + (H2S)2 4.740e-18 5.153e-18 -17.324 -17.288 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -124602,21 +123949,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.87 -10.68 -2.80 CH4 + CH4(g) -7.88 -10.68 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.93 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.01 -14.94 -7.94 H2S + H2S(g) -7.01 -14.95 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.44 -70.33 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.01 -0.12 4.88 S + Sulfur -5.01 -0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -124640,7 +123987,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.427e-11 Surface + diffuse layer charge, eq + -9.430e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -124650,7 +123997,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -124662,11 +124009,11 @@ Su Cl 4.6621e-10 H 1.2949e-04 Hto 1.2490e-08 - I 1.3119e-20 + I 1.3121e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2449e-08 + Nat 2.2448e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -124698,17 +124045,17 @@ Su pH = 7.090 Charge balance pe = -3.164 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.980e-10 + Electrical balance (eq) = -6.484e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -124720,10 +124067,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.441e-11 - CH4 2.441e-11 2.654e-11 -10.612 -10.576 0.036 35.46 +C(-4) 2.471e-11 + CH4 2.471e-11 2.686e-11 -10.607 -10.571 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -124747,8 +124094,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.824e-11 - H2 9.122e-12 9.918e-12 -11.040 -11.004 0.036 28.61 +H(0) 1.830e-11 + H2 9.150e-12 9.948e-12 -11.039 -11.002 0.036 28.61 Hto 1.058e-07 Hto 1.058e-07 1.058e-07 -6.975 -6.975 0.000 (0) I 1.114e-07 @@ -124768,16 +124115,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 3.820e-08 Nat+ 3.820e-08 3.820e-08 -7.418 -7.418 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.418 -70.382 0.036 30.40 -S(-2) 3.825e-08 - HS- 2.675e-08 1.761e-08 -7.573 -7.754 -0.182 21.14 - H2S 1.150e-08 1.250e-08 -7.939 -7.903 0.036 36.27 - S-2 1.087e-13 2.619e-14 -12.964 -13.582 -0.618 (0) - (H2S)2 7.578e-18 8.239e-18 -17.120 -17.084 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.421 -70.384 0.036 30.40 +S(-2) 3.872e-08 + HS- 2.708e-08 1.783e-08 -7.567 -7.749 -0.182 21.14 + H2S 1.164e-08 1.266e-08 -7.934 -7.898 0.036 36.27 + S-2 1.100e-13 2.652e-14 -12.959 -13.577 -0.618 (0) + (H2S)2 7.764e-18 8.442e-18 -17.110 -17.074 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -124804,14 +124150,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.77 -10.58 -2.80 CH4 + CH4(g) -7.77 -10.57 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.91 -14.84 -7.94 H2S + H2S(g) -6.90 -14.84 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -124842,7 +124188,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.428e-11 Surface + diffuse layer charge, eq + -9.448e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -124852,7 +124198,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -124861,14 +124207,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6617e-10 H 1.2949e-04 - Hto 4.0182e-09 + Hto 4.0181e-09 I 3.7099e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8656e-09 + Nat 4.8653e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -124892,25 +124238,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.279e-09 9.754e-10 + Nat 8.279e-09 9.753e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.169 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.023e-10 + Electrical balance (eq) = -6.507e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -124924,8 +124270,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.600e-11 - CH4 2.600e-11 2.827e-11 -10.585 -10.549 0.036 35.46 +C(-4) 2.671e-11 + CH4 2.671e-11 2.904e-11 -10.573 -10.537 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -124949,8 +124295,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.853e-11 - H2 9.267e-12 1.008e-11 -11.033 -10.997 0.036 28.61 +H(0) 1.866e-11 + H2 9.330e-12 1.014e-11 -11.030 -10.994 0.036 28.61 Hto 3.405e-08 Hto 3.405e-08 3.405e-08 -7.468 -7.468 0.000 (0) I 3.149e-08 @@ -124965,23 +124311,22 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 8.279e-09 Nat+ 8.279e-09 8.279e-09 -8.082 -8.082 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.432 -70.395 0.036 30.40 -S(-2) 4.075e-08 - HS- 2.850e-08 1.876e-08 -7.545 -7.727 -0.182 21.14 - H2S 1.225e-08 1.332e-08 -7.912 -7.876 0.036 36.27 - S-2 1.158e-13 2.790e-14 -12.936 -13.554 -0.618 (0) - (H2S)2 8.598e-18 9.347e-18 -17.066 -17.029 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.437 -70.401 0.036 30.40 +S(-2) 4.185e-08 + HS- 2.927e-08 1.927e-08 -7.534 -7.715 -0.182 21.14 + H2S 1.258e-08 1.368e-08 -7.900 -7.864 0.036 36.27 + S-2 1.189e-13 2.866e-14 -12.925 -13.543 -0.618 (0) + (H2S)2 9.071e-18 9.862e-18 -17.042 -17.006 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -125006,21 +124351,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.55 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.88 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.40 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -125044,7 +124389,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.410e-11 Surface + diffuse layer charge, eq + -9.438e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -125054,7 +124399,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -125063,14 +124408,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 1.0411e-09 + Hto 1.0410e-09 I 8.3649e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.1364e-10 + Nat 8.1357e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -125089,7 +124434,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.823e-09 1.039e-09 + Hto 8.822e-09 1.039e-09 I 7.099e-09 8.363e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -125101,18 +124446,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.005e-10 + Electrical balance (eq) = -6.492e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -125123,38 +124468,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.643e-11 - CH4 2.643e-11 2.874e-11 -10.578 -10.542 0.036 35.46 +C(-4) 2.734e-11 + CH4 2.734e-11 2.972e-11 -10.563 -10.527 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.861e-11 - H2 9.305e-12 1.012e-11 -11.031 -10.995 0.036 28.61 -Hto 8.823e-09 - Hto 8.823e-09 8.823e-09 -8.054 -8.054 0.000 (0) +H(0) 1.877e-11 + H2 9.384e-12 1.020e-11 -11.028 -10.991 0.036 28.61 +Hto 8.822e-09 + Hto 8.822e-09 8.822e-09 -8.054 -8.054 0.000 (0) I 7.099e-09 I- 7.099e-09 7.099e-09 -8.149 -8.149 -0.000 (0) K 1.540e-03 @@ -125166,22 +124511,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.384e-09 Nat+ 1.384e-09 1.384e-09 -8.859 -8.859 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.435 -70.399 0.036 30.40 -S(-2) 4.142e-08 - HS- 2.897e-08 1.907e-08 -7.538 -7.720 -0.182 21.14 - H2S 1.245e-08 1.354e-08 -7.905 -7.868 0.036 36.27 - S-2 1.177e-13 2.837e-14 -12.929 -13.547 -0.618 (0) - (H2S)2 8.884e-18 9.659e-18 -17.051 -17.015 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.443 -70.406 0.036 30.40 +S(-2) 4.284e-08 + HS- 2.996e-08 1.972e-08 -7.523 -7.705 -0.182 21.14 + H2S 1.288e-08 1.400e-08 -7.890 -7.854 0.036 36.27 + S-2 1.217e-13 2.934e-14 -12.915 -13.533 -0.618 (0) + (H2S)2 9.503e-18 1.033e-17 -17.022 -16.986 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -125196,7 +124540,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -125208,21 +124552,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.73 -10.53 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.80 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.51 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -125246,7 +124590,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.400e-11 Surface + diffuse layer charge, eq + -9.428e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -125256,7 +124600,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -125265,14 +124609,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 2.2168e-10 + Hto 2.2167e-10 I 1.5393e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0883e-10 + Nat 1.0881e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -125296,25 +124640,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.852e-10 2.182e-11 + Nat 1.852e-10 2.181e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.992e-10 + Electrical balance (eq) = -6.483e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -125325,36 +124669,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.646e-11 - CH4 2.646e-11 2.877e-11 -10.577 -10.541 0.036 35.46 +C(-4) 2.743e-11 + CH4 2.743e-11 2.982e-11 -10.562 -10.525 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.862e-11 - H2 9.308e-12 1.012e-11 -11.031 -10.995 0.036 28.61 +H(0) 1.878e-11 + H2 9.392e-12 1.021e-11 -11.027 -10.991 0.036 28.61 Hto 1.879e-09 Hto 1.879e-09 1.879e-09 -8.726 -8.726 0.000 (0) I 1.307e-09 @@ -125368,22 +124712,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.852e-10 Nat+ 1.852e-10 1.852e-10 -9.732 -9.732 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.435 -70.399 0.036 30.40 -S(-2) 4.147e-08 - HS- 2.900e-08 1.909e-08 -7.538 -7.719 -0.182 21.14 - H2S 1.247e-08 1.355e-08 -7.904 -7.868 0.036 36.27 - S-2 1.178e-13 2.840e-14 -12.929 -13.547 -0.618 (0) - (H2S)2 8.903e-18 9.680e-18 -17.050 -17.014 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.443 -70.407 0.036 30.40 +S(-2) 4.298e-08 + HS- 3.006e-08 1.979e-08 -7.522 -7.704 -0.182 21.14 + H2S 1.292e-08 1.405e-08 -7.889 -7.852 0.036 36.27 + S-2 1.221e-13 2.944e-14 -12.913 -13.531 -0.618 (0) + (H2S)2 9.567e-18 1.040e-17 -17.019 -16.983 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -125398,7 +124741,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -125410,21 +124753,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.53 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.51 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -125448,7 +124791,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.393e-11 Surface + diffuse layer charge, eq + -9.421e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -125458,7 +124801,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -125467,14 +124810,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 3.9424e-11 + Hto 3.9421e-11 I 2.3546e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1939e-11 + Nat 1.1937e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -125505,18 +124848,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.987e-10 + Electrical balance (eq) = -6.476e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -125527,20 +124870,20 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.626e-11 - CH4 2.626e-11 2.855e-11 -10.581 -10.544 0.036 35.46 +C(-4) 2.725e-11 + CH4 2.725e-11 2.962e-11 -10.565 -10.528 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 @@ -125549,14 +124892,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.858e-11 - H2 9.291e-12 1.010e-11 -11.032 -10.996 0.036 28.61 +H(0) 1.875e-11 + H2 9.376e-12 1.019e-11 -11.028 -10.992 0.036 28.61 Hto 3.341e-10 Hto 3.341e-10 3.341e-10 -9.476 -9.476 0.000 (0) I 1.999e-10 @@ -125570,22 +124913,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.031e-11 Nat+ 2.031e-11 2.031e-11 -10.692 -10.692 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.434 -70.398 0.036 30.40 -S(-2) 4.116e-08 - HS- 2.878e-08 1.895e-08 -7.541 -7.722 -0.182 21.14 - H2S 1.237e-08 1.345e-08 -7.908 -7.871 0.036 36.27 - S-2 1.169e-13 2.818e-14 -12.932 -13.550 -0.618 (0) - (H2S)2 8.771e-18 9.536e-18 -17.057 -17.021 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.442 -70.405 0.036 30.40 +S(-2) 4.270e-08 + HS- 2.986e-08 1.966e-08 -7.525 -7.706 -0.182 21.14 + H2S 1.284e-08 1.396e-08 -7.892 -7.855 0.036 36.27 + S-2 1.213e-13 2.924e-14 -12.916 -13.534 -0.618 (0) + (H2S)2 9.439e-18 1.026e-17 -17.025 -16.989 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -125612,21 +124954,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.73 -10.53 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.88 -14.81 -7.94 H2S + H2S(g) -6.86 -14.80 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.51 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.03 4.88 S + Sulfur -4.90 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -125650,7 +124992,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.381e-11 Surface + diffuse layer charge, eq + -9.409e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -125660,7 +125002,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -125669,14 +125011,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6617e-10 H 1.2949e-04 - Hto 5.9298e-12 + Hto 5.9292e-12 I 3.0357e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0938e-12 + Nat 1.0936e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -125700,26 +125042,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.861e-12 2.193e-13 + Nat 1.861e-12 2.192e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.169 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.166e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.339e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -125732,8 +125074,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.592e-11 - CH4 2.592e-11 2.818e-11 -10.586 -10.550 0.036 35.46 +C(-4) 2.691e-11 + CH4 2.691e-11 2.926e-11 -10.570 -10.534 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -125757,8 +125099,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.852e-11 - H2 9.260e-12 1.007e-11 -11.033 -10.997 0.036 28.61 +H(0) 1.869e-11 + H2 9.347e-12 1.016e-11 -11.029 -10.993 0.036 28.61 Hto 5.025e-11 Hto 5.025e-11 5.025e-11 -10.299 -10.299 0.000 (0) I 2.577e-11 @@ -125773,21 +125115,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.861e-12 Nat+ 1.861e-12 1.861e-12 -11.730 -11.730 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.431 -70.395 0.036 30.40 -S(-2) 4.062e-08 - HS- 2.841e-08 1.870e-08 -7.547 -7.728 -0.182 21.14 - H2S 1.221e-08 1.328e-08 -7.913 -7.877 0.036 36.27 - S-2 1.154e-13 2.782e-14 -12.938 -13.556 -0.618 (0) - (H2S)2 8.545e-18 9.290e-18 -17.068 -17.032 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.439 -70.403 0.036 30.40 +S(-2) 4.217e-08 + HS- 2.949e-08 1.941e-08 -7.530 -7.712 -0.182 21.14 + H2S 1.268e-08 1.378e-08 -7.897 -7.861 0.036 36.27 + S-2 1.198e-13 2.888e-14 -12.922 -13.539 -0.618 (0) + (H2S)2 9.206e-18 1.001e-17 -17.036 -17.000 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -125814,21 +125155,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.55 -2.80 CH4 + CH4(g) -7.73 -10.53 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.88 -14.82 -7.94 H2S + H2S(g) -6.87 -14.80 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -125852,7 +125193,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.372e-11 Surface + diffuse layer charge, eq + -9.400e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -125862,7 +125203,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -125871,14 +125212,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6617e-10 H 1.2949e-04 - Hto 7.6179e-13 + Hto 7.6170e-13 I 3.3337e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.4814e-14 + Nat 8.4797e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -125897,7 +125238,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.456e-12 7.606e-13 + Hto 6.455e-12 7.605e-13 I 2.830e-12 3.334e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -125909,19 +125250,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.654e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.324e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -125934,15 +125275,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.569e-11 - CH4 2.569e-11 2.793e-11 -10.590 -10.554 0.036 35.46 +C(-4) 2.668e-11 + CH4 2.668e-11 2.901e-11 -10.574 -10.538 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -125953,16 +125294,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.848e-11 - H2 9.240e-12 1.005e-11 -11.034 -10.998 0.036 28.61 -Hto 6.456e-12 - Hto 6.456e-12 6.456e-12 -11.190 -11.190 0.000 (0) +H(0) 1.865e-11 + H2 9.327e-12 1.014e-11 -11.030 -10.994 0.036 28.61 +Hto 6.455e-12 + Hto 6.455e-12 6.455e-12 -11.190 -11.190 0.000 (0) I 2.830e-12 I- 2.830e-12 2.830e-12 -11.548 -11.548 -0.000 (0) K 1.540e-03 @@ -125975,21 +125316,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.443e-13 Nat+ 1.443e-13 1.443e-13 -12.841 -12.841 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.429 -70.393 0.036 30.40 -S(-2) 4.026e-08 - HS- 2.816e-08 1.854e-08 -7.550 -7.732 -0.182 21.14 - H2S 1.210e-08 1.316e-08 -7.917 -7.881 0.036 36.27 - S-2 1.144e-13 2.757e-14 -12.942 -13.560 -0.618 (0) - (H2S)2 8.394e-18 9.126e-18 -17.076 -17.040 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.437 -70.401 0.036 30.40 +S(-2) 4.181e-08 + HS- 2.924e-08 1.925e-08 -7.534 -7.716 -0.182 21.14 + H2S 1.257e-08 1.366e-08 -7.901 -7.864 0.036 36.27 + S-2 1.188e-13 2.863e-14 -12.925 -13.543 -0.618 (0) + (H2S)2 9.050e-18 9.839e-18 -17.043 -17.007 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -126016,21 +125356,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.55 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -126054,7 +125394,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.369e-11 Surface + diffuse layer charge, eq + -9.397e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -126064,7 +125404,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -126073,14 +125413,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6618e-10 H 1.2949e-04 - Hto 8.4218e-14 - I 3.1447e-26 + Hto 8.4207e-14 + I 3.1453e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.6211e-15 + Nat 5.6198e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -126099,30 +125439,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.137e-13 8.408e-14 + Hto 7.136e-13 8.407e-14 I 2.669e-13 3.144e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.565e-15 1.127e-15 + Nat 9.563e-15 1.127e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.906e-10 + Electrical balance (eq) = -5.393e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -126136,15 +125476,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.561e-11 - CH4 2.561e-11 2.785e-11 -10.592 -10.555 0.036 35.46 +C(-4) 2.660e-11 + CH4 2.660e-11 2.892e-11 -10.575 -10.539 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -126155,16 +125495,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.846e-11 - H2 9.232e-12 1.004e-11 -11.035 -10.998 0.036 28.61 -Hto 7.137e-13 - Hto 7.137e-13 7.137e-13 -12.146 -12.146 0.000 (0) +H(0) 1.864e-11 + H2 9.320e-12 1.013e-11 -11.031 -10.994 0.036 28.61 +Hto 7.136e-13 + Hto 7.136e-13 7.136e-13 -12.147 -12.147 0.000 (0) I 2.669e-13 I- 2.669e-13 2.669e-13 -12.574 -12.574 -0.000 (0) K 1.540e-03 @@ -126177,21 +125517,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 9.565e-15 - Nat+ 9.565e-15 9.565e-15 -14.019 -14.019 -0.000 (0) +Nat 9.563e-15 + Nat+ 9.563e-15 9.563e-15 -14.019 -14.019 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 -S(-2) 4.014e-08 - HS- 2.807e-08 1.848e-08 -7.552 -7.733 -0.182 21.14 - H2S 1.207e-08 1.312e-08 -7.918 -7.882 0.036 36.27 - S-2 1.140e-13 2.748e-14 -12.943 -13.561 -0.618 (0) - (H2S)2 8.342e-18 9.069e-18 -17.079 -17.042 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.437 -70.400 0.036 30.40 +S(-2) 4.168e-08 + HS- 2.915e-08 1.919e-08 -7.535 -7.717 -0.182 21.14 + H2S 1.253e-08 1.362e-08 -7.902 -7.866 0.036 36.27 + S-2 1.184e-13 2.854e-14 -12.927 -13.544 -0.618 (0) + (H2S)2 8.996e-18 9.780e-18 -17.046 -17.010 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -126201,7 +125540,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -126218,21 +125557,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.56 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -126256,7 +125595,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.368e-11 Surface + diffuse layer charge, eq + -9.397e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -126266,7 +125605,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -126275,14 +125614,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6617e-10 H 1.2949e-04 - Hto 8.0579e-15 - I 2.5630e-27 + Hto 8.0567e-15 + I 2.5626e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2074e-16 + Nat 3.2066e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -126301,30 +125640,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.829e-14 8.045e-15 + Hto 6.828e-14 8.044e-15 I 2.175e-14 2.563e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.458e-16 6.430e-17 + Nat 5.456e-16 6.428e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.049e-10 + Electrical balance (eq) = -5.535e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -126338,15 +125677,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.565e-11 - CH4 2.565e-11 2.789e-11 -10.591 -10.555 0.036 35.46 +C(-4) 2.663e-11 + CH4 2.663e-11 2.896e-11 -10.575 -10.538 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -126357,16 +125696,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.847e-11 - H2 9.236e-12 1.004e-11 -11.035 -10.998 0.036 28.61 -Hto 6.829e-14 - Hto 6.829e-14 6.829e-14 -13.166 -13.166 0.000 (0) +H(0) 1.865e-11 + H2 9.323e-12 1.014e-11 -11.030 -10.994 0.036 28.61 +Hto 6.828e-14 + Hto 6.828e-14 6.828e-14 -13.166 -13.166 0.000 (0) I 2.175e-14 I- 2.175e-14 2.175e-14 -13.663 -13.663 -0.000 (0) K 1.540e-03 @@ -126379,21 +125718,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 5.458e-16 - Nat+ 5.458e-16 5.458e-16 -15.263 -15.263 -0.000 (0) +Nat 5.456e-16 + Nat+ 5.456e-16 5.456e-16 -15.263 -15.263 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.429 -70.392 0.036 30.40 -S(-2) 4.019e-08 - HS- 2.811e-08 1.850e-08 -7.551 -7.733 -0.182 21.14 - H2S 1.208e-08 1.314e-08 -7.918 -7.881 0.036 36.27 - S-2 1.142e-13 2.752e-14 -12.942 -13.560 -0.618 (0) - (H2S)2 8.365e-18 9.095e-18 -17.078 -17.041 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.437 -70.401 0.036 30.40 +S(-2) 4.174e-08 + HS- 2.919e-08 1.922e-08 -7.535 -7.716 -0.182 21.14 + H2S 1.255e-08 1.364e-08 -7.901 -7.865 0.036 36.27 + S-2 1.186e-13 2.858e-14 -12.926 -13.544 -0.618 (0) + (H2S)2 9.020e-18 9.807e-18 -17.045 -17.008 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -126420,21 +125758,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.55 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.82 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -126458,7 +125796,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.375e-11 Surface + diffuse layer charge, eq + -9.403e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -126468,7 +125806,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -126477,14 +125815,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6619e-10 + Cl 4.6617e-10 H 1.2949e-04 - Hto 6.6996e-16 - I 1.8127e-28 + Hto 6.6985e-16 + I 1.8124e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5839e-17 + Nat 1.5835e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -126503,30 +125841,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.678e-15 6.689e-16 + Hto 5.677e-15 6.688e-16 I 1.539e-15 1.813e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.695e-17 3.175e-18 + Nat 2.694e-17 3.174e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.169 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.287e-09 + Electrical balance (eq) = 9.382e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -126540,8 +125878,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.586e-11 - CH4 2.586e-11 2.812e-11 -10.587 -10.551 0.036 35.46 +C(-4) 2.685e-11 + CH4 2.685e-11 2.919e-11 -10.571 -10.535 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -126565,10 +125903,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.851e-11 - H2 9.255e-12 1.006e-11 -11.034 -10.997 0.036 28.61 -Hto 5.678e-15 - Hto 5.678e-15 5.678e-15 -14.246 -14.246 0.000 (0) +H(0) 1.868e-11 + H2 9.342e-12 1.016e-11 -11.030 -10.993 0.036 28.61 +Hto 5.677e-15 + Hto 5.677e-15 5.677e-15 -14.246 -14.246 0.000 (0) I 1.539e-15 I- 1.539e-15 1.539e-15 -14.813 -14.813 -0.000 (0) K 1.540e-03 @@ -126581,21 +125919,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) -Nat 2.695e-17 - Nat+ 2.695e-17 2.695e-17 -16.569 -16.569 -0.000 (0) +Nat 2.694e-17 + Nat+ 2.694e-17 2.694e-17 -16.570 -16.570 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.430 -70.394 0.036 30.40 -S(-2) 4.053e-08 - HS- 2.834e-08 1.866e-08 -7.548 -7.729 -0.182 21.14 - H2S 1.218e-08 1.325e-08 -7.914 -7.878 0.036 36.27 - S-2 1.151e-13 2.775e-14 -12.939 -13.557 -0.618 (0) - (H2S)2 8.505e-18 9.246e-18 -17.070 -17.034 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.439 -70.402 0.036 30.40 +S(-2) 4.207e-08 + HS- 2.942e-08 1.937e-08 -7.531 -7.713 -0.182 21.14 + H2S 1.265e-08 1.375e-08 -7.898 -7.862 0.036 36.27 + S-2 1.195e-13 2.881e-14 -12.923 -13.540 -0.618 (0) + (H2S)2 9.165e-18 9.964e-18 -17.038 -17.002 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -126622,21 +125959,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.55 -2.80 CH4 + CH4(g) -7.73 -10.53 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.88 -14.82 -7.94 H2S + H2S(g) -6.87 -14.80 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.39 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.03 4.88 S + Sulfur -4.90 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -126660,7 +125997,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.386e-11 Surface + diffuse layer charge, eq + -9.414e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -126670,7 +126007,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -126679,14 +126016,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 4.8536e-17 - I 1.1161e-29 + Hto 4.8527e-17 + I 1.1163e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.7936e-19 + Nat 6.7914e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -126705,30 +126042,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.113e-16 4.846e-17 + Hto 4.112e-16 4.845e-17 I 9.473e-17 1.116e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.156e-18 1.362e-19 + Nat 1.156e-18 1.361e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.977e-10 + Electrical balance (eq) = -6.466e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -126739,20 +126076,20 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.628e-11 - CH4 2.628e-11 2.857e-11 -10.580 -10.544 0.036 35.46 +C(-4) 2.726e-11 + CH4 2.726e-11 2.964e-11 -10.564 -10.528 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 @@ -126761,16 +126098,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.858e-11 - H2 9.292e-12 1.010e-11 -11.032 -10.996 0.036 28.61 -Hto 4.113e-16 - Hto 4.113e-16 4.113e-16 -15.386 -15.386 0.000 (0) +H(0) 1.876e-11 + H2 9.378e-12 1.020e-11 -11.028 -10.992 0.036 28.61 +Hto 4.112e-16 + Hto 4.112e-16 4.112e-16 -15.386 -15.386 0.000 (0) I 9.473e-17 I- 9.473e-17 9.473e-17 -16.024 -16.024 -0.000 (0) K 1.540e-03 @@ -126782,22 +126119,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.156e-18 Nat+ 1.156e-18 1.156e-18 -17.937 -17.937 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.434 -70.398 0.036 30.40 -S(-2) 4.118e-08 - HS- 2.880e-08 1.896e-08 -7.541 -7.722 -0.182 21.14 - H2S 1.238e-08 1.346e-08 -7.907 -7.871 0.036 36.27 - S-2 1.170e-13 2.820e-14 -12.932 -13.550 -0.618 (0) - (H2S)2 8.779e-18 9.545e-18 -17.057 -17.020 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.442 -70.406 0.036 30.40 +S(-2) 4.272e-08 + HS- 2.988e-08 1.967e-08 -7.525 -7.706 -0.182 21.14 + H2S 1.284e-08 1.396e-08 -7.891 -7.855 0.036 36.27 + S-2 1.214e-13 2.926e-14 -12.916 -13.534 -0.618 (0) + (H2S)2 9.450e-18 1.027e-17 -17.025 -16.988 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -126824,21 +126160,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.73 -10.53 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.88 -14.81 -7.94 H2S + H2S(g) -6.86 -14.80 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.51 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.03 4.88 S + Sulfur -4.90 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -126862,7 +126198,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.394e-11 Surface + diffuse layer charge, eq + -9.422e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -126872,7 +126208,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -126881,14 +126217,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 3.0682e-18 + Hto 3.0676e-18 I 5.9916e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5359e-20 + Nat 2.5350e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -126912,25 +126248,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.315e-20 5.084e-21 + Nat 4.314e-20 5.082e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.988e-10 + Electrical balance (eq) = -6.478e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -126941,36 +126277,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.651e-11 - CH4 2.651e-11 2.882e-11 -10.577 -10.540 0.036 35.46 +C(-4) 2.750e-11 + CH4 2.750e-11 2.989e-11 -10.561 -10.524 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.862e-11 - H2 9.312e-12 1.012e-11 -11.031 -10.995 0.036 28.61 +H(0) 1.880e-11 + H2 9.398e-12 1.022e-11 -11.027 -10.991 0.036 28.61 Hto 2.600e-17 Hto 2.600e-17 2.600e-17 -16.585 -16.585 0.000 (0) I 5.085e-18 @@ -126984,22 +126320,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.315e-20 - Nat+ 4.315e-20 4.315e-20 -19.365 -19.365 -0.000 (0) +Nat 4.314e-20 + Nat+ 4.314e-20 4.314e-20 -19.365 -19.365 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 -S(-2) 4.154e-08 - HS- 2.905e-08 1.913e-08 -7.537 -7.718 -0.182 21.14 - H2S 1.249e-08 1.358e-08 -7.903 -7.867 0.036 36.27 - S-2 1.180e-13 2.845e-14 -12.928 -13.546 -0.618 (0) - (H2S)2 8.936e-18 9.715e-18 -17.049 -17.013 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.444 -70.407 0.036 30.40 +S(-2) 4.309e-08 + HS- 3.013e-08 1.984e-08 -7.521 -7.703 -0.182 21.14 + H2S 1.295e-08 1.408e-08 -7.888 -7.851 0.036 36.27 + S-2 1.224e-13 2.951e-14 -12.912 -13.530 -0.618 (0) + (H2S)2 9.612e-18 1.045e-17 -17.017 -16.981 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -127014,7 +126349,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -127026,21 +126361,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -127064,7 +126399,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.396e-11 Surface + diffuse layer charge, eq + -9.424e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -127074,7 +126409,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -127083,14 +126418,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 1.6928e-19 + Hto 1.6924e-19 I 2.8052e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.2434e-22 + Nat 8.2403e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -127109,30 +126444,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.435e-18 1.690e-19 + Hto 1.434e-18 1.690e-19 I 2.381e-19 2.805e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.403e-21 1.653e-22 + Nat 1.402e-21 1.652e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.991e-10 + Electrical balance (eq) = -6.480e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -127143,38 +126478,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.658e-11 - CH4 2.658e-11 2.890e-11 -10.575 -10.539 0.036 35.46 +C(-4) 2.757e-11 + CH4 2.757e-11 2.997e-11 -10.560 -10.523 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.864e-11 - H2 9.318e-12 1.013e-11 -11.031 -10.994 0.036 28.61 -Hto 1.435e-18 - Hto 1.435e-18 1.435e-18 -17.843 -17.843 0.000 (0) +H(0) 1.881e-11 + H2 9.404e-12 1.022e-11 -11.027 -10.990 0.036 28.61 +Hto 1.434e-18 + Hto 1.434e-18 1.434e-18 -17.843 -17.843 0.000 (0) I 2.381e-19 I- 2.381e-19 2.381e-19 -18.623 -18.623 -0.000 (0) K 1.540e-03 @@ -127186,22 +126521,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.403e-21 - Nat+ 1.403e-21 1.403e-21 -20.853 -20.853 -0.000 (0) +Nat 1.402e-21 + Nat+ 1.402e-21 1.402e-21 -20.853 -20.853 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.436 -70.400 0.036 30.40 -S(-2) 4.165e-08 - HS- 2.913e-08 1.918e-08 -7.536 -7.717 -0.182 21.14 - H2S 1.252e-08 1.361e-08 -7.902 -7.866 0.036 36.27 - S-2 1.183e-13 2.852e-14 -12.927 -13.545 -0.618 (0) - (H2S)2 8.982e-18 9.766e-18 -17.047 -17.010 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.444 -70.408 0.036 30.40 +S(-2) 4.319e-08 + HS- 3.021e-08 1.989e-08 -7.520 -7.701 -0.182 21.14 + H2S 1.299e-08 1.412e-08 -7.887 -7.850 0.036 36.27 + S-2 1.227e-13 2.958e-14 -12.911 -13.529 -0.618 (0) + (H2S)2 9.660e-18 1.050e-17 -17.015 -16.979 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -127216,7 +126550,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -127228,21 +126562,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -127266,7 +126600,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.396e-11 Surface + diffuse layer charge, eq + -9.425e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -127276,7 +126610,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -127285,14 +126619,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 8.1432e-21 - I 1.1441e-33 + Hto 8.1413e-21 + I 1.1443e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.3228e-23 + Nat 2.3218e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -127311,30 +126645,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.901e-20 8.130e-21 + Hto 6.899e-20 8.128e-21 I 9.711e-21 1.144e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.952e-23 4.656e-24 + Nat 3.951e-23 4.655e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.992e-10 + Electrical balance (eq) = -6.480e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -127345,38 +126679,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.659e-11 - CH4 2.659e-11 2.891e-11 -10.575 -10.539 0.036 35.46 +C(-4) 2.758e-11 + CH4 2.758e-11 2.998e-11 -10.559 -10.523 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.864e-11 - H2 9.319e-12 1.013e-11 -11.031 -10.994 0.036 28.61 -Hto 6.901e-20 - Hto 6.901e-20 6.901e-20 -19.161 -19.161 0.000 (0) +H(0) 1.881e-11 + H2 9.405e-12 1.023e-11 -11.027 -10.990 0.036 28.61 +Hto 6.899e-20 + Hto 6.899e-20 6.899e-20 -19.161 -19.161 0.000 (0) I 9.711e-21 I- 9.711e-21 9.711e-21 -20.013 -20.013 -0.000 (0) K 1.540e-03 @@ -127388,22 +126722,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.952e-23 - Nat+ 3.952e-23 3.952e-23 -22.403 -22.403 -0.000 (0) +Nat 3.951e-23 + Nat+ 3.951e-23 3.951e-23 -22.403 -22.403 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.437 -70.400 0.036 30.40 -S(-2) 4.167e-08 - HS- 2.914e-08 1.918e-08 -7.535 -7.717 -0.182 21.14 - H2S 1.253e-08 1.362e-08 -7.902 -7.866 0.036 36.27 - S-2 1.184e-13 2.854e-14 -12.927 -13.545 -0.618 (0) - (H2S)2 8.991e-18 9.775e-18 -17.046 -17.010 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.444 -70.408 0.036 30.40 +S(-2) 4.321e-08 + HS- 3.022e-08 1.990e-08 -7.520 -7.701 -0.182 21.14 + H2S 1.299e-08 1.412e-08 -7.886 -7.850 0.036 36.27 + S-2 1.228e-13 2.960e-14 -12.911 -13.529 -0.618 (0) + (H2S)2 9.669e-18 1.051e-17 -17.015 -16.978 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -127418,7 +126751,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -127430,21 +126763,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -127468,7 +126801,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.397e-11 Surface + diffuse layer charge, eq + -9.424e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -127478,7 +126811,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -127487,14 +126820,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 3.4073e-22 - I 4.0519e-35 + Hto 3.4064e-22 + I 4.0513e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8173e-25 + Nat 3.8157e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -127513,30 +126846,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.888e-21 3.402e-22 + Hto 2.887e-21 3.401e-22 I 3.439e-22 4.051e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.496e-25 7.652e-26 + Nat 6.493e-25 7.649e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.989e-10 + Electrical balance (eq) = -6.480e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -127547,38 +126880,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.659e-11 - CH4 2.659e-11 2.891e-11 -10.575 -10.539 0.036 35.46 +C(-4) 2.758e-11 + CH4 2.758e-11 2.999e-11 -10.559 -10.523 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.864e-11 - H2 9.320e-12 1.013e-11 -11.031 -10.994 0.036 28.61 -Hto 2.888e-21 - Hto 2.888e-21 2.888e-21 -20.539 -20.539 0.000 (0) +H(0) 1.881e-11 + H2 9.405e-12 1.023e-11 -11.027 -10.990 0.036 28.61 +Hto 2.887e-21 + Hto 2.887e-21 2.887e-21 -20.540 -20.540 0.000 (0) I 3.439e-22 I- 3.439e-22 3.439e-22 -21.464 -21.464 -0.000 (0) K 1.540e-03 @@ -127590,22 +126923,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 6.496e-25 - Nat+ 6.496e-25 6.496e-25 -24.187 -24.187 -0.000 (0) +Nat 6.493e-25 + Nat+ 6.493e-25 6.493e-25 -24.188 -24.188 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.437 -70.400 0.036 30.40 -S(-2) 4.167e-08 - HS- 2.914e-08 1.919e-08 -7.535 -7.717 -0.182 21.14 - H2S 1.253e-08 1.362e-08 -7.902 -7.866 0.036 36.27 - S-2 1.184e-13 2.854e-14 -12.927 -13.545 -0.618 (0) - (H2S)2 8.992e-18 9.776e-18 -17.046 -17.010 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.444 -70.408 0.036 30.40 +S(-2) 4.322e-08 + HS- 3.022e-08 1.990e-08 -7.520 -7.701 -0.182 21.14 + H2S 1.299e-08 1.413e-08 -7.886 -7.850 0.036 36.27 + S-2 1.228e-13 2.960e-14 -12.911 -13.529 -0.618 (0) + (H2S)2 9.671e-18 1.051e-17 -17.015 -16.978 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -127620,7 +126952,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -127632,21 +126964,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -127670,7 +127002,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.397e-11 Surface + diffuse layer charge, eq + -9.424e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -127680,7 +127012,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -127689,10 +127021,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 1.2315e-23 - I 1.1917e-36 + Hto 1.2312e-23 + I 1.1918e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -127714,7 +127046,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.044e-22 1.230e-23 + Hto 1.043e-22 1.229e-23 I 1.011e-23 1.192e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -127725,18 +127057,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.990e-10 + Electrical balance (eq) = -6.480e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -127747,38 +127079,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.659e-11 - CH4 2.659e-11 2.891e-11 -10.575 -10.539 0.036 35.46 +C(-4) 2.758e-11 + CH4 2.758e-11 2.999e-11 -10.559 -10.523 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.864e-11 - H2 9.320e-12 1.013e-11 -11.031 -10.994 0.036 28.61 -Hto 1.044e-22 - Hto 1.044e-22 1.044e-22 -21.981 -21.981 0.000 (0) +H(0) 1.881e-11 + H2 9.405e-12 1.023e-11 -11.027 -10.990 0.036 28.61 +Hto 1.043e-22 + Hto 1.043e-22 1.043e-22 -21.982 -21.982 0.000 (0) I 1.011e-23 I- 1.011e-23 1.011e-23 -22.995 -22.995 -0.000 (0) K 1.540e-03 @@ -127790,20 +127122,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.437 -70.400 0.036 30.40 -S(-2) 4.167e-08 - HS- 2.914e-08 1.919e-08 -7.535 -7.717 -0.182 21.14 - H2S 1.253e-08 1.362e-08 -7.902 -7.866 0.036 36.27 - S-2 1.184e-13 2.854e-14 -12.927 -13.545 -0.618 (0) - (H2S)2 8.992e-18 9.776e-18 -17.046 -17.010 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.444 -70.408 0.036 30.40 +S(-2) 4.322e-08 + HS- 3.022e-08 1.990e-08 -7.520 -7.701 -0.182 21.14 + H2S 1.299e-08 1.413e-08 -7.886 -7.850 0.036 36.27 + S-2 1.228e-13 2.960e-14 -12.911 -13.529 -0.618 (0) + (H2S)2 9.671e-18 1.051e-17 -17.015 -16.978 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -127818,7 +127149,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -127830,21 +127161,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -127868,7 +127199,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.396e-11 Surface + diffuse layer charge, eq + -9.424e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -127878,7 +127209,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -127887,9 +127218,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 2.9752e-25 + Hto 2.9743e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -127911,7 +127242,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.521e-24 2.970e-25 + Hto 2.521e-24 2.969e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -127921,18 +127252,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.990e-10 + Electrical balance (eq) = -6.480e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -127943,36 +127274,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.659e-11 - CH4 2.659e-11 2.891e-11 -10.575 -10.539 0.036 35.46 +C(-4) 2.758e-11 + CH4 2.758e-11 2.999e-11 -10.559 -10.523 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.864e-11 - H2 9.320e-12 1.013e-11 -11.031 -10.994 0.036 28.61 +H(0) 1.881e-11 + H2 9.405e-12 1.023e-11 -11.027 -10.990 0.036 28.61 Hto 2.521e-24 Hto 2.521e-24 2.521e-24 -23.598 -23.598 0.000 (0) K 1.540e-03 @@ -127984,20 +127315,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.437 -70.400 0.036 30.40 -S(-2) 4.167e-08 - HS- 2.914e-08 1.919e-08 -7.535 -7.717 -0.182 21.14 - H2S 1.253e-08 1.362e-08 -7.902 -7.866 0.036 36.27 - S-2 1.184e-13 2.854e-14 -12.927 -13.545 -0.618 (0) - (H2S)2 8.992e-18 9.777e-18 -17.046 -17.010 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.444 -70.408 0.036 30.40 +S(-2) 4.322e-08 + HS- 3.022e-08 1.990e-08 -7.520 -7.701 -0.182 21.14 + H2S 1.299e-08 1.413e-08 -7.886 -7.850 0.036 36.27 + S-2 1.228e-13 2.960e-14 -12.911 -13.529 -0.618 (0) + (H2S)2 9.671e-18 1.051e-17 -17.015 -16.978 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -128012,7 +127342,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -128024,21 +127354,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -128062,7 +127392,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.397e-11 Surface + diffuse layer charge, eq + -9.424e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -128072,7 +127402,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -128081,7 +127411,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -128113,18 +127443,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.993e-10 + Electrical balance (eq) = -6.480e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -128135,36 +127465,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.659e-11 - CH4 2.659e-11 2.891e-11 -10.575 -10.539 0.036 35.46 +C(-4) 2.758e-11 + CH4 2.758e-11 2.999e-11 -10.559 -10.523 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.864e-11 - H2 9.320e-12 1.013e-11 -11.031 -10.994 0.036 28.61 +H(0) 1.881e-11 + H2 9.405e-12 1.023e-11 -11.027 -10.990 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -128174,20 +127504,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.437 -70.400 0.036 30.40 -S(-2) 4.167e-08 - HS- 2.914e-08 1.919e-08 -7.535 -7.717 -0.182 21.14 - H2S 1.253e-08 1.362e-08 -7.902 -7.866 0.036 36.27 - S-2 1.184e-13 2.854e-14 -12.927 -13.545 -0.618 (0) - (H2S)2 8.993e-18 9.777e-18 -17.046 -17.010 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.444 -70.408 0.036 30.40 +S(-2) 4.322e-08 + HS- 3.022e-08 1.990e-08 -7.520 -7.701 -0.182 21.14 + H2S 1.299e-08 1.413e-08 -7.886 -7.850 0.036 36.27 + S-2 1.228e-13 2.960e-14 -12.911 -13.529 -0.618 (0) + (H2S)2 9.671e-18 1.051e-17 -17.015 -16.978 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -128202,7 +127531,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -128214,21 +127543,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.86 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -128258,18 +127587,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -128283,8 +127612,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -128308,8 +127637,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -128329,16 +127658,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -128365,21 +127693,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -128407,18 +127735,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -128432,8 +127760,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -128457,8 +127785,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -128478,16 +127806,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -128514,21 +127841,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -128565,18 +127892,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.004 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.001 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.983e-12 + Electrical balance (eq) = -9.366e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -128590,8 +127917,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.306e-12 - CH4 1.306e-12 1.420e-12 -11.884 -11.848 0.036 35.46 +C(-4) 1.225e-12 + CH4 1.225e-12 1.332e-12 -11.912 -11.876 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -128615,8 +127942,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.773e-12 - H2 4.387e-12 4.769e-12 -11.358 -11.322 0.036 28.61 +H(0) 8.633e-12 + H2 4.316e-12 4.693e-12 -11.365 -11.329 0.036 28.61 Hto 5.744e-07 Hto 5.744e-07 5.744e-07 -6.241 -6.241 0.000 (0) I 7.414e-07 @@ -128636,16 +127963,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.348e-07 Nat+ 3.348e-07 3.348e-07 -6.475 -6.475 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.782 -69.746 0.036 30.40 -S(-2) 2.048e-09 - HS- 1.432e-09 9.426e-10 -8.844 -9.026 -0.182 21.14 - H2S 6.161e-10 6.699e-10 -9.210 -9.174 0.036 36.27 - S-2 5.811e-15 1.401e-15 -14.236 -14.854 -0.618 (0) - (H2S)2 2.175e-20 2.364e-20 -19.663 -19.626 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.768 -69.732 0.036 30.40 +S(-2) 1.920e-09 + HS- 1.343e-09 8.838e-10 -8.872 -9.054 -0.182 21.14 + H2S 5.777e-10 6.281e-10 -9.238 -9.202 0.036 36.27 + S-2 5.448e-15 1.313e-15 -14.264 -14.882 -0.618 (0) + (H2S)2 1.912e-20 2.079e-20 -19.719 -19.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -128672,21 +127998,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.05 -11.85 -2.80 CH4 + CH4(g) -9.07 -11.88 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.22 -11.32 -3.10 H2 + H2(g) -8.23 -11.33 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.18 -16.12 -7.94 H2S + H2S(g) -8.21 -16.14 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.85 -69.75 -2.89 O2 + O2(g) -66.84 -69.73 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.88 -1.00 4.88 S + Sulfur -5.91 -1.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -128710,7 +128036,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.480e-14 Surface + diffuse layer charge, eq + -4.413e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -128720,7 +128046,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -128732,7 +128058,7 @@ Su Cl 4.6657e-10 H 1.2947e-04 Hto 5.6767e-08 - I 7.3785e-20 + I 7.3771e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -128767,18 +128093,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.077 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.076 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.949e-09 + Electrical balance (eq) = 1.681e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -128792,15 +128118,15 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.980e-12 - CH4 4.980e-12 5.414e-12 -11.303 -11.266 0.036 35.46 +C(-4) 4.874e-12 + CH4 4.874e-12 5.299e-12 -11.312 -11.276 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 @@ -128811,14 +128137,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.226e-11 - H2 6.130e-12 6.664e-12 -11.213 -11.176 0.036 28.61 +H(0) 1.219e-11 + H2 6.097e-12 6.629e-12 -11.215 -11.179 0.036 28.61 Hto 4.811e-07 Hto 4.811e-07 4.811e-07 -6.318 -6.318 0.000 (0) I 6.262e-07 @@ -128838,16 +128164,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.893e-07 Nat+ 2.893e-07 2.893e-07 -6.539 -6.539 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.073 -70.036 0.036 30.40 -S(-2) 7.807e-09 - HS- 5.458e-09 3.593e-09 -8.263 -8.445 -0.182 21.14 - H2S 2.348e-09 2.553e-09 -8.629 -8.593 0.036 36.27 - S-2 2.215e-14 5.340e-15 -13.655 -14.272 -0.618 (0) - (H2S)2 3.159e-19 3.435e-19 -18.500 -18.464 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.068 -70.032 0.036 30.40 +S(-2) 7.641e-09 + HS- 5.342e-09 3.517e-09 -8.272 -8.454 -0.182 21.14 + H2S 2.298e-09 2.499e-09 -8.639 -8.602 0.036 36.27 + S-2 2.168e-14 5.227e-15 -13.664 -14.282 -0.618 (0) + (H2S)2 3.027e-19 3.291e-19 -18.519 -18.483 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -128874,21 +128199,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.46 -11.27 -2.80 CH4 + CH4(g) -8.47 -11.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.08 -11.18 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.60 -15.53 -7.94 H2S + H2S(g) -7.61 -15.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.14 -70.04 -2.89 O2 + O2(g) -67.14 -70.03 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.45 -0.57 4.88 S + Sulfur -5.46 -0.57 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -128912,7 +128237,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.288e-11 Surface + diffuse layer charge, eq + -9.282e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -128922,7 +128247,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -128934,11 +128259,11 @@ Su Cl 4.6629e-10 H 1.2949e-04 Hto 3.0954e-08 - I 3.6634e-20 + I 3.6647e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.7072e-08 + Nat 7.7071e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -128970,17 +128295,17 @@ Su pH = 7.090 Charge balance pe = -3.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.987e-10 + Electrical balance (eq) = 3.885e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -128992,10 +128317,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.005e-11 - CH4 2.005e-11 2.180e-11 -10.698 -10.661 0.036 35.46 +C(-4) 1.996e-11 + CH4 1.996e-11 2.170e-11 -10.700 -10.664 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -129019,8 +128344,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) -H(0) 1.737e-11 - H2 8.684e-12 9.442e-12 -11.061 -11.025 0.036 28.61 +H(0) 1.735e-11 + H2 8.673e-12 9.430e-12 -11.062 -11.025 0.036 28.61 Hto 2.623e-07 Hto 2.623e-07 2.623e-07 -6.581 -6.581 0.000 (0) I 3.110e-07 @@ -129040,16 +128365,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.311e-07 Nat+ 1.311e-07 1.311e-07 -6.882 -6.882 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.375 -70.339 0.036 30.40 -S(-2) 3.143e-08 - HS- 2.198e-08 1.447e-08 -7.658 -7.840 -0.182 21.14 - H2S 9.450e-09 1.027e-08 -8.025 -7.988 0.036 36.27 - S-2 8.926e-14 2.152e-14 -13.049 -13.667 -0.618 (0) - (H2S)2 5.116e-18 5.562e-18 -17.291 -17.255 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.374 -70.338 0.036 30.40 +S(-2) 3.127e-08 + HS- 2.187e-08 1.440e-08 -7.660 -7.842 -0.182 21.14 + H2S 9.404e-09 1.022e-08 -8.027 -7.990 0.036 36.27 + S-2 8.882e-14 2.141e-14 -13.051 -13.669 -0.618 (0) + (H2S)2 5.066e-18 5.508e-18 -17.295 -17.259 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -129081,9 +128405,9 @@ Sr 5.000e-04 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.92 -11.02 -3.10 H2 + H2(g) -7.92 -11.03 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.99 -14.93 -7.94 H2S + H2S(g) -7.00 -14.93 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -129114,7 +128438,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.455e-11 Surface + diffuse layer charge, eq + -9.457e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -129124,7 +128448,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -129133,14 +128457,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6620e-10 + Cl 4.6619e-10 H 1.2949e-04 Hto 1.2999e-08 - I 1.3736e-20 + I 1.3738e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.3606e-08 + Nat 2.3605e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -129172,17 +128496,17 @@ Su pH = 7.090 Charge balance pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.922e-10 + Electrical balance (eq) = -7.427e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -129196,15 +128520,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.528e-11 - CH4 2.528e-11 2.749e-11 -10.597 -10.561 0.036 35.46 +C(-4) 2.558e-11 + CH4 2.558e-11 2.781e-11 -10.592 -10.556 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -129215,14 +128539,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.840e-11 - H2 9.202e-12 1.001e-11 -11.036 -11.000 0.036 28.61 + HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) +H(0) 1.846e-11 + H2 9.229e-12 1.003e-11 -11.035 -10.999 0.036 28.61 Hto 1.102e-07 Hto 1.102e-07 1.102e-07 -6.958 -6.958 0.000 (0) I 1.166e-07 @@ -129242,16 +128566,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 4.017e-08 Nat+ 4.017e-08 4.017e-08 -7.396 -7.396 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.426 -70.389 0.036 30.40 -S(-2) 3.962e-08 - HS- 2.771e-08 1.824e-08 -7.557 -7.739 -0.182 21.14 - H2S 1.191e-08 1.295e-08 -7.924 -7.888 0.036 36.27 - S-2 1.125e-13 2.713e-14 -12.949 -13.567 -0.618 (0) - (H2S)2 8.127e-18 8.836e-18 -17.090 -17.054 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.392 0.036 30.40 +S(-2) 4.008e-08 + HS- 2.803e-08 1.845e-08 -7.552 -7.734 -0.182 21.14 + H2S 1.205e-08 1.310e-08 -7.919 -7.883 0.036 36.27 + S-2 1.139e-13 2.745e-14 -12.944 -13.561 -0.618 (0) + (H2S)2 8.320e-18 9.045e-18 -17.080 -17.044 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -129261,7 +128584,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -129278,21 +128601,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.56 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.90 -11.00 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.89 -14.83 -7.94 H2S + H2S(g) -6.89 -14.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -129316,7 +128639,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.457e-11 Surface + diffuse layer charge, eq + -9.477e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -129326,7 +128649,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -129335,14 +128658,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6617e-10 + Cl 4.6615e-10 H 1.2949e-04 - Hto 4.3111e-09 + Hto 4.3110e-09 I 4.0093e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3046e-09 + Nat 5.3043e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -129361,7 +128684,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.654e-08 4.304e-09 + Hto 3.653e-08 4.304e-09 I 3.403e-08 4.009e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -129373,18 +128696,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.965e-10 + Electrical balance (eq) = -7.452e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -129396,10 +128719,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.697e-11 - CH4 2.697e-11 2.932e-11 -10.569 -10.533 0.036 35.46 +C(-4) 2.767e-11 + CH4 2.767e-11 3.008e-11 -10.558 -10.522 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -129411,22 +128734,22 @@ C(4) 2.744e-03 MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.871e-11 - H2 9.353e-12 1.017e-11 -11.029 -10.993 0.036 28.61 -Hto 3.654e-08 - Hto 3.654e-08 3.654e-08 -7.437 -7.437 0.000 (0) +H(0) 1.883e-11 + H2 9.413e-12 1.023e-11 -11.026 -10.990 0.036 28.61 +Hto 3.653e-08 + Hto 3.653e-08 3.653e-08 -7.437 -7.437 0.000 (0) I 3.403e-08 I- 3.403e-08 3.403e-08 -7.468 -7.468 -0.000 (0) K 1.540e-03 @@ -129444,16 +128767,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 9.026e-09 - Nat+ 9.026e-09 9.026e-09 -8.044 -8.044 -0.000 (0) + Nat+ 9.026e-09 9.026e-09 -8.045 -8.045 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.440 -70.403 0.036 30.40 -S(-2) 4.227e-08 - HS- 2.956e-08 1.946e-08 -7.529 -7.711 -0.182 21.14 - H2S 1.271e-08 1.381e-08 -7.896 -7.860 0.036 36.27 - S-2 1.201e-13 2.895e-14 -12.921 -13.538 -0.618 (0) - (H2S)2 9.250e-18 1.006e-17 -17.034 -16.998 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.445 -70.409 0.036 30.40 +S(-2) 4.336e-08 + HS- 3.032e-08 1.996e-08 -7.518 -7.700 -0.182 21.14 + H2S 1.303e-08 1.417e-08 -7.885 -7.849 0.036 36.27 + S-2 1.232e-13 2.970e-14 -12.909 -13.527 -0.618 (0) + (H2S)2 9.734e-18 1.058e-17 -17.012 -16.975 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -129462,13 +128784,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -129480,21 +128802,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.73 -10.53 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.80 -7.94 H2S + H2S(g) -6.85 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -129518,7 +128840,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.440e-11 Surface + diffuse layer charge, eq + -9.467e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -129528,7 +128850,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -129537,14 +128859,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 Hto 1.1561e-09 I 9.3678e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.2224e-10 + Nat 9.2216e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -129563,7 +128885,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.798e-09 1.154e-09 + Hto 9.797e-09 1.154e-09 I 7.951e-09 9.367e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -129575,18 +128897,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.946e-10 + Electrical balance (eq) = -7.435e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -129598,37 +128920,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.744e-11 - CH4 2.744e-11 2.983e-11 -10.562 -10.525 0.036 35.46 +C(-4) 2.834e-11 + CH4 2.834e-11 3.081e-11 -10.548 -10.511 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.879e-11 - H2 9.393e-12 1.021e-11 -11.027 -10.991 0.036 28.61 -Hto 9.798e-09 - Hto 9.798e-09 9.798e-09 -8.009 -8.009 0.000 (0) +H(0) 1.894e-11 + H2 9.469e-12 1.029e-11 -11.024 -10.987 0.036 28.61 +Hto 9.797e-09 + Hto 9.797e-09 9.797e-09 -8.009 -8.009 0.000 (0) I 7.951e-09 I- 7.951e-09 7.951e-09 -8.100 -8.100 -0.000 (0) K 1.540e-03 @@ -129646,16 +128968,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.569e-09 Nat+ 1.569e-09 1.569e-09 -8.804 -8.804 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.443 -70.407 0.036 30.40 -S(-2) 4.299e-08 - HS- 3.007e-08 1.979e-08 -7.522 -7.703 -0.182 21.14 - H2S 1.292e-08 1.405e-08 -7.889 -7.852 0.036 36.27 - S-2 1.221e-13 2.944e-14 -12.913 -13.531 -0.618 (0) - (H2S)2 9.570e-18 1.040e-17 -17.019 -16.983 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.450 -70.414 0.036 30.40 +S(-2) 4.440e-08 + HS- 3.105e-08 2.044e-08 -7.508 -7.689 -0.182 21.14 + H2S 1.335e-08 1.451e-08 -7.875 -7.838 0.036 36.27 + S-2 1.262e-13 3.041e-14 -12.899 -13.517 -0.618 (0) + (H2S)2 1.021e-17 1.110e-17 -16.991 -16.955 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -129664,14 +128985,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -129682,21 +129003,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.53 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.86 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.41 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 -0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -129720,7 +129041,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.430e-11 Surface + diffuse layer charge, eq + -9.458e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -129730,7 +129051,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -129739,14 +129060,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 2.5565e-10 + Hto 2.5563e-10 I 1.7921e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2855e-10 + Nat 1.2854e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -129777,18 +129098,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.932e-10 + Electrical balance (eq) = -7.425e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -129800,35 +129121,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.747e-11 - CH4 2.747e-11 2.987e-11 -10.561 -10.525 0.036 35.46 +C(-4) 2.844e-11 + CH4 2.844e-11 3.092e-11 -10.546 -10.510 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.879e-11 - H2 9.396e-12 1.022e-11 -11.027 -10.991 0.036 28.61 +H(0) 1.895e-11 + H2 9.477e-12 1.030e-11 -11.023 -10.987 0.036 28.61 Hto 2.166e-09 Hto 2.166e-09 2.166e-09 -8.664 -8.664 0.000 (0) I 1.521e-09 @@ -129848,16 +129169,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.187e-10 Nat+ 2.187e-10 2.187e-10 -9.660 -9.660 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.444 -70.407 0.036 30.40 -S(-2) 4.305e-08 - HS- 3.011e-08 1.982e-08 -7.521 -7.703 -0.182 21.14 - H2S 1.294e-08 1.407e-08 -7.888 -7.852 0.036 36.27 - S-2 1.223e-13 2.948e-14 -12.913 -13.530 -0.618 (0) - (H2S)2 9.595e-18 1.043e-17 -17.018 -16.982 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.451 -70.415 0.036 30.40 +S(-2) 4.456e-08 + HS- 3.117e-08 2.052e-08 -7.506 -7.688 -0.182 21.14 + H2S 1.340e-08 1.457e-08 -7.873 -7.837 0.036 36.27 + S-2 1.266e-13 3.052e-14 -12.897 -13.515 -0.618 (0) + (H2S)2 1.028e-17 1.118e-17 -16.988 -16.952 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -129866,14 +129186,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -129884,21 +129204,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.86 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.41 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -129922,7 +129242,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.422e-11 Surface + diffuse layer charge, eq + -9.450e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -129932,7 +129252,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -129941,14 +129261,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 4.7354e-11 - I 2.8580e-23 + Hto 4.7350e-11 + I 2.8577e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4730e-11 + Nat 1.4728e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -129967,30 +129287,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.013e-10 4.728e-11 + Hto 4.013e-10 4.727e-11 I 2.426e-10 2.858e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.507e-11 2.953e-12 + Nat 2.506e-11 2.953e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.927e-10 + Electrical balance (eq) = -7.418e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -130002,35 +129322,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.728e-11 - CH4 2.728e-11 2.966e-11 -10.564 -10.528 0.036 35.46 +C(-4) 2.826e-11 + CH4 2.826e-11 3.073e-11 -10.549 -10.512 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.876e-11 - H2 9.379e-12 1.020e-11 -11.028 -10.992 0.036 28.61 +H(0) 1.893e-11 + H2 9.463e-12 1.029e-11 -11.024 -10.988 0.036 28.61 Hto 4.013e-10 Hto 4.013e-10 4.013e-10 -9.397 -9.397 0.000 (0) I 2.426e-10 @@ -130050,16 +129370,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.507e-11 - Nat+ 2.507e-11 2.507e-11 -10.601 -10.601 -0.000 (0) +Nat 2.506e-11 + Nat+ 2.506e-11 2.506e-11 -10.601 -10.601 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.442 -70.406 0.036 30.40 -S(-2) 4.274e-08 - HS- 2.989e-08 1.968e-08 -7.524 -7.706 -0.182 21.14 - H2S 1.285e-08 1.397e-08 -7.891 -7.855 0.036 36.27 - S-2 1.214e-13 2.927e-14 -12.916 -13.534 -0.618 (0) - (H2S)2 9.461e-18 1.029e-17 -17.024 -16.988 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.450 -70.413 0.036 30.40 +S(-2) 4.429e-08 + HS- 3.097e-08 2.039e-08 -7.509 -7.691 -0.182 21.14 + H2S 1.331e-08 1.447e-08 -7.876 -7.839 0.036 36.27 + S-2 1.258e-13 3.033e-14 -12.900 -13.518 -0.618 (0) + (H2S)2 1.015e-17 1.104e-17 -16.993 -16.957 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -130068,13 +129387,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -130086,21 +129405,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.73 -10.53 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.86 -14.80 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.41 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.01 4.88 S + Sulfur -4.88 -0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -130124,7 +129443,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.410e-11 Surface + diffuse layer charge, eq + -9.438e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -130134,7 +129453,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -130143,14 +129462,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6617e-10 + Cl 4.6615e-10 H 1.2949e-04 - Hto 7.4398e-12 - I 3.8524e-24 + Hto 7.4391e-12 + I 3.8516e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4129e-12 + Nat 1.4127e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -130169,7 +129488,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.305e-11 7.428e-12 + Hto 6.304e-11 7.427e-12 I 3.269e-11 3.851e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -130181,19 +129500,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.171 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.228e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.280e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -130203,38 +129522,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.695e-11 - CH4 2.695e-11 2.930e-11 -10.569 -10.533 0.036 35.46 +C(-4) 2.793e-11 + CH4 2.793e-11 3.037e-11 -10.554 -10.518 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.870e-11 - H2 9.351e-12 1.017e-11 -11.029 -10.993 0.036 28.61 -Hto 6.305e-11 - Hto 6.305e-11 6.305e-11 -10.200 -10.200 0.000 (0) +H(0) 1.887e-11 + H2 9.435e-12 1.026e-11 -11.025 -10.989 0.036 28.61 +Hto 6.304e-11 + Hto 6.304e-11 6.304e-11 -10.200 -10.200 0.000 (0) I 3.269e-11 I- 3.269e-11 3.269e-11 -10.486 -10.486 -0.000 (0) K 1.540e-03 @@ -130252,16 +129571,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.404e-12 Nat+ 2.404e-12 2.404e-12 -11.619 -11.619 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.439 -70.403 0.036 30.40 -S(-2) 4.223e-08 - HS- 2.953e-08 1.944e-08 -7.530 -7.711 -0.182 21.14 - H2S 1.270e-08 1.380e-08 -7.896 -7.860 0.036 36.27 - S-2 1.200e-13 2.892e-14 -12.921 -13.539 -0.618 (0) - (H2S)2 9.234e-18 1.004e-17 -17.035 -16.998 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.447 -70.411 0.036 30.40 +S(-2) 4.377e-08 + HS- 3.061e-08 2.015e-08 -7.514 -7.696 -0.182 21.14 + H2S 1.316e-08 1.431e-08 -7.881 -7.844 0.036 36.27 + S-2 1.244e-13 2.998e-14 -12.905 -13.523 -0.618 (0) + (H2S)2 9.921e-18 1.079e-17 -17.003 -16.967 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -130270,13 +129588,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -130288,21 +129606,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.73 -10.53 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.80 -7.94 H2S + H2S(g) -6.85 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -130326,7 +129644,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.401e-11 Surface + diffuse layer charge, eq + -9.429e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -130336,7 +129654,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -130345,14 +129663,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6617e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 1.0012e-12 - I 4.4328e-25 + Hto 1.0011e-12 + I 4.4338e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1498e-13 + Nat 1.1496e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -130371,31 +129689,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.484e-12 9.995e-13 + Hto 8.483e-12 9.994e-13 I 3.763e-12 4.433e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.957e-13 2.305e-14 + Nat 1.956e-13 2.305e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.171 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.716e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.772e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -130405,38 +129723,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.672e-11 - CH4 2.672e-11 2.905e-11 -10.573 -10.537 0.036 35.46 +C(-4) 2.771e-11 + CH4 2.771e-11 3.012e-11 -10.557 -10.521 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.866e-11 - H2 9.331e-12 1.014e-11 -11.030 -10.994 0.036 28.61 -Hto 8.484e-12 - Hto 8.484e-12 8.484e-12 -11.071 -11.071 0.000 (0) +H(0) 1.883e-11 + H2 9.416e-12 1.024e-11 -11.026 -10.990 0.036 28.61 +Hto 8.483e-12 + Hto 8.483e-12 8.483e-12 -11.071 -11.071 0.000 (0) I 3.763e-12 I- 3.763e-12 3.763e-12 -11.424 -11.424 -0.000 (0) K 1.540e-03 @@ -130448,22 +129766,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.957e-13 - Nat+ 1.957e-13 1.957e-13 -12.709 -12.709 -0.000 (0) +Nat 1.956e-13 + Nat+ 1.956e-13 1.956e-13 -12.709 -12.709 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.438 -70.401 0.036 30.40 -S(-2) 4.187e-08 - HS- 2.928e-08 1.928e-08 -7.533 -7.715 -0.182 21.14 - H2S 1.259e-08 1.369e-08 -7.900 -7.864 0.036 36.27 - S-2 1.190e-13 2.867e-14 -12.925 -13.543 -0.618 (0) - (H2S)2 9.078e-18 9.870e-18 -17.042 -17.006 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.445 -70.409 0.036 30.40 +S(-2) 4.342e-08 + HS- 3.036e-08 1.999e-08 -7.518 -7.699 -0.182 21.14 + H2S 1.305e-08 1.419e-08 -7.884 -7.848 0.036 36.27 + S-2 1.234e-13 2.973e-14 -12.909 -13.527 -0.618 (0) + (H2S)2 9.759e-18 1.061e-17 -17.011 -16.974 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -130478,7 +129795,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -130490,21 +129807,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.73 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.85 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -130528,7 +129845,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.398e-11 Surface + diffuse layer charge, eq + -9.426e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -130538,7 +129855,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -130547,14 +129864,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 1.1628e-13 + Hto 1.1626e-13 I 4.3949e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.0186e-15 + Nat 8.0168e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -130573,7 +129890,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.854e-13 1.161e-13 + Hto 9.853e-13 1.161e-13 I 3.730e-13 4.395e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -130585,18 +129902,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.843e-10 + Electrical balance (eq) = -6.332e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -130607,38 +129924,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.664e-11 - CH4 2.664e-11 2.896e-11 -10.574 -10.538 0.036 35.46 +C(-4) 2.762e-11 + CH4 2.762e-11 3.003e-11 -10.559 -10.522 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.865e-11 - H2 9.324e-12 1.014e-11 -11.030 -10.994 0.036 28.61 -Hto 9.854e-13 - Hto 9.854e-13 9.854e-13 -12.006 -12.006 0.000 (0) +H(0) 1.882e-11 + H2 9.409e-12 1.023e-11 -11.026 -10.990 0.036 28.61 +Hto 9.853e-13 + Hto 9.853e-13 9.853e-13 -12.006 -12.006 0.000 (0) I 3.730e-13 I- 3.730e-13 3.730e-13 -12.428 -12.428 -0.000 (0) K 1.540e-03 @@ -130650,22 +129967,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.364e-14 Nat+ 1.364e-14 1.364e-14 -13.865 -13.865 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.437 -70.401 0.036 30.40 -S(-2) 4.174e-08 - HS- 2.919e-08 1.922e-08 -7.535 -7.716 -0.182 21.14 - H2S 1.255e-08 1.364e-08 -7.901 -7.865 0.036 36.27 - S-2 1.186e-13 2.859e-14 -12.926 -13.544 -0.618 (0) - (H2S)2 9.023e-18 9.810e-18 -17.045 -17.008 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.445 -70.408 0.036 30.40 +S(-2) 4.329e-08 + HS- 3.027e-08 1.993e-08 -7.519 -7.700 -0.182 21.14 + H2S 1.301e-08 1.415e-08 -7.886 -7.849 0.036 36.27 + S-2 1.230e-13 2.965e-14 -12.910 -13.528 -0.618 (0) + (H2S)2 9.702e-18 1.055e-17 -17.013 -16.977 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -130680,7 +129996,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -130692,21 +130008,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.85 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -130730,7 +130046,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.397e-11 Surface + diffuse layer charge, eq + -9.425e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -130740,7 +130056,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -130749,14 +130065,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6617e-10 + Cl 4.6616e-10 H 1.2949e-04 - Hto 1.1724e-14 + Hto 1.1722e-14 I 3.7763e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8282e-16 + Nat 4.8270e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -130775,30 +130091,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.936e-14 1.171e-14 + Hto 9.934e-14 1.170e-14 I 3.205e-14 3.776e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.216e-16 9.679e-17 + Nat 8.214e-16 9.676e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.986e-10 + Electrical balance (eq) = -6.475e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -130809,38 +130125,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.668e-11 - CH4 2.668e-11 2.900e-11 -10.574 -10.538 0.036 35.46 +C(-4) 2.766e-11 + CH4 2.766e-11 3.008e-11 -10.558 -10.522 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.865e-11 - H2 9.327e-12 1.014e-11 -11.030 -10.994 0.036 28.61 -Hto 9.936e-14 - Hto 9.936e-14 9.936e-14 -13.003 -13.003 0.000 (0) +H(0) 1.882e-11 + H2 9.412e-12 1.023e-11 -11.026 -10.990 0.036 28.61 +Hto 9.934e-14 + Hto 9.934e-14 9.934e-14 -13.003 -13.003 0.000 (0) I 3.205e-14 I- 3.205e-14 3.205e-14 -13.494 -13.494 -0.000 (0) K 1.540e-03 @@ -130852,22 +130168,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.216e-16 - Nat+ 8.216e-16 8.216e-16 -15.085 -15.085 -0.000 (0) +Nat 8.214e-16 + Nat+ 8.214e-16 8.214e-16 -15.085 -15.085 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.437 -70.401 0.036 30.40 -S(-2) 4.180e-08 - HS- 2.924e-08 1.925e-08 -7.534 -7.716 -0.182 21.14 - H2S 1.257e-08 1.366e-08 -7.901 -7.864 0.036 36.27 - S-2 1.188e-13 2.863e-14 -12.925 -13.543 -0.618 (0) - (H2S)2 9.049e-18 9.838e-18 -17.043 -17.007 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.445 -70.409 0.036 30.40 +S(-2) 4.335e-08 + HS- 3.032e-08 1.996e-08 -7.518 -7.700 -0.182 21.14 + H2S 1.303e-08 1.417e-08 -7.885 -7.849 0.036 36.27 + S-2 1.232e-13 2.969e-14 -12.910 -13.527 -0.618 (0) + (H2S)2 9.730e-18 1.058e-17 -17.012 -16.976 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -130882,7 +130197,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -130894,21 +130209,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.54 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.81 -7.94 H2S + H2S(g) -6.85 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -130932,7 +130247,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.404e-11 Surface + diffuse layer charge, eq + -9.432e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -130942,7 +130257,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -130951,14 +130266,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6617e-10 + Cl 4.6615e-10 H 1.2949e-04 - Hto 1.0307e-15 + Hto 1.0305e-15 I 2.8256e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5240e-17 + Nat 2.5233e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -130977,30 +130292,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.735e-15 1.029e-15 + Hto 8.733e-15 1.029e-15 I 2.398e-15 2.825e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.295e-17 5.060e-18 + Nat 4.294e-17 5.058e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.171 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.193e-09 + Electrical balance (eq) = 8.442e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -131011,38 +130326,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.689e-11 - CH4 2.689e-11 2.924e-11 -10.570 -10.534 0.036 35.46 +C(-4) 2.788e-11 + CH4 2.788e-11 3.031e-11 -10.555 -10.518 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.869e-11 - H2 9.346e-12 1.016e-11 -11.029 -10.993 0.036 28.61 -Hto 8.735e-15 - Hto 8.735e-15 8.735e-15 -14.059 -14.059 0.000 (0) +H(0) 1.886e-11 + H2 9.430e-12 1.025e-11 -11.025 -10.989 0.036 28.61 +Hto 8.733e-15 + Hto 8.733e-15 8.733e-15 -14.059 -14.059 0.000 (0) I 2.398e-15 I- 2.398e-15 2.398e-15 -14.620 -14.620 -0.000 (0) K 1.540e-03 @@ -131054,22 +130369,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.295e-17 - Nat+ 4.295e-17 4.295e-17 -16.367 -16.367 -0.000 (0) +Nat 4.294e-17 + Nat+ 4.294e-17 4.294e-17 -16.367 -16.367 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.439 -70.403 0.036 30.40 -S(-2) 4.214e-08 - HS- 2.947e-08 1.940e-08 -7.531 -7.712 -0.182 21.14 - H2S 1.267e-08 1.377e-08 -7.897 -7.861 0.036 36.27 - S-2 1.197e-13 2.886e-14 -12.922 -13.540 -0.618 (0) - (H2S)2 9.195e-18 9.997e-18 -17.036 -17.000 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.447 -70.410 0.036 30.40 +S(-2) 4.368e-08 + HS- 3.055e-08 2.011e-08 -7.515 -7.697 -0.182 21.14 + H2S 1.313e-08 1.428e-08 -7.882 -7.845 0.036 36.27 + S-2 1.241e-13 2.992e-14 -12.906 -13.524 -0.618 (0) + (H2S)2 9.881e-18 1.074e-17 -17.005 -16.969 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -131078,13 +130392,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -131096,21 +130410,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.73 -10.53 -2.80 CH4 + CH4(g) -7.72 -10.52 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.87 -14.80 -7.94 H2S + H2S(g) -6.85 -14.79 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -131134,7 +130448,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.415e-11 Surface + diffuse layer charge, eq + -9.443e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -131144,7 +130458,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -131153,14 +130467,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 7.9240e-17 + Hto 7.9225e-17 I 1.8467e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1500e-18 + Nat 1.1496e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -131179,30 +130493,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.715e-16 7.911e-17 + Hto 6.714e-16 7.910e-17 I 1.567e-16 1.847e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.957e-18 2.305e-19 + Nat 1.956e-18 2.305e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.916e-10 + Electrical balance (eq) = -7.408e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -131214,37 +130528,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.729e-11 - CH4 2.729e-11 2.967e-11 -10.564 -10.528 0.036 35.46 +C(-4) 2.828e-11 + CH4 2.828e-11 3.074e-11 -10.549 -10.512 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.876e-11 - H2 9.380e-12 1.020e-11 -11.028 -10.991 0.036 28.61 -Hto 6.715e-16 - Hto 6.715e-16 6.715e-16 -15.173 -15.173 0.000 (0) +H(0) 1.893e-11 + H2 9.464e-12 1.029e-11 -11.024 -10.988 0.036 28.61 +Hto 6.714e-16 + Hto 6.714e-16 6.714e-16 -15.173 -15.173 0.000 (0) I 1.567e-16 I- 1.567e-16 1.567e-16 -15.805 -15.805 -0.000 (0) K 1.540e-03 @@ -131262,16 +130576,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.957e-18 - Nat+ 1.957e-18 1.957e-18 -17.708 -17.708 -0.000 (0) +Nat 1.956e-18 + Nat+ 1.956e-18 1.956e-18 -17.709 -17.709 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.442 -70.406 0.036 30.40 -S(-2) 4.276e-08 - HS- 2.991e-08 1.969e-08 -7.524 -7.706 -0.182 21.14 - H2S 1.286e-08 1.398e-08 -7.891 -7.855 0.036 36.27 - S-2 1.215e-13 2.929e-14 -12.915 -13.533 -0.618 (0) - (H2S)2 9.468e-18 1.029e-17 -17.024 -16.987 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.450 -70.414 0.036 30.40 +S(-2) 4.431e-08 + HS- 3.099e-08 2.040e-08 -7.509 -7.690 -0.182 21.14 + H2S 1.332e-08 1.448e-08 -7.876 -7.839 0.036 36.27 + S-2 1.259e-13 3.035e-14 -12.900 -13.518 -0.618 (0) + (H2S)2 1.016e-17 1.105e-17 -16.993 -16.957 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -131280,13 +130593,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -131298,21 +130611,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.73 -10.53 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.86 -14.80 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.41 -2.89 O2 + O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.01 4.88 S + Sulfur -4.88 -0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -131336,7 +130649,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.423e-11 Surface + diffuse layer charge, eq + -9.451e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -131346,7 +130659,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -131355,14 +130668,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 5.3375e-18 + Hto 5.3364e-18 I 1.0568e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5782e-20 + Nat 4.5767e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -131381,30 +130694,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.523e-17 5.329e-18 + Hto 4.522e-17 5.328e-18 I 8.968e-18 1.057e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.790e-20 9.178e-21 + Nat 7.788e-20 9.175e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.927e-10 + Electrical balance (eq) = -7.421e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -131416,37 +130729,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.752e-11 - CH4 2.752e-11 2.992e-11 -10.560 -10.524 0.036 35.46 +C(-4) 2.851e-11 + CH4 2.851e-11 3.100e-11 -10.545 -10.509 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.880e-11 - H2 9.400e-12 1.022e-11 -11.027 -10.991 0.036 28.61 -Hto 4.523e-17 - Hto 4.523e-17 4.523e-17 -16.345 -16.345 0.000 (0) +H(0) 1.897e-11 + H2 9.483e-12 1.031e-11 -11.023 -10.987 0.036 28.61 +Hto 4.522e-17 + Hto 4.522e-17 4.522e-17 -16.345 -16.345 0.000 (0) I 8.968e-18 I- 8.968e-18 8.968e-18 -17.047 -17.047 -0.000 (0) K 1.540e-03 @@ -131464,16 +130777,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 7.790e-20 - Nat+ 7.790e-20 7.790e-20 -19.108 -19.108 -0.000 (0) +Nat 7.788e-20 + Nat+ 7.788e-20 7.788e-20 -19.109 -19.109 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.444 -70.408 0.036 30.40 -S(-2) 4.313e-08 - HS- 3.016e-08 1.986e-08 -7.521 -7.702 -0.182 21.14 - H2S 1.297e-08 1.410e-08 -7.887 -7.851 0.036 36.27 - S-2 1.225e-13 2.954e-14 -12.912 -13.530 -0.618 (0) - (H2S)2 9.631e-18 1.047e-17 -17.016 -16.980 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.452 -70.415 0.036 30.40 +S(-2) 4.467e-08 + HS- 3.124e-08 2.057e-08 -7.505 -7.687 -0.182 21.14 + H2S 1.343e-08 1.460e-08 -7.872 -7.836 0.036 36.27 + S-2 1.269e-13 3.060e-14 -12.896 -13.514 -0.618 (0) + (H2S)2 1.033e-17 1.123e-17 -16.986 -16.949 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -131482,14 +130794,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -131500,21 +130812,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.86 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -131538,7 +130850,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.425e-11 Surface + diffuse layer charge, eq + -9.453e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -131548,7 +130860,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -131557,14 +130869,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 3.1523e-19 - I 5.2957e-32 + Hto 3.1516e-19 + I 5.2963e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5944e-21 + Nat 1.5938e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -131588,25 +130900,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.713e-21 3.196e-22 + Nat 2.712e-21 3.195e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.931e-10 + Electrical balance (eq) = -7.422e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -131618,35 +130930,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.760e-11 - CH4 2.760e-11 3.000e-11 -10.559 -10.523 0.036 35.46 +C(-4) 2.858e-11 + CH4 2.858e-11 3.108e-11 -10.544 -10.508 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.881e-11 - H2 9.406e-12 1.023e-11 -11.027 -10.990 0.036 28.61 +H(0) 1.898e-11 + H2 9.489e-12 1.032e-11 -11.023 -10.986 0.036 28.61 Hto 2.671e-18 Hto 2.671e-18 2.671e-18 -17.573 -17.573 0.000 (0) I 4.496e-19 @@ -131666,16 +130978,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.713e-21 - Nat+ 2.713e-21 2.713e-21 -20.567 -20.567 -0.000 (0) +Nat 2.712e-21 + Nat+ 2.712e-21 2.712e-21 -20.567 -20.567 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.408 0.036 30.40 -S(-2) 4.324e-08 - HS- 3.024e-08 1.991e-08 -7.519 -7.701 -0.182 21.14 - H2S 1.300e-08 1.413e-08 -7.886 -7.850 0.036 36.27 - S-2 1.229e-13 2.962e-14 -12.911 -13.528 -0.618 (0) - (H2S)2 9.683e-18 1.053e-17 -17.014 -16.978 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 +S(-2) 4.479e-08 + HS- 3.132e-08 2.062e-08 -7.504 -7.686 -0.182 21.14 + H2S 1.346e-08 1.464e-08 -7.871 -7.834 0.036 36.27 + S-2 1.273e-13 3.068e-14 -12.895 -13.513 -0.618 (0) + (H2S)2 1.039e-17 1.129e-17 -16.984 -16.947 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -131684,14 +130995,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -131702,21 +131013,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.86 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -131740,7 +131051,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.425e-11 Surface + diffuse layer charge, eq + -9.453e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -131750,7 +131061,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -131759,14 +131070,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 1.6317e-20 - I 2.3258e-33 + Hto 1.6313e-20 + I 2.3254e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8481e-23 + Nat 4.8462e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -131785,30 +131096,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.383e-19 1.629e-20 + Hto 1.382e-19 1.629e-20 I 1.974e-20 2.326e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.250e-23 9.719e-24 + Nat 8.246e-23 9.715e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.932e-10 + Electrical balance (eq) = -7.422e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -131820,37 +131131,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.761e-11 - CH4 2.761e-11 3.002e-11 -10.559 -10.523 0.036 35.46 +C(-4) 2.860e-11 + CH4 2.860e-11 3.109e-11 -10.544 -10.507 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.882e-11 - H2 9.408e-12 1.023e-11 -11.027 -10.990 0.036 28.61 -Hto 1.383e-19 - Hto 1.383e-19 1.383e-19 -18.859 -18.859 0.000 (0) +H(0) 1.898e-11 + H2 9.491e-12 1.032e-11 -11.023 -10.986 0.036 28.61 +Hto 1.382e-19 + Hto 1.382e-19 1.382e-19 -18.859 -18.859 0.000 (0) I 1.974e-20 I- 1.974e-20 1.974e-20 -19.705 -19.705 -0.000 (0) K 1.540e-03 @@ -131868,16 +131179,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.250e-23 - Nat+ 8.250e-23 8.250e-23 -22.084 -22.084 -0.000 (0) +Nat 8.246e-23 + Nat+ 8.246e-23 8.246e-23 -22.084 -22.084 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.408 0.036 30.40 -S(-2) 4.327e-08 - HS- 3.026e-08 1.992e-08 -7.519 -7.701 -0.182 21.14 - H2S 1.301e-08 1.414e-08 -7.886 -7.849 0.036 36.27 - S-2 1.229e-13 2.963e-14 -12.910 -13.528 -0.618 (0) - (H2S)2 9.693e-18 1.054e-17 -17.014 -16.977 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 +S(-2) 4.481e-08 + HS- 3.134e-08 2.063e-08 -7.504 -7.685 -0.182 21.14 + H2S 1.347e-08 1.465e-08 -7.871 -7.834 0.036 36.27 + S-2 1.273e-13 3.069e-14 -12.895 -13.513 -0.618 (0) + (H2S)2 1.040e-17 1.130e-17 -16.983 -16.947 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -131886,14 +131196,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -131904,21 +131214,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.86 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -131942,7 +131252,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.425e-11 Surface + diffuse layer charge, eq + -9.453e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -131952,7 +131262,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -131961,14 +131271,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 7.3916e-22 - I 8.9279e-35 + Hto 7.3897e-22 + I 8.9255e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1056e-24 + Nat 1.1052e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -131987,30 +131297,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.264e-21 7.380e-22 + Hto 6.262e-21 7.378e-22 I 7.576e-22 8.925e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.881e-24 2.216e-25 + Nat 1.881e-24 2.215e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.928e-10 + Electrical balance (eq) = -7.422e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -132022,37 +131332,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.761e-11 - CH4 2.761e-11 3.002e-11 -10.559 -10.523 0.036 35.46 +C(-4) 2.860e-11 + CH4 2.860e-11 3.110e-11 -10.544 -10.507 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.882e-11 - H2 9.408e-12 1.023e-11 -11.027 -10.990 0.036 28.61 -Hto 6.264e-21 - Hto 6.264e-21 6.264e-21 -20.203 -20.203 0.000 (0) +H(0) 1.898e-11 + H2 9.491e-12 1.032e-11 -11.023 -10.986 0.036 28.61 +Hto 6.262e-21 + Hto 6.262e-21 6.262e-21 -20.203 -20.203 0.000 (0) I 7.576e-22 I- 7.576e-22 7.576e-22 -21.121 -21.121 -0.000 (0) K 1.540e-03 @@ -132070,16 +131380,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.881e-24 Nat+ 1.881e-24 1.881e-24 -23.726 -23.726 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.408 0.036 30.40 -S(-2) 4.327e-08 - HS- 3.026e-08 1.992e-08 -7.519 -7.701 -0.182 21.14 - H2S 1.301e-08 1.414e-08 -7.886 -7.849 0.036 36.27 - S-2 1.229e-13 2.963e-14 -12.910 -13.528 -0.618 (0) - (H2S)2 9.695e-18 1.054e-17 -17.013 -16.977 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 +S(-2) 4.482e-08 + HS- 3.134e-08 2.063e-08 -7.504 -7.685 -0.182 21.14 + H2S 1.347e-08 1.465e-08 -7.871 -7.834 0.036 36.27 + S-2 1.273e-13 3.069e-14 -12.895 -13.513 -0.618 (0) + (H2S)2 1.040e-17 1.131e-17 -16.983 -16.947 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -132088,14 +131397,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -132106,21 +131415,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -132144,7 +131453,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.425e-11 Surface + diffuse layer charge, eq + -9.453e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -132154,7 +131463,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -132163,10 +131472,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 2.9181e-23 - I 2.9384e-36 + Hto 2.9174e-23 + I 2.9380e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -132188,7 +131497,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.473e-22 2.913e-23 + Hto 2.472e-22 2.913e-23 I 2.494e-23 2.938e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -132199,18 +131508,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.930e-10 + Electrical balance (eq) = -7.422e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -132222,37 +131531,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.761e-11 - CH4 2.761e-11 3.002e-11 -10.559 -10.523 0.036 35.46 +C(-4) 2.860e-11 + CH4 2.860e-11 3.110e-11 -10.544 -10.507 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.882e-11 - H2 9.408e-12 1.023e-11 -11.027 -10.990 0.036 28.61 -Hto 2.473e-22 - Hto 2.473e-22 2.473e-22 -21.607 -21.607 0.000 (0) +H(0) 1.898e-11 + H2 9.491e-12 1.032e-11 -11.023 -10.986 0.036 28.61 +Hto 2.472e-22 + Hto 2.472e-22 2.472e-22 -21.607 -21.607 0.000 (0) I 2.494e-23 I- 2.494e-23 2.494e-23 -22.603 -22.603 -0.000 (0) K 1.540e-03 @@ -132270,14 +131579,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.408 0.036 30.40 -S(-2) 4.327e-08 - HS- 3.026e-08 1.992e-08 -7.519 -7.701 -0.182 21.14 - H2S 1.301e-08 1.414e-08 -7.886 -7.849 0.036 36.27 - S-2 1.229e-13 2.963e-14 -12.910 -13.528 -0.618 (0) - (H2S)2 9.695e-18 1.054e-17 -17.013 -16.977 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 +S(-2) 4.482e-08 + HS- 3.134e-08 2.063e-08 -7.504 -7.685 -0.182 21.14 + H2S 1.347e-08 1.465e-08 -7.871 -7.834 0.036 36.27 + S-2 1.273e-13 3.069e-14 -12.895 -13.513 -0.618 (0) + (H2S)2 1.040e-17 1.131e-17 -16.983 -16.947 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -132286,14 +131594,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -132304,21 +131612,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -132342,7 +131650,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.425e-11 Surface + diffuse layer charge, eq + -9.453e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -132352,7 +131660,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -132361,9 +131669,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 9.2228e-25 + Hto 9.2201e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -132385,7 +131693,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.816e-24 9.208e-25 + Hto 7.814e-24 9.205e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -132395,18 +131703,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.929e-10 + Electrical balance (eq) = -7.422e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -132418,37 +131726,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.761e-11 - CH4 2.761e-11 3.002e-11 -10.559 -10.523 0.036 35.46 +C(-4) 2.860e-11 + CH4 2.860e-11 3.110e-11 -10.544 -10.507 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.882e-11 - H2 9.408e-12 1.023e-11 -11.027 -10.990 0.036 28.61 -Hto 7.816e-24 - Hto 7.816e-24 7.816e-24 -23.107 -23.107 0.000 (0) +H(0) 1.898e-11 + H2 9.491e-12 1.032e-11 -11.023 -10.986 0.036 28.61 +Hto 7.814e-24 + Hto 7.814e-24 7.814e-24 -23.107 -23.107 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -132464,14 +131772,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.408 0.036 30.40 -S(-2) 4.327e-08 - HS- 3.026e-08 1.992e-08 -7.519 -7.701 -0.182 21.14 - H2S 1.301e-08 1.414e-08 -7.886 -7.849 0.036 36.27 - S-2 1.229e-13 2.964e-14 -12.910 -13.528 -0.618 (0) - (H2S)2 9.695e-18 1.054e-17 -17.013 -16.977 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 +S(-2) 4.482e-08 + HS- 3.134e-08 2.063e-08 -7.504 -7.685 -0.182 21.14 + H2S 1.347e-08 1.465e-08 -7.871 -7.834 0.036 36.27 + S-2 1.273e-13 3.069e-14 -12.895 -13.513 -0.618 (0) + (H2S)2 1.040e-17 1.131e-17 -16.983 -16.947 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -132480,14 +131787,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -132498,21 +131805,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -132536,7 +131843,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.425e-11 Surface + diffuse layer charge, eq + -9.453e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -132546,7 +131853,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -132555,7 +131862,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -132587,18 +131894,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.932e-10 + Electrical balance (eq) = -7.422e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -132610,35 +131917,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.761e-11 - CH4 2.761e-11 3.002e-11 -10.559 -10.523 0.036 35.46 +C(-4) 2.860e-11 + CH4 2.860e-11 3.110e-11 -10.544 -10.507 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.882e-11 - H2 9.408e-12 1.023e-11 -11.027 -10.990 0.036 28.61 +H(0) 1.898e-11 + H2 9.491e-12 1.032e-11 -11.023 -10.986 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -132654,14 +131961,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.408 0.036 30.40 -S(-2) 4.327e-08 - HS- 3.026e-08 1.992e-08 -7.519 -7.701 -0.182 21.14 - H2S 1.301e-08 1.414e-08 -7.886 -7.849 0.036 36.27 - S-2 1.229e-13 2.964e-14 -12.910 -13.528 -0.618 (0) - (H2S)2 9.695e-18 1.054e-17 -17.013 -16.977 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 +S(-2) 4.482e-08 + HS- 3.134e-08 2.063e-08 -7.504 -7.685 -0.182 21.14 + H2S 1.347e-08 1.465e-08 -7.871 -7.834 0.036 36.27 + S-2 1.273e-13 3.069e-14 -12.895 -13.513 -0.618 (0) + (H2S)2 1.040e-17 1.131e-17 -16.983 -16.947 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -132670,14 +131976,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -132688,21 +131994,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -132732,18 +132038,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -132757,8 +132063,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -132782,8 +132088,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -132803,16 +132109,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -132839,21 +132144,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -132881,18 +132186,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -132906,8 +132211,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -132931,8 +132236,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -132952,16 +132257,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -132988,21 +132292,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -133039,18 +132343,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.009 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.006 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.988e-12 + Electrical balance (eq) = -9.425e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -133064,8 +132368,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.422e-12 - CH4 1.422e-12 1.546e-12 -11.847 -11.811 0.036 35.46 +C(-4) 1.340e-12 + CH4 1.340e-12 1.457e-12 -11.873 -11.837 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -133075,7 +132379,7 @@ C(4) 2.744e-03 CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.378e-06 8.599e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 @@ -133089,8 +132393,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 8.962e-12 - H2 4.481e-12 4.872e-12 -11.349 -11.312 0.036 28.61 +H(0) 8.829e-12 + H2 4.415e-12 4.800e-12 -11.355 -11.319 0.036 28.61 Hto 5.697e-07 Hto 5.697e-07 5.697e-07 -6.244 -6.244 0.000 (0) I 7.381e-07 @@ -133110,16 +132414,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.307e-07 Nat+ 3.307e-07 3.307e-07 -6.481 -6.481 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.800 -69.764 0.036 30.40 -S(-2) 2.230e-09 - HS- 1.559e-09 1.026e-09 -8.807 -8.989 -0.182 21.14 - H2S 6.708e-10 7.294e-10 -9.173 -9.137 0.036 36.27 - S-2 6.327e-15 1.525e-15 -14.199 -14.817 -0.618 (0) - (H2S)2 2.578e-20 2.803e-20 -19.589 -19.552 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.788 -69.751 0.036 30.40 +S(-2) 2.101e-09 + HS- 1.469e-09 9.670e-10 -8.833 -9.015 -0.182 21.14 + H2S 6.320e-10 6.872e-10 -9.199 -9.163 0.036 36.27 + S-2 5.961e-15 1.437e-15 -14.225 -14.843 -0.618 (0) + (H2S)2 2.289e-20 2.488e-20 -19.640 -19.604 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -133146,21 +132449,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -9.01 -11.81 -2.80 CH4 + CH4(g) -9.03 -11.84 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.21 -11.31 -3.10 H2 + H2(g) -8.22 -11.32 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.14 -16.08 -7.94 H2S + H2S(g) -8.17 -16.10 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.87 -69.76 -2.89 O2 + O2(g) -66.86 -69.75 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.86 -0.97 4.88 S + Sulfur -5.88 -0.99 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -133194,7 +132497,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -133236,23 +132539,23 @@ Su Na 2.390e-01 2.816e-02 Nat 2.871e-07 3.382e-08 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.891e-05 + Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.080 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.079 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.949e-09 + Electrical balance (eq) = 1.681e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -133266,8 +132569,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.227e-12 - CH4 5.227e-12 5.683e-12 -11.282 -11.245 0.036 35.46 +C(-4) 5.124e-12 + CH4 5.124e-12 5.571e-12 -11.290 -11.254 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -133291,8 +132594,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.241e-11 - H2 6.204e-12 6.745e-12 -11.207 -11.171 0.036 28.61 +H(0) 1.235e-11 + H2 6.173e-12 6.712e-12 -11.209 -11.173 0.036 28.61 Hto 4.794e-07 Hto 4.794e-07 4.794e-07 -6.319 -6.319 0.000 (0) I 6.259e-07 @@ -133312,16 +132615,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.871e-07 Nat+ 2.871e-07 2.871e-07 -6.542 -6.542 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.083 -70.047 0.036 30.40 -S(-2) 8.193e-09 - HS- 5.729e-09 3.771e-09 -8.242 -8.424 -0.182 21.14 - H2S 2.465e-09 2.680e-09 -8.608 -8.572 0.036 36.27 - S-2 2.325e-14 5.605e-15 -13.634 -14.251 -0.618 (0) - (H2S)2 3.480e-19 3.784e-19 -18.458 -18.422 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.079 -70.042 0.036 30.40 +S(-2) 8.032e-09 + HS- 5.616e-09 3.697e-09 -8.251 -8.432 -0.182 21.14 + H2S 2.416e-09 2.627e-09 -8.617 -8.581 0.036 36.27 + S-2 2.279e-14 5.494e-15 -13.642 -14.260 -0.618 (0) + (H2S)2 3.344e-19 3.636e-19 -18.476 -18.439 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -133348,21 +132650,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.44 -11.25 -2.80 CH4 + CH4(g) -8.45 -11.25 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.58 -15.51 -7.94 H2S + H2S(g) -7.59 -15.52 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.15 -70.05 -2.89 O2 + O2(g) -67.15 -70.04 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.43 -0.55 4.88 S + Sulfur -5.44 -0.56 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -133386,7 +132688,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.305e-11 Surface + diffuse layer charge, eq + -9.300e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -133396,7 +132698,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -133412,7 +132714,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.8352e-08 + Nat 7.8351e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -133443,18 +132745,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.154 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.058e-10 + Electrical balance (eq) = 3.792e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -133468,17 +132770,17 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.122e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.068e-11 - CH4 2.068e-11 2.249e-11 -10.684 -10.648 0.036 35.46 +C(-4) 2.060e-11 + CH4 2.060e-11 2.240e-11 -10.686 -10.650 0.036 35.46 C(4) 2.744e-03 - HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + HCO3- 2.098e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.535e-08 7.105e-08 -7.185 -7.148 0.036 -14.13 @@ -133492,9 +132794,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.750e-11 - H2 8.751e-12 9.515e-12 -11.058 -11.022 0.036 28.61 + HCl 3.951e-09 5.641e-09 -8.403 -8.249 0.155 (0) +H(0) 1.749e-11 + H2 8.743e-12 9.505e-12 -11.058 -11.022 0.036 28.61 Hto 2.659e-07 Hto 2.659e-07 2.659e-07 -6.575 -6.575 0.000 (0) I 3.165e-07 @@ -133508,22 +132810,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.946e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.333e-07 Nat+ 1.333e-07 1.333e-07 -6.875 -6.875 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.382 -70.346 0.036 30.40 -S(-2) 3.241e-08 - HS- 2.267e-08 1.492e-08 -7.645 -7.826 -0.182 21.14 - H2S 9.745e-09 1.060e-08 -8.011 -7.975 0.036 36.27 - S-2 9.205e-14 2.219e-14 -13.036 -13.654 -0.618 (0) - (H2S)2 5.441e-18 5.916e-18 -17.264 -17.228 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.381 -70.345 0.036 30.40 +S(-2) 3.228e-08 + HS- 2.258e-08 1.486e-08 -7.646 -7.828 -0.182 21.14 + H2S 9.708e-09 1.055e-08 -8.013 -7.977 0.036 36.27 + S-2 9.170e-14 2.210e-14 -13.038 -13.656 -0.618 (0) + (H2S)2 5.399e-18 5.870e-18 -17.268 -17.231 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -133562,7 +132863,7 @@ Sr 5.000e-04 Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.45 -70.35 -2.89 O2 + O2(g) -67.45 -70.34 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.99 -0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -133588,7 +132889,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.482e-11 Surface + diffuse layer charge, eq + -9.484e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -133598,7 +132899,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -133607,14 +132908,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6617e-10 H 1.2949e-04 Hto 1.3493e-08 - I 1.4340e-20 + I 1.4338e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4747e-08 + Nat 2.4746e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -133645,18 +132946,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.168 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.867e-10 + Electrical balance (eq) = -8.373e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -133670,8 +132971,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.614e-11 - CH4 2.614e-11 2.843e-11 -10.583 -10.546 0.036 35.46 +C(-4) 2.644e-11 + CH4 2.644e-11 2.875e-11 -10.578 -10.541 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -133695,8 +132996,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.856e-11 - H2 9.280e-12 1.009e-11 -11.032 -10.996 0.036 28.61 +H(0) 1.861e-11 + H2 9.306e-12 1.012e-11 -11.031 -10.995 0.036 28.61 Hto 1.143e-07 Hto 1.143e-07 1.143e-07 -6.942 -6.942 0.000 (0) I 1.217e-07 @@ -133711,21 +133012,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 4.211e-08 Nat+ 4.211e-08 4.211e-08 -7.376 -7.376 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.433 -70.397 0.036 30.40 -S(-2) 4.097e-08 - HS- 2.865e-08 1.886e-08 -7.543 -7.724 -0.182 21.14 - H2S 1.232e-08 1.339e-08 -7.909 -7.873 0.036 36.27 - S-2 1.164e-13 2.806e-14 -12.934 -13.552 -0.618 (0) - (H2S)2 8.691e-18 9.450e-18 -17.061 -17.025 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.435 -70.399 0.036 30.40 +S(-2) 4.144e-08 + HS- 2.898e-08 1.908e-08 -7.538 -7.719 -0.182 21.14 + H2S 1.246e-08 1.354e-08 -7.905 -7.868 0.036 36.27 + S-2 1.177e-13 2.838e-14 -12.929 -13.547 -0.618 (0) + (H2S)2 8.891e-18 9.666e-18 -17.051 -17.015 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -133752,21 +133052,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.74 -10.55 -2.80 CH4 + CH4(g) -7.74 -10.54 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.90 -11.00 -3.10 H2 + H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.88 -14.81 -7.94 H2S + H2S(g) -6.87 -14.81 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.50 -70.40 -2.89 O2 + O2(g) -67.51 -70.40 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.91 -0.03 4.88 S + Sulfur -4.91 -0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -133790,7 +133090,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.487e-11 Surface + diffuse layer charge, eq + -9.506e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -133800,7 +133100,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -133809,14 +133109,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6615e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 4.6061e-09 + Hto 4.6059e-09 I 4.3137e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.7562e-09 + Nat 5.7559e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -133835,30 +133135,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.903e-08 4.599e-09 + Hto 3.903e-08 4.598e-09 I 3.661e-08 4.314e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.795e-09 1.154e-09 + Nat 9.794e-09 1.154e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.911e-10 + Electrical balance (eq) = -8.400e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -133872,8 +133172,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.794e-11 - CH4 2.794e-11 3.038e-11 -10.554 -10.517 0.036 35.46 +C(-4) 2.863e-11 + CH4 2.863e-11 3.113e-11 -10.543 -10.507 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -133897,8 +133197,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.887e-11 - H2 9.435e-12 1.026e-11 -11.025 -10.989 0.036 28.61 +H(0) 1.899e-11 + H2 9.493e-12 1.032e-11 -11.023 -10.986 0.036 28.61 Hto 3.903e-08 Hto 3.903e-08 3.903e-08 -7.409 -7.409 0.000 (0) I 3.661e-08 @@ -133918,16 +133218,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.795e-09 - Nat+ 9.795e-09 9.795e-09 -8.009 -8.009 -0.000 (0) +Nat 9.794e-09 + Nat+ 9.794e-09 9.794e-09 -8.009 -8.009 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.447 -70.411 0.036 30.40 -S(-2) 4.378e-08 - HS- 3.062e-08 2.016e-08 -7.514 -7.696 -0.182 21.14 - H2S 1.316e-08 1.431e-08 -7.881 -7.844 0.036 36.27 - S-2 1.244e-13 2.998e-14 -12.905 -13.523 -0.618 (0) - (H2S)2 9.924e-18 1.079e-17 -17.003 -16.967 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.453 -70.416 0.036 30.40 +S(-2) 4.486e-08 + HS- 3.137e-08 2.065e-08 -7.503 -7.685 -0.182 21.14 + H2S 1.349e-08 1.466e-08 -7.870 -7.834 0.036 36.27 + S-2 1.275e-13 3.072e-14 -12.895 -13.513 -0.618 (0) + (H2S)2 1.042e-17 1.133e-17 -16.982 -16.946 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -133936,14 +133235,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -133954,21 +133253,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -133992,7 +133291,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.470e-11 Surface + diffuse layer charge, eq + -9.497e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -134002,7 +133301,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -134011,14 +133310,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 1.2763e-09 + Hto 1.2762e-09 I 1.0429e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0387e-09 + Nat 1.0386e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -134049,18 +133348,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.890e-10 + Electrical balance (eq) = -8.382e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -134074,8 +133373,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.844e-11 - CH4 2.844e-11 3.092e-11 -10.546 -10.510 0.036 35.46 +C(-4) 2.933e-11 + CH4 2.933e-11 3.189e-11 -10.533 -10.496 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -134085,22 +133384,22 @@ C(4) 2.744e-03 CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.895e-11 - H2 9.477e-12 1.030e-11 -11.023 -10.987 0.036 28.61 +H(0) 1.910e-11 + H2 9.551e-12 1.038e-11 -11.020 -10.984 0.036 28.61 Hto 1.082e-08 Hto 1.082e-08 1.082e-08 -7.966 -7.966 0.000 (0) I 8.850e-09 @@ -134120,16 +133419,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.767e-09 Nat+ 1.767e-09 1.767e-09 -8.753 -8.753 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.451 -70.415 0.036 30.40 -S(-2) 4.456e-08 - HS- 3.116e-08 2.052e-08 -7.506 -7.688 -0.182 21.14 - H2S 1.340e-08 1.456e-08 -7.873 -7.837 0.036 36.27 - S-2 1.266e-13 3.052e-14 -12.898 -13.515 -0.618 (0) - (H2S)2 1.028e-17 1.118e-17 -16.988 -16.952 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.458 -70.422 0.036 30.40 +S(-2) 4.596e-08 + HS- 3.215e-08 2.116e-08 -7.493 -7.674 -0.182 21.14 + H2S 1.382e-08 1.502e-08 -7.860 -7.823 0.036 36.27 + S-2 1.306e-13 3.148e-14 -12.884 -13.502 -0.618 (0) + (H2S)2 1.094e-17 1.189e-17 -16.961 -16.925 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -134138,8 +133436,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -134156,21 +133454,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.71 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.83 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -134194,7 +133492,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.458e-11 Surface + diffuse layer charge, eq + -9.487e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -134204,7 +133502,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -134213,14 +133511,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 2.9254e-10 + Hto 2.9253e-10 I 2.0703e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5061e-10 + Nat 1.5059e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -134250,19 +133548,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.875e-10 + Electrical balance (eq) = -8.371e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -134274,35 +133572,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.848e-11 - CH4 2.848e-11 3.097e-11 -10.545 -10.509 0.036 35.46 +C(-4) 2.945e-11 + CH4 2.945e-11 3.202e-11 -10.531 -10.495 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.896e-11 - H2 9.481e-12 1.031e-11 -11.023 -10.987 0.036 28.61 +H(0) 1.912e-11 + H2 9.560e-12 1.039e-11 -11.020 -10.983 0.036 28.61 Hto 2.479e-09 Hto 2.479e-09 2.479e-09 -8.606 -8.606 0.000 (0) I 1.757e-09 @@ -134322,16 +133620,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.563e-10 Nat+ 2.563e-10 2.563e-10 -9.591 -9.591 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.451 -70.415 0.036 30.40 -S(-2) 4.463e-08 - HS- 3.121e-08 2.055e-08 -7.506 -7.687 -0.182 21.14 - H2S 1.342e-08 1.459e-08 -7.872 -7.836 0.036 36.27 - S-2 1.268e-13 3.057e-14 -12.897 -13.515 -0.618 (0) - (H2S)2 1.031e-17 1.121e-17 -16.987 -16.950 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.459 -70.422 0.036 30.40 +S(-2) 4.614e-08 + HS- 3.227e-08 2.125e-08 -7.491 -7.673 -0.182 21.14 + H2S 1.387e-08 1.508e-08 -7.858 -7.822 0.036 36.27 + S-2 1.311e-13 3.161e-14 -12.882 -13.500 -0.618 (0) + (H2S)2 1.102e-17 1.199e-17 -16.958 -16.921 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -134340,8 +133637,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -134358,21 +133655,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.71 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.83 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -134396,7 +133693,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.451e-11 Surface + diffuse layer charge, eq + -9.479e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -134406,7 +133703,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -134415,14 +133712,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6613e-10 H 1.2949e-04 - Hto 5.6330e-11 + Hto 5.6326e-11 I 3.4347e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7991e-11 + Nat 1.7989e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -134441,30 +133738,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.774e-10 5.624e-11 + Hto 4.773e-10 5.623e-11 I 2.915e-10 3.434e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.061e-11 3.607e-12 + Nat 3.061e-11 3.606e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.869e-10 + Electrical balance (eq) = -8.363e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -134478,8 +133775,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.829e-11 - CH4 2.829e-11 3.076e-11 -10.548 -10.512 0.036 35.46 +C(-4) 2.928e-11 + CH4 2.928e-11 3.183e-11 -10.533 -10.497 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -134489,24 +133786,24 @@ C(4) 2.744e-03 CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.893e-11 - H2 9.465e-12 1.029e-11 -11.024 -10.988 0.036 28.61 -Hto 4.774e-10 - Hto 4.774e-10 4.774e-10 -9.321 -9.321 0.000 (0) +H(0) 1.909e-11 + H2 9.546e-12 1.038e-11 -11.020 -10.984 0.036 28.61 +Hto 4.773e-10 + Hto 4.773e-10 4.773e-10 -9.321 -9.321 0.000 (0) I 2.915e-10 I- 2.915e-10 2.915e-10 -9.535 -9.535 -0.000 (0) K 1.540e-03 @@ -134524,16 +133821,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 3.061e-11 Nat+ 3.061e-11 3.061e-11 -10.514 -10.514 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.450 -70.414 0.036 30.40 -S(-2) 4.433e-08 - HS- 3.101e-08 2.041e-08 -7.509 -7.690 -0.182 21.14 - H2S 1.333e-08 1.449e-08 -7.875 -7.839 0.036 36.27 - S-2 1.260e-13 3.036e-14 -12.900 -13.518 -0.618 (0) - (H2S)2 1.018e-17 1.106e-17 -16.992 -16.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.457 -70.421 0.036 30.40 +S(-2) 4.587e-08 + HS- 3.208e-08 2.112e-08 -7.494 -7.675 -0.182 21.14 + H2S 1.379e-08 1.499e-08 -7.860 -7.824 0.036 36.27 + S-2 1.303e-13 3.142e-14 -12.885 -13.503 -0.618 (0) + (H2S)2 1.090e-17 1.185e-17 -16.963 -16.926 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -134542,14 +133838,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -134560,21 +133856,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.71 -10.51 -2.80 CH4 + CH4(g) -7.70 -10.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.83 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 -0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -134598,7 +133894,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.439e-11 Surface + diffuse layer charge, eq + -9.467e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -134608,7 +133904,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -134617,14 +133913,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6615e-10 + Cl 4.6613e-10 H 1.2949e-04 - Hto 9.2243e-12 - I 4.8274e-24 + Hto 9.2234e-12 + I 4.8282e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8029e-12 + Nat 1.8026e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -134643,31 +133939,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.817e-11 9.209e-12 + Hto 7.816e-11 9.209e-12 I 4.098e-11 4.828e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.068e-12 3.614e-13 + Nat 3.067e-12 3.614e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.173 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.866e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -3.224e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -134680,35 +133976,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.797e-11 - CH4 2.797e-11 3.041e-11 -10.553 -10.517 0.036 35.46 +C(-4) 2.896e-11 + CH4 2.896e-11 3.149e-11 -10.538 -10.502 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.888e-11 - H2 9.438e-12 1.026e-11 -11.025 -10.989 0.036 28.61 -Hto 7.817e-11 - Hto 7.817e-11 7.817e-11 -10.107 -10.107 0.000 (0) +H(0) 1.904e-11 + H2 9.521e-12 1.035e-11 -11.021 -10.985 0.036 28.61 +Hto 7.816e-11 + Hto 7.816e-11 7.816e-11 -10.107 -10.107 0.000 (0) I 4.098e-11 I- 4.098e-11 4.098e-11 -10.387 -10.387 -0.000 (0) K 1.540e-03 @@ -134726,16 +134022,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.068e-12 - Nat+ 3.068e-12 3.068e-12 -11.513 -11.513 -0.000 (0) +Nat 3.067e-12 + Nat+ 3.067e-12 3.067e-12 -11.513 -11.513 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.448 -70.411 0.036 30.40 -S(-2) 4.383e-08 - HS- 3.066e-08 2.018e-08 -7.513 -7.695 -0.182 21.14 - H2S 1.318e-08 1.433e-08 -7.880 -7.844 0.036 36.27 - S-2 1.245e-13 3.002e-14 -12.905 -13.523 -0.618 (0) - (H2S)2 9.949e-18 1.082e-17 -17.002 -16.966 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.455 -70.419 0.036 30.40 +S(-2) 4.538e-08 + HS- 3.174e-08 2.089e-08 -7.498 -7.680 -0.182 21.14 + H2S 1.364e-08 1.483e-08 -7.865 -7.829 0.036 36.27 + S-2 1.289e-13 3.108e-14 -12.890 -13.508 -0.618 (0) + (H2S)2 1.066e-17 1.159e-17 -16.972 -16.936 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -134744,14 +134039,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -134762,21 +134057,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.70 -10.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.83 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -134800,7 +134095,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.430e-11 Surface + diffuse layer charge, eq + -9.458e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -134810,7 +134105,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -134819,14 +134114,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 1.2972e-12 - I 5.8111e-25 + Hto 1.2971e-12 + I 5.8121e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5362e-13 + Nat 1.5359e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -134850,26 +134145,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.614e-13 3.080e-14 + Nat 2.614e-13 3.079e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.173 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.762e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.715e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -134880,35 +134175,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.775e-11 - CH4 2.775e-11 3.017e-11 -10.557 -10.520 0.036 35.46 +C(-4) 2.873e-11 + CH4 2.873e-11 3.124e-11 -10.542 -10.505 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.884e-11 - H2 9.419e-12 1.024e-11 -11.026 -10.990 0.036 28.61 +H(0) 1.900e-11 + H2 9.502e-12 1.033e-11 -11.022 -10.986 0.036 28.61 Hto 1.099e-11 Hto 1.099e-11 1.099e-11 -10.959 -10.959 0.000 (0) I 4.932e-12 @@ -134928,16 +134223,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.614e-13 Nat+ 2.614e-13 2.614e-13 -12.583 -12.583 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.446 -70.409 0.036 30.40 -S(-2) 4.348e-08 - HS- 3.041e-08 2.002e-08 -7.517 -7.699 -0.182 21.14 - H2S 1.307e-08 1.421e-08 -7.884 -7.847 0.036 36.27 - S-2 1.235e-13 2.978e-14 -12.908 -13.526 -0.618 (0) - (H2S)2 9.788e-18 1.064e-17 -17.009 -16.973 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.453 -70.417 0.036 30.40 +S(-2) 4.502e-08 + HS- 3.149e-08 2.073e-08 -7.502 -7.683 -0.182 21.14 + H2S 1.354e-08 1.472e-08 -7.869 -7.832 0.036 36.27 + S-2 1.279e-13 3.084e-14 -12.893 -13.511 -0.618 (0) + (H2S)2 1.050e-17 1.141e-17 -16.979 -16.943 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -134946,14 +134240,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -134964,21 +134258,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.70 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -135002,7 +134296,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.427e-11 Surface + diffuse layer charge, eq + -9.455e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -135012,7 +134306,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -135021,14 +134315,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 1.5788e-13 - I 6.0395e-26 + Hto 1.5786e-13 + I 6.0420e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1245e-14 + Nat 1.1242e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -135059,18 +134353,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.783e-10 + Electrical balance (eq) = -7.275e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -135082,35 +134376,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.766e-11 - CH4 2.766e-11 3.008e-11 -10.558 -10.522 0.036 35.46 +C(-4) 2.865e-11 + CH4 2.865e-11 3.115e-11 -10.543 -10.507 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.882e-11 - H2 9.412e-12 1.023e-11 -11.026 -10.990 0.036 28.61 +H(0) 1.899e-11 + H2 9.495e-12 1.032e-11 -11.023 -10.986 0.036 28.61 Hto 1.338e-12 Hto 1.338e-12 1.338e-12 -11.874 -11.874 0.000 (0) I 5.127e-13 @@ -135130,16 +134424,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.913e-14 Nat+ 1.913e-14 1.913e-14 -13.718 -13.718 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.409 0.036 30.40 -S(-2) 4.335e-08 - HS- 3.032e-08 1.996e-08 -7.518 -7.700 -0.182 21.14 - H2S 1.303e-08 1.417e-08 -7.885 -7.849 0.036 36.27 - S-2 1.232e-13 2.969e-14 -12.910 -13.527 -0.618 (0) - (H2S)2 9.730e-18 1.058e-17 -17.012 -16.976 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.453 -70.416 0.036 30.40 +S(-2) 4.490e-08 + HS- 3.140e-08 2.067e-08 -7.503 -7.685 -0.182 21.14 + H2S 1.350e-08 1.467e-08 -7.870 -7.833 0.036 36.27 + S-2 1.276e-13 3.075e-14 -12.894 -13.512 -0.618 (0) + (H2S)2 1.044e-17 1.135e-17 -16.981 -16.945 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -135148,14 +134441,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -135166,21 +134459,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.70 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -135204,7 +134497,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.426e-11 Surface + diffuse layer charge, eq + -9.454e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -135214,7 +134507,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -135223,14 +134516,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6616e-10 + Cl 4.6614e-10 H 1.2949e-04 - Hto 1.6728e-14 + Hto 1.6725e-14 I 5.4573e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.1248e-16 + Nat 7.1229e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -135249,7 +134542,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.418e-13 1.670e-14 + Hto 1.417e-13 1.670e-14 I 4.631e-14 5.456e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -135261,18 +134554,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.172 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.926e-10 + Electrical balance (eq) = -7.418e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -135284,37 +134577,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.771e-11 - CH4 2.771e-11 3.012e-11 -10.557 -10.521 0.036 35.46 +C(-4) 2.869e-11 + CH4 2.869e-11 3.120e-11 -10.542 -10.506 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.883e-11 - H2 9.416e-12 1.024e-11 -11.026 -10.990 0.036 28.61 -Hto 1.418e-13 - Hto 1.418e-13 1.418e-13 -12.848 -12.848 0.000 (0) +H(0) 1.900e-11 + H2 9.498e-12 1.033e-11 -11.022 -10.986 0.036 28.61 +Hto 1.417e-13 + Hto 1.417e-13 1.417e-13 -12.849 -12.849 0.000 (0) I 4.631e-14 I- 4.631e-14 4.631e-14 -13.334 -13.334 -0.000 (0) K 1.540e-03 @@ -135332,16 +134625,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.212e-15 Nat+ 1.212e-15 1.212e-15 -14.916 -14.916 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.445 -70.409 0.036 30.40 -S(-2) 4.341e-08 - HS- 3.036e-08 1.999e-08 -7.518 -7.699 -0.182 21.14 - H2S 1.305e-08 1.419e-08 -7.884 -7.848 0.036 36.27 - S-2 1.233e-13 2.973e-14 -12.909 -13.527 -0.618 (0) - (H2S)2 9.759e-18 1.061e-17 -17.011 -16.974 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.453 -70.417 0.036 30.40 +S(-2) 4.496e-08 + HS- 3.144e-08 2.070e-08 -7.502 -7.684 -0.182 21.14 + H2S 1.352e-08 1.469e-08 -7.869 -7.833 0.036 36.27 + S-2 1.277e-13 3.079e-14 -12.894 -13.512 -0.618 (0) + (H2S)2 1.047e-17 1.138e-17 -16.980 -16.944 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -135350,14 +134642,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.557e-09 -7.883 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -135368,21 +134660,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.70 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.52 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -135406,7 +134698,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.433e-11 Surface + diffuse layer charge, eq + -9.461e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -135416,7 +134708,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -135425,14 +134717,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6615e-10 + Cl 4.6613e-10 H 1.2949e-04 - Hto 1.5500e-15 + Hto 1.5497e-15 I 4.3047e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9305e-17 + Nat 3.9294e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -135451,30 +134743,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.314e-14 1.547e-15 + Hto 1.313e-14 1.547e-15 I 3.654e-15 4.304e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.688e-17 7.879e-18 + Nat 6.686e-17 7.877e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.173 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.099e-09 + Electrical balance (eq) = 7.499e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -135488,35 +134780,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.792e-11 - CH4 2.792e-11 3.036e-11 -10.554 -10.518 0.036 35.46 +C(-4) 2.891e-11 + CH4 2.891e-11 3.143e-11 -10.539 -10.503 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.887e-11 - H2 9.434e-12 1.026e-11 -11.025 -10.989 0.036 28.61 -Hto 1.314e-14 - Hto 1.314e-14 1.314e-14 -13.882 -13.882 0.000 (0) +H(0) 1.903e-11 + H2 9.516e-12 1.035e-11 -11.022 -10.985 0.036 28.61 +Hto 1.313e-14 + Hto 1.313e-14 1.313e-14 -13.882 -13.882 0.000 (0) I 3.654e-15 I- 3.654e-15 3.654e-15 -14.437 -14.437 -0.000 (0) K 1.540e-03 @@ -135534,16 +134826,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 6.688e-17 - Nat+ 6.688e-17 6.688e-17 -16.175 -16.175 -0.000 (0) +Nat 6.686e-17 + Nat+ 6.686e-17 6.686e-17 -16.175 -16.175 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.447 -70.411 0.036 30.40 -S(-2) 4.375e-08 - HS- 3.060e-08 2.014e-08 -7.514 -7.696 -0.182 21.14 - H2S 1.315e-08 1.430e-08 -7.881 -7.845 0.036 36.27 - S-2 1.243e-13 2.996e-14 -12.906 -13.523 -0.618 (0) - (H2S)2 9.911e-18 1.078e-17 -17.004 -16.968 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.455 -70.418 0.036 30.40 +S(-2) 4.530e-08 + HS- 3.168e-08 2.085e-08 -7.499 -7.681 -0.182 21.14 + H2S 1.362e-08 1.480e-08 -7.866 -7.830 0.036 36.27 + S-2 1.287e-13 3.102e-14 -12.890 -13.508 -0.618 (0) + (H2S)2 1.062e-17 1.155e-17 -16.974 -16.937 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -135552,14 +134843,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -135570,21 +134861,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.70 -10.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.84 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -135608,7 +134899,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.443e-11 Surface + diffuse layer charge, eq + -9.472e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -135618,7 +134909,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -135627,14 +134918,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6613e-10 H 1.2949e-04 - Hto 1.2602e-16 - I 2.9767e-29 + Hto 1.2600e-16 + I 2.9761e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8958e-18 + Nat 1.8952e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -135658,25 +134949,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.226e-18 3.800e-19 + Nat 3.225e-18 3.799e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.857e-10 + Electrical balance (eq) = -8.352e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -135690,8 +134981,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.830e-11 - CH4 2.830e-11 3.077e-11 -10.548 -10.512 0.036 35.46 +C(-4) 2.929e-11 + CH4 2.929e-11 3.184e-11 -10.533 -10.497 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -135701,24 +134992,24 @@ C(4) 2.744e-03 CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.893e-11 - H2 9.466e-12 1.029e-11 -11.024 -10.988 0.036 28.61 +H(0) 1.910e-11 + H2 9.548e-12 1.038e-11 -11.020 -10.984 0.036 28.61 Hto 1.068e-15 - Hto 1.068e-15 1.068e-15 -14.971 -14.971 0.000 (0) + Hto 1.068e-15 1.068e-15 -14.972 -14.972 0.000 (0) I 2.526e-16 I- 2.526e-16 2.526e-16 -15.598 -15.598 -0.000 (0) K 1.540e-03 @@ -135736,16 +135027,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.226e-18 - Nat+ 3.226e-18 3.226e-18 -17.491 -17.491 -0.000 (0) +Nat 3.225e-18 + Nat+ 3.225e-18 3.225e-18 -17.491 -17.491 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.450 -70.414 0.036 30.40 -S(-2) 4.435e-08 - HS- 3.102e-08 2.042e-08 -7.508 -7.690 -0.182 21.14 - H2S 1.333e-08 1.450e-08 -7.875 -7.839 0.036 36.27 - S-2 1.260e-13 3.037e-14 -12.900 -13.517 -0.618 (0) - (H2S)2 1.018e-17 1.107e-17 -16.992 -16.956 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.458 -70.421 0.036 30.40 +S(-2) 4.589e-08 + HS- 3.210e-08 2.113e-08 -7.494 -7.675 -0.182 21.14 + H2S 1.380e-08 1.500e-08 -7.860 -7.824 0.036 36.27 + S-2 1.304e-13 3.143e-14 -12.885 -13.503 -0.618 (0) + (H2S)2 1.091e-17 1.186e-17 -16.962 -16.926 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -135754,14 +135044,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -135772,21 +135062,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.71 -10.51 -2.80 CH4 + CH4(g) -7.70 -10.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.83 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.41 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 -0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -135810,7 +135100,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.452e-11 Surface + diffuse layer charge, eq + -9.480e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -135820,7 +135110,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -135829,14 +135119,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 9.0093e-18 + Hto 9.0075e-18 I 1.8081e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.0176e-20 + Nat 8.0149e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -135855,7 +135145,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.635e-17 8.995e-18 + Hto 7.634e-17 8.993e-18 I 1.535e-17 1.808e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -135866,19 +135156,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.869e-10 + Electrical balance (eq) = -8.366e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -135890,37 +135180,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.854e-11 - CH4 2.854e-11 3.103e-11 -10.545 -10.508 0.036 35.46 +C(-4) 2.952e-11 + CH4 2.952e-11 3.210e-11 -10.530 -10.494 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.897e-11 - H2 9.486e-12 1.031e-11 -11.023 -10.987 0.036 28.61 -Hto 7.635e-17 - Hto 7.635e-17 7.635e-17 -16.117 -16.117 0.000 (0) +H(0) 1.913e-11 + H2 9.567e-12 1.040e-11 -11.019 -10.983 0.036 28.61 +Hto 7.634e-17 + Hto 7.634e-17 7.634e-17 -16.117 -16.117 0.000 (0) I 1.535e-17 I- 1.535e-17 1.535e-17 -16.814 -16.814 -0.000 (0) K 1.540e-03 @@ -135938,16 +135228,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.364e-19 Nat+ 1.364e-19 1.364e-19 -18.865 -18.865 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 -S(-2) 4.472e-08 - HS- 3.127e-08 2.059e-08 -7.505 -7.686 -0.182 21.14 - H2S 1.344e-08 1.462e-08 -7.872 -7.835 0.036 36.27 - S-2 1.271e-13 3.063e-14 -12.896 -13.514 -0.618 (0) - (H2S)2 1.035e-17 1.126e-17 -16.985 -16.949 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.459 -70.423 0.036 30.40 +S(-2) 4.626e-08 + HS- 3.235e-08 2.130e-08 -7.490 -7.672 -0.182 21.14 + H2S 1.391e-08 1.512e-08 -7.857 -7.820 0.036 36.27 + S-2 1.315e-13 3.169e-14 -12.881 -13.499 -0.618 (0) + (H2S)2 1.108e-17 1.205e-17 -16.955 -16.919 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -135956,8 +135245,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -135974,21 +135263,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.71 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.83 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -136012,7 +135301,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.454e-11 Surface + diffuse layer charge, eq + -9.482e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -136022,7 +135311,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -136031,14 +135320,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 5.6702e-19 + Hto 5.6690e-19 I 9.6609e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9779e-21 + Nat 2.9768e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -136057,30 +135346,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.805e-18 5.661e-19 + Hto 4.804e-18 5.660e-19 I 8.200e-19 9.661e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.067e-21 5.970e-22 + Nat 5.065e-21 5.968e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.873e-10 + Electrical balance (eq) = -8.368e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -136092,37 +135381,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.862e-11 - CH4 2.862e-11 3.111e-11 -10.543 -10.507 0.036 35.46 +C(-4) 2.960e-11 + CH4 2.960e-11 3.218e-11 -10.529 -10.492 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.898e-11 - H2 9.492e-12 1.032e-11 -11.023 -10.986 0.036 28.61 -Hto 4.805e-18 - Hto 4.805e-18 4.805e-18 -17.318 -17.318 0.000 (0) +H(0) 1.915e-11 + H2 9.573e-12 1.041e-11 -11.019 -10.983 0.036 28.61 +Hto 4.804e-18 + Hto 4.804e-18 4.804e-18 -17.318 -17.318 0.000 (0) I 8.200e-19 I- 8.200e-19 8.200e-19 -18.086 -18.086 -0.000 (0) K 1.540e-03 @@ -136140,16 +135429,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.067e-21 - Nat+ 5.067e-21 5.067e-21 -20.295 -20.295 -0.000 (0) +Nat 5.065e-21 + Nat+ 5.065e-21 5.065e-21 -20.295 -20.295 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.452 -70.416 0.036 30.40 -S(-2) 4.484e-08 - HS- 3.136e-08 2.064e-08 -7.504 -7.685 -0.182 21.14 - H2S 1.348e-08 1.466e-08 -7.870 -7.834 0.036 36.27 - S-2 1.274e-13 3.071e-14 -12.895 -13.513 -0.618 (0) - (H2S)2 1.041e-17 1.132e-17 -16.983 -16.946 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 +S(-2) 4.638e-08 + HS- 3.244e-08 2.136e-08 -7.489 -7.670 -0.182 21.14 + H2S 1.394e-08 1.516e-08 -7.856 -7.819 0.036 36.27 + S-2 1.318e-13 3.177e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.114e-17 1.211e-17 -16.953 -16.917 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -136158,8 +135446,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -136176,21 +135464,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.71 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -136214,7 +135502,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.454e-11 Surface + diffuse layer charge, eq + -9.482e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -136224,7 +135512,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -136233,14 +135521,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 3.1421e-20 + Hto 3.1414e-20 I 4.5432e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.7102e-23 + Nat 9.7064e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -136259,30 +135547,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.663e-19 3.137e-20 + Hto 2.662e-19 3.136e-20 I 3.856e-20 4.542e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.652e-22 1.947e-23 + Nat 1.652e-22 1.946e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.874e-10 + Electrical balance (eq) = -8.368e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -136294,37 +135582,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.863e-11 - CH4 2.863e-11 3.113e-11 -10.543 -10.507 0.036 35.46 +C(-4) 2.962e-11 + CH4 2.962e-11 3.220e-11 -10.528 -10.492 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.899e-11 - H2 9.493e-12 1.032e-11 -11.023 -10.986 0.036 28.61 -Hto 2.663e-19 - Hto 2.663e-19 2.663e-19 -18.575 -18.575 0.000 (0) +H(0) 1.915e-11 + H2 9.574e-12 1.041e-11 -11.019 -10.983 0.036 28.61 +Hto 2.662e-19 + Hto 2.662e-19 2.662e-19 -18.575 -18.575 0.000 (0) I 3.856e-20 I- 3.856e-20 3.856e-20 -19.414 -19.414 -0.000 (0) K 1.540e-03 @@ -136342,16 +135630,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.652e-22 Nat+ 1.652e-22 1.652e-22 -21.782 -21.782 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.416 0.036 30.40 -S(-2) 4.487e-08 - HS- 3.138e-08 2.066e-08 -7.503 -7.685 -0.182 21.14 - H2S 1.349e-08 1.466e-08 -7.870 -7.834 0.036 36.27 - S-2 1.275e-13 3.073e-14 -12.895 -13.512 -0.618 (0) - (H2S)2 1.042e-17 1.133e-17 -16.982 -16.946 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 +S(-2) 4.641e-08 + HS- 3.246e-08 2.137e-08 -7.489 -7.670 -0.182 21.14 + H2S 1.395e-08 1.517e-08 -7.855 -7.819 0.036 36.27 + S-2 1.319e-13 3.179e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.115e-17 1.212e-17 -16.953 -16.916 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -136360,8 +135647,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -136378,21 +135665,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -136416,7 +135703,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.454e-11 Surface + diffuse layer charge, eq + -9.482e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -136426,7 +135713,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -136435,14 +135722,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 1.5317e-21 - I 1.8773e-34 + Hto 1.5314e-21 + I 1.8775e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6069e-24 + Nat 2.6058e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -136466,25 +135753,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.436e-24 5.226e-25 + Nat 4.434e-24 5.224e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.871e-10 + Electrical balance (eq) = -8.368e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -136496,35 +135783,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.863e-11 - CH4 2.863e-11 3.113e-11 -10.543 -10.507 0.036 35.46 +C(-4) 2.962e-11 + CH4 2.962e-11 3.221e-11 -10.528 -10.492 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.899e-11 - H2 9.494e-12 1.032e-11 -11.023 -10.986 0.036 28.61 +H(0) 1.915e-11 + H2 9.574e-12 1.041e-11 -11.019 -10.983 0.036 28.61 Hto 1.298e-20 Hto 1.298e-20 1.298e-20 -19.887 -19.887 0.000 (0) I 1.593e-21 @@ -136544,16 +135831,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.436e-24 - Nat+ 4.436e-24 4.436e-24 -23.353 -23.353 -0.000 (0) +Nat 4.434e-24 + Nat+ 4.434e-24 4.434e-24 -23.353 -23.353 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.416 0.036 30.40 -S(-2) 4.487e-08 - HS- 3.138e-08 2.066e-08 -7.503 -7.685 -0.182 21.14 - H2S 1.349e-08 1.467e-08 -7.870 -7.834 0.036 36.27 - S-2 1.275e-13 3.073e-14 -12.895 -13.512 -0.618 (0) - (H2S)2 1.042e-17 1.133e-17 -16.982 -16.946 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 +S(-2) 4.642e-08 + HS- 3.246e-08 2.137e-08 -7.489 -7.670 -0.182 21.14 + H2S 1.395e-08 1.517e-08 -7.855 -7.819 0.036 36.27 + S-2 1.319e-13 3.179e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.115e-17 1.213e-17 -16.953 -16.916 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -136562,8 +135848,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -136580,21 +135866,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -136618,7 +135904,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.454e-11 Surface + diffuse layer charge, eq + -9.483e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -136628,7 +135914,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -136637,9 +135923,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 6.5522e-23 + Hto 6.5504e-23 I 6.7576e-36 K 8.9156e-04 Mg 4.6365e-02 @@ -136662,7 +135948,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.553e-22 6.542e-23 + Hto 5.551e-22 6.540e-23 I 5.735e-23 6.757e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -136672,19 +135958,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.872e-10 + Electrical balance (eq) = -8.368e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -136696,37 +135982,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.864e-11 - CH4 2.864e-11 3.113e-11 -10.543 -10.507 0.036 35.46 +C(-4) 2.962e-11 + CH4 2.962e-11 3.221e-11 -10.528 -10.492 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.899e-11 - H2 9.494e-12 1.032e-11 -11.023 -10.986 0.036 28.61 -Hto 5.553e-22 - Hto 5.553e-22 5.553e-22 -21.255 -21.255 0.000 (0) +H(0) 1.915e-11 + H2 9.575e-12 1.041e-11 -11.019 -10.983 0.036 28.61 +Hto 5.551e-22 + Hto 5.551e-22 5.551e-22 -21.256 -21.256 0.000 (0) I 5.735e-23 I- 5.735e-23 5.735e-23 -22.241 -22.241 -0.000 (0) K 1.540e-03 @@ -136744,14 +136030,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.416 0.036 30.40 -S(-2) 4.487e-08 - HS- 3.138e-08 2.066e-08 -7.503 -7.685 -0.182 21.14 - H2S 1.349e-08 1.467e-08 -7.870 -7.834 0.036 36.27 - S-2 1.275e-13 3.073e-14 -12.895 -13.512 -0.618 (0) - (H2S)2 1.042e-17 1.133e-17 -16.982 -16.946 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 +S(-2) 4.642e-08 + HS- 3.246e-08 2.137e-08 -7.489 -7.670 -0.182 21.14 + H2S 1.395e-08 1.517e-08 -7.855 -7.819 0.036 36.27 + S-2 1.319e-13 3.179e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.115e-17 1.213e-17 -16.953 -16.916 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -136760,8 +136045,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -136778,21 +136063,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -136816,7 +136101,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.454e-11 Surface + diffuse layer charge, eq + -9.482e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -136826,7 +136111,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -136835,9 +136120,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 2.3795e-24 + Hto 2.3789e-24 I 1.3458e-37 K 8.9156e-04 Mg 4.6365e-02 @@ -136860,7 +136145,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.017e-23 2.376e-24 + Hto 2.016e-23 2.375e-24 I 1.142e-24 1.346e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -136870,19 +136155,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.872e-10 + Electrical balance (eq) = -8.368e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -136894,37 +136179,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.864e-11 - CH4 2.864e-11 3.113e-11 -10.543 -10.507 0.036 35.46 +C(-4) 2.962e-11 + CH4 2.962e-11 3.221e-11 -10.528 -10.492 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.899e-11 - H2 9.494e-12 1.032e-11 -11.023 -10.986 0.036 28.61 -Hto 2.017e-23 - Hto 2.017e-23 2.017e-23 -22.695 -22.695 0.000 (0) +H(0) 1.915e-11 + H2 9.575e-12 1.041e-11 -11.019 -10.983 0.036 28.61 +Hto 2.016e-23 + Hto 2.016e-23 2.016e-23 -22.696 -22.696 0.000 (0) I 1.142e-24 I- 1.142e-24 1.142e-24 -23.942 -23.942 -0.000 (0) K 1.540e-03 @@ -136942,14 +136227,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.416 0.036 30.40 -S(-2) 4.487e-08 - HS- 3.138e-08 2.066e-08 -7.503 -7.685 -0.182 21.14 - H2S 1.349e-08 1.467e-08 -7.870 -7.834 0.036 36.27 - S-2 1.275e-13 3.073e-14 -12.895 -13.512 -0.618 (0) - (H2S)2 1.042e-17 1.133e-17 -16.982 -16.946 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 +S(-2) 4.642e-08 + HS- 3.246e-08 2.137e-08 -7.489 -7.670 -0.182 21.14 + H2S 1.395e-08 1.517e-08 -7.855 -7.819 0.036 36.27 + S-2 1.319e-13 3.179e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.115e-17 1.213e-17 -16.953 -16.916 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -136958,8 +136242,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -136976,21 +136260,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -137014,7 +136298,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.454e-11 Surface + diffuse layer charge, eq + -9.482e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -137024,7 +136308,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -137033,7 +136317,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 K 8.9156e-04 Mg 4.6365e-02 @@ -137064,19 +136348,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.875e-10 + Electrical balance (eq) = -8.368e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -137088,35 +136372,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.864e-11 - CH4 2.864e-11 3.113e-11 -10.543 -10.507 0.036 35.46 +C(-4) 2.962e-11 + CH4 2.962e-11 3.221e-11 -10.528 -10.492 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.899e-11 - H2 9.494e-12 1.032e-11 -11.023 -10.986 0.036 28.61 +H(0) 1.915e-11 + H2 9.575e-12 1.041e-11 -11.019 -10.983 0.036 28.61 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -137132,14 +136416,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.416 0.036 30.40 -S(-2) 4.487e-08 - HS- 3.138e-08 2.066e-08 -7.503 -7.685 -0.182 21.14 - H2S 1.349e-08 1.467e-08 -7.870 -7.834 0.036 36.27 - S-2 1.275e-13 3.073e-14 -12.895 -13.512 -0.618 (0) - (H2S)2 1.042e-17 1.133e-17 -16.982 -16.946 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 +S(-2) 4.642e-08 + HS- 3.246e-08 2.137e-08 -7.489 -7.670 -0.182 21.14 + H2S 1.395e-08 1.517e-08 -7.855 -7.819 0.036 36.27 + S-2 1.319e-13 3.179e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.115e-17 1.213e-17 -16.953 -16.916 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -137148,8 +136431,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -137166,21 +136449,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.89 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.78 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -137210,18 +136493,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -137235,8 +136518,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -137260,8 +136543,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -137281,16 +136564,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -137317,21 +136599,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -137359,18 +136641,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -137384,8 +136666,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -137409,8 +136691,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -137430,16 +136712,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -137466,21 +136747,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -137517,18 +136798,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.013 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.010 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.992e-12 + Electrical balance (eq) = -9.476e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -137542,33 +136823,33 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.543e-12 - CH4 1.543e-12 1.677e-12 -11.812 -11.775 0.036 35.46 +C(-4) 1.460e-12 + CH4 1.460e-12 1.587e-12 -11.836 -11.799 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 + CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 - (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 + (CO2)2 1.278e-09 1.389e-09 -8.893 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.006e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.145e-12 - H2 4.573e-12 4.972e-12 -11.340 -11.304 0.036 28.61 +H(0) 9.020e-12 + H2 4.510e-12 4.903e-12 -11.346 -11.310 0.036 28.61 Hto 5.651e-07 Hto 5.651e-07 5.651e-07 -6.248 -6.248 0.000 (0) I 7.348e-07 @@ -137588,16 +136869,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.267e-07 Nat+ 3.267e-07 3.267e-07 -6.486 -6.486 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.818 -69.782 0.036 30.40 -S(-2) 2.418e-09 - HS- 1.691e-09 1.113e-09 -8.772 -8.953 -0.182 21.14 - H2S 7.275e-10 7.910e-10 -9.138 -9.102 0.036 36.27 - S-2 6.862e-15 1.654e-15 -14.164 -14.781 -0.618 (0) - (H2S)2 3.032e-20 3.297e-20 -19.518 -19.482 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.806 -69.770 0.036 30.40 +S(-2) 2.288e-09 + HS- 1.600e-09 1.053e-09 -8.796 -8.977 -0.182 21.14 + H2S 6.884e-10 7.485e-10 -9.162 -9.126 0.036 36.27 + S-2 6.493e-15 1.565e-15 -14.188 -14.805 -0.618 (0) + (H2S)2 2.715e-20 2.952e-20 -19.566 -19.530 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -137624,21 +136904,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.97 -11.78 -2.80 CH4 + CH4(g) -9.00 -11.80 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.20 -11.30 -3.10 H2 + H2(g) -8.21 -11.31 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.11 -16.04 -7.94 H2S + H2S(g) -8.13 -16.07 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.89 -69.78 -2.89 O2 + O2(g) -66.88 -69.77 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.83 -0.95 4.88 S + Sulfur -5.85 -0.97 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -137662,7 +136942,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.574e-14 Surface + diffuse layer charge, eq + -4.402e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -137672,7 +136952,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -137684,7 +136964,7 @@ Su Cl 4.6656e-10 H 1.2947e-04 Hto 5.6357e-08 - I 7.3679e-20 + I 7.3692e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -137719,18 +136999,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.082 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.081 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.949e-09 + Electrical balance (eq) = 1.681e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -137744,11 +137024,11 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.477e-12 - CH4 5.477e-12 5.955e-12 -11.261 -11.225 0.036 35.46 +C(-4) 5.377e-12 + CH4 5.377e-12 5.846e-12 -11.269 -11.233 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -137769,8 +137049,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.255e-11 - H2 6.277e-12 6.825e-12 -11.202 -11.166 0.036 28.61 +H(0) 1.250e-11 + H2 6.248e-12 6.793e-12 -11.204 -11.168 0.036 28.61 Hto 4.776e-07 Hto 4.776e-07 4.776e-07 -6.321 -6.321 0.000 (0) I 6.254e-07 @@ -137790,16 +137070,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.849e-07 Nat+ 2.849e-07 2.849e-07 -6.545 -6.545 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.093 -70.057 0.036 30.40 -S(-2) 8.585e-09 - HS- 6.003e-09 3.952e-09 -8.222 -8.403 -0.182 21.14 - H2S 2.583e-09 2.808e-09 -8.588 -8.552 0.036 36.27 - S-2 2.437e-14 5.873e-15 -13.613 -14.231 -0.618 (0) - (H2S)2 3.821e-19 4.154e-19 -18.418 -18.381 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.089 -70.053 0.036 30.40 +S(-2) 8.429e-09 + HS- 5.893e-09 3.880e-09 -8.230 -8.411 -0.182 21.14 + H2S 2.535e-09 2.757e-09 -8.596 -8.560 0.036 36.27 + S-2 2.392e-14 5.766e-15 -13.621 -14.239 -0.618 (0) + (H2S)2 3.683e-19 4.004e-19 -18.434 -18.397 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -137826,19 +137105,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.42 -11.23 -2.80 CH4 + CH4(g) -8.43 -11.23 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.06 -11.17 -3.10 H2 + H2(g) -8.07 -11.17 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.56 -15.49 -7.94 H2S + H2S(g) -7.57 -15.50 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.16 -70.06 -2.89 O2 + O2(g) -67.16 -70.05 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.42 -0.54 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -137864,7 +137143,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.322e-11 Surface + diffuse layer charge, eq + -9.317e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -137874,7 +137153,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -137883,14 +137162,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6626e-10 + Cl 4.6627e-10 H 1.2949e-04 - Hto 3.1763e-08 + Hto 3.1762e-08 I 3.7911e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.9545e-08 + Nat 7.9544e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -137922,17 +137201,17 @@ Su pH = 7.090 Charge balance pe = -3.156 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.128e-10 + Electrical balance (eq) = 3.699e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -137946,15 +137225,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.130e-11 - CH4 2.130e-11 2.316e-11 -10.672 -10.635 0.036 35.46 +C(-4) 2.124e-11 + CH4 2.124e-11 2.309e-11 -10.673 -10.637 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.381e-06 8.607e-07 -5.471 -6.065 -0.594 -1.53 @@ -137965,14 +137244,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.014e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.763e-11 - H2 8.816e-12 9.586e-12 -11.055 -11.018 0.036 28.61 +H(0) 1.762e-11 + H2 8.810e-12 9.578e-12 -11.055 -11.019 0.036 28.61 Hto 2.692e-07 Hto 2.692e-07 2.692e-07 -6.570 -6.570 0.000 (0) I 3.218e-07 @@ -137984,7 +137263,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) @@ -137992,16 +137271,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.354e-07 Nat+ 1.354e-07 1.354e-07 -6.869 -6.869 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.388 -70.352 0.036 30.40 -S(-2) 3.339e-08 - HS- 2.335e-08 1.537e-08 -7.632 -7.813 -0.182 21.14 - H2S 1.004e-08 1.091e-08 -7.998 -7.962 0.036 36.27 - S-2 9.482e-14 2.286e-14 -13.023 -13.641 -0.618 (0) - (H2S)2 5.773e-18 6.276e-18 -17.239 -17.202 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.388 -70.351 0.036 30.40 +S(-2) 3.328e-08 + HS- 2.328e-08 1.532e-08 -7.633 -7.815 -0.182 21.14 + H2S 1.001e-08 1.088e-08 -8.000 -7.963 0.036 36.27 + S-2 9.454e-14 2.279e-14 -13.024 -13.642 -0.618 (0) + (H2S)2 5.738e-18 6.238e-18 -17.241 -17.205 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -138035,7 +137313,7 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.92 -11.02 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.97 -14.90 -7.94 H2S + H2S(g) -6.97 -14.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -138066,7 +137344,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.508e-11 Surface + diffuse layer charge, eq + -9.511e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -138076,7 +137354,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -138088,11 +137366,11 @@ Su Cl 4.6616e-10 H 1.2949e-04 Hto 1.3972e-08 - I 1.4936e-20 + I 1.4932e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5870e-08 + Nat 2.5869e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -138123,18 +137401,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.816e-10 + Electrical balance (eq) = -9.321e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -138148,8 +137426,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.700e-11 - CH4 2.700e-11 2.936e-11 -10.569 -10.532 0.036 35.46 +C(-4) 2.730e-11 + CH4 2.730e-11 2.968e-11 -10.564 -10.527 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -138173,8 +137451,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.871e-11 - H2 9.355e-12 1.017e-11 -11.029 -10.993 0.036 28.61 +H(0) 1.876e-11 + H2 9.381e-12 1.020e-11 -11.028 -10.991 0.036 28.61 Hto 1.184e-07 Hto 1.184e-07 1.184e-07 -6.927 -6.927 0.000 (0) I 1.267e-07 @@ -138194,16 +137472,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 4.402e-08 Nat+ 4.402e-08 4.402e-08 -7.356 -7.356 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.440 -70.404 0.036 30.40 -S(-2) 4.231e-08 - HS- 2.959e-08 1.948e-08 -7.529 -7.710 -0.182 21.14 - H2S 1.272e-08 1.383e-08 -7.895 -7.859 0.036 36.27 - S-2 1.202e-13 2.898e-14 -12.920 -13.538 -0.618 (0) - (H2S)2 9.271e-18 1.008e-17 -17.033 -16.997 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.442 -70.406 0.036 30.40 +S(-2) 4.278e-08 + HS- 2.992e-08 1.970e-08 -7.524 -7.706 -0.182 21.14 + H2S 1.286e-08 1.398e-08 -7.891 -7.854 0.036 36.27 + S-2 1.215e-13 2.930e-14 -12.915 -13.533 -0.618 (0) + (H2S)2 9.477e-18 1.030e-17 -17.023 -16.987 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -138242,9 +137519,9 @@ Sr 5.000e-04 Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.51 -70.40 -2.89 O2 + O2(g) -67.51 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.90 -0.02 4.88 S + Sulfur -4.89 -0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -138268,7 +137545,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.516e-11 Surface + diffuse layer charge, eq + -9.536e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -138278,7 +137555,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -138287,14 +137564,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6613e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 4.9023e-09 - I 4.6223e-21 + Hto 4.9021e-09 + I 4.6231e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2193e-09 + Nat 6.2189e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -138324,19 +137601,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.860e-10 + Electrical balance (eq) = -9.351e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -138348,35 +137625,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.890e-11 - CH4 2.890e-11 3.142e-11 -10.539 -10.503 0.036 35.46 +C(-4) 2.958e-11 + CH4 2.958e-11 3.216e-11 -10.529 -10.493 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.903e-11 - H2 9.516e-12 1.035e-11 -11.022 -10.985 0.036 28.61 +H(0) 1.914e-11 + H2 9.571e-12 1.041e-11 -11.019 -10.983 0.036 28.61 Hto 4.154e-08 Hto 4.154e-08 4.154e-08 -7.381 -7.381 0.000 (0) I 3.924e-08 @@ -138396,16 +137673,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.058e-08 Nat+ 1.058e-08 1.058e-08 -7.975 -7.975 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.455 -70.418 0.036 30.40 -S(-2) 4.529e-08 - HS- 3.167e-08 2.085e-08 -7.499 -7.681 -0.182 21.14 - H2S 1.361e-08 1.480e-08 -7.866 -7.830 0.036 36.27 - S-2 1.287e-13 3.102e-14 -12.890 -13.508 -0.618 (0) - (H2S)2 1.062e-17 1.155e-17 -16.974 -16.938 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.423 0.036 30.40 +S(-2) 4.636e-08 + HS- 3.242e-08 2.134e-08 -7.489 -7.671 -0.182 21.14 + H2S 1.393e-08 1.515e-08 -7.856 -7.820 0.036 36.27 + S-2 1.317e-13 3.175e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.112e-17 1.210e-17 -16.954 -16.917 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -138432,21 +137708,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.50 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.77 -7.94 H2S + H2S(g) -6.83 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.01 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -138470,7 +137746,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.499e-11 Surface + diffuse layer charge, eq + -9.526e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -138480,7 +137756,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -138489,14 +137765,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6611e-10 H 1.2949e-04 - Hto 1.4014e-09 - I 1.1545e-21 + Hto 1.4013e-09 + I 1.1543e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1629e-09 + Nat 1.1628e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -138526,19 +137802,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.837e-10 + Electrical balance (eq) = -9.332e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -138550,17 +137826,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.944e-11 - CH4 2.944e-11 3.201e-11 -10.531 -10.495 0.036 35.46 +C(-4) 3.033e-11 + CH4 3.033e-11 3.297e-11 -10.518 -10.482 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 @@ -138571,14 +137847,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.912e-11 - H2 9.560e-12 1.039e-11 -11.020 -10.983 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.926e-11 + H2 9.631e-12 1.047e-11 -11.016 -10.980 0.036 28.61 Hto 1.188e-08 Hto 1.188e-08 1.188e-08 -7.925 -7.925 0.000 (0) I 9.797e-09 @@ -138598,16 +137874,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.979e-09 Nat+ 1.979e-09 1.979e-09 -8.704 -8.704 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.459 -70.422 0.036 30.40 -S(-2) 4.613e-08 - HS- 3.226e-08 2.124e-08 -7.491 -7.673 -0.182 21.14 - H2S 1.387e-08 1.508e-08 -7.858 -7.822 0.036 36.27 - S-2 1.311e-13 3.159e-14 -12.882 -13.500 -0.618 (0) - (H2S)2 1.102e-17 1.198e-17 -16.958 -16.922 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.465 -70.429 0.036 30.40 +S(-2) 4.752e-08 + HS- 3.324e-08 2.188e-08 -7.478 -7.660 -0.182 21.14 + H2S 1.428e-08 1.553e-08 -7.845 -7.809 0.036 36.27 + S-2 1.350e-13 3.255e-14 -12.870 -13.487 -0.618 (0) + (H2S)2 1.169e-17 1.271e-17 -16.932 -16.896 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -138634,21 +137909,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -138672,7 +137947,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.488e-11 Surface + diffuse layer charge, eq + -9.516e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -138682,7 +137957,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -138691,14 +137966,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 3.3239e-10 + Hto 3.3237e-10 I 2.3735e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7512e-10 + Nat 1.7510e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -138717,30 +137992,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.817e-09 3.319e-10 + Hto 2.817e-09 3.318e-10 I 2.015e-09 2.374e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.980e-10 3.511e-11 + Nat 2.980e-10 3.510e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.821e-10 + Electrical balance (eq) = -9.320e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -138754,15 +138029,15 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.949e-11 - CH4 2.949e-11 3.207e-11 -10.530 -10.494 0.036 35.46 +C(-4) 3.046e-11 + CH4 3.046e-11 3.311e-11 -10.516 -10.480 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 @@ -138773,14 +138048,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.913e-11 - H2 9.564e-12 1.040e-11 -11.019 -10.983 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.928e-11 + H2 9.641e-12 1.048e-11 -11.016 -10.980 0.036 28.61 Hto 2.817e-09 Hto 2.817e-09 2.817e-09 -8.550 -8.550 0.000 (0) I 2.015e-09 @@ -138800,16 +138075,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.980e-10 Nat+ 2.980e-10 2.980e-10 -9.526 -9.526 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.459 -70.423 0.036 30.40 -S(-2) 4.621e-08 - HS- 3.232e-08 2.128e-08 -7.491 -7.672 -0.182 21.14 - H2S 1.389e-08 1.510e-08 -7.857 -7.821 0.036 36.27 - S-2 1.313e-13 3.165e-14 -12.882 -13.500 -0.618 (0) - (H2S)2 1.106e-17 1.202e-17 -16.956 -16.920 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.466 -70.430 0.036 30.40 +S(-2) 4.772e-08 + HS- 3.338e-08 2.197e-08 -7.477 -7.658 -0.182 21.14 + H2S 1.435e-08 1.560e-08 -7.843 -7.807 0.036 36.27 + S-2 1.356e-13 3.269e-14 -12.868 -13.486 -0.618 (0) + (H2S)2 1.179e-17 1.282e-17 -16.928 -16.892 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -138818,7 +138092,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -138836,21 +138110,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -138874,7 +138148,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.479e-11 Surface + diffuse layer charge, eq + -9.507e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -138884,7 +138158,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -138893,14 +138167,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6613e-10 + Cl 4.6611e-10 H 1.2949e-04 - Hto 6.6411e-11 - I 4.0900e-23 + Hto 6.6406e-11 + I 4.0894e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1769e-11 + Nat 2.1766e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -138924,25 +138198,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.704e-11 4.364e-12 + Nat 3.704e-11 4.363e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.175 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.814e-10 + Electrical balance (eq) = -9.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -138954,17 +138228,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.931e-11 - CH4 2.931e-11 3.187e-11 -10.533 -10.497 0.036 35.46 +C(-4) 3.029e-11 + CH4 3.029e-11 3.293e-11 -10.519 -10.482 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 @@ -138975,14 +138249,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.910e-11 - H2 9.549e-12 1.038e-11 -11.020 -10.984 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.926e-11 + H2 9.628e-12 1.047e-11 -11.016 -10.980 0.036 28.61 Hto 5.628e-10 Hto 5.628e-10 5.628e-10 -9.250 -9.250 0.000 (0) I 3.472e-10 @@ -139002,16 +138276,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 3.704e-11 Nat+ 3.704e-11 3.704e-11 -10.431 -10.431 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.458 -70.421 0.036 30.40 -S(-2) 4.592e-08 - HS- 3.212e-08 2.114e-08 -7.493 -7.675 -0.182 21.14 - H2S 1.381e-08 1.501e-08 -7.860 -7.824 0.036 36.27 - S-2 1.305e-13 3.146e-14 -12.884 -13.502 -0.618 (0) - (H2S)2 1.092e-17 1.187e-17 -16.962 -16.925 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.465 -70.429 0.036 30.40 +S(-2) 4.746e-08 + HS- 3.320e-08 2.185e-08 -7.479 -7.660 -0.182 21.14 + H2S 1.427e-08 1.551e-08 -7.846 -7.809 0.036 36.27 + S-2 1.349e-13 3.251e-14 -12.870 -13.488 -0.618 (0) + (H2S)2 1.166e-17 1.268e-17 -16.933 -16.897 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -139038,21 +138311,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.50 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.77 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -139076,7 +138349,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.468e-11 Surface + diffuse layer charge, eq + -9.496e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -139086,7 +138359,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -139095,14 +138368,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6613e-10 + Cl 4.6611e-10 H 1.2949e-04 - Hto 1.1313e-11 + Hto 1.1312e-11 I 5.9849e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2747e-12 + Nat 2.2743e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -139121,30 +138394,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.587e-11 1.129e-11 + Hto 9.586e-11 1.129e-11 I 5.080e-11 5.985e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.871e-12 4.560e-13 + Nat 3.870e-12 4.559e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.175 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.573e-11 + Electrical balance (eq) = -4.171e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -139156,37 +138429,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.900e-11 - CH4 2.900e-11 3.153e-11 -10.538 -10.501 0.036 35.46 +C(-4) 2.998e-11 + CH4 2.998e-11 3.260e-11 -10.523 -10.487 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.905e-11 - H2 9.524e-12 1.035e-11 -11.021 -10.985 0.036 28.61 -Hto 9.587e-11 - Hto 9.587e-11 9.587e-11 -10.018 -10.018 0.000 (0) +H(0) 1.921e-11 + H2 9.604e-12 1.044e-11 -11.018 -10.981 0.036 28.61 +Hto 9.586e-11 + Hto 9.586e-11 9.586e-11 -10.018 -10.018 0.000 (0) I 5.080e-11 I- 5.080e-11 5.080e-11 -10.294 -10.294 -0.000 (0) K 1.540e-03 @@ -139204,16 +138477,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.871e-12 - Nat+ 3.871e-12 3.871e-12 -11.412 -11.412 -0.000 (0) +Nat 3.870e-12 + Nat+ 3.870e-12 3.870e-12 -11.412 -11.412 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.455 -70.419 0.036 30.40 -S(-2) 4.544e-08 - HS- 3.178e-08 2.092e-08 -7.498 -7.679 -0.182 21.14 - H2S 1.366e-08 1.485e-08 -7.865 -7.828 0.036 36.27 - S-2 1.291e-13 3.112e-14 -12.889 -13.507 -0.618 (0) - (H2S)2 1.069e-17 1.162e-17 -16.971 -16.935 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.463 -70.426 0.036 30.40 +S(-2) 4.698e-08 + HS- 3.286e-08 2.163e-08 -7.483 -7.665 -0.182 21.14 + H2S 1.412e-08 1.536e-08 -7.850 -7.814 0.036 36.27 + S-2 1.335e-13 3.218e-14 -12.874 -13.492 -0.618 (0) + (H2S)2 1.143e-17 1.243e-17 -16.942 -16.906 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -139240,21 +138512,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.50 -2.80 CH4 + CH4(g) -7.68 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.77 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.53 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -139278,7 +138550,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.459e-11 Surface + diffuse layer charge, eq + -9.487e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -139288,7 +138560,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -139297,14 +138569,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 1.6591e-12 - I 7.5185e-25 + Hto 1.6589e-12 + I 7.5175e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0252e-13 + Nat 2.0248e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -139328,25 +138600,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.446e-13 4.060e-14 + Nat 3.445e-13 4.059e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.668e-11 + Electrical balance (eq) = -3.661e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -139358,35 +138630,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.877e-11 - CH4 2.877e-11 3.128e-11 -10.541 -10.505 0.036 35.46 +C(-4) 2.976e-11 + CH4 2.976e-11 3.236e-11 -10.526 -10.490 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.901e-11 - H2 9.505e-12 1.033e-11 -11.022 -10.986 0.036 28.61 +H(0) 1.917e-11 + H2 9.586e-12 1.042e-11 -11.018 -10.982 0.036 28.61 Hto 1.406e-11 Hto 1.406e-11 1.406e-11 -10.852 -10.852 0.000 (0) I 6.381e-12 @@ -139406,16 +138678,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.446e-13 - Nat+ 3.446e-13 3.446e-13 -12.463 -12.463 -0.000 (0) +Nat 3.445e-13 + Nat+ 3.445e-13 3.445e-13 -12.463 -12.463 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.454 -70.417 0.036 30.40 -S(-2) 4.509e-08 - HS- 3.153e-08 2.076e-08 -7.501 -7.683 -0.182 21.14 - H2S 1.355e-08 1.474e-08 -7.868 -7.832 0.036 36.27 - S-2 1.281e-13 3.088e-14 -12.892 -13.510 -0.618 (0) - (H2S)2 1.053e-17 1.144e-17 -16.978 -16.941 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.461 -70.425 0.036 30.40 +S(-2) 4.663e-08 + HS- 3.262e-08 2.147e-08 -7.487 -7.668 -0.182 21.14 + H2S 1.402e-08 1.524e-08 -7.853 -7.817 0.036 36.27 + S-2 1.325e-13 3.194e-14 -12.878 -13.496 -0.618 (0) + (H2S)2 1.126e-17 1.224e-17 -16.949 -16.912 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -139425,7 +138696,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -139442,21 +138713,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.50 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.77 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -139480,7 +138751,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.455e-11 Surface + diffuse layer charge, eq + -9.483e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -139490,7 +138761,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -139499,14 +138770,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 2.1109e-13 + Hto 2.1106e-13 I 8.1751e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5522e-14 + Nat 1.5519e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -139530,25 +138801,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.641e-14 3.112e-15 + Nat 2.641e-14 3.111e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.725e-10 + Electrical balance (eq) = -8.220e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -139560,35 +138831,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.869e-11 - CH4 2.869e-11 3.119e-11 -10.542 -10.506 0.036 35.46 +C(-4) 2.968e-11 + CH4 2.968e-11 3.227e-11 -10.528 -10.491 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.900e-11 - H2 9.498e-12 1.033e-11 -11.022 -10.986 0.036 28.61 +H(0) 1.916e-11 + H2 9.579e-12 1.041e-11 -11.019 -10.982 0.036 28.61 Hto 1.789e-12 Hto 1.789e-12 1.789e-12 -11.747 -11.747 0.000 (0) I 6.937e-13 @@ -139608,16 +138879,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.641e-14 Nat+ 2.641e-14 2.641e-14 -13.578 -13.578 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.417 0.036 30.40 -S(-2) 4.496e-08 - HS- 3.144e-08 2.070e-08 -7.502 -7.684 -0.182 21.14 - H2S 1.352e-08 1.469e-08 -7.869 -7.833 0.036 36.27 - S-2 1.277e-13 3.079e-14 -12.894 -13.512 -0.618 (0) - (H2S)2 1.046e-17 1.138e-17 -16.980 -16.944 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 +S(-2) 4.650e-08 + HS- 3.252e-08 2.141e-08 -7.488 -7.669 -0.182 21.14 + H2S 1.398e-08 1.520e-08 -7.855 -7.818 0.036 36.27 + S-2 1.321e-13 3.185e-14 -12.879 -13.497 -0.618 (0) + (H2S)2 1.120e-17 1.217e-17 -16.951 -16.915 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -139627,7 +138897,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -139644,21 +138914,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.77 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -139682,7 +138952,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.455e-11 Surface + diffuse layer charge, eq + -9.483e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -139692,7 +138962,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -139701,14 +138971,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6614e-10 + Cl 4.6612e-10 H 1.2949e-04 - Hto 2.3443e-14 - I 7.7419e-27 + Hto 2.3439e-14 + I 7.7435e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0324e-15 + Nat 1.0321e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -139727,30 +138997,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.987e-13 2.340e-14 + Hto 1.986e-13 2.340e-14 I 6.572e-14 7.742e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.757e-15 2.070e-16 + Nat 1.756e-15 2.069e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.174 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.868e-10 + Electrical balance (eq) = -8.363e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -139762,37 +139032,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.873e-11 - CH4 2.873e-11 3.124e-11 -10.542 -10.505 0.036 35.46 +C(-4) 2.972e-11 + CH4 2.972e-11 3.231e-11 -10.527 -10.491 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.900e-11 - H2 9.502e-12 1.033e-11 -11.022 -10.986 0.036 28.61 -Hto 1.987e-13 - Hto 1.987e-13 1.987e-13 -12.702 -12.702 0.000 (0) +H(0) 1.917e-11 + H2 9.583e-12 1.042e-11 -11.019 -10.982 0.036 28.61 +Hto 1.986e-13 + Hto 1.986e-13 1.986e-13 -12.702 -12.702 0.000 (0) I 6.572e-14 I- 6.572e-14 6.572e-14 -13.182 -13.182 -0.000 (0) K 1.540e-03 @@ -139810,16 +139080,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.757e-15 - Nat+ 1.757e-15 1.757e-15 -14.755 -14.755 -0.000 (0) +Nat 1.756e-15 + Nat+ 1.756e-15 1.756e-15 -14.755 -14.755 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.417 0.036 30.40 -S(-2) 4.503e-08 - HS- 3.149e-08 2.073e-08 -7.502 -7.683 -0.182 21.14 - H2S 1.354e-08 1.472e-08 -7.869 -7.832 0.036 36.27 - S-2 1.279e-13 3.084e-14 -12.893 -13.511 -0.618 (0) - (H2S)2 1.050e-17 1.141e-17 -16.979 -16.943 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.461 -70.424 0.036 30.40 +S(-2) 4.657e-08 + HS- 3.257e-08 2.144e-08 -7.487 -7.669 -0.182 21.14 + H2S 1.400e-08 1.522e-08 -7.854 -7.818 0.036 36.27 + S-2 1.323e-13 3.190e-14 -12.878 -13.496 -0.618 (0) + (H2S)2 1.123e-17 1.221e-17 -16.950 -16.913 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -139829,7 +139098,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.788e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -139846,21 +139115,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.77 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.87 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -139884,7 +139153,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.462e-11 Surface + diffuse layer charge, eq + -9.490e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -139894,7 +139163,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -139903,14 +139172,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6613e-10 + Cl 4.6611e-10 H 1.2949e-04 - Hto 2.2832e-15 + Hto 2.2828e-15 I 6.4233e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.9933e-17 + Nat 5.9916e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -139940,19 +139209,19 @@ Su ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.175 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.005e-09 + Electrical balance (eq) = 6.553e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -139964,35 +139233,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.895e-11 - CH4 2.895e-11 3.147e-11 -10.538 -10.502 0.036 35.46 +C(-4) 2.994e-11 + CH4 2.994e-11 3.255e-11 -10.524 -10.487 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.904e-11 - H2 9.520e-12 1.035e-11 -11.021 -10.985 0.036 28.61 +H(0) 1.920e-11 + H2 9.600e-12 1.044e-11 -11.018 -10.981 0.036 28.61 Hto 1.935e-14 Hto 1.935e-14 1.935e-14 -13.713 -13.713 0.000 (0) I 5.452e-15 @@ -140012,16 +139281,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.020e-16 - Nat+ 1.020e-16 1.020e-16 -15.991 -15.991 -0.000 (0) + Nat+ 1.020e-16 1.020e-16 -15.992 -15.992 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.455 -70.419 0.036 30.40 -S(-2) 4.536e-08 - HS- 3.173e-08 2.088e-08 -7.499 -7.680 -0.182 21.14 - H2S 1.364e-08 1.483e-08 -7.865 -7.829 0.036 36.27 - S-2 1.289e-13 3.107e-14 -12.890 -13.508 -0.618 (0) - (H2S)2 1.065e-17 1.158e-17 -16.973 -16.936 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.462 -70.426 0.036 30.40 +S(-2) 4.691e-08 + HS- 3.281e-08 2.160e-08 -7.484 -7.666 -0.182 21.14 + H2S 1.410e-08 1.533e-08 -7.851 -7.814 0.036 36.27 + S-2 1.333e-13 3.213e-14 -12.875 -13.493 -0.618 (0) + (H2S)2 1.139e-17 1.238e-17 -16.943 -16.907 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -140048,21 +139316,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.50 -2.80 CH4 + CH4(g) -7.69 -10.49 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.77 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.53 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.01 4.88 S + Sulfur -4.87 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -140086,7 +139354,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.472e-11 Surface + diffuse layer charge, eq + -9.500e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -140096,7 +139364,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -140105,14 +139373,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6613e-10 + Cl 4.6611e-10 H 1.2949e-04 - Hto 1.9569e-16 - I 4.6851e-29 + Hto 1.9566e-16 + I 4.6839e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0506e-18 + Nat 3.0497e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -140131,30 +139399,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.658e-15 1.954e-16 + Hto 1.658e-15 1.953e-16 I 3.975e-16 4.683e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.191e-18 6.116e-19 + Nat 5.189e-18 6.114e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- - pH = 7.090 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pH = 7.091 Charge balance + pe = -3.175 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.802e-10 + Electrical balance (eq) = -9.299e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -140166,17 +139434,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.932e-11 - CH4 2.932e-11 3.187e-11 -10.533 -10.497 0.036 35.46 +C(-4) 3.030e-11 + CH4 3.030e-11 3.295e-11 -10.519 -10.482 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 @@ -140187,14 +139455,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.910e-11 - H2 9.550e-12 1.038e-11 -11.020 -10.984 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.926e-11 + H2 9.629e-12 1.047e-11 -11.016 -10.980 0.036 28.61 Hto 1.658e-15 Hto 1.658e-15 1.658e-15 -14.780 -14.780 0.000 (0) I 3.975e-16 @@ -140214,16 +139482,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.191e-18 - Nat+ 5.191e-18 5.191e-18 -17.285 -17.285 -0.000 (0) +Nat 5.189e-18 + Nat+ 5.189e-18 5.189e-18 -17.285 -17.285 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.458 -70.421 0.036 30.40 -S(-2) 4.594e-08 - HS- 3.213e-08 2.115e-08 -7.493 -7.675 -0.182 21.14 - H2S 1.381e-08 1.501e-08 -7.860 -7.823 0.036 36.27 - S-2 1.305e-13 3.146e-14 -12.884 -13.502 -0.618 (0) - (H2S)2 1.093e-17 1.188e-17 -16.962 -16.925 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.465 -70.429 0.036 30.40 +S(-2) 4.748e-08 + HS- 3.321e-08 2.186e-08 -7.479 -7.660 -0.182 21.14 + H2S 1.427e-08 1.552e-08 -7.845 -7.809 0.036 36.27 + S-2 1.349e-13 3.252e-14 -12.870 -13.488 -0.618 (0) + (H2S)2 1.167e-17 1.269e-17 -16.933 -16.897 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -140250,21 +139517,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.50 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.77 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -140288,7 +139555,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.480e-11 Surface + diffuse layer charge, eq + -9.509e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -140298,7 +139565,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -140307,14 +139574,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 1.4797e-17 - I 3.0098e-30 + Hto 1.4794e-17 + I 3.0102e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3658e-19 + Nat 1.3653e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -140338,25 +139605,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.324e-19 2.738e-20 + Nat 2.323e-19 2.737e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.815e-10 + Electrical balance (eq) = -9.314e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -140370,33 +139637,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.955e-11 - CH4 2.955e-11 3.213e-11 -10.529 -10.493 0.036 35.46 +C(-4) 3.054e-11 + CH4 3.054e-11 3.320e-11 -10.515 -10.479 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.914e-11 - H2 9.569e-12 1.040e-11 -11.019 -10.983 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.930e-11 + H2 9.648e-12 1.049e-11 -11.016 -10.979 0.036 28.61 Hto 1.254e-16 Hto 1.254e-16 1.254e-16 -15.902 -15.902 0.000 (0) I 2.555e-17 @@ -140416,16 +139683,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.324e-19 - Nat+ 2.324e-19 2.324e-19 -18.634 -18.634 -0.000 (0) +Nat 2.323e-19 + Nat+ 2.323e-19 2.323e-19 -18.634 -18.634 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.459 -70.423 0.036 30.40 -S(-2) 4.630e-08 - HS- 3.239e-08 2.132e-08 -7.490 -7.671 -0.182 21.14 - H2S 1.392e-08 1.513e-08 -7.856 -7.820 0.036 36.27 - S-2 1.316e-13 3.172e-14 -12.881 -13.499 -0.618 (0) - (H2S)2 1.110e-17 1.207e-17 -16.955 -16.918 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.430 0.036 30.40 +S(-2) 4.785e-08 + HS- 3.347e-08 2.203e-08 -7.475 -7.657 -0.182 21.14 + H2S 1.438e-08 1.564e-08 -7.842 -7.806 0.036 36.27 + S-2 1.360e-13 3.278e-14 -12.867 -13.484 -0.618 (0) + (H2S)2 1.185e-17 1.289e-17 -16.926 -16.890 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -140434,13 +139700,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -140452,21 +139718,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -140490,7 +139756,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.483e-11 Surface + diffuse layer charge, eq + -9.511e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -140500,7 +139766,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -140509,14 +139775,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 9.8851e-19 - I 1.7078e-31 + Hto 9.8830e-19 + I 1.7081e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3892e-21 + Nat 5.3872e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -140535,30 +139801,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.377e-18 9.869e-19 + Hto 8.375e-18 9.867e-19 I 1.450e-18 1.708e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.170e-21 1.080e-21 + Nat 9.167e-21 1.080e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.819e-10 + Electrical balance (eq) = -9.316e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -140572,35 +139838,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.963e-11 - CH4 2.963e-11 3.222e-11 -10.528 -10.492 0.036 35.46 +C(-4) 3.062e-11 + CH4 3.062e-11 3.329e-11 -10.514 -10.478 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.915e-11 - H2 9.575e-12 1.041e-11 -11.019 -10.983 0.036 28.61 -Hto 8.377e-18 - Hto 8.377e-18 8.377e-18 -17.077 -17.077 0.000 (0) + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.931e-11 + H2 9.654e-12 1.050e-11 -11.015 -10.979 0.036 28.61 +Hto 8.375e-18 + Hto 8.375e-18 8.375e-18 -17.077 -17.077 0.000 (0) I 1.450e-18 I- 1.450e-18 1.450e-18 -17.839 -17.839 -0.000 (0) K 1.540e-03 @@ -140618,16 +139884,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.170e-21 - Nat+ 9.170e-21 9.170e-21 -20.038 -20.038 -0.000 (0) +Nat 9.167e-21 + Nat+ 9.167e-21 9.167e-21 -20.038 -20.038 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 -S(-2) 4.643e-08 - HS- 3.248e-08 2.138e-08 -7.488 -7.670 -0.182 21.14 - H2S 1.396e-08 1.518e-08 -7.855 -7.819 0.036 36.27 - S-2 1.319e-13 3.180e-14 -12.880 -13.498 -0.618 (0) - (H2S)2 1.116e-17 1.214e-17 -16.952 -16.916 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 +S(-2) 4.798e-08 + HS- 3.356e-08 2.209e-08 -7.474 -7.656 -0.182 21.14 + H2S 1.442e-08 1.568e-08 -7.841 -7.805 0.036 36.27 + S-2 1.363e-13 3.286e-14 -12.865 -13.483 -0.618 (0) + (H2S)2 1.192e-17 1.296e-17 -16.924 -16.887 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -140636,13 +139901,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -140654,21 +139919,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -140692,7 +139957,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.483e-11 Surface + diffuse layer charge, eq + -9.511e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -140702,7 +139967,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -140711,14 +139976,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 5.8379e-20 + Hto 5.8366e-20 I 8.5599e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8751e-22 + Nat 1.8743e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -140737,30 +140002,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.947e-19 5.829e-20 + Hto 4.946e-19 5.827e-20 I 7.266e-20 8.560e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.191e-22 3.759e-23 + Nat 3.189e-22 3.757e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.820e-10 + Electrical balance (eq) = -9.316e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -140774,35 +140039,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.965e-11 - CH4 2.965e-11 3.224e-11 -10.528 -10.492 0.036 35.46 +C(-4) 3.064e-11 + CH4 3.064e-11 3.331e-11 -10.514 -10.477 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.915e-11 - H2 9.577e-12 1.041e-11 -11.019 -10.982 0.036 28.61 -Hto 4.947e-19 - Hto 4.947e-19 4.947e-19 -18.306 -18.306 0.000 (0) + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.931e-11 + H2 9.656e-12 1.050e-11 -11.015 -10.979 0.036 28.61 +Hto 4.946e-19 + Hto 4.946e-19 4.946e-19 -18.306 -18.306 0.000 (0) I 7.266e-20 I- 7.266e-20 7.266e-20 -19.139 -19.139 -0.000 (0) K 1.540e-03 @@ -140820,16 +140085,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.191e-22 - Nat+ 3.191e-22 3.191e-22 -21.496 -21.496 -0.000 (0) +Nat 3.189e-22 + Nat+ 3.189e-22 3.189e-22 -21.496 -21.496 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 -S(-2) 4.646e-08 - HS- 3.250e-08 2.139e-08 -7.488 -7.670 -0.182 21.14 - H2S 1.397e-08 1.519e-08 -7.855 -7.819 0.036 36.27 - S-2 1.320e-13 3.182e-14 -12.879 -13.497 -0.618 (0) - (H2S)2 1.118e-17 1.215e-17 -16.952 -16.915 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 +S(-2) 4.801e-08 + HS- 3.358e-08 2.210e-08 -7.474 -7.656 -0.182 21.14 + H2S 1.443e-08 1.569e-08 -7.841 -7.804 0.036 36.27 + S-2 1.364e-13 3.289e-14 -12.865 -13.483 -0.618 (0) + (H2S)2 1.193e-17 1.297e-17 -16.923 -16.887 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -140838,13 +140102,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -140856,21 +140120,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -140894,7 +140158,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.483e-11 Surface + diffuse layer charge, eq + -9.511e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -140904,7 +140168,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -140913,14 +140177,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 3.0469e-21 - I 3.7889e-34 + Hto 3.0462e-21 + I 3.7893e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.5883e-24 + Nat 5.5859e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -140939,30 +140203,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.582e-20 3.042e-21 + Hto 2.581e-20 3.041e-21 I 3.216e-21 3.789e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.509e-24 1.120e-24 + Nat 9.505e-24 1.120e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.816e-10 + Electrical balance (eq) = -9.316e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -140976,35 +140240,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.966e-11 - CH4 2.966e-11 3.224e-11 -10.528 -10.492 0.036 35.46 +C(-4) 3.064e-11 + CH4 3.064e-11 3.332e-11 -10.514 -10.477 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.915e-11 - H2 9.577e-12 1.041e-11 -11.019 -10.982 0.036 28.61 -Hto 2.582e-20 - Hto 2.582e-20 2.582e-20 -19.588 -19.588 0.000 (0) + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.931e-11 + H2 9.656e-12 1.050e-11 -11.015 -10.979 0.036 28.61 +Hto 2.581e-20 + Hto 2.581e-20 2.581e-20 -19.588 -19.588 0.000 (0) I 3.216e-21 I- 3.216e-21 3.216e-21 -20.493 -20.493 -0.000 (0) K 1.540e-03 @@ -141022,16 +140286,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.509e-24 - Nat+ 9.509e-24 9.509e-24 -23.022 -23.022 -0.000 (0) +Nat 9.505e-24 + Nat+ 9.505e-24 9.505e-24 -23.022 -23.022 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 -S(-2) 4.647e-08 - HS- 3.250e-08 2.139e-08 -7.488 -7.670 -0.182 21.14 - H2S 1.397e-08 1.519e-08 -7.855 -7.819 0.036 36.27 - S-2 1.320e-13 3.183e-14 -12.879 -13.497 -0.618 (0) - (H2S)2 1.118e-17 1.215e-17 -16.952 -16.915 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 +S(-2) 4.801e-08 + HS- 3.358e-08 2.211e-08 -7.474 -7.655 -0.182 21.14 + H2S 1.443e-08 1.569e-08 -7.841 -7.804 0.036 36.27 + S-2 1.364e-13 3.289e-14 -12.865 -13.483 -0.618 (0) + (H2S)2 1.193e-17 1.298e-17 -16.923 -16.887 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -141040,13 +140303,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -141058,21 +140321,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -141096,7 +140359,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.483e-11 Surface + diffuse layer charge, eq + -9.511e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -141106,7 +140369,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -141115,10 +140378,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 1.4032e-22 - I 1.4744e-35 + Hto 1.4028e-22 + I 1.4741e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -141151,18 +140414,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.818e-10 + Electrical balance (eq) = -9.316e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -141176,33 +140439,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.966e-11 - CH4 2.966e-11 3.224e-11 -10.528 -10.492 0.036 35.46 +C(-4) 3.064e-11 + CH4 3.064e-11 3.332e-11 -10.514 -10.477 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.915e-11 - H2 9.577e-12 1.041e-11 -11.019 -10.982 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.931e-11 + H2 9.656e-12 1.050e-11 -11.015 -10.979 0.036 28.61 Hto 1.189e-21 Hto 1.189e-21 1.189e-21 -20.925 -20.925 0.000 (0) I 1.251e-22 @@ -141222,14 +140485,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 -S(-2) 4.647e-08 - HS- 3.250e-08 2.140e-08 -7.488 -7.670 -0.182 21.14 - H2S 1.397e-08 1.519e-08 -7.855 -7.819 0.036 36.27 - S-2 1.320e-13 3.183e-14 -12.879 -13.497 -0.618 (0) - (H2S)2 1.118e-17 1.215e-17 -16.952 -16.915 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 +S(-2) 4.801e-08 + HS- 3.358e-08 2.211e-08 -7.474 -7.655 -0.182 21.14 + H2S 1.443e-08 1.569e-08 -7.841 -7.804 0.036 36.27 + S-2 1.364e-13 3.289e-14 -12.865 -13.483 -0.618 (0) + (H2S)2 1.193e-17 1.298e-17 -16.923 -16.887 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -141238,13 +140500,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -141256,21 +140518,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -141294,7 +140556,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.483e-11 Surface + diffuse layer charge, eq + -9.511e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -141304,7 +140566,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -141313,10 +140575,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 5.6187e-24 - I 4.3172e-37 + Hto 5.6171e-24 + I 4.3181e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -141338,7 +140600,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.762e-23 5.610e-24 + Hto 4.760e-23 5.608e-24 I 3.664e-24 4.317e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -141349,18 +140611,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.817e-10 + Electrical balance (eq) = -9.316e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -141374,35 +140636,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.966e-11 - CH4 2.966e-11 3.224e-11 -10.528 -10.492 0.036 35.46 +C(-4) 3.064e-11 + CH4 3.064e-11 3.332e-11 -10.514 -10.477 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.915e-11 - H2 9.577e-12 1.041e-11 -11.019 -10.982 0.036 28.61 -Hto 4.762e-23 - Hto 4.762e-23 4.762e-23 -22.322 -22.322 0.000 (0) + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.931e-11 + H2 9.656e-12 1.050e-11 -11.015 -10.979 0.036 28.61 +Hto 4.760e-23 + Hto 4.760e-23 4.760e-23 -22.322 -22.322 0.000 (0) I 3.664e-24 I- 3.664e-24 3.664e-24 -23.436 -23.436 -0.000 (0) K 1.540e-03 @@ -141420,14 +140682,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 -S(-2) 4.647e-08 - HS- 3.250e-08 2.140e-08 -7.488 -7.670 -0.182 21.14 - H2S 1.397e-08 1.519e-08 -7.855 -7.819 0.036 36.27 - S-2 1.320e-13 3.183e-14 -12.879 -13.497 -0.618 (0) - (H2S)2 1.118e-17 1.216e-17 -16.952 -16.915 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 +S(-2) 4.801e-08 + HS- 3.358e-08 2.211e-08 -7.474 -7.655 -0.182 21.14 + H2S 1.443e-08 1.569e-08 -7.841 -7.804 0.036 36.27 + S-2 1.364e-13 3.289e-14 -12.865 -13.483 -0.618 (0) + (H2S)2 1.193e-17 1.298e-17 -16.923 -16.887 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -141436,13 +140697,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -141454,21 +140715,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -141492,7 +140753,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.483e-11 Surface + diffuse layer charge, eq + -9.511e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -141502,7 +140763,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -141511,9 +140772,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 1.2685e-25 + Hto 1.2681e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -141545,18 +140806,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.820e-10 + Electrical balance (eq) = -9.316e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -141570,33 +140831,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.966e-11 - CH4 2.966e-11 3.224e-11 -10.528 -10.492 0.036 35.46 +C(-4) 3.064e-11 + CH4 3.064e-11 3.332e-11 -10.514 -10.477 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.915e-11 - H2 9.577e-12 1.041e-11 -11.019 -10.982 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.931e-11 + H2 9.656e-12 1.050e-11 -11.015 -10.979 0.036 28.61 Hto 1.075e-24 Hto 1.075e-24 1.075e-24 -23.969 -23.969 0.000 (0) K 1.540e-03 @@ -141614,14 +140875,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.460 -70.424 0.036 30.40 -S(-2) 4.647e-08 - HS- 3.250e-08 2.140e-08 -7.488 -7.670 -0.182 21.14 - H2S 1.397e-08 1.519e-08 -7.855 -7.818 0.036 36.27 - S-2 1.320e-13 3.183e-14 -12.879 -13.497 -0.618 (0) - (H2S)2 1.118e-17 1.216e-17 -16.952 -16.915 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 +S(-2) 4.801e-08 + HS- 3.358e-08 2.211e-08 -7.474 -7.655 -0.182 21.14 + H2S 1.443e-08 1.569e-08 -7.841 -7.804 0.036 36.27 + S-2 1.364e-13 3.289e-14 -12.865 -13.483 -0.618 (0) + (H2S)2 1.193e-17 1.298e-17 -16.923 -16.887 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -141630,13 +140890,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -141648,21 +140908,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -141692,18 +140952,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -141717,8 +140977,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -141742,8 +141002,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -141763,16 +141023,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -141799,21 +141058,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -141841,18 +141100,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -141866,8 +141125,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -141891,8 +141150,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -141912,16 +141171,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -141948,21 +141206,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -141992,25 +141250,25 @@ Kinetics 3. K 1.540e-03 7.700e-04 Mg 1.720e-02 8.600e-03 Na 2.390e-01 1.195e-01 - Nat 3.228e-07 1.614e-07 + Nat 3.229e-07 1.614e-07 S 1.260e-02 6.300e-03 Sr 5.000e-04 2.500e-04 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.017 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.015 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.996e-12 + Electrical balance (eq) = -9.523e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -142024,8 +141282,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.667e-12 - CH4 1.667e-12 1.812e-12 -11.778 -11.742 0.036 35.46 +C(-4) 1.583e-12 + CH4 1.583e-12 1.722e-12 -11.800 -11.764 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -142037,7 +141295,7 @@ C(4) 2.744e-03 MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -142049,8 +141307,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.324e-12 - H2 4.662e-12 5.069e-12 -11.331 -11.295 0.036 28.61 +H(0) 9.205e-12 + H2 4.603e-12 5.004e-12 -11.337 -11.301 0.036 28.61 Hto 5.607e-07 Hto 5.607e-07 5.607e-07 -6.251 -6.251 0.000 (0) I 7.317e-07 @@ -142070,16 +141328,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 3.228e-07 - Nat+ 3.228e-07 3.228e-07 -6.491 -6.491 -0.000 (0) +Nat 3.229e-07 + Nat+ 3.229e-07 3.229e-07 -6.491 -6.491 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.835 -69.799 0.036 30.40 -S(-2) 2.613e-09 - HS- 1.827e-09 1.203e-09 -8.738 -8.920 -0.182 21.14 - H2S 7.861e-10 8.547e-10 -9.105 -9.068 0.036 36.27 - S-2 7.415e-15 1.787e-15 -14.130 -14.748 -0.618 (0) - (H2S)2 3.540e-20 3.849e-20 -19.451 -19.415 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.824 -69.787 0.036 30.40 +S(-2) 2.482e-09 + HS- 1.735e-09 1.142e-09 -8.761 -8.942 -0.182 21.14 + H2S 7.468e-10 8.119e-10 -9.127 -9.090 0.036 36.27 + S-2 7.043e-15 1.698e-15 -14.152 -14.770 -0.618 (0) + (H2S)2 3.195e-20 3.474e-20 -19.496 -19.459 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -142094,7 +141351,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.098e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.077e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -142106,21 +141363,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.94 -11.74 -2.80 CH4 + CH4(g) -8.96 -11.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.19 -11.30 -3.10 H2 + H2(g) -8.20 -11.30 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.07 -16.01 -7.94 H2S + H2S(g) -8.10 -16.03 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.91 -69.80 -2.89 O2 + O2(g) -66.90 -69.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.81 -0.92 4.88 S + Sulfur -5.82 -0.94 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -142144,7 +141401,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.530e-14 Surface + diffuse layer charge, eq + -4.480e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -142154,7 +141411,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -142163,7 +141420,7 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6655e-10 + Cl 4.6656e-10 H 1.2947e-04 Hto 5.6147e-08 I 7.3626e-20 @@ -142201,18 +141458,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.085 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.084 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.949e-09 + Electrical balance (eq) = 1.681e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -142224,10 +141481,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.730e-12 - CH4 5.730e-12 6.230e-12 -11.242 -11.206 0.036 35.46 +C(-4) 5.634e-12 + CH4 5.634e-12 6.125e-12 -11.249 -11.213 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -142251,8 +141508,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.270e-11 - H2 6.348e-12 6.902e-12 -11.197 -11.161 0.036 28.61 +H(0) 1.264e-11 + H2 6.322e-12 6.873e-12 -11.199 -11.163 0.036 28.61 Hto 4.758e-07 Hto 4.758e-07 4.758e-07 -6.323 -6.323 0.000 (0) I 6.249e-07 @@ -142272,16 +141529,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.828e-07 Nat+ 2.828e-07 2.828e-07 -6.549 -6.549 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.103 -70.067 0.036 30.40 -S(-2) 8.983e-09 - HS- 6.281e-09 4.135e-09 -8.202 -8.384 -0.182 21.14 - H2S 2.702e-09 2.938e-09 -8.568 -8.532 0.036 36.27 - S-2 2.549e-14 6.145e-15 -13.594 -14.211 -0.618 (0) - (H2S)2 4.183e-19 4.548e-19 -18.379 -18.342 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.099 -70.063 0.036 30.40 +S(-2) 8.831e-09 + HS- 6.175e-09 4.065e-09 -8.209 -8.391 -0.182 21.14 + H2S 2.656e-09 2.888e-09 -8.576 -8.539 0.036 36.27 + S-2 2.506e-14 6.041e-15 -13.601 -14.219 -0.618 (0) + (H2S)2 4.043e-19 4.396e-19 -18.393 -18.357 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -142308,21 +141564,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.40 -11.21 -2.80 CH4 + CH4(g) -8.41 -11.21 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.06 -11.16 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.54 -15.47 -7.94 H2S + H2S(g) -7.54 -15.48 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.17 -70.07 -2.89 O2 + O2(g) -67.17 -70.06 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.40 -0.52 4.88 S + Sulfur -5.41 -0.53 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -142346,7 +141602,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.339e-11 Surface + diffuse layer charge, eq + -9.335e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -142356,7 +141612,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -142365,14 +141621,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6625e-10 + Cl 4.6626e-10 H 1.2949e-04 Hto 3.2125e-08 - I 3.8500e-20 + I 3.8494e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.0656e-08 + Nat 8.0655e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -142404,17 +141660,17 @@ Su pH = 7.090 Charge balance pe = -3.158 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.195e-10 + Electrical balance (eq) = 3.606e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -142428,8 +141684,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.192e-11 - CH4 2.192e-11 2.383e-11 -10.659 -10.623 0.036 35.46 +C(-4) 2.187e-11 + CH4 2.187e-11 2.378e-11 -10.660 -10.624 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -142449,12 +141705,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.776e-11 - H2 8.880e-12 9.654e-12 -11.052 -11.015 0.036 28.61 +H(0) 1.775e-11 + H2 8.874e-12 9.649e-12 -11.052 -11.016 0.036 28.61 Hto 2.722e-07 Hto 2.722e-07 2.722e-07 -6.565 -6.565 0.000 (0) I 3.267e-07 @@ -142474,16 +141730,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.372e-07 Nat+ 1.372e-07 1.372e-07 -6.863 -6.863 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.395 -70.358 0.036 30.40 -S(-2) 3.435e-08 - HS- 2.402e-08 1.581e-08 -7.619 -7.801 -0.182 21.14 - H2S 1.033e-08 1.123e-08 -7.986 -7.950 0.036 36.27 - S-2 9.757e-14 2.352e-14 -13.011 -13.629 -0.618 (0) - (H2S)2 6.111e-18 6.644e-18 -17.214 -17.178 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.394 -70.358 0.036 30.40 +S(-2) 3.427e-08 + HS- 2.397e-08 1.578e-08 -7.620 -7.802 -0.182 21.14 + H2S 1.030e-08 1.120e-08 -7.987 -7.951 0.036 36.27 + S-2 9.734e-14 2.346e-14 -13.012 -13.630 -0.618 (0) + (H2S)2 6.083e-18 6.614e-18 -17.216 -17.180 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -142493,7 +141748,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.559e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.790e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -142524,7 +141779,7 @@ Sr 5.000e-04 Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.47 -70.36 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.97 -0.08 4.88 S + Sulfur -4.97 -0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -142548,7 +141803,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.535e-11 Surface + diffuse layer charge, eq + -9.538e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -142558,7 +141813,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -142567,14 +141822,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6615e-10 + Cl 4.6614e-10 H 1.2949e-04 Hto 1.4437e-08 I 1.5511e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6974e-08 + Nat 2.6973e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -142606,17 +141861,17 @@ Su pH = 7.090 Charge balance pe = -3.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.766e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -142630,8 +141885,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.786e-11 - CH4 2.786e-11 3.029e-11 -10.555 -10.519 0.036 35.46 +C(-4) 2.815e-11 + CH4 2.815e-11 3.061e-11 -10.550 -10.514 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -142655,8 +141910,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.886e-11 - H2 9.428e-12 1.025e-11 -11.026 -10.989 0.036 28.61 +H(0) 1.891e-11 + H2 9.454e-12 1.028e-11 -11.024 -10.988 0.036 28.61 Hto 1.223e-07 Hto 1.223e-07 1.223e-07 -6.912 -6.912 0.000 (0) I 1.317e-07 @@ -142676,16 +141931,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 4.590e-08 Nat+ 4.590e-08 4.590e-08 -7.338 -7.338 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.447 -70.410 0.036 30.40 -S(-2) 4.365e-08 - HS- 3.053e-08 2.010e-08 -7.515 -7.697 -0.182 21.14 - H2S 1.312e-08 1.427e-08 -7.882 -7.846 0.036 36.27 - S-2 1.240e-13 2.989e-14 -12.907 -13.524 -0.618 (0) - (H2S)2 9.864e-18 1.072e-17 -17.006 -16.970 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.449 -70.413 0.036 30.40 +S(-2) 4.412e-08 + HS- 3.085e-08 2.031e-08 -7.511 -7.692 -0.182 21.14 + H2S 1.326e-08 1.442e-08 -7.877 -7.841 0.036 36.27 + S-2 1.253e-13 3.022e-14 -12.902 -13.520 -0.618 (0) + (H2S)2 1.008e-17 1.096e-17 -16.997 -16.960 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -142701,7 +141955,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.085e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -142712,21 +141966,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.72 -10.52 -2.80 CH4 + CH4(g) -7.71 -10.51 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.89 -10.99 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.85 -14.79 -7.94 H2S + H2S(g) -6.85 -14.78 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.89 -0.01 4.88 S + Sulfur -4.88 -0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -142750,7 +142004,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.546e-11 Surface + diffuse layer charge, eq + -9.565e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -142760,7 +142014,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -142769,14 +142023,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6611e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 5.1992e-09 + Hto 5.1990e-09 I 4.9366e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.6928e-09 + Nat 6.6924e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -142807,18 +142061,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.175 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.811e-10 + Electrical balance (eq) = -1.030e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -142832,33 +142086,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.986e-11 - CH4 2.986e-11 3.247e-11 -10.525 -10.489 0.036 35.46 +C(-4) 3.054e-11 + CH4 3.054e-11 3.320e-11 -10.515 -10.479 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.919e-11 - H2 9.594e-12 1.043e-11 -11.018 -10.982 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.930e-11 + H2 9.648e-12 1.049e-11 -11.016 -10.979 0.036 28.61 Hto 4.406e-08 Hto 4.406e-08 4.406e-08 -7.356 -7.356 0.000 (0) I 4.190e-08 @@ -142878,16 +142132,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.139e-08 Nat+ 1.139e-08 1.139e-08 -7.944 -7.944 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.462 -70.425 0.036 30.40 -S(-2) 4.679e-08 - HS- 3.273e-08 2.154e-08 -7.485 -7.667 -0.182 21.14 - H2S 1.407e-08 1.529e-08 -7.852 -7.816 0.036 36.27 - S-2 1.330e-13 3.205e-14 -12.876 -13.494 -0.618 (0) - (H2S)2 1.134e-17 1.232e-17 -16.946 -16.909 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.467 -70.430 0.036 30.40 +S(-2) 4.785e-08 + HS- 3.346e-08 2.203e-08 -7.475 -7.657 -0.182 21.14 + H2S 1.438e-08 1.564e-08 -7.842 -7.806 0.036 36.27 + S-2 1.360e-13 3.277e-14 -12.867 -13.484 -0.618 (0) + (H2S)2 1.185e-17 1.289e-17 -16.926 -16.890 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -142896,13 +142149,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -142914,21 +142167,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.43 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.02 4.88 S + Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -142952,7 +142205,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.529e-11 Surface + diffuse layer charge, eq + -9.556e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -142962,7 +142215,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -142971,14 +142224,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6611e-10 + Cl 4.6609e-10 H 1.2949e-04 - Hto 1.5310e-09 - I 1.2714e-21 + Hto 1.5309e-09 + I 1.2712e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2949e-09 + Nat 1.2948e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -142997,7 +142250,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.297e-08 1.529e-09 + Hto 1.297e-08 1.528e-09 I 1.079e-08 1.271e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -143009,18 +142262,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.177 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.787e-10 + Electrical balance (eq) = -1.028e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -143032,22 +142285,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.044e-11 - CH4 3.044e-11 3.309e-11 -10.517 -10.480 0.036 35.46 +C(-4) 3.132e-11 + CH4 3.132e-11 3.405e-11 -10.504 -10.468 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -143059,8 +142312,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.928e-11 - H2 9.640e-12 1.048e-11 -11.016 -10.980 0.036 28.61 +H(0) 1.942e-11 + H2 9.709e-12 1.056e-11 -11.013 -10.976 0.036 28.61 Hto 1.297e-08 Hto 1.297e-08 1.297e-08 -7.887 -7.887 0.000 (0) I 1.079e-08 @@ -143080,18 +142333,17 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.203e-09 Nat+ 2.203e-09 2.203e-09 -8.657 -8.657 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.466 -70.430 0.036 30.40 -S(-2) 4.769e-08 - HS- 3.336e-08 2.196e-08 -7.477 -7.658 -0.182 21.14 - H2S 1.434e-08 1.559e-08 -7.844 -7.807 0.036 36.27 - S-2 1.355e-13 3.267e-14 -12.868 -13.486 -0.618 (0) - (H2S)2 1.178e-17 1.280e-17 -16.929 -16.893 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.472 -70.436 0.036 30.40 +S(-2) 4.908e-08 + HS- 3.432e-08 2.260e-08 -7.464 -7.646 -0.182 21.14 + H2S 1.475e-08 1.604e-08 -7.831 -7.795 0.036 36.27 + S-2 1.395e-13 3.362e-14 -12.856 -13.473 -0.618 (0) + (H2S)2 1.247e-17 1.356e-17 -16.904 -16.868 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -143104,7 +142356,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -143116,21 +142368,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.67 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.54 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -143154,7 +142406,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.517e-11 Surface + diffuse layer charge, eq + -9.545e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -143164,7 +142416,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -143173,14 +142425,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6609e-10 H 1.2949e-04 - Hto 3.7520e-10 - I 2.7038e-22 + Hto 3.7518e-10 + I 2.7044e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0220e-10 + Nat 2.0217e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -143199,30 +142451,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.180e-09 3.746e-10 + Hto 3.179e-09 3.746e-10 I 2.295e-09 2.704e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.441e-10 4.053e-11 + Nat 3.440e-10 4.053e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.770e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -143234,22 +142486,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.050e-11 - CH4 3.050e-11 3.316e-11 -10.516 -10.479 0.036 35.46 +C(-4) 3.146e-11 + CH4 3.146e-11 3.421e-11 -10.502 -10.466 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -143261,10 +142513,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.929e-11 - H2 9.645e-12 1.049e-11 -11.016 -10.979 0.036 28.61 -Hto 3.180e-09 - Hto 3.180e-09 3.180e-09 -8.498 -8.498 0.000 (0) +H(0) 1.944e-11 + H2 9.720e-12 1.057e-11 -11.012 -10.976 0.036 28.61 +Hto 3.179e-09 + Hto 3.179e-09 3.179e-09 -8.498 -8.498 0.000 (0) I 2.295e-09 I- 2.295e-09 2.295e-09 -8.639 -8.639 -0.000 (0) K 1.540e-03 @@ -143276,22 +142528,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.441e-10 - Nat+ 3.441e-10 3.441e-10 -9.463 -9.463 -0.000 (0) +Nat 3.440e-10 + Nat+ 3.440e-10 3.440e-10 -9.463 -9.463 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.466 -70.430 0.036 30.40 -S(-2) 4.780e-08 - HS- 3.343e-08 2.201e-08 -7.476 -7.657 -0.182 21.14 - H2S 1.437e-08 1.562e-08 -7.843 -7.806 0.036 36.27 - S-2 1.358e-13 3.274e-14 -12.867 -13.485 -0.618 (0) - (H2S)2 1.183e-17 1.286e-17 -16.927 -16.891 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.473 -70.437 0.036 30.40 +S(-2) 4.930e-08 + HS- 3.448e-08 2.270e-08 -7.462 -7.644 -0.182 21.14 + H2S 1.482e-08 1.611e-08 -7.829 -7.793 0.036 36.27 + S-2 1.401e-13 3.377e-14 -12.854 -13.471 -0.618 (0) + (H2S)2 1.258e-17 1.368e-17 -16.900 -16.864 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -143306,7 +142557,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -143318,21 +142569,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.54 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -143356,7 +142607,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.508e-11 Surface + diffuse layer charge, eq + -9.536e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -143366,7 +142617,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -143375,14 +142626,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6611e-10 + Cl 4.6609e-10 H 1.2949e-04 - Hto 7.7653e-11 - I 4.8306e-23 + Hto 7.7647e-11 + I 4.8300e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6112e-11 + Nat 2.6108e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -143401,30 +142652,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.581e-10 7.753e-11 + Hto 6.580e-10 7.752e-11 I 4.100e-10 4.830e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.443e-11 5.235e-12 + Nat 4.443e-11 5.234e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.177 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.762e-10 + Electrical balance (eq) = -1.026e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -143436,37 +142687,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.032e-11 - CH4 3.032e-11 3.297e-11 -10.518 -10.482 0.036 35.46 +C(-4) 3.131e-11 + CH4 3.131e-11 3.404e-11 -10.504 -10.468 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.926e-11 - H2 9.631e-12 1.047e-11 -11.016 -10.980 0.036 28.61 -Hto 6.581e-10 - Hto 6.581e-10 6.581e-10 -9.182 -9.182 0.000 (0) +H(0) 1.942e-11 + H2 9.708e-12 1.055e-11 -11.013 -10.977 0.036 28.61 +Hto 6.580e-10 + Hto 6.580e-10 6.580e-10 -9.182 -9.182 0.000 (0) I 4.100e-10 I- 4.100e-10 4.100e-10 -9.387 -9.387 -0.000 (0) K 1.540e-03 @@ -143484,16 +142735,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 4.443e-11 Nat+ 4.443e-11 4.443e-11 -10.352 -10.352 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.465 -70.429 0.036 30.40 -S(-2) 4.752e-08 - HS- 3.323e-08 2.188e-08 -7.478 -7.660 -0.182 21.14 - H2S 1.428e-08 1.553e-08 -7.845 -7.809 0.036 36.27 - S-2 1.350e-13 3.255e-14 -12.870 -13.488 -0.618 (0) - (H2S)2 1.169e-17 1.271e-17 -16.932 -16.896 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.472 -70.436 0.036 30.40 +S(-2) 4.905e-08 + HS- 3.431e-08 2.258e-08 -7.465 -7.646 -0.182 21.14 + H2S 1.474e-08 1.603e-08 -7.831 -7.795 0.036 36.27 + S-2 1.394e-13 3.360e-14 -12.856 -13.474 -0.618 (0) + (H2S)2 1.246e-17 1.354e-17 -16.905 -16.868 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -143502,13 +142752,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -143520,21 +142770,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.67 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.54 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -143558,7 +142808,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.497e-11 Surface + diffuse layer charge, eq + -9.525e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -143568,7 +142818,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -143577,14 +142827,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6611e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 1.3735e-11 + Hto 1.3734e-11 I 7.3445e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8399e-12 + Nat 2.8394e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -143608,25 +142858,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.832e-12 5.693e-13 + Nat 4.832e-12 5.692e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.175 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.177 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.604e-10 + Electrical balance (eq) = -5.120e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -143638,35 +142888,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.002e-11 - CH4 3.002e-11 3.264e-11 -10.523 -10.486 0.036 35.46 +C(-4) 3.101e-11 + CH4 3.101e-11 3.371e-11 -10.509 -10.472 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.921e-11 - H2 9.607e-12 1.044e-11 -11.017 -10.981 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.937e-11 + H2 9.685e-12 1.053e-11 -11.014 -10.978 0.036 28.61 Hto 1.164e-10 Hto 1.164e-10 1.164e-10 -9.934 -9.934 0.000 (0) I 6.234e-11 @@ -143686,16 +142936,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 4.832e-12 Nat+ 4.832e-12 4.832e-12 -11.316 -11.316 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.463 -70.427 0.036 30.40 -S(-2) 4.705e-08 - HS- 3.290e-08 2.166e-08 -7.483 -7.664 -0.182 21.14 - H2S 1.414e-08 1.538e-08 -7.849 -7.813 0.036 36.27 - S-2 1.337e-13 3.222e-14 -12.874 -13.492 -0.618 (0) - (H2S)2 1.146e-17 1.246e-17 -16.941 -16.905 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.470 -70.434 0.036 30.40 +S(-2) 4.859e-08 + HS- 3.398e-08 2.237e-08 -7.469 -7.650 -0.182 21.14 + H2S 1.461e-08 1.588e-08 -7.835 -7.799 0.036 36.27 + S-2 1.381e-13 3.328e-14 -12.860 -13.478 -0.618 (0) + (H2S)2 1.222e-17 1.329e-17 -16.913 -16.877 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -143704,13 +142953,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -143722,21 +142971,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.49 -2.80 CH4 + CH4(g) -7.67 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.75 -7.94 H2S + H2S(g) -6.80 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.43 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -143760,7 +143009,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.488e-11 Surface + diffuse layer charge, eq + -9.516e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -143770,7 +143019,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -143779,14 +143028,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 2.0965e-12 - I 9.6047e-25 + Hto 2.0963e-12 + I 9.6067e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6368e-13 + Nat 2.6363e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -143805,30 +143054,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.777e-11 2.093e-12 + Hto 1.776e-11 2.093e-12 I 8.155e-12 9.607e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.487e-13 5.286e-14 + Nat 4.486e-13 5.285e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.175 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.113e-10 + Electrical balance (eq) = -4.610e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -143842,35 +143091,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.980e-11 - CH4 2.980e-11 3.240e-11 -10.526 -10.489 0.036 35.46 +C(-4) 3.079e-11 + CH4 3.079e-11 3.347e-11 -10.512 -10.475 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.918e-11 - H2 9.589e-12 1.043e-11 -11.018 -10.982 0.036 28.61 -Hto 1.777e-11 - Hto 1.777e-11 1.777e-11 -10.750 -10.750 0.000 (0) + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.934e-11 + H2 9.668e-12 1.051e-11 -11.015 -10.978 0.036 28.61 +Hto 1.776e-11 + Hto 1.776e-11 1.776e-11 -10.750 -10.750 0.000 (0) I 8.155e-12 I- 8.155e-12 8.155e-12 -11.089 -11.089 -0.000 (0) K 1.540e-03 @@ -143888,16 +143137,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.487e-13 - Nat+ 4.487e-13 4.487e-13 -12.348 -12.348 -0.000 (0) +Nat 4.486e-13 + Nat+ 4.486e-13 4.486e-13 -12.348 -12.348 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.461 -70.425 0.036 30.40 -S(-2) 4.670e-08 - HS- 3.266e-08 2.150e-08 -7.486 -7.668 -0.182 21.14 - H2S 1.404e-08 1.526e-08 -7.853 -7.816 0.036 36.27 - S-2 1.327e-13 3.199e-14 -12.877 -13.495 -0.618 (0) - (H2S)2 1.129e-17 1.227e-17 -16.947 -16.911 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.468 -70.432 0.036 30.40 +S(-2) 4.824e-08 + HS- 3.374e-08 2.221e-08 -7.472 -7.653 -0.182 21.14 + H2S 1.450e-08 1.577e-08 -7.839 -7.802 0.036 36.27 + S-2 1.371e-13 3.305e-14 -12.863 -13.481 -0.618 (0) + (H2S)2 1.205e-17 1.310e-17 -16.919 -16.883 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -143906,13 +143154,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -143924,21 +143172,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.67 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.02 4.88 S + Sulfur -4.86 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -143962,7 +143210,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.484e-11 Surface + diffuse layer charge, eq + -9.512e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -143972,7 +143220,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -143981,14 +143229,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 2.7827e-13 + Hto 2.7824e-13 I 1.0904e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1120e-14 + Nat 2.1115e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -144012,25 +143260,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.594e-14 4.234e-15 + Nat 3.593e-14 4.233e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.671e-10 + Electrical balance (eq) = -9.169e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -144044,33 +143292,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.972e-11 - CH4 2.972e-11 3.231e-11 -10.527 -10.491 0.036 35.46 +C(-4) 3.070e-11 + CH4 3.070e-11 3.338e-11 -10.513 -10.476 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.916e-11 - H2 9.582e-12 1.042e-11 -11.019 -10.982 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.932e-11 + H2 9.661e-12 1.050e-11 -11.015 -10.979 0.036 28.61 Hto 2.358e-12 Hto 2.358e-12 2.358e-12 -11.627 -11.627 0.000 (0) I 9.255e-13 @@ -144090,16 +143338,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.594e-14 - Nat+ 3.594e-14 3.594e-14 -13.444 -13.444 -0.000 (0) +Nat 3.593e-14 + Nat+ 3.593e-14 3.593e-14 -13.445 -13.445 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.461 -70.424 0.036 30.40 -S(-2) 4.657e-08 - HS- 3.257e-08 2.144e-08 -7.487 -7.669 -0.182 21.14 - H2S 1.400e-08 1.522e-08 -7.854 -7.818 0.036 36.27 - S-2 1.323e-13 3.189e-14 -12.878 -13.496 -0.618 (0) - (H2S)2 1.123e-17 1.221e-17 -16.950 -16.913 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.468 -70.431 0.036 30.40 +S(-2) 4.811e-08 + HS- 3.365e-08 2.215e-08 -7.473 -7.655 -0.182 21.14 + H2S 1.446e-08 1.572e-08 -7.840 -7.803 0.036 36.27 + S-2 1.367e-13 3.295e-14 -12.864 -13.482 -0.618 (0) + (H2S)2 1.198e-17 1.303e-17 -16.921 -16.885 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -144108,13 +143355,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -144126,21 +143373,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.67 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.86 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -144164,7 +143411,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.484e-11 Surface + diffuse layer charge, eq + -9.512e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -144174,7 +143421,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -144183,14 +143430,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 3.2318e-14 - I 1.0807e-26 + Hto 3.2313e-14 + I 1.0806e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4709e-15 + Nat 1.4706e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -144209,30 +143456,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.739e-13 3.227e-14 + Hto 2.738e-13 3.226e-14 I 9.172e-14 1.081e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.503e-15 2.949e-16 + Nat 2.502e-15 2.948e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.176 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.814e-10 + Electrical balance (eq) = -9.311e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -144246,35 +143493,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.976e-11 - CH4 2.976e-11 3.236e-11 -10.526 -10.490 0.036 35.46 +C(-4) 3.075e-11 + CH4 3.075e-11 3.343e-11 -10.512 -10.476 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.917e-11 - H2 9.586e-12 1.042e-11 -11.018 -10.982 0.036 28.61 -Hto 2.739e-13 - Hto 2.739e-13 2.739e-13 -12.562 -12.562 0.000 (0) + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.933e-11 + H2 9.664e-12 1.051e-11 -11.015 -10.978 0.036 28.61 +Hto 2.738e-13 + Hto 2.738e-13 2.738e-13 -12.563 -12.563 0.000 (0) I 9.172e-14 I- 9.172e-14 9.172e-14 -13.038 -13.038 -0.000 (0) K 1.540e-03 @@ -144292,16 +143539,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.503e-15 - Nat+ 2.503e-15 2.503e-15 -14.602 -14.602 -0.000 (0) +Nat 2.502e-15 + Nat+ 2.502e-15 2.502e-15 -14.602 -14.602 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.461 -70.425 0.036 30.40 -S(-2) 4.664e-08 - HS- 3.262e-08 2.147e-08 -7.487 -7.668 -0.182 21.14 - H2S 1.402e-08 1.524e-08 -7.853 -7.817 0.036 36.27 - S-2 1.325e-13 3.194e-14 -12.878 -13.496 -0.618 (0) - (H2S)2 1.126e-17 1.224e-17 -16.948 -16.912 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.468 -70.432 0.036 30.40 +S(-2) 4.818e-08 + HS- 3.370e-08 2.218e-08 -7.472 -7.654 -0.182 21.14 + H2S 1.448e-08 1.575e-08 -7.839 -7.803 0.036 36.27 + S-2 1.369e-13 3.300e-14 -12.864 -13.481 -0.618 (0) + (H2S)2 1.202e-17 1.307e-17 -16.920 -16.884 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -144310,13 +143556,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -144328,21 +143574,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.67 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.02 4.88 S + Sulfur -4.86 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -144366,7 +143612,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.491e-11 Surface + diffuse layer charge, eq + -9.519e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -144376,7 +143622,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -144385,14 +143631,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6611e-10 + Cl 4.6610e-10 H 1.2949e-04 - Hto 3.2999e-15 + Hto 3.2993e-15 I 9.4032e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.9638e-17 + Nat 8.9613e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -144411,30 +143657,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.796e-14 3.295e-15 + Hto 2.796e-14 3.294e-15 I 7.980e-15 9.402e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.525e-16 1.797e-17 + Nat 1.525e-16 1.796e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.175 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.177 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.102e-10 + Electrical balance (eq) = 5.604e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -144446,35 +143692,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.998e-11 - CH4 2.998e-11 3.259e-11 -10.523 -10.487 0.036 35.46 +C(-4) 3.096e-11 + CH4 3.096e-11 3.366e-11 -10.509 -10.473 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.921e-11 - H2 9.603e-12 1.044e-11 -11.018 -10.981 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.936e-11 + H2 9.681e-12 1.053e-11 -11.014 -10.978 0.036 28.61 Hto 2.796e-14 Hto 2.796e-14 2.796e-14 -13.553 -13.553 0.000 (0) I 7.980e-15 @@ -144494,16 +143740,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.525e-16 Nat+ 1.525e-16 1.525e-16 -15.817 -15.817 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.463 -70.426 0.036 30.40 -S(-2) 4.697e-08 - HS- 3.285e-08 2.163e-08 -7.483 -7.665 -0.182 21.14 - H2S 1.412e-08 1.535e-08 -7.850 -7.814 0.036 36.27 - S-2 1.335e-13 3.217e-14 -12.875 -13.493 -0.618 (0) - (H2S)2 1.142e-17 1.242e-17 -16.942 -16.906 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.470 -70.433 0.036 30.40 +S(-2) 4.852e-08 + HS- 3.393e-08 2.234e-08 -7.469 -7.651 -0.182 21.14 + H2S 1.458e-08 1.586e-08 -7.836 -7.800 0.036 36.27 + S-2 1.379e-13 3.323e-14 -12.861 -13.478 -0.618 (0) + (H2S)2 1.219e-17 1.325e-17 -16.914 -16.878 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -144512,13 +143757,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -144530,21 +143775,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.69 -10.49 -2.80 CH4 + CH4(g) -7.67 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.82 -14.76 -7.94 H2S + H2S(g) -6.81 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.43 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -144568,7 +143813,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.501e-11 Surface + diffuse layer charge, eq + -9.529e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -144578,7 +143823,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -144587,14 +143832,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6611e-10 + Cl 4.6609e-10 H 1.2949e-04 - Hto 2.9733e-16 - I 7.2094e-29 + Hto 2.9727e-16 + I 7.2107e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8017e-18 + Nat 4.8002e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -144613,30 +143858,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.520e-15 2.968e-16 + Hto 2.519e-15 2.968e-16 I 6.120e-16 7.210e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.171e-18 9.626e-19 + Nat 8.168e-18 9.623e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.177 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.749e-10 + Electrical balance (eq) = -1.025e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -144648,37 +143893,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.033e-11 - CH4 3.033e-11 3.298e-11 -10.518 -10.482 0.036 35.46 +C(-4) 3.132e-11 + CH4 3.132e-11 3.405e-11 -10.504 -10.468 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.926e-11 - H2 9.631e-12 1.047e-11 -11.016 -10.980 0.036 28.61 -Hto 2.520e-15 - Hto 2.520e-15 2.520e-15 -14.599 -14.599 0.000 (0) +H(0) 1.942e-11 + H2 9.709e-12 1.056e-11 -11.013 -10.977 0.036 28.61 +Hto 2.519e-15 + Hto 2.519e-15 2.519e-15 -14.599 -14.599 0.000 (0) I 6.120e-16 I- 6.120e-16 6.120e-16 -15.213 -15.213 -0.000 (0) K 1.540e-03 @@ -144696,16 +143941,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.171e-18 - Nat+ 8.171e-18 8.171e-18 -17.088 -17.088 -0.000 (0) +Nat 8.168e-18 + Nat+ 8.168e-18 8.168e-18 -17.088 -17.088 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.465 -70.429 0.036 30.40 -S(-2) 4.753e-08 - HS- 3.324e-08 2.188e-08 -7.478 -7.660 -0.182 21.14 - H2S 1.429e-08 1.553e-08 -7.845 -7.809 0.036 36.27 - S-2 1.351e-13 3.256e-14 -12.869 -13.487 -0.618 (0) - (H2S)2 1.169e-17 1.271e-17 -16.932 -16.896 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.472 -70.436 0.036 30.40 +S(-2) 4.907e-08 + HS- 3.432e-08 2.259e-08 -7.464 -7.646 -0.182 21.14 + H2S 1.475e-08 1.604e-08 -7.831 -7.795 0.036 36.27 + S-2 1.395e-13 3.362e-14 -12.856 -13.473 -0.618 (0) + (H2S)2 1.247e-17 1.355e-17 -16.904 -16.868 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -144714,13 +143958,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.556e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -144732,21 +143976,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.67 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.54 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -144770,7 +144014,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.509e-11 Surface + diffuse layer charge, eq + -9.537e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -144780,7 +144024,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -144789,14 +144033,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 2.3704e-17 - I 4.8880e-30 + Hto 2.3699e-17 + I 4.8872e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2687e-19 + Nat 2.2680e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -144815,30 +144059,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.009e-16 2.367e-17 + Hto 2.008e-16 2.366e-17 I 4.148e-17 4.887e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.860e-19 4.548e-20 + Nat 3.859e-19 4.546e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.763e-10 + Electrical balance (eq) = -1.026e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -144850,22 +144094,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.057e-11 - CH4 3.057e-11 3.323e-11 -10.515 -10.478 0.036 35.46 +C(-4) 3.155e-11 + CH4 3.155e-11 3.430e-11 -10.501 -10.465 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -144877,10 +144121,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.930e-11 - H2 9.650e-12 1.049e-11 -11.015 -10.979 0.036 28.61 -Hto 2.009e-16 - Hto 2.009e-16 2.009e-16 -15.697 -15.697 0.000 (0) +H(0) 1.945e-11 + H2 9.727e-12 1.058e-11 -11.012 -10.976 0.036 28.61 +Hto 2.008e-16 + Hto 2.008e-16 2.008e-16 -15.697 -15.697 0.000 (0) I 4.148e-17 I- 4.148e-17 4.148e-17 -16.382 -16.382 -0.000 (0) K 1.540e-03 @@ -144892,22 +144136,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.860e-19 - Nat+ 3.860e-19 3.860e-19 -18.413 -18.413 -0.000 (0) +Nat 3.859e-19 + Nat+ 3.859e-19 3.859e-19 -18.414 -18.414 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.467 -70.430 0.036 30.40 -S(-2) 4.789e-08 - HS- 3.350e-08 2.205e-08 -7.475 -7.657 -0.182 21.14 - H2S 1.440e-08 1.565e-08 -7.842 -7.805 0.036 36.27 - S-2 1.361e-13 3.281e-14 -12.866 -13.484 -0.618 (0) - (H2S)2 1.187e-17 1.291e-17 -16.925 -16.889 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.474 -70.437 0.036 30.40 +S(-2) 4.944e-08 + HS- 3.458e-08 2.276e-08 -7.461 -7.643 -0.182 21.14 + H2S 1.486e-08 1.616e-08 -7.828 -7.792 0.036 36.27 + S-2 1.405e-13 3.387e-14 -12.852 -13.470 -0.618 (0) + (H2S)2 1.265e-17 1.376e-17 -16.898 -16.861 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -144922,8 +144165,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -144934,21 +144177,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -144972,7 +144215,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.512e-11 Surface + diffuse layer charge, eq + -9.540e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -144982,7 +144225,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -144991,14 +144234,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 1.6750e-18 - I 2.9337e-31 + Hto 1.6747e-18 + I 2.9342e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.4770e-21 + Nat 9.4735e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -145017,30 +144260,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.420e-17 1.672e-18 + Hto 1.419e-17 1.672e-18 I 2.490e-18 2.934e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.613e-20 1.900e-21 + Nat 1.612e-20 1.899e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.767e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -145052,22 +144295,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.065e-11 - CH4 3.065e-11 3.333e-11 -10.514 -10.477 0.036 35.46 +C(-4) 3.164e-11 + CH4 3.164e-11 3.440e-11 -10.500 -10.463 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -145079,10 +144322,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.931e-11 - H2 9.657e-12 1.050e-11 -11.015 -10.979 0.036 28.61 -Hto 1.420e-17 - Hto 1.420e-17 1.420e-17 -16.848 -16.848 0.000 (0) +H(0) 1.947e-11 + H2 9.734e-12 1.058e-11 -11.012 -10.975 0.036 28.61 +Hto 1.419e-17 + Hto 1.419e-17 1.419e-17 -16.848 -16.848 0.000 (0) I 2.490e-18 I- 2.490e-18 2.490e-18 -17.604 -17.604 -0.000 (0) K 1.540e-03 @@ -145094,22 +144337,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.613e-20 - Nat+ 1.613e-20 1.613e-20 -19.792 -19.792 -0.000 (0) +Nat 1.612e-20 + Nat+ 1.612e-20 1.612e-20 -19.793 -19.793 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 -S(-2) 4.803e-08 - HS- 3.359e-08 2.211e-08 -7.474 -7.655 -0.182 21.14 - H2S 1.444e-08 1.570e-08 -7.841 -7.804 0.036 36.27 - S-2 1.365e-13 3.290e-14 -12.865 -13.483 -0.618 (0) - (H2S)2 1.194e-17 1.298e-17 -16.923 -16.887 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.474 -70.438 0.036 30.40 +S(-2) 4.957e-08 + HS- 3.467e-08 2.283e-08 -7.460 -7.642 -0.182 21.14 + H2S 1.490e-08 1.620e-08 -7.827 -7.790 0.036 36.27 + S-2 1.409e-13 3.396e-14 -12.851 -13.469 -0.618 (0) + (H2S)2 1.272e-17 1.383e-17 -16.895 -16.859 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -145124,8 +144366,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -145136,21 +144378,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -145174,7 +144416,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.512e-11 Surface + diffuse layer charge, eq + -9.540e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -145184,7 +144426,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -145193,14 +144435,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 1.0501e-19 + Hto 1.0499e-19 I 1.5615e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5038e-22 + Nat 3.5024e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -145219,30 +144461,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.899e-19 1.048e-19 + Hto 8.897e-19 1.048e-19 I 1.325e-19 1.561e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.962e-22 7.024e-23 + Nat 5.960e-22 7.021e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.768e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -145254,22 +144496,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.067e-11 - CH4 3.067e-11 3.335e-11 -10.513 -10.477 0.036 35.46 +C(-4) 3.166e-11 + CH4 3.166e-11 3.442e-11 -10.499 -10.463 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -145281,10 +144523,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.932e-11 - H2 9.658e-12 1.050e-11 -11.015 -10.979 0.036 28.61 -Hto 8.899e-19 - Hto 8.899e-19 8.899e-19 -18.051 -18.051 0.000 (0) +H(0) 1.947e-11 + H2 9.735e-12 1.058e-11 -11.012 -10.975 0.036 28.61 +Hto 8.897e-19 + Hto 8.897e-19 8.897e-19 -18.051 -18.051 0.000 (0) I 1.325e-19 I- 1.325e-19 1.325e-19 -18.878 -18.878 -0.000 (0) K 1.540e-03 @@ -145296,22 +144538,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.962e-22 - Nat+ 5.962e-22 5.962e-22 -21.225 -21.225 -0.000 (0) +Nat 5.960e-22 + Nat+ 5.960e-22 5.960e-22 -21.225 -21.225 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.468 -70.431 0.036 30.40 -S(-2) 4.806e-08 - HS- 3.361e-08 2.213e-08 -7.473 -7.655 -0.182 21.14 - H2S 1.445e-08 1.571e-08 -7.840 -7.804 0.036 36.27 - S-2 1.366e-13 3.292e-14 -12.865 -13.483 -0.618 (0) - (H2S)2 1.196e-17 1.300e-17 -16.922 -16.886 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.474 -70.438 0.036 30.40 +S(-2) 4.961e-08 + HS- 3.470e-08 2.284e-08 -7.460 -7.641 -0.182 21.14 + H2S 1.491e-08 1.621e-08 -7.826 -7.790 0.036 36.27 + S-2 1.410e-13 3.398e-14 -12.851 -13.469 -0.618 (0) + (H2S)2 1.274e-17 1.385e-17 -16.895 -16.859 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -145326,8 +144567,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -145338,21 +144579,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -145376,7 +144617,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.512e-11 Surface + diffuse layer charge, eq + -9.540e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -145386,7 +144627,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -145395,14 +144636,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 5.8416e-21 - I 7.3689e-34 + Hto 5.8402e-21 + I 7.3699e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1312e-23 + Nat 1.1307e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -145421,30 +144662,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.951e-20 5.832e-21 + Hto 4.949e-20 5.831e-21 I 6.255e-21 7.369e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.925e-23 2.268e-24 + Nat 1.924e-23 2.267e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.764e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -145456,22 +144697,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.068e-11 - CH4 3.068e-11 3.335e-11 -10.513 -10.477 0.036 35.46 +C(-4) 3.166e-11 + CH4 3.166e-11 3.443e-11 -10.499 -10.463 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -145483,10 +144724,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.932e-11 - H2 9.659e-12 1.050e-11 -11.015 -10.979 0.036 28.61 -Hto 4.951e-20 - Hto 4.951e-20 4.951e-20 -19.305 -19.305 0.000 (0) +H(0) 1.947e-11 + H2 9.736e-12 1.058e-11 -11.012 -10.975 0.036 28.61 +Hto 4.949e-20 + Hto 4.949e-20 4.949e-20 -19.305 -19.305 0.000 (0) I 6.255e-21 I- 6.255e-21 6.255e-21 -20.204 -20.204 -0.000 (0) K 1.540e-03 @@ -145498,22 +144739,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.925e-23 - Nat+ 1.925e-23 1.925e-23 -22.716 -22.716 -0.000 (0) +Nat 1.924e-23 + Nat+ 1.924e-23 1.924e-23 -22.716 -22.716 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.468 -70.431 0.036 30.40 -S(-2) 4.807e-08 - HS- 3.362e-08 2.213e-08 -7.473 -7.655 -0.182 21.14 - H2S 1.445e-08 1.571e-08 -7.840 -7.804 0.036 36.27 - S-2 1.366e-13 3.293e-14 -12.865 -13.482 -0.618 (0) - (H2S)2 1.196e-17 1.300e-17 -16.922 -16.886 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.474 -70.438 0.036 30.40 +S(-2) 4.961e-08 + HS- 3.470e-08 2.284e-08 -7.460 -7.641 -0.182 21.14 + H2S 1.491e-08 1.621e-08 -7.826 -7.790 0.036 36.27 + S-2 1.410e-13 3.399e-14 -12.851 -13.469 -0.618 (0) + (H2S)2 1.274e-17 1.385e-17 -16.895 -16.858 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -145528,8 +144768,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -145540,21 +144780,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -145578,7 +144818,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.512e-11 Surface + diffuse layer charge, eq + -9.540e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -145588,7 +144828,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -145597,14 +144837,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 2.8808e-22 + Hto 2.8800e-22 I 3.0769e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0516e-25 + Nat 2.0507e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -145623,30 +144863,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.441e-21 2.876e-22 + Hto 2.441e-21 2.875e-22 I 2.611e-22 3.076e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.491e-25 4.113e-26 + Nat 3.489e-25 4.111e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.766e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -145658,22 +144898,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.068e-11 - CH4 3.068e-11 3.335e-11 -10.513 -10.477 0.036 35.46 +C(-4) 3.166e-11 + CH4 3.166e-11 3.443e-11 -10.499 -10.463 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -145685,8 +144925,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.932e-11 - H2 9.659e-12 1.050e-11 -11.015 -10.979 0.036 28.61 +H(0) 1.947e-11 + H2 9.736e-12 1.058e-11 -11.012 -10.975 0.036 28.61 Hto 2.441e-21 Hto 2.441e-21 2.441e-21 -20.612 -20.612 0.000 (0) I 2.611e-22 @@ -145700,22 +144940,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.491e-25 - Nat+ 3.491e-25 3.491e-25 -24.457 -24.457 -0.000 (0) +Nat 3.489e-25 + Nat+ 3.489e-25 3.489e-25 -24.457 -24.457 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.468 -70.431 0.036 30.40 -S(-2) 4.807e-08 - HS- 3.362e-08 2.213e-08 -7.473 -7.655 -0.182 21.14 - H2S 1.445e-08 1.571e-08 -7.840 -7.804 0.036 36.27 - S-2 1.366e-13 3.293e-14 -12.865 -13.482 -0.618 (0) - (H2S)2 1.196e-17 1.301e-17 -16.922 -16.886 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.474 -70.438 0.036 30.40 +S(-2) 4.961e-08 + HS- 3.470e-08 2.284e-08 -7.460 -7.641 -0.182 21.14 + H2S 1.491e-08 1.621e-08 -7.826 -7.790 0.036 36.27 + S-2 1.410e-13 3.399e-14 -12.851 -13.469 -0.618 (0) + (H2S)2 1.274e-17 1.385e-17 -16.895 -16.858 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -145730,8 +144969,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -145742,21 +144981,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -145780,7 +145019,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.512e-11 Surface + diffuse layer charge, eq + -9.540e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -145790,7 +145029,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -145799,10 +145038,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 1.2506e-23 - I 1.0673e-36 + Hto 1.2503e-23 + I 1.0675e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -145824,7 +145063,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.060e-22 1.249e-23 + Hto 1.060e-22 1.248e-23 I 9.059e-24 1.067e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -145835,18 +145074,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.766e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -145858,22 +145097,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.068e-11 - CH4 3.068e-11 3.335e-11 -10.513 -10.477 0.036 35.46 +C(-4) 3.166e-11 + CH4 3.166e-11 3.443e-11 -10.499 -10.463 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -145885,8 +145124,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.932e-11 - H2 9.659e-12 1.050e-11 -11.015 -10.979 0.036 28.61 +H(0) 1.947e-11 + H2 9.736e-12 1.058e-11 -11.012 -10.975 0.036 28.61 Hto 1.060e-22 Hto 1.060e-22 1.060e-22 -21.975 -21.975 0.000 (0) I 9.059e-24 @@ -145900,20 +145139,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.468 -70.431 0.036 30.40 -S(-2) 4.807e-08 - HS- 3.362e-08 2.213e-08 -7.473 -7.655 -0.182 21.14 - H2S 1.445e-08 1.571e-08 -7.840 -7.804 0.036 36.27 - S-2 1.366e-13 3.293e-14 -12.865 -13.482 -0.618 (0) - (H2S)2 1.196e-17 1.301e-17 -16.922 -16.886 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.474 -70.438 0.036 30.40 +S(-2) 4.961e-08 + HS- 3.470e-08 2.284e-08 -7.460 -7.641 -0.182 21.14 + H2S 1.491e-08 1.621e-08 -7.826 -7.790 0.036 36.27 + S-2 1.410e-13 3.399e-14 -12.851 -13.469 -0.618 (0) + (H2S)2 1.274e-17 1.385e-17 -16.895 -16.858 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -145928,8 +145166,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -145940,21 +145178,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -145978,7 +145216,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.512e-11 Surface + diffuse layer charge, eq + -9.540e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -145988,7 +145226,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -145997,9 +145235,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 4.1961e-25 + Hto 4.1948e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -146021,7 +145259,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.556e-24 4.189e-25 + Hto 3.555e-24 4.188e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 @@ -146031,18 +145269,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.769e-10 + Electrical balance (eq) = -1.027e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -146054,22 +145292,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.068e-11 - CH4 3.068e-11 3.335e-11 -10.513 -10.477 0.036 35.46 +C(-4) 3.166e-11 + CH4 3.166e-11 3.443e-11 -10.499 -10.463 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -146081,10 +145319,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.932e-11 - H2 9.659e-12 1.050e-11 -11.015 -10.979 0.036 28.61 -Hto 3.556e-24 - Hto 3.556e-24 3.556e-24 -23.449 -23.449 0.000 (0) +H(0) 1.947e-11 + H2 9.736e-12 1.058e-11 -11.012 -10.975 0.036 28.61 +Hto 3.555e-24 + Hto 3.555e-24 3.555e-24 -23.449 -23.449 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -146094,20 +145332,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.468 -70.431 0.036 30.40 -S(-2) 4.807e-08 - HS- 3.362e-08 2.213e-08 -7.473 -7.655 -0.182 21.14 - H2S 1.445e-08 1.571e-08 -7.840 -7.804 0.036 36.27 - S-2 1.366e-13 3.293e-14 -12.865 -13.482 -0.618 (0) - (H2S)2 1.196e-17 1.301e-17 -16.922 -16.886 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.474 -70.438 0.036 30.40 +S(-2) 4.961e-08 + HS- 3.470e-08 2.284e-08 -7.460 -7.641 -0.182 21.14 + H2S 1.491e-08 1.621e-08 -7.826 -7.790 0.036 36.27 + S-2 1.410e-13 3.399e-14 -12.851 -13.469 -0.618 (0) + (H2S)2 1.274e-17 1.385e-17 -16.895 -16.858 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -146122,8 +145359,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -146134,21 +145371,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -146178,18 +145415,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -146203,8 +145440,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -146228,8 +145465,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -146249,16 +145486,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -146285,21 +145521,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -146327,18 +145563,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -146352,8 +145588,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -146377,8 +145613,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -146398,16 +145634,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -146434,21 +145669,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -146485,18 +145720,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.022 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.019 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.000e-12 + Electrical balance (eq) = -9.564e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -146510,8 +145745,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.795e-12 - CH4 1.795e-12 1.952e-12 -11.746 -11.710 0.036 35.46 +C(-4) 1.711e-12 + CH4 1.711e-12 1.861e-12 -11.767 -11.730 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -146521,7 +145756,7 @@ C(4) 2.744e-03 CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 + CO3-2 3.378e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -146535,8 +145770,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.499e-12 - H2 4.749e-12 5.164e-12 -11.323 -11.287 0.036 28.61 +H(0) 9.386e-12 + H2 4.693e-12 5.102e-12 -11.329 -11.292 0.036 28.61 Hto 5.565e-07 Hto 5.565e-07 5.565e-07 -6.255 -6.255 0.000 (0) I 7.286e-07 @@ -146556,16 +145791,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.192e-07 Nat+ 3.192e-07 3.192e-07 -6.496 -6.496 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.851 -69.815 0.036 30.40 -S(-2) 2.814e-09 - HS- 1.968e-09 1.295e-09 -8.706 -8.888 -0.182 21.14 - H2S 8.466e-10 9.205e-10 -9.072 -9.036 0.036 36.27 - S-2 7.985e-15 1.925e-15 -14.098 -14.716 -0.618 (0) - (H2S)2 4.107e-20 4.465e-20 -19.387 -19.350 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.841 -69.804 0.036 30.40 +S(-2) 2.683e-09 + HS- 1.876e-09 1.235e-09 -8.727 -8.908 -0.182 21.14 + H2S 8.071e-10 8.775e-10 -9.093 -9.057 0.036 36.27 + S-2 7.612e-15 1.835e-15 -14.118 -14.736 -0.618 (0) + (H2S)2 3.732e-20 4.057e-20 -19.428 -19.392 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -146592,21 +145826,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.91 -11.71 -2.80 CH4 + CH4(g) -8.93 -11.73 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.19 -11.29 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.04 -15.98 -7.94 H2S + H2S(g) -8.06 -16.00 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.92 -69.81 -2.89 O2 + O2(g) -66.91 -69.80 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.78 -0.90 4.88 S + Sulfur -5.80 -0.91 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -146630,7 +145864,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.613e-14 Surface + diffuse layer charge, eq + -4.663e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -146640,7 +145874,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -146652,7 +145886,7 @@ Su Cl 4.6655e-10 H 1.2947e-04 Hto 5.5935e-08 - I 7.3546e-20 + I 7.3533e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -146687,18 +145921,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.087 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.086 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.948e-09 + Electrical balance (eq) = 1.681e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -146712,12 +145946,12 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 5.986e-12 - CH4 5.986e-12 6.509e-12 -11.223 -11.187 0.036 35.46 +C(-4) 5.893e-12 + CH4 5.893e-12 6.407e-12 -11.230 -11.193 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 @@ -146733,12 +145967,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.284e-11 - H2 6.418e-12 6.978e-12 -11.193 -11.156 0.036 28.61 +H(0) 1.279e-11 + H2 6.393e-12 6.951e-12 -11.194 -11.158 0.036 28.61 Hto 4.740e-07 Hto 4.740e-07 4.740e-07 -6.324 -6.324 0.000 (0) I 6.243e-07 @@ -146757,17 +145991,16 @@ Mg 1.720e-02 Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) + NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 Nat 2.807e-07 Nat+ 2.807e-07 2.807e-07 -6.552 -6.552 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.113 -70.076 0.036 30.40 -S(-2) 9.384e-09 - HS- 6.561e-09 4.319e-09 -8.183 -8.365 -0.182 21.14 - H2S 2.823e-09 3.069e-09 -8.549 -8.513 0.036 36.27 - S-2 2.663e-14 6.420e-15 -13.575 -14.192 -0.618 (0) - (H2S)2 4.565e-19 4.963e-19 -18.341 -18.304 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.109 -70.073 0.036 30.40 +S(-2) 9.238e-09 + HS- 6.459e-09 4.252e-09 -8.190 -8.371 -0.182 21.14 + H2S 2.779e-09 3.021e-09 -8.556 -8.520 0.036 36.27 + S-2 2.622e-14 6.320e-15 -13.581 -14.199 -0.618 (0) + (H2S)2 4.424e-19 4.810e-19 -18.354 -18.318 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -146777,7 +146010,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.565e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -146794,19 +146027,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.38 -11.19 -2.80 CH4 + CH4(g) -8.39 -11.19 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.06 -11.16 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.52 -15.45 -7.94 H2S + H2S(g) -7.53 -15.46 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.18 -70.08 -2.89 O2 + O2(g) -67.18 -70.07 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.39 -0.51 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -146832,7 +146065,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.356e-11 Surface + diffuse layer charge, eq + -9.352e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -146842,7 +146075,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -146854,11 +146087,11 @@ Su Cl 4.6624e-10 H 1.2949e-04 Hto 3.2463e-08 - I 3.9063e-20 + I 3.9050e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.1689e-08 + Nat 8.1688e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -146890,17 +146123,17 @@ Su pH = 7.090 Charge balance pe = -3.159 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.261e-10 + Electrical balance (eq) = 3.513e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -146914,8 +146147,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.253e-11 - CH4 2.253e-11 2.449e-11 -10.647 -10.611 0.036 35.46 +C(-4) 2.249e-11 + CH4 2.249e-11 2.445e-11 -10.648 -10.612 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -146935,12 +146168,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.015e-06 9.801e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.788e-11 - H2 8.941e-12 9.721e-12 -11.049 -11.012 0.036 28.61 +H(0) 1.787e-11 + H2 8.937e-12 9.717e-12 -11.049 -11.012 0.036 28.61 Hto 2.751e-07 Hto 2.751e-07 2.751e-07 -6.560 -6.560 0.000 (0) I 3.315e-07 @@ -146960,16 +146193,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.390e-07 Nat+ 1.390e-07 1.390e-07 -6.857 -6.857 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.401 -70.364 0.036 30.40 -S(-2) 3.531e-08 - HS- 2.469e-08 1.625e-08 -7.607 -7.789 -0.182 21.14 - H2S 1.062e-08 1.154e-08 -7.974 -7.938 0.036 36.27 - S-2 1.003e-13 2.417e-14 -12.999 -13.617 -0.618 (0) - (H2S)2 6.456e-18 7.019e-18 -17.190 -17.154 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.400 -70.364 0.036 30.40 +S(-2) 3.525e-08 + HS- 2.465e-08 1.623e-08 -7.608 -7.790 -0.182 21.14 + H2S 1.060e-08 1.152e-08 -7.975 -7.938 0.036 36.27 + S-2 1.001e-13 2.413e-14 -12.999 -13.617 -0.618 (0) + (H2S)2 6.435e-18 6.996e-18 -17.191 -17.155 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -146979,7 +146211,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.308e-08 9.558e-09 -7.883 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -147034,7 +146266,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.561e-11 Surface + diffuse layer charge, eq + -9.564e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -147044,7 +146276,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -147055,12 +146287,12 @@ Su Ca 7.1884e-02 Cl 4.6613e-10 H 1.2949e-04 - Hto 1.4888e-08 + Hto 1.4887e-08 I 1.6080e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8058e-08 + Nat 2.8057e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -147084,25 +146316,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.774e-08 5.625e-09 + Nat 4.774e-08 5.624e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.173 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.719e-10 + Electrical balance (eq) = -1.123e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -147116,8 +146348,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.870e-11 - CH4 2.870e-11 3.121e-11 -10.542 -10.506 0.036 35.46 +C(-4) 2.900e-11 + CH4 2.900e-11 3.153e-11 -10.538 -10.501 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -147141,8 +146373,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.900e-11 - H2 9.499e-12 1.033e-11 -11.022 -10.986 0.036 28.61 +H(0) 1.905e-11 + H2 9.524e-12 1.035e-11 -11.021 -10.985 0.036 28.61 Hto 1.262e-07 Hto 1.262e-07 1.262e-07 -6.899 -6.899 0.000 (0) I 1.365e-07 @@ -147162,16 +146394,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 4.774e-08 Nat+ 4.774e-08 4.774e-08 -7.321 -7.321 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.453 -70.417 0.036 30.40 -S(-2) 4.497e-08 - HS- 3.145e-08 2.071e-08 -7.502 -7.684 -0.182 21.14 - H2S 1.352e-08 1.470e-08 -7.869 -7.833 0.036 36.27 - S-2 1.278e-13 3.080e-14 -12.894 -13.511 -0.618 (0) - (H2S)2 1.047e-17 1.139e-17 -16.980 -16.944 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.455 -70.419 0.036 30.40 +S(-2) 4.545e-08 + HS- 3.178e-08 2.092e-08 -7.498 -7.679 -0.182 21.14 + H2S 1.366e-08 1.485e-08 -7.865 -7.828 0.036 36.27 + S-2 1.291e-13 3.113e-14 -12.889 -13.507 -0.618 (0) + (H2S)2 1.069e-17 1.163e-17 -16.971 -16.935 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -147198,21 +146429,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.70 -10.51 -2.80 CH4 + CH4(g) -7.70 -10.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.84 -14.77 -7.94 H2S + H2S(g) -6.83 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.52 -70.42 -2.89 O2 + O2(g) -67.53 -70.42 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 0.00 4.88 S + Sulfur -4.88 0.01 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -147236,7 +146467,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.575e-11 Surface + diffuse layer charge, eq + -9.594e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -147246,7 +146477,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -147255,14 +146486,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 5.4961e-09 - I 5.2543e-21 + Hto 5.4959e-09 + I 5.2534e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.1757e-09 + Nat 7.1753e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -147293,18 +146524,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.766e-10 + Electrical balance (eq) = -1.126e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -147318,20 +146549,20 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.082e-11 - CH4 3.082e-11 3.351e-11 -10.511 -10.475 0.036 35.46 +C(-4) 3.149e-11 + CH4 3.149e-11 3.423e-11 -10.502 -10.466 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -147343,8 +146574,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.934e-11 - H2 9.670e-12 1.051e-11 -11.015 -10.978 0.036 28.61 +H(0) 1.944e-11 + H2 9.722e-12 1.057e-11 -11.012 -10.976 0.036 28.61 Hto 4.658e-08 Hto 4.658e-08 4.658e-08 -7.332 -7.332 0.000 (0) I 4.459e-08 @@ -147358,22 +146589,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.221e-08 Nat+ 1.221e-08 1.221e-08 -7.913 -7.913 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.469 -70.432 0.036 30.40 -S(-2) 4.829e-08 - HS- 3.378e-08 2.223e-08 -7.471 -7.653 -0.182 21.14 - H2S 1.452e-08 1.578e-08 -7.838 -7.802 0.036 36.27 - S-2 1.372e-13 3.308e-14 -12.863 -13.480 -0.618 (0) - (H2S)2 1.207e-17 1.313e-17 -16.918 -16.882 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.473 -70.437 0.036 30.40 +S(-2) 4.934e-08 + HS- 3.451e-08 2.272e-08 -7.462 -7.644 -0.182 21.14 + H2S 1.483e-08 1.612e-08 -7.829 -7.793 0.036 36.27 + S-2 1.402e-13 3.380e-14 -12.853 -13.471 -0.618 (0) + (H2S)2 1.260e-17 1.370e-17 -16.900 -16.863 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -147388,8 +146618,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -147400,21 +146630,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.47 -2.80 CH4 + CH4(g) -7.66 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.74 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.54 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.03 4.88 S + Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -147438,7 +146668,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.559e-11 Surface + diffuse layer charge, eq + -9.586e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -147448,7 +146678,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -147457,14 +146687,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6609e-10 + Cl 4.6607e-10 H 1.2949e-04 Hto 1.6649e-09 - I 1.3934e-21 + I 1.3932e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4346e-09 + Nat 1.4345e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -147495,18 +146725,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.179 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.740e-10 + Electrical balance (eq) = -1.124e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -147520,35 +146750,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.144e-11 - CH4 3.144e-11 3.418e-11 -10.503 -10.466 0.036 35.46 +C(-4) 3.231e-11 + CH4 3.231e-11 3.513e-11 -10.491 -10.454 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.944e-11 - H2 9.718e-12 1.057e-11 -11.012 -10.976 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.957e-11 + H2 9.785e-12 1.064e-11 -11.009 -10.973 0.036 28.61 Hto 1.411e-08 - Hto 1.411e-08 1.411e-08 -7.850 -7.850 0.000 (0) + Hto 1.411e-08 1.411e-08 -7.851 -7.851 0.000 (0) I 1.182e-08 I- 1.182e-08 1.182e-08 -7.927 -7.927 -0.000 (0) K 1.540e-03 @@ -147566,16 +146796,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.441e-09 Nat+ 2.441e-09 2.441e-09 -8.612 -8.612 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.473 -70.437 0.036 30.40 -S(-2) 4.926e-08 - HS- 3.445e-08 2.268e-08 -7.463 -7.644 -0.182 21.14 - H2S 1.481e-08 1.610e-08 -7.830 -7.793 0.036 36.27 - S-2 1.400e-13 3.374e-14 -12.854 -13.472 -0.618 (0) - (H2S)2 1.256e-17 1.366e-17 -16.901 -16.865 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.479 -70.443 0.036 30.40 +S(-2) 5.063e-08 + HS- 3.541e-08 2.331e-08 -7.451 -7.632 -0.182 21.14 + H2S 1.522e-08 1.655e-08 -7.818 -7.781 0.036 36.27 + S-2 1.439e-13 3.468e-14 -12.842 -13.460 -0.618 (0) + (H2S)2 1.327e-17 1.443e-17 -16.877 -16.841 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -147584,14 +146813,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -147602,21 +146831,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.47 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.79 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.44 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.03 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -147640,7 +146869,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.546e-11 Surface + diffuse layer charge, eq + -9.574e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -147650,7 +146879,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -147659,14 +146888,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6609e-10 + Cl 4.6607e-10 H 1.2949e-04 - Hto 4.2095e-10 - I 3.0606e-22 + Hto 4.2093e-10 + I 3.0601e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.3194e-10 + Nat 2.3191e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -147685,30 +146914,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.567e-09 4.203e-10 + Hto 3.567e-09 4.202e-10 I 2.598e-09 3.060e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.947e-10 4.650e-11 + Nat 3.946e-10 4.649e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.179 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.722e-10 + Electrical balance (eq) = -1.123e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -147722,33 +146951,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.151e-11 - CH4 3.151e-11 3.426e-11 -10.501 -10.465 0.036 35.46 +C(-4) 3.247e-11 + CH4 3.247e-11 3.531e-11 -10.488 -10.452 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.945e-11 - H2 9.724e-12 1.057e-11 -11.012 -10.976 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.959e-11 + H2 9.797e-12 1.065e-11 -11.009 -10.973 0.036 28.61 Hto 3.567e-09 Hto 3.567e-09 3.567e-09 -8.448 -8.448 0.000 (0) I 2.598e-09 @@ -147768,16 +146997,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.947e-10 - Nat+ 3.947e-10 3.947e-10 -9.404 -9.404 -0.000 (0) +Nat 3.946e-10 + Nat+ 3.946e-10 3.946e-10 -9.404 -9.404 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.473 -70.437 0.036 30.40 -S(-2) 4.938e-08 - HS- 3.454e-08 2.274e-08 -7.462 -7.643 -0.182 21.14 - H2S 1.484e-08 1.614e-08 -7.828 -7.792 0.036 36.27 - S-2 1.403e-13 3.383e-14 -12.853 -13.471 -0.618 (0) - (H2S)2 1.262e-17 1.372e-17 -16.899 -16.863 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.480 -70.444 0.036 30.40 +S(-2) 5.088e-08 + HS- 3.559e-08 2.343e-08 -7.449 -7.630 -0.182 21.14 + H2S 1.529e-08 1.663e-08 -7.815 -7.779 0.036 36.27 + S-2 1.446e-13 3.485e-14 -12.840 -13.458 -0.618 (0) + (H2S)2 1.340e-17 1.457e-17 -16.873 -16.837 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -147786,8 +147014,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -147804,21 +147032,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.47 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.44 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.03 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -147842,7 +147070,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.537e-11 Surface + diffuse layer charge, eq + -9.565e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -147852,7 +147080,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -147861,14 +147089,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6609e-10 + Cl 4.6607e-10 H 1.2949e-04 - Hto 9.0107e-11 + Hto 9.0100e-11 I 5.6591e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.1070e-11 + Nat 3.1066e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -147887,30 +147115,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.636e-10 8.996e-11 + Hto 7.636e-10 8.995e-11 I 4.804e-10 5.659e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.287e-11 6.229e-12 + Nat 5.286e-11 6.228e-12 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.179 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.713e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -147924,33 +147152,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.134e-11 - CH4 3.134e-11 3.407e-11 -10.504 -10.468 0.036 35.46 +C(-4) 3.232e-11 + CH4 3.232e-11 3.514e-11 -10.491 -10.454 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.942e-11 - H2 9.711e-12 1.056e-11 -11.013 -10.976 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.957e-11 + H2 9.786e-12 1.064e-11 -11.009 -10.973 0.036 28.61 Hto 7.636e-10 Hto 7.636e-10 7.636e-10 -9.117 -9.117 0.000 (0) I 4.804e-10 @@ -147964,22 +147192,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.287e-11 - Nat+ 5.287e-11 5.287e-11 -10.277 -10.277 -0.000 (0) +Nat 5.286e-11 + Nat+ 5.286e-11 5.286e-11 -10.277 -10.277 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.472 -70.436 0.036 30.40 -S(-2) 4.911e-08 - HS- 3.434e-08 2.261e-08 -7.464 -7.646 -0.182 21.14 - H2S 1.476e-08 1.605e-08 -7.831 -7.795 0.036 36.27 - S-2 1.395e-13 3.364e-14 -12.855 -13.473 -0.618 (0) - (H2S)2 1.248e-17 1.357e-17 -16.904 -16.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.479 -70.443 0.036 30.40 +S(-2) 5.064e-08 + HS- 3.542e-08 2.332e-08 -7.451 -7.632 -0.182 21.14 + H2S 1.522e-08 1.655e-08 -7.818 -7.781 0.036 36.27 + S-2 1.439e-13 3.469e-14 -12.842 -13.460 -0.618 (0) + (H2S)2 1.328e-17 1.443e-17 -16.877 -16.841 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -147988,14 +147215,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -148006,21 +147233,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.47 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.74 -7.94 H2S + H2S(g) -6.79 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.44 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.03 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -148044,7 +147271,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.526e-11 Surface + diffuse layer charge, eq + -9.554e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -148054,7 +147281,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -148063,14 +147290,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 1.6522e-11 + Hto 1.6521e-11 I 8.9277e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5114e-12 + Nat 3.5108e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -148089,30 +147316,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.400e-10 1.650e-11 + Hto 1.400e-10 1.649e-11 I 7.578e-11 8.928e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.975e-12 7.039e-13 + Nat 5.974e-12 7.038e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.179 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.554e-10 + Electrical balance (eq) = -6.073e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -148126,33 +147353,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.105e-11 - CH4 3.105e-11 3.376e-11 -10.508 -10.472 0.036 35.46 +C(-4) 3.203e-11 + CH4 3.203e-11 3.483e-11 -10.494 -10.458 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.938e-11 - H2 9.688e-12 1.053e-11 -11.014 -10.977 0.036 28.61 +H(0) 1.953e-11 + H2 9.764e-12 1.062e-11 -11.010 -10.974 0.036 28.61 Hto 1.400e-10 Hto 1.400e-10 1.400e-10 -9.854 -9.854 0.000 (0) I 7.578e-11 @@ -148166,22 +147393,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.975e-12 - Nat+ 5.975e-12 5.975e-12 -11.224 -11.224 -0.000 (0) +Nat 5.974e-12 + Nat+ 5.974e-12 5.974e-12 -11.224 -11.224 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.470 -70.434 0.036 30.40 -S(-2) 4.865e-08 - HS- 3.403e-08 2.240e-08 -7.468 -7.650 -0.182 21.14 - H2S 1.462e-08 1.590e-08 -7.835 -7.799 0.036 36.27 - S-2 1.382e-13 3.332e-14 -12.859 -13.477 -0.618 (0) - (H2S)2 1.225e-17 1.332e-17 -16.912 -16.875 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.477 -70.441 0.036 30.40 +S(-2) 5.019e-08 + HS- 3.511e-08 2.311e-08 -7.455 -7.636 -0.182 21.14 + H2S 1.509e-08 1.640e-08 -7.821 -7.785 0.036 36.27 + S-2 1.426e-13 3.438e-14 -12.846 -13.464 -0.618 (0) + (H2S)2 1.304e-17 1.418e-17 -16.885 -16.848 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -148196,8 +147422,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -148208,21 +147434,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.47 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.74 -7.94 H2S + H2S(g) -6.79 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.03 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -148246,7 +147472,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.517e-11 Surface + diffuse layer charge, eq + -9.545e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -148256,7 +147482,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -148265,14 +147491,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 2.6200e-12 - I 1.2143e-24 + Hto 2.6197e-12 + I 1.2139e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3940e-13 + Nat 3.3933e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -148296,25 +147522,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.775e-13 6.804e-14 + Nat 5.774e-13 6.803e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.062e-10 + Electrical balance (eq) = -5.562e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -148326,22 +147552,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.083e-11 - CH4 3.083e-11 3.352e-11 -10.511 -10.475 0.036 35.46 +C(-4) 3.182e-11 + CH4 3.182e-11 3.459e-11 -10.497 -10.461 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -148353,8 +147579,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.934e-11 - H2 9.671e-12 1.051e-11 -11.015 -10.978 0.036 28.61 +H(0) 1.949e-11 + H2 9.747e-12 1.060e-11 -11.011 -10.975 0.036 28.61 Hto 2.220e-11 Hto 2.220e-11 2.220e-11 -10.654 -10.654 0.000 (0) I 1.031e-11 @@ -148368,22 +147594,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.775e-13 - Nat+ 5.775e-13 5.775e-13 -12.238 -12.238 -0.000 (0) +Nat 5.774e-13 + Nat+ 5.774e-13 5.774e-13 -12.239 -12.239 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.469 -70.432 0.036 30.40 -S(-2) 4.831e-08 - HS- 3.379e-08 2.224e-08 -7.471 -7.653 -0.182 21.14 - H2S 1.452e-08 1.579e-08 -7.838 -7.802 0.036 36.27 - S-2 1.373e-13 3.309e-14 -12.862 -13.480 -0.618 (0) - (H2S)2 1.208e-17 1.313e-17 -16.918 -16.882 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.476 -70.439 0.036 30.40 +S(-2) 4.985e-08 + HS- 3.487e-08 2.295e-08 -7.458 -7.639 -0.182 21.14 + H2S 1.498e-08 1.629e-08 -7.824 -7.788 0.036 36.27 + S-2 1.417e-13 3.415e-14 -12.849 -13.467 -0.618 (0) + (H2S)2 1.286e-17 1.399e-17 -16.891 -16.854 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -148398,8 +147623,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -148410,21 +147635,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.47 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.74 -7.94 H2S + H2S(g) -6.79 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.03 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -148448,7 +147673,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.513e-11 Surface + diffuse layer charge, eq + -9.541e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -148458,7 +147683,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -148467,14 +147692,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 3.6209e-13 - I 1.4356e-25 + Hto 3.6204e-13 + I 1.4353e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8352e-14 + Nat 2.8346e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -148493,30 +147718,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.069e-12 3.615e-13 + Hto 3.068e-12 3.615e-13 I 1.218e-12 1.435e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.824e-14 5.684e-15 + Nat 4.823e-14 5.682e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.619e-10 + Electrical balance (eq) = -1.012e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -148528,22 +147753,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.074e-11 - CH4 3.074e-11 3.343e-11 -10.512 -10.476 0.036 35.46 +C(-4) 3.173e-11 + CH4 3.173e-11 3.450e-11 -10.499 -10.462 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -148555,10 +147780,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.933e-11 - H2 9.664e-12 1.051e-11 -11.015 -10.979 0.036 28.61 -Hto 3.069e-12 - Hto 3.069e-12 3.069e-12 -11.513 -11.513 0.000 (0) +H(0) 1.948e-11 + H2 9.741e-12 1.059e-11 -11.011 -10.975 0.036 28.61 +Hto 3.068e-12 + Hto 3.068e-12 3.068e-12 -11.513 -11.513 0.000 (0) I 1.218e-12 I- 1.218e-12 1.218e-12 -11.914 -11.914 -0.000 (0) K 1.540e-03 @@ -148570,22 +147795,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.824e-14 - Nat+ 4.824e-14 4.824e-14 -13.317 -13.317 -0.000 (0) +Nat 4.823e-14 + Nat+ 4.823e-14 4.823e-14 -13.317 -13.317 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.468 -70.432 0.036 30.40 -S(-2) 4.817e-08 - HS- 3.369e-08 2.218e-08 -7.472 -7.654 -0.182 21.14 - H2S 1.448e-08 1.574e-08 -7.839 -7.803 0.036 36.27 - S-2 1.369e-13 3.300e-14 -12.864 -13.482 -0.618 (0) - (H2S)2 1.201e-17 1.306e-17 -16.920 -16.884 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.475 -70.439 0.036 30.40 +S(-2) 4.972e-08 + HS- 3.477e-08 2.289e-08 -7.459 -7.640 -0.182 21.14 + H2S 1.495e-08 1.625e-08 -7.825 -7.789 0.036 36.27 + S-2 1.413e-13 3.406e-14 -12.850 -13.468 -0.618 (0) + (H2S)2 1.280e-17 1.391e-17 -16.893 -16.857 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -148600,8 +147824,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -148612,21 +147836,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.74 -7.94 H2S + H2S(g) -6.79 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.03 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -148650,7 +147874,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.513e-11 Surface + diffuse layer charge, eq + -9.541e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -148660,7 +147884,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -148669,14 +147893,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 4.3882e-14 - I 1.4853e-26 + Hto 4.3876e-14 + I 1.4856e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0636e-15 + Nat 2.0631e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -148695,30 +147919,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.719e-13 4.381e-14 + Hto 3.718e-13 4.381e-14 I 1.261e-13 1.485e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.512e-15 4.137e-16 + Nat 3.511e-15 4.136e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.890e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.762e-10 + Electrical balance (eq) = -1.026e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -148730,22 +147954,22 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.079e-11 - CH4 3.079e-11 3.348e-11 -10.512 -10.475 0.036 35.46 +C(-4) 3.178e-11 + CH4 3.178e-11 3.455e-11 -10.498 -10.462 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 + CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -148757,10 +147981,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.934e-11 - H2 9.668e-12 1.051e-11 -11.015 -10.978 0.036 28.61 -Hto 3.719e-13 - Hto 3.719e-13 3.719e-13 -12.430 -12.430 0.000 (0) +H(0) 1.949e-11 + H2 9.744e-12 1.059e-11 -11.011 -10.975 0.036 28.61 +Hto 3.718e-13 + Hto 3.718e-13 3.718e-13 -12.430 -12.430 0.000 (0) I 1.261e-13 I- 1.261e-13 1.261e-13 -12.899 -12.899 -0.000 (0) K 1.540e-03 @@ -148772,22 +147996,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.512e-15 - Nat+ 3.512e-15 3.512e-15 -14.455 -14.455 -0.000 (0) +Nat 3.511e-15 + Nat+ 3.511e-15 3.511e-15 -14.455 -14.455 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.468 -70.432 0.036 30.40 -S(-2) 4.825e-08 - HS- 3.374e-08 2.221e-08 -7.472 -7.653 -0.182 21.14 - H2S 1.450e-08 1.577e-08 -7.839 -7.802 0.036 36.27 - S-2 1.371e-13 3.305e-14 -12.863 -13.481 -0.618 (0) - (H2S)2 1.205e-17 1.310e-17 -16.919 -16.883 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.475 -70.439 0.036 30.40 +S(-2) 4.979e-08 + HS- 3.483e-08 2.293e-08 -7.458 -7.640 -0.182 21.14 + H2S 1.497e-08 1.627e-08 -7.825 -7.789 0.036 36.27 + S-2 1.415e-13 3.411e-14 -12.849 -13.467 -0.618 (0) + (H2S)2 1.283e-17 1.395e-17 -16.892 -16.855 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -148802,8 +148025,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -148814,21 +148037,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.48 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.74 -7.94 H2S + H2S(g) -6.79 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.03 4.88 S + Sulfur -4.85 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -148852,7 +148075,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.520e-11 Surface + diffuse layer charge, eq + -9.548e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -148862,7 +148085,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -148871,14 +148094,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6610e-10 + Cl 4.6608e-10 H 1.2949e-04 - Hto 4.6867e-15 - I 1.3525e-27 + Hto 4.6859e-15 + I 1.3521e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3170e-16 + Nat 1.3167e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -148897,30 +148120,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.972e-14 4.679e-15 + Hto 3.971e-14 4.678e-15 I 1.148e-14 1.352e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.241e-16 2.640e-17 + Nat 2.240e-16 2.639e-17 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.153e-10 + Electrical balance (eq) = 4.652e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -148934,35 +148157,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.100e-11 - CH4 3.100e-11 3.371e-11 -10.509 -10.472 0.036 35.46 +C(-4) 3.199e-11 + CH4 3.199e-11 3.478e-11 -10.495 -10.459 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.937e-11 - H2 9.684e-12 1.053e-11 -11.014 -10.978 0.036 28.61 -Hto 3.972e-14 - Hto 3.972e-14 3.972e-14 -13.401 -13.401 0.000 (0) +H(0) 1.952e-11 + H2 9.761e-12 1.061e-11 -11.011 -10.974 0.036 28.61 +Hto 3.971e-14 + Hto 3.971e-14 3.971e-14 -13.401 -13.401 0.000 (0) I 1.148e-14 I- 1.148e-14 1.148e-14 -13.940 -13.940 -0.000 (0) K 1.540e-03 @@ -148974,22 +148197,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.241e-16 - Nat+ 2.241e-16 2.241e-16 -15.650 -15.650 -0.000 (0) +Nat 2.240e-16 + Nat+ 2.240e-16 2.240e-16 -15.650 -15.650 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.470 -70.434 0.036 30.40 -S(-2) 4.858e-08 - HS- 3.398e-08 2.237e-08 -7.469 -7.650 -0.182 21.14 - H2S 1.460e-08 1.588e-08 -7.836 -7.799 0.036 36.27 - S-2 1.380e-13 3.328e-14 -12.860 -13.478 -0.618 (0) - (H2S)2 1.222e-17 1.328e-17 -16.913 -16.877 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.477 -70.440 0.036 30.40 +S(-2) 5.013e-08 + HS- 3.506e-08 2.308e-08 -7.455 -7.637 -0.182 21.14 + H2S 1.507e-08 1.638e-08 -7.822 -7.786 0.036 36.27 + S-2 1.424e-13 3.434e-14 -12.846 -13.464 -0.618 (0) + (H2S)2 1.301e-17 1.414e-17 -16.886 -16.850 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -149004,8 +148226,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -149016,21 +148238,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.47 -2.80 CH4 + CH4(g) -7.66 -10.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.74 -7.94 H2S + H2S(g) -6.79 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.03 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -149054,7 +148276,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.530e-11 Surface + diffuse layer charge, eq + -9.558e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -149064,7 +148286,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -149073,14 +148295,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6609e-10 + Cl 4.6607e-10 H 1.2949e-04 - Hto 4.4280e-16 - I 1.0879e-28 + Hto 4.4272e-16 + I 1.0878e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.4058e-18 + Nat 7.4035e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -149099,30 +148321,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.753e-15 4.421e-16 + Hto 3.752e-15 4.420e-16 I 9.233e-16 1.088e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.260e-17 1.485e-18 + Nat 1.260e-17 1.484e-18 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.179 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.699e-10 + Electrical balance (eq) = -1.120e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -149136,35 +148358,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.135e-11 - CH4 3.135e-11 3.408e-11 -10.504 -10.467 0.036 35.46 +C(-4) 3.233e-11 + CH4 3.233e-11 3.516e-11 -10.490 -10.454 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.942e-11 - H2 9.711e-12 1.056e-11 -11.013 -10.976 0.036 28.61 -Hto 3.753e-15 - Hto 3.753e-15 3.753e-15 -14.426 -14.426 0.000 (0) + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.957e-11 + H2 9.787e-12 1.064e-11 -11.009 -10.973 0.036 28.61 +Hto 3.752e-15 + Hto 3.752e-15 3.752e-15 -14.426 -14.426 0.000 (0) I 9.233e-16 I- 9.233e-16 9.233e-16 -15.035 -15.035 -0.000 (0) K 1.540e-03 @@ -149176,22 +148398,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.260e-17 Nat+ 1.260e-17 1.260e-17 -16.900 -16.900 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.472 -70.436 0.036 30.40 -S(-2) 4.912e-08 - HS- 3.435e-08 2.262e-08 -7.464 -7.646 -0.182 21.14 - H2S 1.477e-08 1.605e-08 -7.831 -7.794 0.036 36.27 - S-2 1.396e-13 3.365e-14 -12.855 -13.473 -0.618 (0) - (H2S)2 1.249e-17 1.358e-17 -16.903 -16.867 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.479 -70.443 0.036 30.40 +S(-2) 5.066e-08 + HS- 3.544e-08 2.333e-08 -7.451 -7.632 -0.182 21.14 + H2S 1.523e-08 1.656e-08 -7.817 -7.781 0.036 36.27 + S-2 1.440e-13 3.471e-14 -12.842 -13.460 -0.618 (0) + (H2S)2 1.329e-17 1.445e-17 -16.877 -16.840 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -149200,14 +148421,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.537e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.086e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -149218,21 +148439,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.47 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.74 -7.94 H2S + H2S(g) -6.79 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.44 -2.89 O2 + O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.03 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -149256,7 +148477,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.538e-11 Surface + diffuse layer charge, eq + -9.566e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -149266,7 +148487,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -149275,14 +148496,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 + Cl 4.6607e-10 H 1.2949e-04 - Hto 3.7116e-17 + Hto 3.7108e-17 I 7.7561e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.6825e-19 + Nat 3.6813e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -149301,30 +148522,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.145e-16 3.706e-17 + Hto 3.145e-16 3.705e-17 I 6.582e-17 7.755e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.266e-19 7.382e-20 + Nat 6.264e-19 7.380e-20 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.179 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.713e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -149338,33 +148559,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.158e-11 - CH4 3.158e-11 3.434e-11 -10.501 -10.464 0.036 35.46 +C(-4) 3.257e-11 + CH4 3.257e-11 3.541e-11 -10.487 -10.451 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.946e-11 - H2 9.729e-12 1.058e-11 -11.012 -10.976 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.961e-11 + H2 9.804e-12 1.066e-11 -11.009 -10.972 0.036 28.61 Hto 3.145e-16 Hto 3.145e-16 3.145e-16 -15.502 -15.502 0.000 (0) I 6.582e-17 @@ -149384,16 +148605,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 6.266e-19 - Nat+ 6.266e-19 6.266e-19 -18.203 -18.203 -0.000 (0) +Nat 6.264e-19 + Nat+ 6.264e-19 6.264e-19 -18.203 -18.203 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.474 -70.438 0.036 30.40 -S(-2) 4.948e-08 - HS- 3.461e-08 2.278e-08 -7.461 -7.642 -0.182 21.14 - H2S 1.487e-08 1.617e-08 -7.828 -7.791 0.036 36.27 - S-2 1.406e-13 3.390e-14 -12.852 -13.470 -0.618 (0) - (H2S)2 1.268e-17 1.378e-17 -16.897 -16.861 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.481 -70.444 0.036 30.40 +S(-2) 5.103e-08 + HS- 3.569e-08 2.349e-08 -7.447 -7.629 -0.182 21.14 + H2S 1.534e-08 1.668e-08 -7.814 -7.778 0.036 36.27 + S-2 1.450e-13 3.496e-14 -12.839 -13.456 -0.618 (0) + (H2S)2 1.348e-17 1.465e-17 -16.870 -16.834 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -149402,8 +148622,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -149420,21 +148640,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.03 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -149458,7 +148678,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.540e-11 Surface + diffuse layer charge, eq + -9.568e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -149468,7 +148688,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -149477,14 +148697,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 2.7656e-18 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 2.7650e-18 I 4.9102e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6234e-20 + Nat 1.6229e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -149503,30 +148723,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.344e-17 2.761e-18 + Hto 2.343e-17 2.761e-18 I 4.168e-18 4.910e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.762e-20 3.254e-21 + Nat 2.761e-20 3.253e-21 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.718e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -149540,35 +148760,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.167e-11 - CH4 3.167e-11 3.443e-11 -10.499 -10.463 0.036 35.46 +C(-4) 3.266e-11 + CH4 3.266e-11 3.551e-11 -10.486 -10.450 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.947e-11 - H2 9.736e-12 1.059e-11 -11.012 -10.975 0.036 28.61 -Hto 2.344e-17 - Hto 2.344e-17 2.344e-17 -16.630 -16.630 0.000 (0) + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.962e-11 + H2 9.811e-12 1.067e-11 -11.008 -10.972 0.036 28.61 +Hto 2.343e-17 + Hto 2.343e-17 2.343e-17 -16.630 -16.630 0.000 (0) I 4.168e-18 I- 4.168e-18 4.168e-18 -17.380 -17.380 -0.000 (0) K 1.540e-03 @@ -149586,16 +148806,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.762e-20 - Nat+ 2.762e-20 2.762e-20 -19.559 -19.559 -0.000 (0) +Nat 2.761e-20 + Nat+ 2.761e-20 2.761e-20 -19.559 -19.559 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.438 0.036 30.40 -S(-2) 4.962e-08 - HS- 3.471e-08 2.285e-08 -7.460 -7.641 -0.182 21.14 - H2S 1.492e-08 1.622e-08 -7.826 -7.790 0.036 36.27 - S-2 1.410e-13 3.399e-14 -12.851 -13.469 -0.618 (0) - (H2S)2 1.275e-17 1.386e-17 -16.895 -16.858 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.481 -70.445 0.036 30.40 +S(-2) 5.117e-08 + HS- 3.579e-08 2.356e-08 -7.446 -7.628 -0.182 21.14 + H2S 1.538e-08 1.672e-08 -7.813 -7.777 0.036 36.27 + S-2 1.454e-13 3.505e-14 -12.837 -13.455 -0.618 (0) + (H2S)2 1.355e-17 1.474e-17 -16.868 -16.832 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -149604,8 +148823,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -149622,21 +148841,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -149660,7 +148879,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.541e-11 Surface + diffuse layer charge, eq + -9.569e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -149670,7 +148889,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -149679,14 +148898,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 1.8342e-19 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 1.8338e-19 I 2.7655e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3549e-22 + Nat 6.3524e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -149710,25 +148929,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.081e-21 1.274e-22 + Nat 1.081e-21 1.273e-22 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.719e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -149742,35 +148961,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.169e-11 - CH4 3.169e-11 3.446e-11 -10.499 -10.463 0.036 35.46 +C(-4) 3.268e-11 + CH4 3.268e-11 3.553e-11 -10.486 -10.449 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.948e-11 - H2 9.738e-12 1.059e-11 -11.012 -10.975 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.963e-11 + H2 9.813e-12 1.067e-11 -11.008 -10.972 0.036 28.61 Hto 1.554e-18 - Hto 1.554e-18 1.554e-18 -17.808 -17.808 0.000 (0) + Hto 1.554e-18 1.554e-18 -17.809 -17.809 0.000 (0) I 2.347e-19 I- 2.347e-19 2.347e-19 -18.629 -18.629 -0.000 (0) K 1.540e-03 @@ -149782,22 +149001,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.081e-21 Nat+ 1.081e-21 1.081e-21 -20.966 -20.966 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.438 0.036 30.40 -S(-2) 4.966e-08 - HS- 3.473e-08 2.286e-08 -7.459 -7.641 -0.182 21.14 - H2S 1.493e-08 1.623e-08 -7.826 -7.790 0.036 36.27 - S-2 1.411e-13 3.402e-14 -12.850 -13.468 -0.618 (0) - (H2S)2 1.277e-17 1.388e-17 -16.894 -16.858 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.481 -70.445 0.036 30.40 +S(-2) 5.121e-08 + HS- 3.581e-08 2.358e-08 -7.446 -7.628 -0.182 21.14 + H2S 1.539e-08 1.673e-08 -7.813 -7.776 0.036 36.27 + S-2 1.455e-13 3.508e-14 -12.837 -13.455 -0.618 (0) + (H2S)2 1.357e-17 1.476e-17 -16.867 -16.831 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -149806,8 +149024,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -149824,21 +149042,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -149862,7 +149080,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.541e-11 Surface + diffuse layer charge, eq + -9.569e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -149872,7 +149090,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -149881,14 +149099,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 1.0832e-20 - I 1.3861e-33 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 1.0830e-20 + I 1.3860e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1954e-23 + Nat 2.1945e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -149907,30 +149125,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.180e-20 1.081e-20 + Hto 9.178e-20 1.081e-20 I 1.176e-20 1.386e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.736e-23 4.401e-24 + Nat 3.734e-23 4.399e-24 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.716e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -149944,35 +149162,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.170e-11 - CH4 3.170e-11 3.446e-11 -10.499 -10.463 0.036 35.46 +C(-4) 3.268e-11 + CH4 3.268e-11 3.554e-11 -10.486 -10.449 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.948e-11 - H2 9.738e-12 1.059e-11 -11.012 -10.975 0.036 28.61 -Hto 9.180e-20 - Hto 9.180e-20 9.180e-20 -19.037 -19.037 0.000 (0) + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.963e-11 + H2 9.813e-12 1.067e-11 -11.008 -10.972 0.036 28.61 +Hto 9.178e-20 + Hto 9.178e-20 9.178e-20 -19.037 -19.037 0.000 (0) I 1.176e-20 I- 1.176e-20 1.176e-20 -19.929 -19.929 -0.000 (0) K 1.540e-03 @@ -149984,22 +149202,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.736e-23 - Nat+ 3.736e-23 3.736e-23 -22.428 -22.428 -0.000 (0) +Nat 3.734e-23 + Nat+ 3.734e-23 3.734e-23 -22.428 -22.428 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.438 0.036 30.40 -S(-2) 4.967e-08 - HS- 3.474e-08 2.287e-08 -7.459 -7.641 -0.182 21.14 - H2S 1.493e-08 1.623e-08 -7.826 -7.790 0.036 36.27 - S-2 1.411e-13 3.402e-14 -12.850 -13.468 -0.618 (0) - (H2S)2 1.277e-17 1.388e-17 -16.894 -16.857 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.481 -70.445 0.036 30.40 +S(-2) 5.121e-08 + HS- 3.582e-08 2.358e-08 -7.446 -7.627 -0.182 21.14 + H2S 1.539e-08 1.674e-08 -7.813 -7.776 0.036 36.27 + S-2 1.455e-13 3.508e-14 -12.837 -13.455 -0.618 (0) + (H2S)2 1.358e-17 1.476e-17 -16.867 -16.831 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -150008,8 +149225,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -150026,21 +149243,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -150064,7 +149281,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.541e-11 Surface + diffuse layer charge, eq + -9.569e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -150074,7 +149291,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -150083,14 +149300,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 5.6944e-22 - I 6.1760e-35 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 5.6929e-22 + I 6.1749e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.5621e-25 + Nat 5.5596e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -150109,30 +149326,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.826e-21 5.685e-22 + Hto 4.824e-21 5.684e-22 I 5.241e-22 6.174e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.464e-25 1.115e-25 + Nat 9.460e-25 1.115e-25 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.717e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -150146,35 +149363,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.170e-11 - CH4 3.170e-11 3.446e-11 -10.499 -10.463 0.036 35.46 +C(-4) 3.269e-11 + CH4 3.269e-11 3.554e-11 -10.486 -10.449 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.948e-11 - H2 9.738e-12 1.059e-11 -11.012 -10.975 0.036 28.61 -Hto 4.826e-21 - Hto 4.826e-21 4.826e-21 -20.316 -20.316 0.000 (0) + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.963e-11 + H2 9.813e-12 1.067e-11 -11.008 -10.972 0.036 28.61 +Hto 4.824e-21 + Hto 4.824e-21 4.824e-21 -20.317 -20.317 0.000 (0) I 5.241e-22 I- 5.241e-22 5.241e-22 -21.281 -21.281 -0.000 (0) K 1.540e-03 @@ -150186,22 +149403,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.464e-25 - Nat+ 9.464e-25 9.464e-25 -24.024 -24.024 -0.000 (0) +Nat 9.460e-25 + Nat+ 9.460e-25 9.460e-25 -24.024 -24.024 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.438 0.036 30.40 -S(-2) 4.967e-08 - HS- 3.474e-08 2.287e-08 -7.459 -7.641 -0.182 21.14 - H2S 1.493e-08 1.623e-08 -7.826 -7.790 0.036 36.27 - S-2 1.411e-13 3.402e-14 -12.850 -13.468 -0.618 (0) - (H2S)2 1.277e-17 1.388e-17 -16.894 -16.857 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.481 -70.445 0.036 30.40 +S(-2) 5.121e-08 + HS- 3.582e-08 2.358e-08 -7.446 -7.627 -0.182 21.14 + H2S 1.539e-08 1.674e-08 -7.813 -7.776 0.036 36.27 + S-2 1.455e-13 3.508e-14 -12.837 -13.455 -0.618 (0) + (H2S)2 1.358e-17 1.476e-17 -16.867 -16.831 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -150210,8 +149426,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -150228,21 +149444,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -150266,7 +149482,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.541e-11 Surface + diffuse layer charge, eq + -9.569e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -150276,7 +149492,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -150285,10 +149501,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 2.6552e-23 - I 2.3789e-36 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 2.6545e-23 + I 2.3785e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -150310,29 +149526,29 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.250e-22 2.651e-23 + Hto 2.250e-22 2.650e-23 I 2.019e-23 2.378e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.717e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -150346,33 +149562,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.170e-11 - CH4 3.170e-11 3.446e-11 -10.499 -10.463 0.036 35.46 +C(-4) 3.269e-11 + CH4 3.269e-11 3.554e-11 -10.486 -10.449 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.948e-11 - H2 9.738e-12 1.059e-11 -11.012 -10.975 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.963e-11 + H2 9.813e-12 1.067e-11 -11.008 -10.972 0.036 28.61 Hto 2.250e-22 Hto 2.250e-22 2.250e-22 -21.648 -21.648 0.000 (0) I 2.019e-23 @@ -150386,20 +149602,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.438 0.036 30.40 -S(-2) 4.967e-08 - HS- 3.474e-08 2.287e-08 -7.459 -7.641 -0.182 21.14 - H2S 1.493e-08 1.623e-08 -7.826 -7.790 0.036 36.27 - S-2 1.411e-13 3.402e-14 -12.850 -13.468 -0.618 (0) - (H2S)2 1.277e-17 1.388e-17 -16.894 -16.857 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.481 -70.445 0.036 30.40 +S(-2) 5.121e-08 + HS- 3.582e-08 2.358e-08 -7.446 -7.627 -0.182 21.14 + H2S 1.539e-08 1.674e-08 -7.813 -7.776 0.036 36.27 + S-2 1.455e-13 3.508e-14 -12.837 -13.455 -0.618 (0) + (H2S)2 1.358e-17 1.476e-17 -16.867 -16.831 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -150408,8 +149623,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -150426,21 +149641,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -150464,7 +149679,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.541e-11 Surface + diffuse layer charge, eq + -9.569e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -150474,7 +149689,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -150483,9 +149698,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 1.0639e-24 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 1.0636e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -150507,28 +149722,28 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.016e-24 1.062e-24 + Hto 9.014e-24 1.062e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.720e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -150542,35 +149757,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.170e-11 - CH4 3.170e-11 3.446e-11 -10.499 -10.463 0.036 35.46 +C(-4) 3.269e-11 + CH4 3.269e-11 3.554e-11 -10.486 -10.449 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.948e-11 - H2 9.738e-12 1.059e-11 -11.012 -10.975 0.036 28.61 -Hto 9.016e-24 - Hto 9.016e-24 9.016e-24 -23.045 -23.045 0.000 (0) + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.963e-11 + H2 9.813e-12 1.067e-11 -11.008 -10.972 0.036 28.61 +Hto 9.014e-24 + Hto 9.014e-24 9.014e-24 -23.045 -23.045 0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 @@ -150580,20 +149795,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.438 0.036 30.40 -S(-2) 4.967e-08 - HS- 3.474e-08 2.287e-08 -7.459 -7.641 -0.182 21.14 - H2S 1.493e-08 1.623e-08 -7.826 -7.790 0.036 36.27 - S-2 1.411e-13 3.402e-14 -12.850 -13.468 -0.618 (0) - (H2S)2 1.277e-17 1.388e-17 -16.894 -16.857 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.481 -70.445 0.036 30.40 +S(-2) 5.121e-08 + HS- 3.582e-08 2.358e-08 -7.446 -7.627 -0.182 21.14 + H2S 1.539e-08 1.674e-08 -7.813 -7.776 0.036 36.27 + S-2 1.455e-13 3.508e-14 -12.837 -13.455 -0.618 (0) + (H2S)2 1.358e-17 1.476e-17 -16.867 -16.831 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -150602,8 +149816,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -150620,21 +149834,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.98 -3.10 H2 + H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -150664,18 +149878,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -150689,8 +149903,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -150714,8 +149928,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -150735,16 +149949,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -150771,21 +149984,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -150813,18 +150026,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -150838,8 +150051,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -150863,8 +150076,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -150884,16 +150097,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -150920,21 +150132,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -150971,18 +150183,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.025 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.023 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.003e-12 + Electrical balance (eq) = -9.602e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -150996,8 +150208,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.928e-12 - CH4 1.928e-12 2.096e-12 -11.715 -11.679 0.036 35.46 +C(-4) 1.843e-12 + CH4 1.843e-12 2.004e-12 -11.734 -11.698 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -151021,8 +150233,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.669e-12 - H2 4.835e-12 5.256e-12 -11.316 -11.279 0.036 28.61 +H(0) 9.562e-12 + H2 4.781e-12 5.198e-12 -11.320 -11.284 0.036 28.61 Hto 5.523e-07 Hto 5.523e-07 5.523e-07 -6.258 -6.258 0.000 (0) I 7.256e-07 @@ -151042,16 +150254,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.157e-07 Nat+ 3.157e-07 3.157e-07 -6.501 -6.501 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.866 -69.830 0.036 30.40 -S(-2) 3.022e-09 - HS- 2.113e-09 1.391e-09 -8.675 -8.857 -0.182 21.14 - H2S 9.091e-10 9.884e-10 -9.041 -9.005 0.036 36.27 - S-2 8.574e-15 2.067e-15 -14.067 -14.685 -0.618 (0) - (H2S)2 4.735e-20 5.148e-20 -19.325 -19.288 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.857 -69.820 0.036 30.40 +S(-2) 2.890e-09 + HS- 2.020e-09 1.330e-09 -8.695 -8.876 -0.182 21.14 + H2S 8.694e-10 9.452e-10 -9.061 -9.024 0.036 36.27 + S-2 8.200e-15 1.977e-15 -14.086 -14.704 -0.618 (0) + (H2S)2 4.330e-20 4.708e-20 -19.363 -19.327 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -151078,21 +150289,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.88 -11.68 -2.80 CH4 + CH4(g) -8.90 -11.70 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.18 -11.28 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -8.01 -15.95 -7.94 H2S + H2S(g) -8.03 -15.97 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.94 -69.83 -2.89 O2 + O2(g) -66.93 -69.82 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.76 -0.88 4.88 S + Sulfur -5.77 -0.89 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -151116,7 +150327,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.674e-14 Surface + diffuse layer charge, eq + -4.763e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -151126,7 +150337,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -151135,10 +150346,10 @@ Su Element Moles C 1.6145e-04 Ca 7.1884e-02 - Cl 4.6654e-10 + Cl 4.6655e-10 H 1.2947e-04 - Hto 5.5720e-08 - I 7.3480e-20 + Hto 5.5721e-08 + I 7.3467e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -151173,18 +150384,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.089 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.088 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.948e-09 + Electrical balance (eq) = 1.680e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -151198,8 +150409,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.245e-12 - CH4 6.245e-12 6.790e-12 -11.204 -11.168 0.036 35.46 +C(-4) 6.155e-12 + CH4 6.155e-12 6.692e-12 -11.211 -11.174 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -151223,8 +150434,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.297e-11 - H2 6.487e-12 7.052e-12 -11.188 -11.152 0.036 28.61 +H(0) 1.293e-11 + H2 6.463e-12 7.027e-12 -11.190 -11.153 0.036 28.61 Hto 4.722e-07 Hto 4.722e-07 4.722e-07 -6.326 -6.326 0.000 (0) I 6.236e-07 @@ -151244,16 +150455,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.786e-07 Nat+ 2.786e-07 2.786e-07 -6.555 -6.555 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.122 -70.085 0.036 30.40 -S(-2) 9.790e-09 - HS- 6.845e-09 4.506e-09 -8.165 -8.346 -0.182 21.14 - H2S 2.945e-09 3.202e-09 -8.531 -8.495 0.036 36.27 - S-2 2.778e-14 6.697e-15 -13.556 -14.174 -0.618 (0) - (H2S)2 4.968e-19 5.402e-19 -18.304 -18.267 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.119 -70.082 0.036 30.40 +S(-2) 9.649e-09 + HS- 6.747e-09 4.441e-09 -8.171 -8.352 -0.182 21.14 + H2S 2.902e-09 3.156e-09 -8.537 -8.501 0.036 36.27 + S-2 2.738e-14 6.601e-15 -13.562 -14.180 -0.618 (0) + (H2S)2 4.826e-19 5.247e-19 -18.316 -18.280 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -151287,14 +150497,14 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.50 -15.44 -7.94 H2S + H2S(g) -7.51 -15.44 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.19 -70.09 -2.89 O2 + O2(g) -67.19 -70.08 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.37 -0.49 4.88 S + Sulfur -5.38 -0.50 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -151318,7 +150528,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.373e-11 Surface + diffuse layer charge, eq + -9.369e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -151328,7 +150538,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -151340,11 +150550,11 @@ Su Cl 4.6623e-10 H 1.2949e-04 Hto 3.2777e-08 - I 3.9579e-20 + I 3.9586e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.2650e-08 + Nat 8.2649e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -151376,17 +150586,17 @@ Su pH = 7.090 Charge balance pe = -3.161 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.250e-11 + Electrical balance (eq) = 3.419e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -151400,8 +150610,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.313e-11 - CH4 2.313e-11 2.515e-11 -10.636 -10.599 0.036 35.46 +C(-4) 2.311e-11 + CH4 2.311e-11 2.513e-11 -10.636 -10.600 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -151426,7 +150636,7 @@ Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) H(0) 1.800e-11 - H2 9.000e-12 9.785e-12 -11.046 -11.009 0.036 28.61 + H2 8.998e-12 9.783e-12 -11.046 -11.010 0.036 28.61 Hto 2.778e-07 Hto 2.778e-07 2.778e-07 -6.556 -6.556 0.000 (0) I 3.359e-07 @@ -151446,16 +150656,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.091e-18 -17.716 -17.680 0.036 (0) Nat 1.406e-07 Nat+ 1.406e-07 1.406e-07 -6.852 -6.852 -0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.406 -70.370 0.036 30.40 -S(-2) 3.625e-08 - HS- 2.535e-08 1.669e-08 -7.596 -7.778 -0.182 21.14 - H2S 1.090e-08 1.185e-08 -7.963 -7.926 0.036 36.27 - S-2 1.030e-13 2.482e-14 -12.987 -13.605 -0.618 (0) - (H2S)2 6.807e-18 7.401e-18 -17.167 -17.131 0.036 30.09 +S(-2) 3.622e-08 + HS- 2.533e-08 1.667e-08 -7.596 -7.778 -0.182 21.14 + H2S 1.089e-08 1.184e-08 -7.963 -7.927 0.036 36.27 + S-2 1.029e-13 2.480e-14 -12.988 -13.606 -0.618 (0) + (H2S)2 6.793e-18 7.385e-18 -17.168 -17.132 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -151520,7 +150729,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.588e-11 Surface + diffuse layer charge, eq + -9.590e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -151530,7 +150739,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -151539,14 +150748,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6612e-10 + Cl 4.6611e-10 H 1.2949e-04 Hto 1.5324e-08 - I 1.6636e-20 + I 1.6640e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9120e-08 + Nat 2.9119e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -151570,25 +150779,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.955e-08 5.838e-09 + Nat 4.955e-08 5.837e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.175 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.675e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -151602,8 +150811,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.954e-11 - CH4 2.954e-11 3.212e-11 -10.530 -10.493 0.036 35.46 +C(-4) 2.984e-11 + CH4 2.984e-11 3.245e-11 -10.525 -10.489 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -151626,9 +150835,9 @@ Ca 2.590e-02 CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.914e-11 - H2 9.568e-12 1.040e-11 -11.019 -10.983 0.036 28.61 + HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.919e-11 + H2 9.593e-12 1.043e-11 -11.018 -10.982 0.036 28.61 Hto 1.299e-07 Hto 1.299e-07 1.299e-07 -6.887 -6.887 0.000 (0) I 1.412e-07 @@ -151648,16 +150857,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 4.955e-08 Nat+ 4.955e-08 4.955e-08 -7.305 -7.305 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.459 -70.423 0.036 30.40 -S(-2) 4.629e-08 - HS- 3.238e-08 2.131e-08 -7.490 -7.671 -0.182 21.14 - H2S 1.392e-08 1.513e-08 -7.856 -7.820 0.036 36.27 - S-2 1.315e-13 3.171e-14 -12.881 -13.499 -0.618 (0) - (H2S)2 1.109e-17 1.206e-17 -16.955 -16.919 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.462 -70.425 0.036 30.40 +S(-2) 4.676e-08 + HS- 3.271e-08 2.153e-08 -7.485 -7.667 -0.182 21.14 + H2S 1.406e-08 1.528e-08 -7.852 -7.816 0.036 36.27 + S-2 1.329e-13 3.203e-14 -12.877 -13.494 -0.618 (0) + (H2S)2 1.132e-17 1.231e-17 -16.946 -16.910 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -151691,14 +150899,14 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.76 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.42 -2.89 O2 + O2(g) -67.53 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.87 0.01 4.88 S + Sulfur -4.87 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -151722,7 +150930,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.604e-11 Surface + diffuse layer charge, eq + -9.623e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -151732,7 +150940,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -151741,14 +150949,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 5.7925e-09 + Cl 4.6607e-10 + H 1.2950e-04 + Hto 5.7923e-09 I 5.5727e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.6670e-09 + Nat 7.6665e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -151779,18 +150987,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.179 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.723e-10 + Electrical balance (eq) = -1.222e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -151804,33 +151012,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.177e-11 - CH4 3.177e-11 3.455e-11 -10.498 -10.462 0.036 35.46 +C(-4) 3.243e-11 + CH4 3.243e-11 3.526e-11 -10.489 -10.453 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.949e-11 - H2 9.744e-12 1.059e-11 -11.011 -10.975 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.959e-11 + H2 9.794e-12 1.065e-11 -11.009 -10.973 0.036 28.61 Hto 4.909e-08 Hto 4.909e-08 4.909e-08 -7.309 -7.309 0.000 (0) I 4.729e-08 @@ -151850,16 +151058,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.305e-08 Nat+ 1.305e-08 1.305e-08 -7.885 -7.885 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.439 0.036 30.40 -S(-2) 4.979e-08 - HS- 3.482e-08 2.292e-08 -7.458 -7.640 -0.182 21.14 - H2S 1.497e-08 1.627e-08 -7.825 -7.789 0.036 36.27 - S-2 1.415e-13 3.411e-14 -12.849 -13.467 -0.618 (0) - (H2S)2 1.283e-17 1.395e-17 -16.892 -16.855 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.480 -70.443 0.036 30.40 +S(-2) 5.082e-08 + HS- 3.554e-08 2.340e-08 -7.449 -7.631 -0.182 21.14 + H2S 1.528e-08 1.661e-08 -7.816 -7.780 0.036 36.27 + S-2 1.444e-13 3.481e-14 -12.840 -13.458 -0.618 (0) + (H2S)2 1.337e-17 1.454e-17 -16.874 -16.838 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -151868,8 +151075,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -151886,21 +151093,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.73 -7.94 H2S + H2S(g) -6.79 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -151924,7 +151131,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.588e-11 Surface + diffuse layer charge, eq + -9.615e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -151934,7 +151141,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -151943,14 +151150,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6607e-10 - H 1.2949e-04 + Cl 4.6605e-10 + H 1.2950e-04 Hto 1.8028e-09 I 1.5202e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5819e-09 + Nat 1.5817e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -151981,18 +151188,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.696e-10 + Electrical balance (eq) = -1.220e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -152006,33 +151213,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.243e-11 - CH4 3.243e-11 3.526e-11 -10.489 -10.453 0.036 35.46 +C(-4) 3.331e-11 + CH4 3.331e-11 3.621e-11 -10.477 -10.441 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.959e-11 - H2 9.794e-12 1.065e-11 -11.009 -10.973 0.036 28.61 +H(0) 1.972e-11 + H2 9.860e-12 1.072e-11 -11.006 -10.970 0.036 28.61 Hto 1.528e-08 Hto 1.528e-08 1.528e-08 -7.816 -7.816 0.000 (0) I 1.290e-08 @@ -152040,28 +151247,27 @@ I 1.290e-08 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.692e-09 Nat+ 2.692e-09 2.692e-09 -8.570 -8.570 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.480 -70.443 0.036 30.40 -S(-2) 5.082e-08 - HS- 3.554e-08 2.340e-08 -7.449 -7.631 -0.182 21.14 - H2S 1.528e-08 1.661e-08 -7.816 -7.780 0.036 36.27 - S-2 1.444e-13 3.481e-14 -12.840 -13.458 -0.618 (0) - (H2S)2 1.337e-17 1.454e-17 -16.874 -16.838 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.485 -70.449 0.036 30.40 +S(-2) 5.218e-08 + HS- 3.650e-08 2.403e-08 -7.438 -7.619 -0.182 21.14 + H2S 1.569e-08 1.705e-08 -7.804 -7.768 0.036 36.27 + S-2 1.483e-13 3.575e-14 -12.829 -13.447 -0.618 (0) + (H2S)2 1.410e-17 1.533e-17 -16.851 -16.815 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -152070,7 +151276,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -152088,21 +151294,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.72 -7.94 H2S + H2S(g) -6.77 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -152126,7 +151332,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.576e-11 Surface + diffuse layer charge, eq + -9.604e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -152136,7 +151342,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -152145,14 +151351,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6607e-10 - H 1.2949e-04 - Hto 4.6963e-10 + Cl 4.6605e-10 + H 1.2950e-04 + Hto 4.6960e-10 I 3.4442e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6444e-10 + Nat 2.6441e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -152171,30 +151377,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.980e-09 4.689e-10 + Hto 3.980e-09 4.688e-10 I 2.923e-09 3.444e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.500e-10 5.301e-11 + Nat 4.499e-10 5.301e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.676e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -152208,33 +151414,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.252e-11 - CH4 3.252e-11 3.536e-11 -10.488 -10.451 0.036 35.46 +C(-4) 3.348e-11 + CH4 3.348e-11 3.640e-11 -10.475 -10.439 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.960e-11 - H2 9.801e-12 1.066e-11 -11.009 -10.972 0.036 28.61 +H(0) 1.974e-11 + H2 9.872e-12 1.073e-11 -11.006 -10.969 0.036 28.61 Hto 3.980e-09 Hto 3.980e-09 3.980e-09 -8.400 -8.400 0.000 (0) I 2.923e-09 @@ -152242,28 +151448,27 @@ I 2.923e-09 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.500e-10 - Nat+ 4.500e-10 4.500e-10 -9.347 -9.347 -0.000 (0) +Nat 4.499e-10 + Nat+ 4.499e-10 4.499e-10 -9.347 -9.347 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.480 -70.444 0.036 30.40 -S(-2) 5.096e-08 - HS- 3.564e-08 2.346e-08 -7.448 -7.630 -0.182 21.14 - H2S 1.532e-08 1.665e-08 -7.815 -7.778 0.036 36.27 - S-2 1.448e-13 3.491e-14 -12.839 -13.457 -0.618 (0) - (H2S)2 1.344e-17 1.462e-17 -16.871 -16.835 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.487 -70.450 0.036 30.40 +S(-2) 5.246e-08 + HS- 3.669e-08 2.415e-08 -7.435 -7.617 -0.182 21.14 + H2S 1.577e-08 1.714e-08 -7.802 -7.766 0.036 36.27 + S-2 1.491e-13 3.594e-14 -12.827 -13.444 -0.618 (0) + (H2S)2 1.424e-17 1.549e-17 -16.846 -16.810 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -152272,7 +151477,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -152290,21 +151495,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -152328,7 +151533,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.566e-11 Surface + diffuse layer charge, eq + -9.594e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -152338,7 +151543,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -152347,14 +151552,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6607e-10 - H 1.2949e-04 - Hto 1.0382e-10 + Cl 4.6605e-10 + H 1.2950e-04 + Hto 1.0381e-10 I 6.5838e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.6693e-11 + Nat 3.6688e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -152373,30 +151578,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.798e-10 1.037e-10 + Hto 8.798e-10 1.036e-10 I 5.588e-10 6.583e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.244e-11 7.356e-12 + Nat 6.243e-11 7.355e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.666e-10 + Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -152410,18 +151615,18 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.236e-11 - CH4 3.236e-11 3.518e-11 -10.490 -10.454 0.036 35.46 +C(-4) 3.334e-11 + CH4 3.334e-11 3.624e-11 -10.477 -10.441 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 @@ -152429,14 +151634,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.958e-11 - H2 9.788e-12 1.064e-11 -11.009 -10.973 0.036 28.61 +H(0) 1.972e-11 + H2 9.862e-12 1.072e-11 -11.006 -10.970 0.036 28.61 Hto 8.798e-10 Hto 8.798e-10 8.798e-10 -9.056 -9.056 0.000 (0) I 5.588e-10 @@ -152450,32 +151655,31 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 6.244e-11 - Nat+ 6.244e-11 6.244e-11 -10.205 -10.205 -0.000 (0) +Nat 6.243e-11 + Nat+ 6.243e-11 6.243e-11 -10.205 -10.205 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.479 -70.443 0.036 30.40 -S(-2) 5.070e-08 - HS- 3.546e-08 2.334e-08 -7.450 -7.632 -0.182 21.14 - H2S 1.524e-08 1.657e-08 -7.817 -7.781 0.036 36.27 - S-2 1.441e-13 3.473e-14 -12.841 -13.459 -0.618 (0) - (H2S)2 1.330e-17 1.447e-17 -16.876 -16.840 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.486 -70.449 0.036 30.40 +S(-2) 5.223e-08 + HS- 3.653e-08 2.405e-08 -7.437 -7.619 -0.182 21.14 + H2S 1.570e-08 1.707e-08 -7.804 -7.768 0.036 36.27 + S-2 1.484e-13 3.578e-14 -12.828 -13.446 -0.618 (0) + (H2S)2 1.412e-17 1.535e-17 -16.850 -16.814 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -152492,21 +151696,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.72 -7.94 H2S + H2S(g) -6.77 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -152530,7 +151734,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.555e-11 Surface + diffuse layer charge, eq + -9.583e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -152540,7 +151744,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -152549,14 +151753,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 1.9704e-11 - I 1.0757e-23 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 1.9702e-11 + I 1.0760e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3027e-12 + Nat 4.3019e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -152580,25 +151784,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.321e-12 8.625e-13 + Nat 7.320e-12 8.624e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.506e-10 + Electrical balance (eq) = -7.028e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -152612,17 +151816,17 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.207e-11 - CH4 3.207e-11 3.487e-11 -10.494 -10.458 0.036 35.46 +C(-4) 3.306e-11 + CH4 3.306e-11 3.594e-11 -10.481 -10.444 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 @@ -152631,14 +151835,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.953e-11 - H2 9.767e-12 1.062e-11 -11.010 -10.974 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.968e-11 + H2 9.841e-12 1.070e-11 -11.007 -10.971 0.036 28.61 Hto 1.670e-10 Hto 1.670e-10 1.670e-10 -9.777 -9.777 0.000 (0) I 9.131e-11 @@ -152652,22 +151856,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 7.321e-12 - Nat+ 7.321e-12 7.321e-12 -11.135 -11.135 -0.000 (0) +Nat 7.320e-12 + Nat+ 7.320e-12 7.320e-12 -11.135 -11.135 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.477 -70.441 0.036 30.40 -S(-2) 5.025e-08 - HS- 3.515e-08 2.314e-08 -7.454 -7.636 -0.182 21.14 - H2S 1.511e-08 1.642e-08 -7.821 -7.785 0.036 36.27 - S-2 1.428e-13 3.443e-14 -12.845 -13.463 -0.618 (0) - (H2S)2 1.307e-17 1.421e-17 -16.884 -16.847 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.484 -70.448 0.036 30.40 +S(-2) 5.180e-08 + HS- 3.623e-08 2.385e-08 -7.441 -7.623 -0.182 21.14 + H2S 1.557e-08 1.693e-08 -7.808 -7.771 0.036 36.27 + S-2 1.472e-13 3.548e-14 -12.832 -13.450 -0.618 (0) + (H2S)2 1.389e-17 1.510e-17 -16.857 -16.821 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -152676,8 +151879,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -152694,21 +151897,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.73 -7.94 H2S + H2S(g) -6.78 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -152732,7 +151935,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.546e-11 Surface + diffuse layer charge, eq + -9.574e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -152742,7 +151945,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -152751,14 +151954,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 3.2407e-12 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 3.2404e-12 I 1.5184e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3223e-13 + Nat 4.3214e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -152777,30 +151980,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.746e-11 3.236e-12 + Hto 2.746e-11 3.235e-12 I 1.289e-11 1.518e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.355e-13 8.665e-14 + Nat 7.353e-13 8.663e-14 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.013e-10 + Electrical balance (eq) = -6.516e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -152814,33 +152017,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.186e-11 - CH4 3.186e-11 3.464e-11 -10.497 -10.460 0.036 35.46 +C(-4) 3.284e-11 + CH4 3.284e-11 3.571e-11 -10.484 -10.447 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.950e-11 - H2 9.750e-12 1.060e-11 -11.011 -10.975 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.965e-11 + H2 9.825e-12 1.068e-11 -11.008 -10.971 0.036 28.61 Hto 2.746e-11 Hto 2.746e-11 2.746e-11 -10.561 -10.561 0.000 (0) I 1.289e-11 @@ -152854,22 +152057,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 7.355e-13 - Nat+ 7.355e-13 7.355e-13 -12.133 -12.133 -0.000 (0) +Nat 7.353e-13 + Nat+ 7.353e-13 7.353e-13 -12.134 -12.134 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.476 -70.439 0.036 30.40 -S(-2) 4.992e-08 - HS- 3.491e-08 2.298e-08 -7.457 -7.639 -0.182 21.14 - H2S 1.500e-08 1.631e-08 -7.824 -7.787 0.036 36.27 - S-2 1.418e-13 3.419e-14 -12.848 -13.466 -0.618 (0) - (H2S)2 1.290e-17 1.402e-17 -16.889 -16.853 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.482 -70.446 0.036 30.40 +S(-2) 5.146e-08 + HS- 3.599e-08 2.369e-08 -7.444 -7.625 -0.182 21.14 + H2S 1.547e-08 1.682e-08 -7.811 -7.774 0.036 36.27 + S-2 1.462e-13 3.525e-14 -12.835 -13.453 -0.618 (0) + (H2S)2 1.371e-17 1.490e-17 -16.863 -16.827 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -152878,8 +152080,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -152896,21 +152098,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -152934,7 +152136,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.542e-11 Surface + diffuse layer charge, eq + -9.570e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -152944,7 +152146,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -152953,14 +152155,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 4.6549e-13 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 4.6543e-13 I 1.8670e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.7591e-14 + Nat 3.7583e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -152979,30 +152181,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.945e-12 4.647e-13 + Hto 3.944e-12 4.647e-13 I 1.585e-12 1.867e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.397e-14 7.536e-15 + Nat 6.395e-14 7.534e-15 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.571e-10 + Electrical balance (eq) = -1.107e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -153016,35 +152218,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.177e-11 - CH4 3.177e-11 3.454e-11 -10.498 -10.462 0.036 35.46 +C(-4) 3.276e-11 + CH4 3.276e-11 3.562e-11 -10.485 -10.448 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.949e-11 - H2 9.744e-12 1.059e-11 -11.011 -10.975 0.036 28.61 -Hto 3.945e-12 - Hto 3.945e-12 3.945e-12 -11.404 -11.404 0.000 (0) + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.964e-11 + H2 9.819e-12 1.068e-11 -11.008 -10.972 0.036 28.61 +Hto 3.944e-12 + Hto 3.944e-12 3.944e-12 -11.404 -11.404 0.000 (0) I 1.585e-12 I- 1.585e-12 1.585e-12 -11.800 -11.800 -0.000 (0) K 1.540e-03 @@ -153056,22 +152258,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 6.397e-14 - Nat+ 6.397e-14 6.397e-14 -13.194 -13.194 -0.000 (0) +Nat 6.395e-14 + Nat+ 6.395e-14 6.395e-14 -13.194 -13.194 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.439 0.036 30.40 -S(-2) 4.978e-08 - HS- 3.482e-08 2.292e-08 -7.458 -7.640 -0.182 21.14 - H2S 1.496e-08 1.627e-08 -7.825 -7.789 0.036 36.27 - S-2 1.415e-13 3.410e-14 -12.849 -13.467 -0.618 (0) - (H2S)2 1.283e-17 1.395e-17 -16.892 -16.855 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.482 -70.446 0.036 30.40 +S(-2) 5.133e-08 + HS- 3.590e-08 2.363e-08 -7.445 -7.626 -0.182 21.14 + H2S 1.543e-08 1.677e-08 -7.812 -7.775 0.036 36.27 + S-2 1.459e-13 3.516e-14 -12.836 -13.454 -0.618 (0) + (H2S)2 1.364e-17 1.483e-17 -16.865 -16.829 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -153080,8 +152281,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -153098,21 +152299,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -153136,7 +152337,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.542e-11 Surface + diffuse layer charge, eq + -9.570e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -153146,7 +152347,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -153155,14 +152356,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 5.8756e-14 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 5.8747e-14 I 2.0132e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8539e-15 + Nat 2.8532e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -153181,30 +152382,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.979e-13 5.866e-14 + Hto 4.979e-13 5.865e-14 I 1.708e-13 2.013e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.856e-15 5.721e-16 + Nat 4.855e-15 5.720e-16 S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.890e-05 + Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.714e-10 + Electrical balance (eq) = -1.122e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -153218,33 +152419,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.182e-11 - CH4 3.182e-11 3.460e-11 -10.497 -10.461 0.036 35.46 +C(-4) 3.281e-11 + CH4 3.281e-11 3.567e-11 -10.484 -10.448 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.950e-11 - H2 9.748e-12 1.060e-11 -11.011 -10.975 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.964e-11 + H2 9.822e-12 1.068e-11 -11.008 -10.971 0.036 28.61 Hto 4.979e-13 Hto 4.979e-13 4.979e-13 -12.303 -12.303 0.000 (0) I 1.708e-13 @@ -153258,22 +152459,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.856e-15 - Nat+ 4.856e-15 4.856e-15 -14.314 -14.314 -0.000 (0) +Nat 4.855e-15 + Nat+ 4.855e-15 4.855e-15 -14.314 -14.314 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.476 -70.439 0.036 30.40 -S(-2) 4.986e-08 - HS- 3.487e-08 2.296e-08 -7.458 -7.639 -0.182 21.14 - H2S 1.499e-08 1.629e-08 -7.824 -7.788 0.036 36.27 - S-2 1.417e-13 3.415e-14 -12.849 -13.467 -0.618 (0) - (H2S)2 1.287e-17 1.399e-17 -16.890 -16.854 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.482 -70.446 0.036 30.40 +S(-2) 5.140e-08 + HS- 3.595e-08 2.367e-08 -7.444 -7.626 -0.182 21.14 + H2S 1.545e-08 1.680e-08 -7.811 -7.775 0.036 36.27 + S-2 1.461e-13 3.521e-14 -12.835 -13.453 -0.618 (0) + (H2S)2 1.368e-17 1.487e-17 -16.864 -16.828 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -153282,8 +152482,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -153300,21 +152500,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.73 -7.94 H2S + H2S(g) -6.78 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -153338,7 +152538,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.549e-11 Surface + diffuse layer charge, eq + -9.577e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -153348,7 +152548,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -153357,14 +152557,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6608e-10 - H 1.2949e-04 - Hto 6.5499e-15 - I 1.9138e-27 + Cl 4.6606e-10 + H 1.2950e-04 + Hto 6.5488e-15 + I 1.9134e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9035e-16 + Nat 1.9030e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -153383,30 +152583,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.551e-14 6.539e-15 + Hto 5.550e-14 6.538e-15 I 1.624e-14 1.914e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.239e-16 3.816e-17 + Nat 3.238e-16 3.815e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.180 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.201e-10 + Electrical balance (eq) = 3.697e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -153420,17 +152620,17 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.203e-11 - CH4 3.203e-11 3.483e-11 -10.494 -10.458 0.036 35.46 +C(-4) 3.302e-11 + CH4 3.302e-11 3.590e-11 -10.481 -10.445 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 @@ -153439,16 +152639,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.953e-11 - H2 9.764e-12 1.062e-11 -11.010 -10.974 0.036 28.61 -Hto 5.551e-14 - Hto 5.551e-14 5.551e-14 -13.256 -13.256 0.000 (0) + HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) +H(0) 1.968e-11 + H2 9.838e-12 1.070e-11 -11.007 -10.971 0.036 28.61 +Hto 5.550e-14 + Hto 5.550e-14 5.550e-14 -13.256 -13.256 0.000 (0) I 1.624e-14 I- 1.624e-14 1.624e-14 -13.789 -13.789 -0.000 (0) K 1.540e-03 @@ -153460,22 +152660,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.239e-16 - Nat+ 3.239e-16 3.239e-16 -15.490 -15.490 -0.000 (0) +Nat 3.238e-16 + Nat+ 3.238e-16 3.238e-16 -15.490 -15.490 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.477 -70.441 0.036 30.40 -S(-2) 5.019e-08 - HS- 3.510e-08 2.311e-08 -7.455 -7.636 -0.182 21.14 - H2S 1.509e-08 1.640e-08 -7.821 -7.785 0.036 36.27 - S-2 1.426e-13 3.438e-14 -12.846 -13.464 -0.618 (0) - (H2S)2 1.304e-17 1.418e-17 -16.885 -16.848 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.484 -70.447 0.036 30.40 +S(-2) 5.173e-08 + HS- 3.618e-08 2.382e-08 -7.441 -7.623 -0.182 21.14 + H2S 1.555e-08 1.691e-08 -7.808 -7.772 0.036 36.27 + S-2 1.470e-13 3.544e-14 -12.833 -13.450 -0.618 (0) + (H2S)2 1.385e-17 1.506e-17 -16.858 -16.822 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -153484,8 +152683,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.308e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -153502,21 +152701,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.73 -7.94 H2S + H2S(g) -6.78 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.55 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -153540,7 +152739,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.558e-11 Surface + diffuse layer charge, eq + -9.587e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -153550,7 +152749,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -153559,14 +152758,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6607e-10 - H 1.2949e-04 - Hto 6.4740e-16 - I 1.6110e-28 + Cl 4.6605e-10 + H 1.2950e-04 + Hto 6.4729e-16 + I 1.6112e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1210e-17 + Nat 1.1207e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -153585,30 +152784,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.486e-15 6.464e-16 + Hto 5.486e-15 6.462e-16 I 1.367e-15 1.611e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.908e-17 2.247e-18 + Nat 1.907e-17 2.247e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.652e-10 + Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -153622,18 +152821,18 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.236e-11 - CH4 3.236e-11 3.519e-11 -10.490 -10.454 0.036 35.46 +C(-4) 3.335e-11 + CH4 3.335e-11 3.626e-11 -10.477 -10.441 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 @@ -153641,14 +152840,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.958e-11 - H2 9.789e-12 1.064e-11 -11.009 -10.973 0.036 28.61 +H(0) 1.973e-11 + H2 9.863e-12 1.072e-11 -11.006 -10.970 0.036 28.61 Hto 5.486e-15 Hto 5.486e-15 5.486e-15 -14.261 -14.261 0.000 (0) I 1.367e-15 @@ -153662,22 +152861,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.908e-17 - Nat+ 1.908e-17 1.908e-17 -16.720 -16.720 -0.000 (0) +Nat 1.907e-17 + Nat+ 1.907e-17 1.907e-17 -16.720 -16.720 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.479 -70.443 0.036 30.40 -S(-2) 5.071e-08 - HS- 3.547e-08 2.335e-08 -7.450 -7.632 -0.182 21.14 - H2S 1.524e-08 1.657e-08 -7.817 -7.781 0.036 36.27 - S-2 1.441e-13 3.474e-14 -12.841 -13.459 -0.618 (0) - (H2S)2 1.331e-17 1.447e-17 -16.876 -16.839 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.486 -70.449 0.036 30.40 +S(-2) 5.226e-08 + HS- 3.655e-08 2.406e-08 -7.437 -7.619 -0.182 21.14 + H2S 1.571e-08 1.708e-08 -7.804 -7.768 0.036 36.27 + S-2 1.485e-13 3.580e-14 -12.828 -13.446 -0.618 (0) + (H2S)2 1.413e-17 1.537e-17 -16.850 -16.813 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -153686,8 +152884,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -153704,21 +152902,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.72 -7.94 H2S + H2S(g) -6.77 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -153742,7 +152940,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.566e-11 Surface + diffuse layer charge, eq + -9.594e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -153752,7 +152950,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -153761,14 +152959,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6607e-10 - H 1.2949e-04 - Hto 5.6911e-17 - I 1.2050e-29 + Cl 4.6605e-10 + H 1.2950e-04 + Hto 5.6900e-17 + I 1.2052e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.8517e-19 + Nat 5.8497e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -153787,30 +152985,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.823e-16 5.682e-17 + Hto 4.822e-16 5.681e-17 I 1.023e-16 1.205e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.957e-19 1.173e-19 + Nat 9.954e-19 1.173e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.667e-10 + Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -153824,71 +153022,70 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.260e-11 - CH4 3.260e-11 3.544e-11 -10.487 -10.451 0.036 35.46 +C(-4) 3.358e-11 + CH4 3.358e-11 3.651e-11 -10.474 -10.438 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.961e-11 - H2 9.806e-12 1.066e-11 -11.008 -10.972 0.036 28.61 -Hto 4.823e-16 - Hto 4.823e-16 4.823e-16 -15.317 -15.317 0.000 (0) +H(0) 1.976e-11 + H2 9.880e-12 1.074e-11 -11.005 -10.969 0.036 28.61 +Hto 4.822e-16 + Hto 4.822e-16 4.822e-16 -15.317 -15.317 0.000 (0) I 1.023e-16 I- 1.023e-16 1.023e-16 -15.990 -15.990 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.957e-19 - Nat+ 9.957e-19 9.957e-19 -18.002 -18.002 -0.000 (0) +Nat 9.954e-19 + Nat+ 9.954e-19 9.954e-19 -18.002 -18.002 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.481 -70.444 0.036 30.40 -S(-2) 5.107e-08 - HS- 3.572e-08 2.352e-08 -7.447 -7.629 -0.182 21.14 - H2S 1.535e-08 1.669e-08 -7.814 -7.778 0.036 36.27 - S-2 1.451e-13 3.499e-14 -12.838 -13.456 -0.618 (0) - (H2S)2 1.350e-17 1.468e-17 -16.870 -16.833 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.487 -70.451 0.036 30.40 +S(-2) 5.262e-08 + HS- 3.680e-08 2.423e-08 -7.434 -7.616 -0.182 21.14 + H2S 1.582e-08 1.720e-08 -7.801 -7.765 0.036 36.27 + S-2 1.495e-13 3.605e-14 -12.825 -13.443 -0.618 (0) + (H2S)2 1.433e-17 1.558e-17 -16.844 -16.807 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -153906,21 +153103,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.44 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.04 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -153944,7 +153141,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.569e-11 Surface + diffuse layer charge, eq + -9.597e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -153954,7 +153151,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -153963,14 +153160,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 - Hto 4.4591e-18 + Hto 4.4582e-18 I 8.0244e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.7150e-20 + Nat 2.7140e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -153989,30 +153186,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.779e-17 4.452e-18 + Hto 3.778e-17 4.451e-18 I 6.812e-18 8.025e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.620e-20 5.443e-21 + Nat 4.618e-20 5.441e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.672e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -154026,71 +153223,70 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.269e-11 - CH4 3.269e-11 3.554e-11 -10.486 -10.449 0.036 35.46 +C(-4) 3.368e-11 + CH4 3.368e-11 3.661e-11 -10.473 -10.436 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.963e-11 - H2 9.814e-12 1.067e-11 -11.008 -10.972 0.036 28.61 -Hto 3.779e-17 - Hto 3.779e-17 3.779e-17 -16.423 -16.423 0.000 (0) +H(0) 1.977e-11 + H2 9.887e-12 1.075e-11 -11.005 -10.969 0.036 28.61 +Hto 3.778e-17 + Hto 3.778e-17 3.778e-17 -16.423 -16.423 0.000 (0) I 6.812e-18 I- 6.812e-18 6.812e-18 -17.167 -17.167 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.620e-20 - Nat+ 4.620e-20 4.620e-20 -19.335 -19.335 -0.000 (0) +Nat 4.618e-20 + Nat+ 4.618e-20 4.618e-20 -19.336 -19.336 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.481 -70.445 0.036 30.40 -S(-2) 5.122e-08 - HS- 3.582e-08 2.358e-08 -7.446 -7.627 -0.182 21.14 - H2S 1.540e-08 1.674e-08 -7.813 -7.776 0.036 36.27 - S-2 1.456e-13 3.509e-14 -12.837 -13.455 -0.618 (0) - (H2S)2 1.358e-17 1.476e-17 -16.867 -16.831 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 +S(-2) 5.276e-08 + HS- 3.690e-08 2.429e-08 -7.433 -7.614 -0.182 21.14 + H2S 1.586e-08 1.724e-08 -7.800 -7.763 0.036 36.27 + S-2 1.500e-13 3.615e-14 -12.824 -13.442 -0.618 (0) + (H2S)2 1.441e-17 1.567e-17 -16.841 -16.805 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -154108,21 +153304,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -154146,7 +153342,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.570e-11 Surface + diffuse layer charge, eq + -9.598e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -154156,7 +153352,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -154165,14 +153361,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 - Hto 3.1187e-19 - I 4.7679e-32 + Hto 3.1180e-19 + I 4.7685e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1217e-21 + Nat 1.1213e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -154191,30 +153387,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.643e-18 3.114e-19 + Hto 2.642e-18 3.113e-19 I 4.047e-19 4.767e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.909e-21 2.249e-22 + Nat 1.908e-21 2.248e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.673e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -154228,8 +153424,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.271e-11 - CH4 3.271e-11 3.557e-11 -10.485 -10.449 0.036 35.46 +C(-4) 3.370e-11 + CH4 3.370e-11 3.664e-11 -10.472 -10.436 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -154239,8 +153435,8 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 @@ -154248,51 +153444,50 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.963e-11 - H2 9.815e-12 1.067e-11 -11.008 -10.972 0.036 28.61 -Hto 2.643e-18 - Hto 2.643e-18 2.643e-18 -17.578 -17.578 0.000 (0) +H(0) 1.978e-11 + H2 9.889e-12 1.075e-11 -11.005 -10.969 0.036 28.61 +Hto 2.642e-18 + Hto 2.642e-18 2.642e-18 -17.578 -17.578 0.000 (0) I 4.047e-19 I- 4.047e-19 4.047e-19 -18.393 -18.393 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.909e-21 - Nat+ 1.909e-21 1.909e-21 -20.719 -20.719 -0.000 (0) +Nat 1.908e-21 + Nat+ 1.908e-21 1.908e-21 -20.719 -20.719 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.445 0.036 30.40 -S(-2) 5.126e-08 - HS- 3.585e-08 2.360e-08 -7.446 -7.627 -0.182 21.14 - H2S 1.541e-08 1.675e-08 -7.812 -7.776 0.036 36.27 - S-2 1.457e-13 3.511e-14 -12.837 -13.455 -0.618 (0) - (H2S)2 1.360e-17 1.479e-17 -16.866 -16.830 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 +S(-2) 5.280e-08 + HS- 3.693e-08 2.431e-08 -7.433 -7.614 -0.182 21.14 + H2S 1.587e-08 1.726e-08 -7.799 -7.763 0.036 36.27 + S-2 1.501e-13 3.617e-14 -12.824 -13.442 -0.618 (0) + (H2S)2 1.443e-17 1.569e-17 -16.841 -16.804 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -154310,21 +153505,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -154348,7 +153543,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.570e-11 Surface + diffuse layer charge, eq + -9.598e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -154358,7 +153553,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -154367,14 +153562,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 - Hto 1.9485e-20 + Hto 1.9481e-20 I 2.5285e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.1167e-23 + Nat 4.1149e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -154398,25 +153593,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.005e-23 8.253e-24 + Nat 7.002e-23 8.249e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.670e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -154430,8 +153625,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.272e-11 - CH4 3.272e-11 3.557e-11 -10.485 -10.449 0.036 35.46 +C(-4) 3.371e-11 + CH4 3.371e-11 3.665e-11 -10.472 -10.436 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -154441,8 +153636,8 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 @@ -154450,13 +153645,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.963e-11 - H2 9.816e-12 1.067e-11 -11.008 -10.972 0.036 28.61 +H(0) 1.978e-11 + H2 9.889e-12 1.075e-11 -11.005 -10.969 0.036 28.61 Hto 1.651e-19 Hto 1.651e-19 1.651e-19 -18.782 -18.782 0.000 (0) I 2.146e-20 @@ -154464,37 +153659,36 @@ I 2.146e-20 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 7.005e-23 - Nat+ 7.005e-23 7.005e-23 -22.155 -22.155 -0.000 (0) +Nat 7.002e-23 + Nat+ 7.002e-23 7.002e-23 -22.155 -22.155 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.445 0.036 30.40 -S(-2) 5.127e-08 - HS- 3.586e-08 2.360e-08 -7.445 -7.627 -0.182 21.14 - H2S 1.541e-08 1.675e-08 -7.812 -7.776 0.036 36.27 - S-2 1.457e-13 3.512e-14 -12.837 -13.454 -0.618 (0) - (H2S)2 1.360e-17 1.479e-17 -16.866 -16.830 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 +S(-2) 5.281e-08 + HS- 3.694e-08 2.432e-08 -7.433 -7.614 -0.182 21.14 + H2S 1.587e-08 1.726e-08 -7.799 -7.763 0.036 36.27 + S-2 1.501e-13 3.618e-14 -12.824 -13.442 -0.618 (0) + (H2S)2 1.444e-17 1.570e-17 -16.841 -16.804 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -154512,21 +153706,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -154550,7 +153744,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.569e-11 Surface + diffuse layer charge, eq + -9.597e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -154560,7 +153754,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -154569,14 +153763,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 - Hto 1.0876e-21 + Hto 1.0873e-21 I 1.1969e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2324e-24 + Nat 1.2319e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -154595,30 +153789,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.217e-21 1.086e-21 + Hto 9.214e-21 1.086e-21 I 1.016e-21 1.197e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.097e-24 2.471e-25 + Nat 2.096e-24 2.470e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.671e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -154632,8 +153826,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.272e-11 - CH4 3.272e-11 3.557e-11 -10.485 -10.449 0.036 35.46 +C(-4) 3.371e-11 + CH4 3.371e-11 3.665e-11 -10.472 -10.436 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -154643,8 +153837,8 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 @@ -154652,51 +153846,50 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.963e-11 - H2 9.816e-12 1.067e-11 -11.008 -10.972 0.036 28.61 -Hto 9.217e-21 - Hto 9.217e-21 9.217e-21 -20.035 -20.035 0.000 (0) +H(0) 1.978e-11 + H2 9.889e-12 1.075e-11 -11.005 -10.969 0.036 28.61 +Hto 9.214e-21 + Hto 9.214e-21 9.214e-21 -20.036 -20.036 0.000 (0) I 1.016e-21 I- 1.016e-21 1.016e-21 -20.993 -20.993 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.097e-24 - Nat+ 2.097e-24 2.097e-24 -23.678 -23.678 -0.000 (0) +Nat 2.096e-24 + Nat+ 2.096e-24 2.096e-24 -23.679 -23.679 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.445 0.036 30.40 -S(-2) 5.127e-08 - HS- 3.586e-08 2.360e-08 -7.445 -7.627 -0.182 21.14 - H2S 1.541e-08 1.675e-08 -7.812 -7.776 0.036 36.27 - S-2 1.457e-13 3.512e-14 -12.837 -13.454 -0.618 (0) - (H2S)2 1.361e-17 1.479e-17 -16.866 -16.830 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 +S(-2) 5.281e-08 + HS- 3.694e-08 2.432e-08 -7.433 -7.614 -0.182 21.14 + H2S 1.587e-08 1.726e-08 -7.799 -7.763 0.036 36.27 + S-2 1.501e-13 3.618e-14 -12.824 -13.442 -0.618 (0) + (H2S)2 1.444e-17 1.570e-17 -16.841 -16.804 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -154714,21 +153907,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -154752,7 +153945,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.570e-11 Surface + diffuse layer charge, eq + -9.597e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -154762,7 +153955,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -154771,10 +153964,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 - Hto 5.4134e-23 - I 4.9885e-36 + Hto 5.4118e-23 + I 4.9892e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -154796,7 +153989,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.588e-22 5.405e-23 + Hto 4.586e-22 5.403e-23 I 4.234e-23 4.988e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -154807,18 +154000,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.671e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -154832,8 +154025,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.272e-11 - CH4 3.272e-11 3.557e-11 -10.485 -10.449 0.036 35.46 +C(-4) 3.371e-11 + CH4 3.371e-11 3.665e-11 -10.472 -10.436 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -154843,8 +154036,8 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 @@ -154852,49 +154045,48 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.963e-11 - H2 9.816e-12 1.067e-11 -11.008 -10.972 0.036 28.61 -Hto 4.588e-22 - Hto 4.588e-22 4.588e-22 -21.338 -21.338 0.000 (0) +H(0) 1.978e-11 + H2 9.889e-12 1.075e-11 -11.005 -10.969 0.036 28.61 +Hto 4.586e-22 + Hto 4.586e-22 4.586e-22 -21.339 -21.339 0.000 (0) I 4.234e-23 I- 4.234e-23 4.234e-23 -22.373 -22.373 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.445 0.036 30.40 -S(-2) 5.127e-08 - HS- 3.586e-08 2.361e-08 -7.445 -7.627 -0.182 21.14 - H2S 1.541e-08 1.675e-08 -7.812 -7.776 0.036 36.27 - S-2 1.457e-13 3.512e-14 -12.837 -13.454 -0.618 (0) - (H2S)2 1.361e-17 1.479e-17 -16.866 -16.830 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 +S(-2) 5.281e-08 + HS- 3.694e-08 2.432e-08 -7.433 -7.614 -0.182 21.14 + H2S 1.587e-08 1.726e-08 -7.799 -7.763 0.036 36.27 + S-2 1.501e-13 3.618e-14 -12.824 -13.442 -0.618 (0) + (H2S)2 1.444e-17 1.570e-17 -16.841 -16.804 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -154912,21 +154104,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -154950,7 +154142,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.569e-11 Surface + diffuse layer charge, eq + -9.598e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -154960,7 +154152,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -154969,9 +154161,9 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 - Hto 2.4227e-24 + Hto 2.4219e-24 I 1.0894e-37 K 8.9156e-04 Mg 4.6365e-02 @@ -154994,7 +154186,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.053e-23 2.419e-24 + Hto 2.052e-23 2.418e-24 I 9.247e-25 1.089e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -155005,18 +154197,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.674e-10 + Electrical balance (eq) = -1.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -155030,8 +154222,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.272e-11 - CH4 3.272e-11 3.557e-11 -10.485 -10.449 0.036 35.46 +C(-4) 3.371e-11 + CH4 3.371e-11 3.665e-11 -10.472 -10.436 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -155041,8 +154233,8 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 @@ -155050,49 +154242,48 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.963e-11 - H2 9.816e-12 1.067e-11 -11.008 -10.972 0.036 28.61 -Hto 2.053e-23 - Hto 2.053e-23 2.053e-23 -22.688 -22.688 0.000 (0) +H(0) 1.978e-11 + H2 9.889e-12 1.075e-11 -11.005 -10.969 0.036 28.61 +Hto 2.052e-23 + Hto 2.052e-23 2.052e-23 -22.688 -22.688 0.000 (0) I 9.247e-25 I- 9.247e-25 9.247e-25 -24.034 -24.034 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.445 0.036 30.40 -S(-2) 5.127e-08 - HS- 3.586e-08 2.361e-08 -7.445 -7.627 -0.182 21.14 - H2S 1.541e-08 1.675e-08 -7.812 -7.776 0.036 36.27 - S-2 1.457e-13 3.512e-14 -12.837 -13.454 -0.618 (0) - (H2S)2 1.361e-17 1.479e-17 -16.866 -16.830 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 +S(-2) 5.281e-08 + HS- 3.694e-08 2.432e-08 -7.433 -7.614 -0.182 21.14 + H2S 1.587e-08 1.726e-08 -7.799 -7.763 0.036 36.27 + S-2 1.501e-13 3.618e-14 -12.824 -13.442 -0.618 (0) + (H2S)2 1.444e-17 1.570e-17 -16.841 -16.804 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -155110,21 +154301,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -155154,18 +154345,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -155179,8 +154370,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -155204,8 +154395,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -155225,16 +154416,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -155261,21 +154451,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -155303,18 +154493,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -155328,8 +154518,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -155353,8 +154543,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -155374,16 +154564,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -155410,21 +154599,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -155461,18 +154650,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.029 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.027 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.006e-12 + Electrical balance (eq) = -9.636e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -155486,8 +154675,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.064e-12 - CH4 2.064e-12 2.244e-12 -11.685 -11.649 0.036 35.46 +C(-4) 1.980e-12 + CH4 1.980e-12 2.152e-12 -11.703 -11.667 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -155511,8 +154700,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.836e-12 - H2 4.918e-12 5.347e-12 -11.308 -11.272 0.036 28.61 +H(0) 9.734e-12 + H2 4.867e-12 5.292e-12 -11.313 -11.276 0.036 28.61 Hto 5.483e-07 Hto 5.483e-07 5.483e-07 -6.261 -6.261 0.000 (0) I 7.227e-07 @@ -155532,16 +154721,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.123e-07 Nat+ 3.123e-07 3.123e-07 -6.505 -6.505 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.881 -69.845 0.036 30.40 -S(-2) 3.236e-09 - HS- 2.262e-09 1.489e-09 -8.645 -8.827 -0.182 21.14 - H2S 9.734e-10 1.058e-09 -9.012 -8.975 0.036 36.27 - S-2 9.181e-15 2.213e-15 -14.037 -14.655 -0.618 (0) - (H2S)2 5.428e-20 5.902e-20 -19.265 -19.229 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.872 -69.836 0.036 30.40 +S(-2) 3.103e-09 + HS- 2.170e-09 1.428e-09 -8.664 -8.845 -0.182 21.14 + H2S 9.336e-10 1.015e-09 -9.030 -8.994 0.036 36.27 + S-2 8.806e-15 2.123e-15 -14.055 -14.673 -0.618 (0) + (H2S)2 4.994e-20 5.429e-20 -19.302 -19.265 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -155568,21 +154756,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.85 -11.65 -2.80 CH4 + CH4(g) -8.87 -11.67 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.17 -11.27 -3.10 H2 + H2(g) -8.18 -11.28 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.98 -15.92 -7.94 H2S + H2S(g) -8.00 -15.94 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.95 -69.85 -2.89 O2 + O2(g) -66.94 -69.84 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.74 -0.85 4.88 S + Sulfur -5.75 -0.87 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -155606,7 +154794,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.780e-14 Surface + diffuse layer charge, eq + -4.746e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -155616,7 +154804,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -155663,18 +154851,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.092 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.091 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.948e-09 + Electrical balance (eq) = 1.680e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -155688,8 +154876,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.506e-12 - CH4 6.506e-12 7.074e-12 -11.187 -11.150 0.036 35.46 +C(-4) 6.420e-12 + CH4 6.420e-12 6.980e-12 -11.192 -11.156 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -155713,8 +154901,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.311e-11 - H2 6.553e-12 7.125e-12 -11.184 -11.147 0.036 28.61 +H(0) 1.306e-11 + H2 6.532e-12 7.101e-12 -11.185 -11.149 0.036 28.61 Hto 4.704e-07 Hto 4.704e-07 4.704e-07 -6.328 -6.328 0.000 (0) I 6.229e-07 @@ -155734,16 +154922,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.765e-07 Nat+ 2.765e-07 2.765e-07 -6.558 -6.558 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.131 -70.094 0.036 30.40 -S(-2) 1.020e-08 - HS- 7.131e-09 4.695e-09 -8.147 -8.328 -0.182 21.14 - H2S 3.068e-09 3.336e-09 -8.513 -8.477 0.036 36.27 - S-2 2.895e-14 6.978e-15 -13.538 -14.156 -0.618 (0) - (H2S)2 5.392e-19 5.863e-19 -18.268 -18.232 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.128 -70.091 0.036 30.40 +S(-2) 1.006e-08 + HS- 7.037e-09 4.632e-09 -8.153 -8.334 -0.182 21.14 + H2S 3.027e-09 3.291e-09 -8.519 -8.483 0.036 36.27 + S-2 2.856e-14 6.885e-15 -13.544 -14.162 -0.618 (0) + (H2S)2 5.250e-19 5.708e-19 -18.280 -18.243 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -155770,21 +154957,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.35 -11.15 -2.80 CH4 + CH4(g) -8.35 -11.16 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.05 -11.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.48 -15.42 -7.94 H2S + H2S(g) -7.49 -15.42 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.20 -70.09 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.36 -0.48 4.88 S + Sulfur -5.37 -0.48 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -155808,7 +154995,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.389e-11 Surface + diffuse layer charge, eq + -9.386e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -155818,7 +155005,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -155834,7 +155021,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.3543e-08 + Nat 8.3542e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -155866,18 +155053,18 @@ Su pH = 7.090 Charge balance pe = -3.162 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.125e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.325e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -155890,33 +155077,33 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.121e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.373e-11 - CH4 2.373e-11 2.581e-11 -10.625 -10.588 0.036 35.46 +C(-4) 2.372e-11 + CH4 2.372e-11 2.579e-11 -10.625 -10.589 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.602e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.015e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) -H(0) 1.812e-11 - H2 9.058e-12 9.848e-12 -11.043 -11.007 0.036 28.61 +H(0) 1.811e-11 + H2 9.057e-12 9.847e-12 -11.043 -11.007 0.036 28.61 Hto 2.803e-07 Hto 2.803e-07 2.803e-07 -6.552 -6.552 0.000 (0) I 3.402e-07 @@ -155936,16 +155123,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.422e-07 Nat+ 1.422e-07 1.422e-07 -6.847 -6.847 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.412 -70.376 0.036 30.40 -S(-2) 3.719e-08 - HS- 2.601e-08 1.712e-08 -7.585 -7.766 -0.182 21.14 - H2S 1.118e-08 1.216e-08 -7.951 -7.915 0.036 36.27 - S-2 1.057e-13 2.547e-14 -12.976 -13.594 -0.618 (0) - (H2S)2 7.164e-18 7.789e-18 -17.145 -17.109 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.412 -70.375 0.036 30.40 +S(-2) 3.717e-08 + HS- 2.600e-08 1.711e-08 -7.585 -7.767 -0.182 21.14 + H2S 1.118e-08 1.215e-08 -7.952 -7.915 0.036 36.27 + S-2 1.056e-13 2.545e-14 -12.976 -13.594 -0.618 (0) + (H2S)2 7.157e-18 7.781e-18 -17.145 -17.109 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -155960,7 +155146,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.535e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.084e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -156010,7 +155196,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.614e-11 Surface + diffuse layer charge, eq + -9.616e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -156020,7 +155206,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -156036,7 +155222,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0161e-08 + Nat 3.0160e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -156068,17 +155254,17 @@ Su pH = 7.091 Charge balance pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.634e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -156090,10 +155276,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.038e-11 - CH4 3.038e-11 3.303e-11 -10.517 -10.481 0.036 35.46 +C(-4) 3.068e-11 + CH4 3.068e-11 3.336e-11 -10.513 -10.477 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -156117,8 +155303,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.927e-11 - H2 9.635e-12 1.048e-11 -11.016 -10.980 0.036 28.61 +H(0) 1.932e-11 + H2 9.659e-12 1.050e-11 -11.015 -10.979 0.036 28.61 Hto 1.334e-07 Hto 1.334e-07 1.334e-07 -6.875 -6.875 0.000 (0) I 1.458e-07 @@ -156138,16 +155324,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 5.132e-08 Nat+ 5.132e-08 5.132e-08 -7.290 -7.290 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.465 -70.429 0.036 30.40 -S(-2) 4.760e-08 - HS- 3.329e-08 2.192e-08 -7.478 -7.659 -0.182 21.14 - H2S 1.431e-08 1.556e-08 -7.844 -7.808 0.036 36.27 - S-2 1.353e-13 3.261e-14 -12.869 -13.487 -0.618 (0) - (H2S)2 1.173e-17 1.275e-17 -16.931 -16.894 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.468 -70.431 0.036 30.40 +S(-2) 4.808e-08 + HS- 3.362e-08 2.213e-08 -7.473 -7.655 -0.182 21.14 + H2S 1.445e-08 1.571e-08 -7.840 -7.804 0.036 36.27 + S-2 1.366e-13 3.293e-14 -12.865 -13.482 -0.618 (0) + (H2S)2 1.196e-17 1.301e-17 -16.922 -16.886 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -156174,7 +155359,7 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.67 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O @@ -156212,7 +155397,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.634e-11 Surface + diffuse layer charge, eq + -9.652e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -156222,7 +155407,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -156231,14 +155416,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 - Hto 6.0879e-09 + Hto 6.0877e-09 I 5.8928e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.1656e-09 + Nat 8.1651e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -156269,18 +155454,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.684e-10 + Electrical balance (eq) = -1.318e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -156294,8 +155479,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.273e-11 - CH4 3.273e-11 3.558e-11 -10.485 -10.449 0.036 35.46 +C(-4) 3.338e-11 + CH4 3.338e-11 3.629e-11 -10.477 -10.440 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -156305,7 +155490,7 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 @@ -156319,8 +155504,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.963e-11 - H2 9.816e-12 1.067e-11 -11.008 -10.972 0.036 28.61 +H(0) 1.973e-11 + H2 9.865e-12 1.073e-11 -11.006 -10.970 0.036 28.61 Hto 5.159e-08 Hto 5.159e-08 5.159e-08 -7.287 -7.287 0.000 (0) I 5.002e-08 @@ -156340,16 +155525,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.389e-08 Nat+ 1.389e-08 1.389e-08 -7.857 -7.857 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.445 0.036 30.40 -S(-2) 5.128e-08 - HS- 3.586e-08 2.361e-08 -7.445 -7.627 -0.182 21.14 - H2S 1.541e-08 1.676e-08 -7.812 -7.776 0.036 36.27 - S-2 1.457e-13 3.513e-14 -12.836 -13.454 -0.618 (0) - (H2S)2 1.361e-17 1.480e-17 -16.866 -16.830 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.486 -70.450 0.036 30.40 +S(-2) 5.230e-08 + HS- 3.658e-08 2.408e-08 -7.437 -7.618 -0.182 21.14 + H2S 1.572e-08 1.709e-08 -7.804 -7.767 0.036 36.27 + S-2 1.486e-13 3.583e-14 -12.828 -13.446 -0.618 (0) + (H2S)2 1.416e-17 1.539e-17 -16.849 -16.813 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -156358,7 +155542,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -156376,21 +155560,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -156414,7 +155598,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.618e-11 Surface + diffuse layer charge, eq + -9.645e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -156424,7 +155608,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -156433,14 +155617,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 1.9445e-09 - I 1.6519e-21 + Hto 1.9444e-09 + I 1.6521e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7366e-09 + Nat 1.7364e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -156471,18 +155655,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.655e-10 + Electrical balance (eq) = -1.316e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -156494,35 +155678,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.343e-11 - CH4 3.343e-11 3.635e-11 -10.476 -10.440 0.036 35.46 +C(-4) 3.430e-11 + CH4 3.430e-11 3.729e-11 -10.465 -10.428 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.974e-11 - H2 9.869e-12 1.073e-11 -11.006 -10.969 0.036 28.61 +H(0) 1.986e-11 + H2 9.932e-12 1.080e-11 -11.003 -10.967 0.036 28.61 Hto 1.648e-08 Hto 1.648e-08 1.648e-08 -7.783 -7.783 0.000 (0) I 1.402e-08 @@ -156542,16 +155726,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 2.955e-09 Nat+ 2.955e-09 2.955e-09 -8.529 -8.529 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.486 -70.450 0.036 30.40 -S(-2) 5.238e-08 - HS- 3.664e-08 2.412e-08 -7.436 -7.618 -0.182 21.14 - H2S 1.574e-08 1.712e-08 -7.803 -7.767 0.036 36.27 - S-2 1.489e-13 3.588e-14 -12.827 -13.445 -0.618 (0) - (H2S)2 1.420e-17 1.544e-17 -16.848 -16.811 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.492 -70.456 0.036 30.40 +S(-2) 5.374e-08 + HS- 3.758e-08 2.474e-08 -7.425 -7.607 -0.182 21.14 + H2S 1.615e-08 1.756e-08 -7.792 -7.755 0.036 36.27 + S-2 1.527e-13 3.681e-14 -12.816 -13.434 -0.618 (0) + (H2S)2 1.495e-17 1.625e-17 -16.825 -16.789 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -156566,7 +155749,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -156578,21 +155761,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.44 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.71 -7.94 H2S + H2S(g) -6.76 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.56 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -156616,7 +155799,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.605e-11 Surface + diffuse layer charge, eq + -9.633e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -156626,7 +155809,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -156635,14 +155818,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 5.2120e-10 - I 3.8552e-22 + Hto 5.2117e-10 + I 3.8547e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9980e-10 + Nat 2.9976e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -156661,30 +155844,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.417e-09 5.204e-10 + Hto 4.417e-09 5.203e-10 I 3.272e-09 3.855e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.101e-10 6.010e-11 + Nat 5.101e-10 6.009e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.634e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -156696,35 +155879,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.353e-11 - CH4 3.353e-11 3.646e-11 -10.475 -10.438 0.036 35.46 +C(-4) 3.449e-11 + CH4 3.449e-11 3.750e-11 -10.462 -10.426 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.975e-11 - H2 9.876e-12 1.074e-11 -11.005 -10.969 0.036 28.61 + HCl 3.949e-09 5.638e-09 -8.404 -8.249 0.155 (0) +H(0) 1.989e-11 + H2 9.946e-12 1.081e-11 -11.002 -10.966 0.036 28.61 Hto 4.417e-09 Hto 4.417e-09 4.417e-09 -8.355 -8.355 0.000 (0) I 3.272e-09 @@ -156744,16 +155927,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 5.101e-10 Nat+ 5.101e-10 5.101e-10 -9.292 -9.292 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.487 -70.451 0.036 30.40 -S(-2) 5.254e-08 - HS- 3.675e-08 2.419e-08 -7.435 -7.616 -0.182 21.14 - H2S 1.579e-08 1.717e-08 -7.802 -7.765 0.036 36.27 - S-2 1.493e-13 3.600e-14 -12.826 -13.444 -0.618 (0) - (H2S)2 1.429e-17 1.554e-17 -16.845 -16.809 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.493 -70.457 0.036 30.40 +S(-2) 5.404e-08 + HS- 3.779e-08 2.488e-08 -7.423 -7.604 -0.182 21.14 + H2S 1.624e-08 1.766e-08 -7.789 -7.753 0.036 36.27 + S-2 1.536e-13 3.702e-14 -12.814 -13.432 -0.618 (0) + (H2S)2 1.511e-17 1.643e-17 -16.821 -16.784 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -156768,7 +155950,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -156780,21 +155962,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.71 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.56 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -156818,7 +156000,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.595e-11 Surface + diffuse layer charge, eq + -9.623e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -156828,7 +156010,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -156837,14 +156019,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 1.1884e-10 - I 7.6075e-23 + Hto 1.1883e-10 + I 7.6062e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3032e-11 + Nat 4.3026e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -156868,25 +156050,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.322e-11 8.626e-12 + Nat 7.321e-11 8.625e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.623e-10 + Electrical balance (eq) = -1.313e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -156898,35 +156080,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.337e-11 - CH4 3.337e-11 3.628e-11 -10.477 -10.440 0.036 35.46 +C(-4) 3.435e-11 + CH4 3.435e-11 3.735e-11 -10.464 -10.428 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.973e-11 - H2 9.864e-12 1.072e-11 -11.006 -10.970 0.036 28.61 +H(0) 1.987e-11 + H2 9.936e-12 1.080e-11 -11.003 -10.966 0.036 28.61 Hto 1.007e-09 Hto 1.007e-09 1.007e-09 -8.997 -8.997 0.000 (0) I 6.457e-10 @@ -156934,7 +156116,7 @@ I 6.457e-10 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -156946,16 +156128,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 7.322e-11 - Nat+ 7.322e-11 7.322e-11 -10.135 -10.135 -0.000 (0) +Nat 7.321e-11 + Nat+ 7.321e-11 7.321e-11 -10.135 -10.135 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.486 -70.450 0.036 30.40 -S(-2) 5.229e-08 - HS- 3.657e-08 2.408e-08 -7.437 -7.618 -0.182 21.14 - H2S 1.572e-08 1.709e-08 -7.804 -7.767 0.036 36.27 - S-2 1.486e-13 3.582e-14 -12.828 -13.446 -0.618 (0) - (H2S)2 1.415e-17 1.539e-17 -16.849 -16.813 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.492 -70.456 0.036 30.40 +S(-2) 5.382e-08 + HS- 3.764e-08 2.478e-08 -7.424 -7.606 -0.182 21.14 + H2S 1.618e-08 1.759e-08 -7.791 -7.755 0.036 36.27 + S-2 1.530e-13 3.687e-14 -12.815 -13.433 -0.618 (0) + (H2S)2 1.499e-17 1.630e-17 -16.824 -16.788 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -156970,7 +156151,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -156982,21 +156163,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.44 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.71 -7.94 H2S + H2S(g) -6.76 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.56 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -157020,7 +156201,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.584e-11 Surface + diffuse layer charge, eq + -9.612e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -157030,7 +156211,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -157039,14 +156220,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6604e-10 H 1.2950e-04 - Hto 2.3310e-11 + Hto 2.3308e-11 I 1.2858e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.2280e-12 + Nat 5.2272e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -157070,25 +156251,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.896e-12 1.048e-12 + Nat 8.895e-12 1.048e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.462e-10 + Electrical balance (eq) = -7.986e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -157100,10 +156281,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.310e-11 - CH4 3.310e-11 3.598e-11 -10.480 -10.444 0.036 35.46 +C(-4) 3.408e-11 + CH4 3.408e-11 3.706e-11 -10.467 -10.431 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -157113,9 +156294,9 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -157127,8 +156308,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.969e-11 - H2 9.844e-12 1.070e-11 -11.007 -10.971 0.036 28.61 +H(0) 1.983e-11 + H2 9.917e-12 1.078e-11 -11.004 -10.967 0.036 28.61 Hto 1.975e-10 Hto 1.975e-10 1.975e-10 -9.704 -9.704 0.000 (0) I 1.091e-10 @@ -157136,7 +156317,7 @@ I 1.091e-10 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -157148,31 +156329,30 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.896e-12 - Nat+ 8.896e-12 8.896e-12 -11.051 -11.051 -0.000 (0) +Nat 8.895e-12 + Nat+ 8.895e-12 8.895e-12 -11.051 -11.051 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.484 -70.448 0.036 30.40 -S(-2) 5.186e-08 - HS- 3.627e-08 2.388e-08 -7.440 -7.622 -0.182 21.14 - H2S 1.559e-08 1.695e-08 -7.807 -7.771 0.036 36.27 - S-2 1.474e-13 3.553e-14 -12.832 -13.449 -0.618 (0) - (H2S)2 1.392e-17 1.513e-17 -16.856 -16.820 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.490 -70.454 0.036 30.40 +S(-2) 5.340e-08 + HS- 3.735e-08 2.459e-08 -7.428 -7.609 -0.182 21.14 + H2S 1.605e-08 1.745e-08 -7.794 -7.758 0.036 36.27 + S-2 1.518e-13 3.658e-14 -12.819 -13.437 -0.618 (0) + (H2S)2 1.476e-17 1.605e-17 -16.831 -16.795 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -157184,21 +156364,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.44 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.71 -7.94 H2S + H2S(g) -6.76 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -157222,7 +156402,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.575e-11 Surface + diffuse layer charge, eq + -9.603e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -157232,7 +156412,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -157241,14 +156421,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6604e-10 H 1.2950e-04 - Hto 3.9704e-12 - I 1.8809e-24 + Hto 3.9700e-12 + I 1.8805e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.4500e-13 + Nat 5.4490e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -157267,30 +156447,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.365e-11 3.964e-12 + Hto 3.364e-11 3.964e-12 I 1.596e-11 1.880e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.274e-13 1.093e-13 + Nat 9.272e-13 1.092e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.968e-10 + Electrical balance (eq) = -7.473e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -157304,8 +156484,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.288e-11 - CH4 3.288e-11 3.575e-11 -10.483 -10.447 0.036 35.46 +C(-4) 3.387e-11 + CH4 3.387e-11 3.682e-11 -10.470 -10.434 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -157315,9 +156495,9 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -157329,16 +156509,16 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.966e-11 - H2 9.828e-12 1.069e-11 -11.008 -10.971 0.036 28.61 -Hto 3.365e-11 - Hto 3.365e-11 3.365e-11 -10.473 -10.473 0.000 (0) +H(0) 1.980e-11 + H2 9.901e-12 1.076e-11 -11.004 -10.968 0.036 28.61 +Hto 3.364e-11 + Hto 3.364e-11 3.364e-11 -10.473 -10.473 0.000 (0) I 1.596e-11 I- 1.596e-11 1.596e-11 -10.797 -10.797 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -157350,31 +156530,30 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.274e-13 - Nat+ 9.274e-13 9.274e-13 -12.033 -12.033 -0.000 (0) +Nat 9.272e-13 + Nat+ 9.272e-13 9.272e-13 -12.033 -12.033 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.483 -70.446 0.036 30.40 -S(-2) 5.152e-08 - HS- 3.604e-08 2.372e-08 -7.443 -7.625 -0.182 21.14 - H2S 1.549e-08 1.684e-08 -7.810 -7.774 0.036 36.27 - S-2 1.464e-13 3.530e-14 -12.834 -13.452 -0.618 (0) - (H2S)2 1.374e-17 1.494e-17 -16.862 -16.826 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.489 -70.453 0.036 30.40 +S(-2) 5.307e-08 + HS- 3.712e-08 2.443e-08 -7.430 -7.612 -0.182 21.14 + H2S 1.595e-08 1.734e-08 -7.797 -7.761 0.036 36.27 + S-2 1.508e-13 3.636e-14 -12.822 -13.439 -0.618 (0) + (H2S)2 1.458e-17 1.585e-17 -16.836 -16.800 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -157386,21 +156565,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -157424,7 +156603,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.571e-11 Surface + diffuse layer charge, eq + -9.599e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -157434,7 +156613,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -157443,14 +156622,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6604e-10 H 1.2950e-04 - Hto 5.9175e-13 + Hto 5.9168e-13 I 2.4007e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9268e-14 + Nat 4.9258e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -157469,30 +156648,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.015e-12 5.908e-13 + Hto 5.014e-12 5.907e-13 I 2.037e-12 2.400e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.384e-14 9.877e-15 + Nat 8.382e-14 9.874e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.181 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.525e-10 + Electrical balance (eq) = -1.203e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -157506,8 +156685,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.280e-11 - CH4 3.280e-11 3.566e-11 -10.484 -10.448 0.036 35.46 +C(-4) 3.379e-11 + CH4 3.379e-11 3.673e-11 -10.471 -10.435 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -157517,66 +156696,65 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.964e-11 - H2 9.822e-12 1.068e-11 -11.008 -10.971 0.036 28.61 -Hto 5.015e-12 - Hto 5.015e-12 5.015e-12 -11.300 -11.300 0.000 (0) +H(0) 1.979e-11 + H2 9.895e-12 1.076e-11 -11.005 -10.968 0.036 28.61 +Hto 5.014e-12 + Hto 5.014e-12 5.014e-12 -11.300 -11.300 0.000 (0) I 2.037e-12 I- 2.037e-12 2.037e-12 -11.691 -11.691 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.384e-14 - Nat+ 8.384e-14 8.384e-14 -13.077 -13.077 -0.000 (0) +Nat 8.382e-14 + Nat+ 8.382e-14 8.382e-14 -13.077 -13.077 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.446 0.036 30.40 -S(-2) 5.139e-08 - HS- 3.594e-08 2.366e-08 -7.444 -7.626 -0.182 21.14 - H2S 1.545e-08 1.679e-08 -7.811 -7.775 0.036 36.27 - S-2 1.461e-13 3.521e-14 -12.835 -13.453 -0.618 (0) - (H2S)2 1.367e-17 1.486e-17 -16.864 -16.828 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.489 -70.452 0.036 30.40 +S(-2) 5.294e-08 + HS- 3.703e-08 2.437e-08 -7.432 -7.613 -0.182 21.14 + H2S 1.591e-08 1.730e-08 -7.798 -7.762 0.036 36.27 + S-2 1.504e-13 3.627e-14 -12.823 -13.441 -0.618 (0) + (H2S)2 1.450e-17 1.577e-17 -16.838 -16.802 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -157588,21 +156766,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.84 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -157626,7 +156804,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.571e-11 Surface + diffuse layer charge, eq + -9.599e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -157636,7 +156814,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -157645,14 +156823,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6604e-10 H 1.2950e-04 - Hto 7.7655e-14 + Hto 7.7644e-14 I 2.6922e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8946e-15 + Nat 3.8936e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -157671,30 +156849,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.581e-13 7.753e-14 + Hto 6.580e-13 7.752e-14 I 2.285e-13 2.692e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.627e-15 7.807e-16 + Nat 6.625e-15 7.805e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.668e-10 + Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -157708,8 +156886,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.285e-11 - CH4 3.285e-11 3.571e-11 -10.483 -10.447 0.036 35.46 +C(-4) 3.384e-11 + CH4 3.384e-11 3.679e-11 -10.471 -10.434 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -157719,9 +156897,9 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -157733,52 +156911,51 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.965e-11 - H2 9.826e-12 1.068e-11 -11.008 -10.971 0.036 28.61 -Hto 6.581e-13 - Hto 6.581e-13 6.581e-13 -12.182 -12.182 0.000 (0) +H(0) 1.980e-11 + H2 9.899e-12 1.076e-11 -11.004 -10.968 0.036 28.61 +Hto 6.580e-13 + Hto 6.580e-13 6.580e-13 -12.182 -12.182 0.000 (0) I 2.285e-13 I- 2.285e-13 2.285e-13 -12.641 -12.641 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 6.627e-15 - Nat+ 6.627e-15 6.627e-15 -14.179 -14.179 -0.000 (0) +Nat 6.625e-15 + Nat+ 6.625e-15 6.625e-15 -14.179 -14.179 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.482 -70.446 0.036 30.40 -S(-2) 5.147e-08 - HS- 3.600e-08 2.370e-08 -7.444 -7.625 -0.182 21.14 - H2S 1.547e-08 1.682e-08 -7.810 -7.774 0.036 36.27 - S-2 1.463e-13 3.526e-14 -12.835 -13.453 -0.618 (0) - (H2S)2 1.371e-17 1.491e-17 -16.863 -16.827 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.489 -70.453 0.036 30.40 +S(-2) 5.301e-08 + HS- 3.708e-08 2.441e-08 -7.431 -7.612 -0.182 21.14 + H2S 1.593e-08 1.732e-08 -7.798 -7.761 0.036 36.27 + S-2 1.507e-13 3.632e-14 -12.822 -13.440 -0.618 (0) + (H2S)2 1.455e-17 1.582e-17 -16.837 -16.801 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -157790,21 +156967,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.83 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -157828,7 +157005,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.578e-11 Surface + diffuse layer charge, eq + -9.606e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -157838,7 +157015,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -157847,14 +157024,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6604e-10 H 1.2950e-04 - Hto 9.0182e-15 + Hto 9.0168e-15 I 2.6679e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.7096e-16 + Nat 2.7089e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -157873,30 +157050,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.643e-14 9.004e-15 + Hto 7.641e-14 9.002e-15 I 2.264e-14 2.668e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.611e-16 5.432e-17 + Nat 4.609e-16 5.430e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.246e-10 + Electrical balance (eq) = 2.740e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -157910,8 +157087,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.306e-11 - CH4 3.306e-11 3.594e-11 -10.481 -10.444 0.036 35.46 +C(-4) 3.404e-11 + CH4 3.404e-11 3.701e-11 -10.468 -10.432 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -157921,9 +157098,9 @@ C(4) 2.744e-03 CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -157935,16 +157112,16 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.968e-11 - H2 9.841e-12 1.070e-11 -11.007 -10.971 0.036 28.61 -Hto 7.643e-14 - Hto 7.643e-14 7.643e-14 -13.117 -13.117 0.000 (0) +H(0) 1.983e-11 + H2 9.914e-12 1.078e-11 -11.004 -10.967 0.036 28.61 +Hto 7.641e-14 + Hto 7.641e-14 7.641e-14 -13.117 -13.117 0.000 (0) I 2.264e-14 I- 2.264e-14 2.264e-14 -13.645 -13.645 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -157956,31 +157133,30 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.611e-16 - Nat+ 4.611e-16 4.611e-16 -15.336 -15.336 -0.000 (0) +Nat 4.609e-16 + Nat+ 4.609e-16 4.609e-16 -15.336 -15.336 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.484 -70.448 0.036 30.40 -S(-2) 5.180e-08 - HS- 3.623e-08 2.385e-08 -7.441 -7.623 -0.182 21.14 - H2S 1.557e-08 1.693e-08 -7.808 -7.771 0.036 36.27 - S-2 1.472e-13 3.548e-14 -12.832 -13.450 -0.618 (0) - (H2S)2 1.389e-17 1.510e-17 -16.857 -16.821 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.490 -70.454 0.036 30.40 +S(-2) 5.334e-08 + HS- 3.731e-08 2.456e-08 -7.428 -7.610 -0.182 21.14 + H2S 1.603e-08 1.743e-08 -7.795 -7.759 0.036 36.27 + S-2 1.516e-13 3.654e-14 -12.819 -13.437 -0.618 (0) + (H2S)2 1.473e-17 1.601e-17 -16.832 -16.796 0.036 30.09 S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.54 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -157992,21 +157168,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.44 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.71 -7.94 H2S + H2S(g) -6.76 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -158030,7 +157206,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.587e-11 Surface + diffuse layer charge, eq + -9.615e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -158040,7 +157216,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -158049,14 +157225,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 9.3057e-16 - I 2.3459e-28 + Hto 9.3041e-16 + I 2.3454e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6678e-17 + Nat 1.6673e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -158075,30 +157251,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.886e-15 9.291e-16 + Hto 7.885e-15 9.289e-16 I 1.991e-15 2.345e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.838e-17 3.343e-18 + Nat 2.837e-17 3.342e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.608e-10 + Electrical balance (eq) = -1.312e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -158110,43 +157286,43 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.338e-11 - CH4 3.338e-11 3.629e-11 -10.476 -10.440 0.036 35.46 +C(-4) 3.437e-11 + CH4 3.437e-11 3.737e-11 -10.464 -10.428 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.973e-11 - H2 9.865e-12 1.073e-11 -11.006 -10.970 0.036 28.61 -Hto 7.886e-15 - Hto 7.886e-15 7.886e-15 -14.103 -14.103 0.000 (0) +H(0) 1.987e-11 + H2 9.937e-12 1.080e-11 -11.003 -10.966 0.036 28.61 +Hto 7.885e-15 + Hto 7.885e-15 7.885e-15 -14.103 -14.103 0.000 (0) I 1.991e-15 I- 1.991e-15 1.991e-15 -14.701 -14.701 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -158158,16 +157334,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.838e-17 - Nat+ 2.838e-17 2.838e-17 -16.547 -16.547 -0.000 (0) +Nat 2.837e-17 + Nat+ 2.837e-17 2.837e-17 -16.547 -16.547 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.486 -70.450 0.036 30.40 -S(-2) 5.230e-08 - HS- 3.658e-08 2.408e-08 -7.437 -7.618 -0.182 21.14 - H2S 1.572e-08 1.709e-08 -7.804 -7.767 0.036 36.27 - S-2 1.486e-13 3.583e-14 -12.828 -13.446 -0.618 (0) - (H2S)2 1.416e-17 1.540e-17 -16.849 -16.813 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.492 -70.456 0.036 30.40 +S(-2) 5.385e-08 + HS- 3.766e-08 2.479e-08 -7.424 -7.606 -0.182 21.14 + H2S 1.619e-08 1.760e-08 -7.791 -7.755 0.036 36.27 + S-2 1.530e-13 3.689e-14 -12.815 -13.433 -0.618 (0) + (H2S)2 1.501e-17 1.632e-17 -16.824 -16.787 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -158182,7 +157357,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -158194,21 +157369,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.44 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.71 -7.94 H2S + H2S(g) -6.76 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.56 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -158232,7 +157407,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.595e-11 Surface + diffuse layer charge, eq + -9.623e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -158242,7 +157417,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -158251,14 +157426,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 8.5592e-17 - I 1.8363e-29 + Hto 8.5576e-17 + I 1.8366e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1180e-19 + Nat 9.1150e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -158277,30 +157452,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.254e-16 8.545e-17 + Hto 7.252e-16 8.544e-17 I 1.558e-16 1.836e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.552e-18 1.828e-19 + Nat 1.551e-18 1.827e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.624e-10 + Electrical balance (eq) = -1.313e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -158312,37 +157487,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.361e-11 - CH4 3.361e-11 3.654e-11 -10.474 -10.437 0.036 35.46 +C(-4) 3.460e-11 + CH4 3.460e-11 3.762e-11 -10.461 -10.425 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.976e-11 - H2 9.882e-12 1.074e-11 -11.005 -10.969 0.036 28.61 -Hto 7.254e-16 - Hto 7.254e-16 7.254e-16 -15.139 -15.139 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.991e-11 + H2 9.954e-12 1.082e-11 -11.002 -10.966 0.036 28.61 +Hto 7.252e-16 + Hto 7.252e-16 7.252e-16 -15.140 -15.140 0.000 (0) I 1.558e-16 I- 1.558e-16 1.558e-16 -15.807 -15.807 -0.000 (0) K 1.540e-03 @@ -158360,16 +157535,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.552e-18 - Nat+ 1.552e-18 1.552e-18 -17.809 -17.809 -0.000 (0) +Nat 1.551e-18 + Nat+ 1.551e-18 1.551e-18 -17.809 -17.809 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.487 -70.451 0.036 30.40 -S(-2) 5.266e-08 - HS- 3.683e-08 2.425e-08 -7.434 -7.615 -0.182 21.14 - H2S 1.583e-08 1.721e-08 -7.801 -7.764 0.036 36.27 - S-2 1.497e-13 3.608e-14 -12.825 -13.443 -0.618 (0) - (H2S)2 1.435e-17 1.561e-17 -16.843 -16.807 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.494 -70.457 0.036 30.40 +S(-2) 5.421e-08 + HS- 3.791e-08 2.496e-08 -7.421 -7.603 -0.182 21.14 + H2S 1.629e-08 1.771e-08 -7.788 -7.752 0.036 36.27 + S-2 1.541e-13 3.714e-14 -12.812 -13.430 -0.618 (0) + (H2S)2 1.521e-17 1.654e-17 -16.818 -16.782 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -158384,7 +157558,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -158396,21 +157570,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.64 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.71 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.05 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -158434,7 +157608,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.598e-11 Surface + diffuse layer charge, eq + -9.626e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -158444,7 +157618,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -158453,14 +157627,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 7.0341e-18 - I 1.2832e-30 + Hto 7.0326e-18 + I 1.2831e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.4410e-20 + Nat 4.4394e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -158479,30 +157653,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.961e-17 7.023e-18 + Hto 5.960e-17 7.021e-18 I 1.089e-17 1.283e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.557e-20 8.903e-21 + Nat 7.554e-20 8.900e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.629e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -158514,37 +157688,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.371e-11 - CH4 3.371e-11 3.665e-11 -10.472 -10.436 0.036 35.46 +C(-4) 3.469e-11 + CH4 3.469e-11 3.772e-11 -10.460 -10.423 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.978e-11 - H2 9.889e-12 1.075e-11 -11.005 -10.969 0.036 28.61 -Hto 5.961e-17 - Hto 5.961e-17 5.961e-17 -16.225 -16.225 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.992e-11 + H2 9.961e-12 1.083e-11 -11.002 -10.965 0.036 28.61 +Hto 5.960e-17 + Hto 5.960e-17 5.960e-17 -16.225 -16.225 0.000 (0) I 1.089e-17 I- 1.089e-17 1.089e-17 -16.963 -16.963 -0.000 (0) K 1.540e-03 @@ -158562,16 +157736,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 7.557e-20 - Nat+ 7.557e-20 7.557e-20 -19.122 -19.122 -0.000 (0) +Nat 7.554e-20 + Nat+ 7.554e-20 7.554e-20 -19.122 -19.122 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.281e-08 - HS- 3.694e-08 2.432e-08 -7.433 -7.614 -0.182 21.14 - H2S 1.587e-08 1.726e-08 -7.799 -7.763 0.036 36.27 - S-2 1.501e-13 3.618e-14 -12.824 -13.442 -0.618 (0) - (H2S)2 1.444e-17 1.570e-17 -16.841 -16.804 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.494 -70.458 0.036 30.40 +S(-2) 5.436e-08 + HS- 3.802e-08 2.503e-08 -7.420 -7.602 -0.182 21.14 + H2S 1.634e-08 1.776e-08 -7.787 -7.750 0.036 36.27 + S-2 1.545e-13 3.724e-14 -12.811 -13.429 -0.618 (0) + (H2S)2 1.529e-17 1.663e-17 -16.815 -16.779 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -158586,8 +157759,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -158598,21 +157771,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -158636,7 +157809,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.598e-11 Surface + diffuse layer charge, eq + -9.626e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -158646,7 +157819,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -158655,14 +157828,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 5.1736e-19 + Hto 5.1725e-19 I 8.0179e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9311e-21 + Nat 1.9304e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -158681,30 +157854,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.384e-18 5.165e-19 + Hto 4.383e-18 5.164e-19 I 6.806e-19 8.018e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.286e-21 3.871e-22 + Nat 3.285e-21 3.870e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.630e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -158716,37 +157889,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.373e-11 - CH4 3.373e-11 3.668e-11 -10.472 -10.436 0.036 35.46 +C(-4) 3.472e-11 + CH4 3.472e-11 3.775e-11 -10.459 -10.423 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.978e-11 - H2 9.891e-12 1.075e-11 -11.005 -10.968 0.036 28.61 -Hto 4.384e-18 - Hto 4.384e-18 4.384e-18 -17.358 -17.358 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.993e-11 + H2 9.963e-12 1.083e-11 -11.002 -10.965 0.036 28.61 +Hto 4.383e-18 + Hto 4.383e-18 4.383e-18 -17.358 -17.358 0.000 (0) I 6.806e-19 I- 6.806e-19 6.806e-19 -18.167 -18.167 -0.000 (0) K 1.540e-03 @@ -158764,16 +157937,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.286e-21 - Nat+ 3.286e-21 3.286e-21 -20.483 -20.483 -0.000 (0) +Nat 3.285e-21 + Nat+ 3.285e-21 3.285e-21 -20.483 -20.483 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.286e-08 - HS- 3.697e-08 2.434e-08 -7.432 -7.614 -0.182 21.14 - H2S 1.589e-08 1.727e-08 -7.799 -7.763 0.036 36.27 - S-2 1.502e-13 3.621e-14 -12.823 -13.441 -0.618 (0) - (H2S)2 1.446e-17 1.572e-17 -16.840 -16.803 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 +S(-2) 5.440e-08 + HS- 3.805e-08 2.505e-08 -7.420 -7.601 -0.182 21.14 + H2S 1.635e-08 1.778e-08 -7.786 -7.750 0.036 36.27 + S-2 1.546e-13 3.727e-14 -12.811 -13.429 -0.618 (0) + (H2S)2 1.532e-17 1.665e-17 -16.815 -16.778 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -158788,8 +157960,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -158800,21 +157972,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -158838,7 +158010,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.598e-11 Surface + diffuse layer charge, eq + -9.626e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -158848,7 +158020,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -158857,14 +158029,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 3.4091e-20 + Hto 3.4083e-20 I 4.4861e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.4930e-23 + Nat 7.4899e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -158883,30 +158055,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.889e-19 3.404e-20 + Hto 2.888e-19 3.403e-20 I 3.808e-20 4.486e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.275e-22 1.502e-23 + Nat 1.274e-22 1.501e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.627e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -158918,37 +158090,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.374e-11 - CH4 3.374e-11 3.668e-11 -10.472 -10.436 0.036 35.46 +C(-4) 3.473e-11 + CH4 3.473e-11 3.776e-11 -10.459 -10.423 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.978e-11 - H2 9.892e-12 1.075e-11 -11.005 -10.968 0.036 28.61 -Hto 2.889e-19 - Hto 2.889e-19 2.889e-19 -18.539 -18.539 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.993e-11 + H2 9.963e-12 1.083e-11 -11.002 -10.965 0.036 28.61 +Hto 2.888e-19 + Hto 2.888e-19 2.888e-19 -18.539 -18.539 0.000 (0) I 3.808e-20 I- 3.808e-20 3.808e-20 -19.419 -19.419 -0.000 (0) K 1.540e-03 @@ -158966,16 +158138,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.275e-22 - Nat+ 1.275e-22 1.275e-22 -21.894 -21.894 -0.000 (0) +Nat 1.274e-22 + Nat+ 1.274e-22 1.274e-22 -21.895 -21.895 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.287e-08 - HS- 3.697e-08 2.434e-08 -7.432 -7.614 -0.182 21.14 - H2S 1.589e-08 1.728e-08 -7.799 -7.763 0.036 36.27 - S-2 1.502e-13 3.622e-14 -12.823 -13.441 -0.618 (0) - (H2S)2 1.447e-17 1.573e-17 -16.840 -16.803 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 +S(-2) 5.441e-08 + HS- 3.806e-08 2.505e-08 -7.420 -7.601 -0.182 21.14 + H2S 1.635e-08 1.778e-08 -7.786 -7.750 0.036 36.27 + S-2 1.546e-13 3.728e-14 -12.811 -13.429 -0.618 (0) + (H2S)2 1.532e-17 1.666e-17 -16.815 -16.778 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -158990,8 +158161,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -159002,21 +158173,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -159040,7 +158211,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.598e-11 Surface + diffuse layer charge, eq + -9.626e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -159050,7 +158221,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -159059,14 +158230,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 2.0132e-21 - I 2.2475e-34 + Hto 2.0127e-21 + I 2.2480e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4881e-24 + Nat 2.4870e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -159085,30 +158256,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.706e-20 2.010e-21 + Hto 1.706e-20 2.009e-21 I 1.908e-21 2.247e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.234e-24 4.988e-25 + Nat 4.232e-24 4.986e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.628e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -159120,35 +158291,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.374e-11 - CH4 3.374e-11 3.668e-11 -10.472 -10.436 0.036 35.46 +C(-4) 3.473e-11 + CH4 3.473e-11 3.776e-11 -10.459 -10.423 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.978e-11 - H2 9.892e-12 1.075e-11 -11.005 -10.968 0.036 28.61 + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.993e-11 + H2 9.963e-12 1.083e-11 -11.002 -10.965 0.036 28.61 Hto 1.706e-20 Hto 1.706e-20 1.706e-20 -19.768 -19.768 0.000 (0) I 1.908e-21 @@ -159168,16 +158339,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.234e-24 - Nat+ 4.234e-24 4.234e-24 -23.373 -23.373 -0.000 (0) +Nat 4.232e-24 + Nat+ 4.232e-24 4.232e-24 -23.373 -23.373 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.287e-08 - HS- 3.698e-08 2.434e-08 -7.432 -7.614 -0.182 21.14 - H2S 1.589e-08 1.728e-08 -7.799 -7.763 0.036 36.27 - S-2 1.502e-13 3.622e-14 -12.823 -13.441 -0.618 (0) - (H2S)2 1.447e-17 1.573e-17 -16.840 -16.803 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 +S(-2) 5.441e-08 + HS- 3.806e-08 2.505e-08 -7.420 -7.601 -0.182 21.14 + H2S 1.635e-08 1.778e-08 -7.786 -7.750 0.036 36.27 + S-2 1.547e-13 3.728e-14 -12.811 -13.429 -0.618 (0) + (H2S)2 1.532e-17 1.666e-17 -16.815 -16.778 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -159192,8 +158362,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -159204,21 +158374,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -159242,7 +158412,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.598e-11 Surface + diffuse layer charge, eq + -9.626e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -159252,7 +158422,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -159261,10 +158431,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 1.0647e-22 - I 1.0018e-35 + Hto 1.0644e-22 + I 1.0017e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -159286,7 +158456,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.023e-22 1.063e-22 + Hto 9.020e-22 1.063e-22 I 8.503e-23 1.002e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -159297,18 +158467,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.628e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -159320,37 +158490,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.374e-11 - CH4 3.374e-11 3.668e-11 -10.472 -10.436 0.036 35.46 +C(-4) 3.473e-11 + CH4 3.473e-11 3.776e-11 -10.459 -10.423 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.978e-11 - H2 9.892e-12 1.075e-11 -11.005 -10.968 0.036 28.61 -Hto 9.023e-22 - Hto 9.023e-22 9.023e-22 -21.045 -21.045 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.993e-11 + H2 9.963e-12 1.083e-11 -11.002 -10.965 0.036 28.61 +Hto 9.020e-22 + Hto 9.020e-22 9.020e-22 -21.045 -21.045 0.000 (0) I 8.503e-23 I- 8.503e-23 8.503e-23 -22.070 -22.070 -0.000 (0) K 1.540e-03 @@ -159368,14 +158538,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.287e-08 - HS- 3.698e-08 2.434e-08 -7.432 -7.614 -0.182 21.14 - H2S 1.589e-08 1.728e-08 -7.799 -7.763 0.036 36.27 - S-2 1.503e-13 3.622e-14 -12.823 -13.441 -0.618 (0) - (H2S)2 1.447e-17 1.573e-17 -16.840 -16.803 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 +S(-2) 5.441e-08 + HS- 3.806e-08 2.505e-08 -7.420 -7.601 -0.182 21.14 + H2S 1.635e-08 1.778e-08 -7.786 -7.750 0.036 36.27 + S-2 1.547e-13 3.728e-14 -12.811 -13.429 -0.618 (0) + (H2S)2 1.532e-17 1.666e-17 -16.815 -16.778 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -159390,8 +158559,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -159402,21 +158571,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -159440,7 +158609,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.598e-11 Surface + diffuse layer charge, eq + -9.626e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -159450,7 +158619,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -159459,10 +158628,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6605e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 5.1793e-24 - I 3.3244e-37 + Hto 5.1777e-24 + I 3.3249e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -159484,7 +158653,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.389e-23 5.171e-24 + Hto 4.388e-23 5.169e-24 I 2.822e-24 3.324e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -159495,18 +158664,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.631e-10 + Electrical balance (eq) = -1.314e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -159518,37 +158687,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.374e-11 - CH4 3.374e-11 3.669e-11 -10.472 -10.436 0.036 35.46 +C(-4) 3.473e-11 + CH4 3.473e-11 3.776e-11 -10.459 -10.423 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.978e-11 - H2 9.892e-12 1.075e-11 -11.005 -10.968 0.036 28.61 -Hto 4.389e-23 - Hto 4.389e-23 4.389e-23 -22.358 -22.358 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.993e-11 + H2 9.963e-12 1.083e-11 -11.002 -10.965 0.036 28.61 +Hto 4.388e-23 + Hto 4.388e-23 4.388e-23 -22.358 -22.358 0.000 (0) I 2.822e-24 I- 2.822e-24 2.822e-24 -23.550 -23.550 -0.000 (0) K 1.540e-03 @@ -159566,14 +158735,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.287e-08 - HS- 3.698e-08 2.434e-08 -7.432 -7.614 -0.182 21.14 - H2S 1.589e-08 1.728e-08 -7.799 -7.763 0.036 36.27 - S-2 1.503e-13 3.622e-14 -12.823 -13.441 -0.618 (0) - (H2S)2 1.447e-17 1.573e-17 -16.840 -16.803 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 +S(-2) 5.441e-08 + HS- 3.806e-08 2.505e-08 -7.420 -7.601 -0.182 21.14 + H2S 1.635e-08 1.778e-08 -7.786 -7.750 0.036 36.27 + S-2 1.547e-13 3.728e-14 -12.811 -13.429 -0.618 (0) + (H2S)2 1.532e-17 1.666e-17 -16.815 -16.778 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -159588,8 +158756,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -159600,21 +158768,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.76 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -159644,18 +158812,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -159669,8 +158837,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -159694,8 +158862,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -159715,16 +158883,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -159751,21 +158918,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -159793,18 +158960,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -159818,8 +158985,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -159843,8 +159010,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -159864,16 +159031,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -159900,21 +159066,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -159951,18 +159117,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.033 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.031 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.009e-12 + Electrical balance (eq) = -9.667e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -159976,8 +159142,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.204e-12 - CH4 2.204e-12 2.397e-12 -11.657 -11.620 0.036 35.46 +C(-4) 2.120e-12 + CH4 2.120e-12 2.305e-12 -11.674 -11.637 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -160001,8 +159167,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 9.999e-12 - H2 5.000e-12 5.436e-12 -11.301 -11.265 0.036 28.61 +H(0) 9.902e-12 + H2 4.951e-12 5.383e-12 -11.305 -11.269 0.036 28.61 Hto 5.444e-07 Hto 5.444e-07 5.444e-07 -6.264 -6.264 0.000 (0) I 7.198e-07 @@ -160022,16 +159188,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.090e-07 Nat+ 3.090e-07 3.090e-07 -6.510 -6.510 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.896 -69.859 0.036 30.40 -S(-2) 3.456e-09 - HS- 2.416e-09 1.590e-09 -8.617 -8.798 -0.182 21.14 - H2S 1.040e-09 1.130e-09 -8.983 -8.947 0.036 36.27 - S-2 9.805e-15 2.364e-15 -14.009 -14.626 -0.618 (0) - (H2S)2 6.191e-20 6.731e-20 -19.208 -19.172 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.887 -69.851 0.036 30.40 +S(-2) 3.323e-09 + HS- 2.323e-09 1.530e-09 -8.634 -8.815 -0.182 21.14 + H2S 9.997e-10 1.087e-09 -9.000 -8.964 0.036 36.27 + S-2 9.430e-15 2.273e-15 -14.025 -14.643 -0.618 (0) + (H2S)2 5.726e-20 6.226e-20 -19.242 -19.206 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -160058,21 +159223,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.82 -11.62 -2.80 CH4 + CH4(g) -8.84 -11.64 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.16 -11.26 -3.10 H2 + H2(g) -8.17 -11.27 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.95 -15.89 -7.94 H2S + H2S(g) -7.97 -15.91 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.97 -69.86 -2.89 O2 + O2(g) -66.96 -69.85 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.71 -0.83 4.88 S + Sulfur -5.73 -0.84 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -160096,7 +159261,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.718e-14 Surface + diffuse layer charge, eq + -4.663e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -160106,7 +159271,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -160115,14 +159280,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6653e-10 - H 1.2948e-04 + Cl 4.6654e-10 + H 1.2947e-04 Hto 5.5289e-08 - I 7.3308e-20 + I 7.3295e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6129e-07 + Nat 1.6130e-07 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -160153,18 +159318,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.094 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.093 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.948e-09 + Electrical balance (eq) = 1.680e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -160178,18 +159343,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 6.770e-12 - CH4 6.770e-12 7.360e-12 -11.169 -11.133 0.036 35.46 +C(-4) 6.687e-12 + CH4 6.687e-12 7.270e-12 -11.175 -11.138 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -160197,14 +159362,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.009e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.008e-06 9.794e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.324e-11 - H2 6.619e-12 7.196e-12 -11.179 -11.143 0.036 28.61 +H(0) 1.320e-11 + H2 6.598e-12 7.174e-12 -11.181 -11.144 0.036 28.61 Hto 4.686e-07 Hto 4.686e-07 4.686e-07 -6.329 -6.329 0.000 (0) I 6.221e-07 @@ -160224,16 +159389,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.745e-07 Nat+ 2.745e-07 2.745e-07 -6.562 -6.562 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.139 -70.103 0.036 30.40 -S(-2) 1.061e-08 - HS- 7.420e-09 4.885e-09 -8.130 -8.311 -0.182 21.14 - H2S 3.192e-09 3.471e-09 -8.496 -8.460 0.036 36.27 - S-2 3.012e-14 7.260e-15 -13.521 -14.139 -0.618 (0) - (H2S)2 5.838e-19 6.347e-19 -18.234 -18.197 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.137 -70.100 0.036 30.40 +S(-2) 1.048e-08 + HS- 7.329e-09 4.825e-09 -8.135 -8.317 -0.182 21.14 + H2S 3.153e-09 3.428e-09 -8.501 -8.465 0.036 36.27 + S-2 2.975e-14 7.171e-15 -13.527 -14.144 -0.618 (0) + (H2S)2 5.696e-19 6.193e-19 -18.244 -18.208 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -160260,14 +159424,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.33 -11.13 -2.80 CH4 + CH4(g) -8.34 -11.14 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.47 -15.40 -7.94 H2S + H2S(g) -7.47 -15.41 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -160298,7 +159462,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.406e-11 Surface + diffuse layer charge, eq + -9.403e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -160308,7 +159472,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -160320,11 +159484,11 @@ Su Cl 4.6621e-10 H 1.2949e-04 Hto 3.3342e-08 - I 4.0558e-20 + I 4.0552e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.4373e-08 + Nat 8.4372e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -160356,18 +159520,18 @@ Su pH = 7.090 Charge balance pe = -3.163 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.552e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.232e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -160390,7 +159554,7 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.608e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.536e-08 7.106e-08 -7.185 -7.148 0.036 -14.13 @@ -160406,7 +159570,7 @@ Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) H(0) 1.823e-11 - H2 9.115e-12 9.910e-12 -11.040 -11.004 0.036 28.61 + H2 9.114e-12 9.909e-12 -11.040 -11.004 0.036 28.61 Hto 2.826e-07 Hto 2.826e-07 2.826e-07 -6.549 -6.549 0.000 (0) I 3.442e-07 @@ -160420,22 +159584,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.630e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.898e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.436e-07 Nat+ 1.436e-07 1.436e-07 -6.843 -6.843 -0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.417 -70.381 0.036 30.40 -S(-2) 3.813e-08 +S(-2) 3.812e-08 HS- 2.666e-08 1.755e-08 -7.574 -7.756 -0.182 21.14 H2S 1.146e-08 1.246e-08 -7.941 -7.904 0.036 36.27 S-2 1.083e-13 2.611e-14 -12.965 -13.583 -0.618 (0) - (H2S)2 7.528e-18 8.185e-18 -17.123 -17.087 0.036 30.09 + (H2S)2 7.527e-18 8.183e-18 -17.123 -17.087 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -160500,7 +159663,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.639e-11 Surface + diffuse layer charge, eq + -9.642e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -160510,7 +159673,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -160519,14 +159682,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6609e-10 + Cl 4.6608e-10 H 1.2950e-04 Hto 1.6155e-08 I 1.7715e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.1179e-08 + Nat 3.1178e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -160550,25 +159713,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.306e-08 6.250e-09 + Nat 5.305e-08 6.250e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.178 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.060e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -160582,33 +159745,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.121e-11 - CH4 3.121e-11 3.393e-11 -10.506 -10.469 0.036 35.46 +C(-4) 3.151e-11 + CH4 3.151e-11 3.426e-11 -10.501 -10.465 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.387e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.018e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.787e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.940e-11 - H2 9.700e-12 1.055e-11 -11.013 -10.977 0.036 28.61 +H(0) 1.945e-11 + H2 9.724e-12 1.057e-11 -11.012 -10.976 0.036 28.61 Hto 1.369e-07 Hto 1.369e-07 1.369e-07 -6.864 -6.864 0.000 (0) I 1.503e-07 @@ -160616,7 +159779,7 @@ I 1.503e-07 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -160628,16 +159791,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.306e-08 - Nat+ 5.306e-08 5.306e-08 -7.275 -7.275 -0.000 (0) +Nat 5.305e-08 + Nat+ 5.305e-08 5.305e-08 -7.275 -7.275 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.471 -70.435 0.036 30.40 -S(-2) 4.890e-08 - HS- 3.420e-08 2.252e-08 -7.466 -7.648 -0.182 21.14 - H2S 1.470e-08 1.598e-08 -7.833 -7.796 0.036 36.27 - S-2 1.390e-13 3.350e-14 -12.857 -13.475 -0.618 (0) - (H2S)2 1.238e-17 1.346e-17 -16.907 -16.871 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.473 -70.437 0.036 30.40 +S(-2) 4.938e-08 + HS- 3.454e-08 2.274e-08 -7.462 -7.643 -0.182 21.14 + H2S 1.484e-08 1.614e-08 -7.828 -7.792 0.036 36.27 + S-2 1.403e-13 3.382e-14 -12.853 -13.471 -0.618 (0) + (H2S)2 1.262e-17 1.372e-17 -16.899 -16.863 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -160664,14 +159826,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.67 -10.47 -2.80 CH4 + CH4(g) -7.66 -10.47 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.98 -3.10 H2 + H2(g) -7.87 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.80 -14.74 -7.94 H2S + H2S(g) -6.80 -14.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -160702,7 +159864,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.662e-11 Surface + diffuse layer charge, eq + -9.681e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -160712,7 +159874,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -160721,14 +159883,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6604e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 6.3819e-09 + Hto 6.3817e-09 I 6.2163e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.6707e-09 + Nat 8.6702e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -160747,7 +159909,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.408e-08 6.372e-09 + Hto 5.408e-08 6.371e-09 I 5.276e-08 6.215e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -160759,18 +159921,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.065e-09 + Electrical balance (eq) = -1.415e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -160782,17 +159944,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.367e-11 - CH4 3.367e-11 3.661e-11 -10.473 -10.436 0.036 35.46 +C(-4) 3.432e-11 + CH4 3.432e-11 3.732e-11 -10.464 -10.428 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 @@ -160803,14 +159965,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.977e-11 - H2 9.887e-12 1.075e-11 -11.005 -10.969 0.036 28.61 +H(0) 1.987e-11 + H2 9.934e-12 1.080e-11 -11.003 -10.967 0.036 28.61 Hto 5.408e-08 Hto 5.408e-08 5.408e-08 -7.267 -7.267 0.000 (0) I 5.276e-08 @@ -160830,16 +159992,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.475e-08 Nat+ 1.475e-08 1.475e-08 -7.831 -7.831 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.276e-08 - HS- 3.690e-08 2.429e-08 -7.433 -7.615 -0.182 21.14 - H2S 1.586e-08 1.724e-08 -7.800 -7.763 0.036 36.27 - S-2 1.500e-13 3.615e-14 -12.824 -13.442 -0.618 (0) - (H2S)2 1.441e-17 1.567e-17 -16.841 -16.805 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.492 -70.456 0.036 30.40 +S(-2) 5.378e-08 + HS- 3.761e-08 2.476e-08 -7.425 -7.606 -0.182 21.14 + H2S 1.616e-08 1.757e-08 -7.791 -7.755 0.036 36.27 + S-2 1.528e-13 3.684e-14 -12.816 -13.434 -0.618 (0) + (H2S)2 1.497e-17 1.627e-17 -16.825 -16.789 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -160866,21 +160027,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.71 -7.94 H2S + H2S(g) -6.76 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.56 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -160904,7 +160065,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.648e-11 Surface + diffuse layer charge, eq + -9.674e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -160914,7 +160075,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -160923,14 +160084,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6602e-10 H 1.2950e-04 - Hto 2.0895e-09 + Hto 2.0894e-09 I 1.7880e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8985e-09 + Nat 1.8984e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -160954,25 +160115,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.231e-09 3.806e-10 + Nat 3.230e-09 3.806e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.062e-09 + Electrical balance (eq) = -1.412e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -160986,33 +160147,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.443e-11 - CH4 3.443e-11 3.743e-11 -10.463 -10.427 0.036 35.46 +C(-4) 3.529e-11 + CH4 3.529e-11 3.836e-11 -10.452 -10.416 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.988e-11 - H2 9.941e-12 1.081e-11 -11.003 -10.966 0.036 28.61 + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.001e-11 + H2 1.000e-11 1.088e-11 -11.000 -10.964 0.036 28.61 Hto 1.771e-08 Hto 1.771e-08 1.771e-08 -7.752 -7.752 0.000 (0) I 1.518e-08 @@ -161027,21 +160188,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.231e-09 - Nat+ 3.231e-09 3.231e-09 -8.491 -8.491 -0.000 (0) +Nat 3.230e-09 + Nat+ 3.230e-09 3.230e-09 -8.491 -8.491 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.493 -70.456 0.036 30.40 -S(-2) 5.394e-08 - HS- 3.773e-08 2.483e-08 -7.423 -7.605 -0.182 21.14 - H2S 1.621e-08 1.763e-08 -7.790 -7.754 0.036 36.27 - S-2 1.533e-13 3.695e-14 -12.814 -13.432 -0.618 (0) - (H2S)2 1.506e-17 1.637e-17 -16.822 -16.786 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.498 -70.462 0.036 30.40 +S(-2) 5.528e-08 + HS- 3.867e-08 2.546e-08 -7.413 -7.594 -0.182 21.14 + H2S 1.662e-08 1.807e-08 -7.779 -7.743 0.036 36.27 + S-2 1.571e-13 3.788e-14 -12.804 -13.422 -0.618 (0) + (H2S)2 1.582e-17 1.720e-17 -16.801 -16.765 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -161056,8 +160216,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -161068,21 +160228,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.43 -2.80 CH4 + CH4(g) -7.61 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.70 -7.94 H2S + H2S(g) -6.75 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.46 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -161106,7 +160266,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.634e-11 Surface + diffuse layer charge, eq + -9.662e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -161116,7 +160276,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -161125,14 +160285,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 5.7562e-10 - I 4.2926e-22 + Hto 5.7559e-10 + I 4.2936e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3808e-10 + Nat 3.3805e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -161156,25 +160316,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.753e-10 6.777e-11 + Nat 5.752e-10 6.777e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.059e-09 + Electrical balance (eq) = -1.411e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -161188,33 +160348,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.454e-11 - CH4 3.454e-11 3.756e-11 -10.462 -10.425 0.036 35.46 +C(-4) 3.549e-11 + CH4 3.549e-11 3.859e-11 -10.450 -10.414 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.404 -8.249 0.155 (0) -H(0) 1.990e-11 - H2 9.950e-12 1.082e-11 -11.002 -10.966 0.036 28.61 + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.004e-11 + H2 1.002e-11 1.089e-11 -10.999 -10.963 0.036 28.61 Hto 4.878e-09 Hto 4.878e-09 4.878e-09 -8.312 -8.312 0.000 (0) I 3.644e-09 @@ -161229,21 +160389,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.753e-10 - Nat+ 5.753e-10 5.753e-10 -9.240 -9.240 -0.000 (0) +Nat 5.752e-10 + Nat+ 5.752e-10 5.752e-10 -9.240 -9.240 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.493 -70.457 0.036 30.40 -S(-2) 5.412e-08 - HS- 3.786e-08 2.492e-08 -7.422 -7.603 -0.182 21.14 - H2S 1.627e-08 1.769e-08 -7.789 -7.752 0.036 36.27 - S-2 1.538e-13 3.708e-14 -12.813 -13.431 -0.618 (0) - (H2S)2 1.516e-17 1.648e-17 -16.819 -16.783 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.499 -70.463 0.036 30.40 +S(-2) 5.561e-08 + HS- 3.890e-08 2.561e-08 -7.410 -7.592 -0.182 21.14 + H2S 1.671e-08 1.817e-08 -7.777 -7.741 0.036 36.27 + S-2 1.581e-13 3.810e-14 -12.801 -13.419 -0.618 (0) + (H2S)2 1.601e-17 1.740e-17 -16.796 -16.759 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -161253,13 +160412,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -161270,21 +160429,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.43 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.75 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.46 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -161308,7 +160467,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.624e-11 Surface + diffuse layer charge, eq + -9.652e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -161318,7 +160477,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -161327,14 +160486,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6602e-10 H 1.2950e-04 - Hto 1.3519e-10 - I 8.7358e-23 + Hto 1.3518e-10 + I 8.7345e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.0136e-11 + Nat 5.0129e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -161358,25 +160517,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.531e-11 1.005e-11 + Nat 8.530e-11 1.005e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.058e-09 + Electrical balance (eq) = -1.409e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -161390,33 +160549,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.439e-11 - CH4 3.439e-11 3.739e-11 -10.464 -10.427 0.036 35.46 +C(-4) 3.537e-11 + CH4 3.537e-11 3.845e-11 -10.451 -10.415 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.988e-11 - H2 9.939e-12 1.081e-11 -11.003 -10.966 0.036 28.61 + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.002e-11 + H2 1.001e-11 1.088e-11 -11.000 -10.963 0.036 28.61 Hto 1.146e-09 Hto 1.146e-09 1.146e-09 -8.941 -8.941 0.000 (0) I 7.414e-10 @@ -161431,21 +160590,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.531e-11 - Nat+ 8.531e-11 8.531e-11 -10.069 -10.069 -0.000 (0) +Nat 8.530e-11 + Nat+ 8.530e-11 8.530e-11 -10.069 -10.069 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.492 -70.456 0.036 30.40 -S(-2) 5.388e-08 - HS- 3.769e-08 2.481e-08 -7.424 -7.605 -0.182 21.14 - H2S 1.619e-08 1.761e-08 -7.791 -7.754 0.036 36.27 - S-2 1.531e-13 3.691e-14 -12.815 -13.433 -0.618 (0) - (H2S)2 1.503e-17 1.634e-17 -16.823 -16.787 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.499 -70.462 0.036 30.40 +S(-2) 5.541e-08 + HS- 3.876e-08 2.551e-08 -7.412 -7.593 -0.182 21.14 + H2S 1.665e-08 1.811e-08 -7.778 -7.742 0.036 36.27 + S-2 1.575e-13 3.797e-14 -12.803 -13.421 -0.618 (0) + (H2S)2 1.589e-17 1.728e-17 -16.799 -16.762 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -161460,8 +160618,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -161472,21 +160630,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.43 -2.80 CH4 + CH4(g) -7.61 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.70 -7.94 H2S + H2S(g) -6.75 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.46 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -161510,7 +160668,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.612e-11 Surface + diffuse layer charge, eq + -9.641e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -161520,7 +160678,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -161529,14 +160687,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6604e-10 + Cl 4.6602e-10 H 1.2950e-04 - Hto 2.7372e-11 - I 1.5248e-23 + Hto 2.7369e-11 + I 1.5251e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3026e-12 + Nat 6.3016e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -161555,7 +160713,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.320e-10 2.733e-11 + Hto 2.319e-10 2.733e-11 I 1.294e-10 1.525e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -161567,18 +160725,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.420e-10 + Electrical balance (eq) = -8.947e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -161592,35 +160750,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.412e-11 - CH4 3.412e-11 3.710e-11 -10.467 -10.431 0.036 35.46 +C(-4) 3.511e-11 + CH4 3.511e-11 3.817e-11 -10.455 -10.418 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.984e-11 - H2 9.919e-12 1.078e-11 -11.004 -10.967 0.036 28.61 -Hto 2.320e-10 - Hto 2.320e-10 2.320e-10 -9.635 -9.635 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.998e-11 + H2 9.990e-12 1.086e-11 -11.000 -10.964 0.036 28.61 +Hto 2.319e-10 + Hto 2.319e-10 2.319e-10 -9.635 -9.635 0.000 (0) I 1.294e-10 I- 1.294e-10 1.294e-10 -9.888 -9.888 -0.000 (0) K 1.540e-03 @@ -161638,16 +160796,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.072e-11 Nat+ 1.072e-11 1.072e-11 -10.970 -10.970 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.491 -70.454 0.036 30.40 -S(-2) 5.346e-08 - HS- 3.739e-08 2.462e-08 -7.427 -7.609 -0.182 21.14 - H2S 1.607e-08 1.747e-08 -7.794 -7.758 0.036 36.27 - S-2 1.519e-13 3.663e-14 -12.818 -13.436 -0.618 (0) - (H2S)2 1.479e-17 1.608e-17 -16.830 -16.794 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.497 -70.461 0.036 30.40 +S(-2) 5.500e-08 + HS- 3.847e-08 2.533e-08 -7.415 -7.596 -0.182 21.14 + H2S 1.653e-08 1.797e-08 -7.782 -7.745 0.036 36.27 + S-2 1.563e-13 3.769e-14 -12.806 -13.424 -0.618 (0) + (H2S)2 1.566e-17 1.703e-17 -16.805 -16.769 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -161662,8 +160819,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -161674,21 +160831,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.43 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.70 -7.94 H2S + H2S(g) -6.75 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -161712,7 +160869,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.604e-11 Surface + diffuse layer charge, eq + -9.632e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -161722,7 +160879,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -161731,14 +160888,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6604e-10 + Cl 4.6602e-10 H 1.2950e-04 - Hto 4.8213e-12 - I 2.3079e-24 + Hto 4.8208e-12 + I 2.3083e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.8086e-13 + Nat 6.8073e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -161757,30 +160914,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.086e-11 4.813e-12 + Hto 4.085e-11 4.813e-12 I 1.959e-11 2.308e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.159e-12 1.365e-13 + Nat 1.158e-12 1.365e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.925e-10 + Electrical balance (eq) = -8.434e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -161792,17 +160949,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.391e-11 - CH4 3.391e-11 3.687e-11 -10.470 -10.433 0.036 35.46 +C(-4) 3.490e-11 + CH4 3.490e-11 3.794e-11 -10.457 -10.421 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 @@ -161813,16 +160970,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.981e-11 - H2 9.904e-12 1.077e-11 -11.004 -10.968 0.036 28.61 -Hto 4.086e-11 - Hto 4.086e-11 4.086e-11 -10.389 -10.389 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.995e-11 + H2 9.975e-12 1.085e-11 -11.001 -10.965 0.036 28.61 +Hto 4.085e-11 + Hto 4.085e-11 4.085e-11 -10.389 -10.389 0.000 (0) I 1.959e-11 I- 1.959e-11 1.959e-11 -10.708 -10.708 -0.000 (0) K 1.540e-03 @@ -161840,16 +160997,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.159e-12 - Nat+ 1.159e-12 1.159e-12 -11.936 -11.936 -0.000 (0) +Nat 1.158e-12 + Nat+ 1.158e-12 1.158e-12 -11.936 -11.936 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.489 -70.453 0.036 30.40 -S(-2) 5.313e-08 - HS- 3.716e-08 2.446e-08 -7.430 -7.611 -0.182 21.14 - H2S 1.597e-08 1.736e-08 -7.797 -7.760 0.036 36.27 - S-2 1.510e-13 3.640e-14 -12.821 -13.439 -0.618 (0) - (H2S)2 1.461e-17 1.589e-17 -16.835 -16.799 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.496 -70.459 0.036 30.40 +S(-2) 5.468e-08 + HS- 3.824e-08 2.518e-08 -7.417 -7.599 -0.182 21.14 + H2S 1.643e-08 1.787e-08 -7.784 -7.748 0.036 36.27 + S-2 1.554e-13 3.746e-14 -12.809 -13.426 -0.618 (0) + (H2S)2 1.547e-17 1.682e-17 -16.810 -16.774 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -161865,7 +161021,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -161876,21 +161032,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.43 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.75 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -161914,7 +161070,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.600e-11 Surface + diffuse layer charge, eq + -9.628e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -161924,7 +161080,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -161933,14 +161089,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6604e-10 + Cl 4.6603e-10 H 1.2950e-04 - Hto 7.4445e-13 + Hto 7.4436e-13 I 3.0545e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3881e-14 + Nat 6.3867e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -161959,30 +161115,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.309e-12 7.433e-13 + Hto 6.308e-12 7.432e-13 I 2.592e-12 3.054e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.087e-13 1.281e-14 + Nat 1.087e-13 1.280e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.482e-10 + Electrical balance (eq) = -1.299e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -161994,17 +161150,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.383e-11 - CH4 3.383e-11 3.678e-11 -10.471 -10.434 0.036 35.46 +C(-4) 3.481e-11 + CH4 3.481e-11 3.785e-11 -10.458 -10.422 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 @@ -162015,16 +161171,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.980e-11 - H2 9.898e-12 1.076e-11 -11.004 -10.968 0.036 28.61 -Hto 6.309e-12 - Hto 6.309e-12 6.309e-12 -11.200 -11.200 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.994e-11 + H2 9.969e-12 1.084e-11 -11.001 -10.965 0.036 28.61 +Hto 6.308e-12 + Hto 6.308e-12 6.308e-12 -11.200 -11.200 0.000 (0) I 2.592e-12 I- 2.592e-12 2.592e-12 -11.586 -11.586 -0.000 (0) K 1.540e-03 @@ -162042,16 +161198,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.087e-13 Nat+ 1.087e-13 1.087e-13 -12.964 -12.964 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.489 -70.453 0.036 30.40 -S(-2) 5.300e-08 - HS- 3.707e-08 2.440e-08 -7.431 -7.613 -0.182 21.14 - H2S 1.593e-08 1.732e-08 -7.798 -7.761 0.036 36.27 - S-2 1.506e-13 3.631e-14 -12.822 -13.440 -0.618 (0) - (H2S)2 1.454e-17 1.581e-17 -16.837 -16.801 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.459 0.036 30.40 +S(-2) 5.455e-08 + HS- 3.815e-08 2.511e-08 -7.418 -7.600 -0.182 21.14 + H2S 1.639e-08 1.782e-08 -7.785 -7.749 0.036 36.27 + S-2 1.550e-13 3.737e-14 -12.810 -13.427 -0.618 (0) + (H2S)2 1.540e-17 1.674e-17 -16.813 -16.776 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -162067,7 +161222,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -162078,21 +161233,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.43 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.75 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -162116,7 +161271,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.599e-11 Surface + diffuse layer charge, eq + -9.627e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -162126,7 +161281,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -162135,14 +161290,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6604e-10 + Cl 4.6602e-10 H 1.2950e-04 - Hto 1.0140e-13 + Hto 1.0139e-13 I 3.5574e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.2492e-15 + Nat 5.2479e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -162161,30 +161316,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.593e-13 1.012e-13 + Hto 8.592e-13 1.012e-13 I 3.019e-13 3.557e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.932e-15 1.052e-15 + Nat 8.930e-15 1.052e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.625e-10 + Electrical balance (eq) = -1.313e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -162196,17 +161351,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.388e-11 - CH4 3.388e-11 3.683e-11 -10.470 -10.434 0.036 35.46 +C(-4) 3.486e-11 + CH4 3.486e-11 3.791e-11 -10.458 -10.421 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 @@ -162217,16 +161372,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.980e-11 - H2 9.902e-12 1.077e-11 -11.004 -10.968 0.036 28.61 -Hto 8.593e-13 - Hto 8.593e-13 8.593e-13 -12.066 -12.066 0.000 (0) + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.995e-11 + H2 9.973e-12 1.084e-11 -11.001 -10.965 0.036 28.61 +Hto 8.592e-13 + Hto 8.592e-13 8.592e-13 -12.066 -12.066 0.000 (0) I 3.019e-13 I- 3.019e-13 3.019e-13 -12.520 -12.520 -0.000 (0) K 1.540e-03 @@ -162244,16 +161399,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.932e-15 - Nat+ 8.932e-15 8.932e-15 -14.049 -14.049 -0.000 (0) +Nat 8.930e-15 + Nat+ 8.930e-15 8.930e-15 -14.049 -14.049 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.489 -70.453 0.036 30.40 -S(-2) 5.308e-08 - HS- 3.713e-08 2.444e-08 -7.430 -7.612 -0.182 21.14 - H2S 1.595e-08 1.735e-08 -7.797 -7.761 0.036 36.27 - S-2 1.509e-13 3.636e-14 -12.821 -13.439 -0.618 (0) - (H2S)2 1.458e-17 1.586e-17 -16.836 -16.800 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.459 0.036 30.40 +S(-2) 5.463e-08 + HS- 3.821e-08 2.515e-08 -7.418 -7.599 -0.182 21.14 + H2S 1.642e-08 1.785e-08 -7.785 -7.748 0.036 36.27 + S-2 1.553e-13 3.742e-14 -12.809 -13.427 -0.618 (0) + (H2S)2 1.544e-17 1.679e-17 -16.811 -16.775 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -162269,7 +161423,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -162280,21 +161434,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.43 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.70 -7.94 H2S + H2S(g) -6.75 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -162318,7 +161472,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.607e-11 Surface + diffuse layer charge, eq + -9.635e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -162328,7 +161482,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -162337,14 +161491,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6604e-10 + Cl 4.6602e-10 H 1.2950e-04 - Hto 1.2246e-14 + Hto 1.2244e-14 I 3.6674e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8028e-16 + Nat 3.8018e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -162363,30 +161517,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.038e-13 1.223e-14 + Hto 1.038e-13 1.222e-14 I 3.113e-14 3.667e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.471e-16 7.623e-17 + Nat 6.469e-16 7.621e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.183 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.289e-10 + Electrical balance (eq) = 1.779e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -162398,35 +161552,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.408e-11 - CH4 3.408e-11 3.706e-11 -10.467 -10.431 0.036 35.46 +C(-4) 3.507e-11 + CH4 3.507e-11 3.813e-11 -10.455 -10.419 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.983e-11 - H2 9.917e-12 1.078e-11 -11.004 -10.967 0.036 28.61 + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 1.998e-11 + H2 9.988e-12 1.086e-11 -11.001 -10.964 0.036 28.61 Hto 1.038e-13 Hto 1.038e-13 1.038e-13 -12.984 -12.984 0.000 (0) I 3.113e-14 @@ -162446,16 +161600,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 6.471e-16 - Nat+ 6.471e-16 6.471e-16 -15.189 -15.189 -0.000 (0) +Nat 6.469e-16 + Nat+ 6.469e-16 6.469e-16 -15.189 -15.189 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.490 -70.454 0.036 30.40 -S(-2) 5.340e-08 - HS- 3.735e-08 2.459e-08 -7.428 -7.609 -0.182 21.14 - H2S 1.605e-08 1.745e-08 -7.794 -7.758 0.036 36.27 - S-2 1.518e-13 3.659e-14 -12.819 -13.437 -0.618 (0) - (H2S)2 1.476e-17 1.605e-17 -16.831 -16.795 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.497 -70.460 0.036 30.40 +S(-2) 5.495e-08 + HS- 3.843e-08 2.530e-08 -7.415 -7.597 -0.182 21.14 + H2S 1.652e-08 1.796e-08 -7.782 -7.746 0.036 36.27 + S-2 1.562e-13 3.765e-14 -12.806 -13.424 -0.618 (0) + (H2S)2 1.563e-17 1.699e-17 -16.806 -16.770 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -162470,8 +161623,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -162482,21 +161635,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.43 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.70 -7.94 H2S + H2S(g) -6.75 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.45 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -162520,7 +161673,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.616e-11 Surface + diffuse layer charge, eq + -9.644e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -162530,7 +161683,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -162539,14 +161692,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 1.3167e-15 - I 3.3605e-28 + Hto 1.3164e-15 + I 3.3610e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4417e-17 + Nat 2.4409e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -162565,30 +161718,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.116e-14 1.315e-15 + Hto 1.116e-14 1.314e-15 I 2.853e-15 3.361e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.155e-17 4.895e-18 + Nat 4.154e-17 4.893e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.182 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.057e-09 + Electrical balance (eq) = -1.408e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -162602,33 +161755,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.440e-11 - CH4 3.440e-11 3.740e-11 -10.463 -10.427 0.036 35.46 +C(-4) 3.539e-11 + CH4 3.539e-11 3.847e-11 -10.451 -10.415 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.988e-11 - H2 9.940e-12 1.081e-11 -11.003 -10.966 0.036 28.61 + HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.002e-11 + H2 1.001e-11 1.088e-11 -11.000 -10.963 0.036 28.61 Hto 1.116e-14 Hto 1.116e-14 1.116e-14 -13.952 -13.952 0.000 (0) I 2.853e-15 @@ -162643,21 +161796,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 4.155e-17 - Nat+ 4.155e-17 4.155e-17 -16.381 -16.381 -0.000 (0) +Nat 4.154e-17 + Nat+ 4.154e-17 4.154e-17 -16.382 -16.382 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.492 -70.456 0.036 30.40 -S(-2) 5.390e-08 - HS- 3.770e-08 2.482e-08 -7.424 -7.605 -0.182 21.14 - H2S 1.620e-08 1.761e-08 -7.790 -7.754 0.036 36.27 - S-2 1.532e-13 3.692e-14 -12.815 -13.433 -0.618 (0) - (H2S)2 1.503e-17 1.635e-17 -16.823 -16.787 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.499 -70.462 0.036 30.40 +S(-2) 5.544e-08 + HS- 3.878e-08 2.553e-08 -7.411 -7.593 -0.182 21.14 + H2S 1.666e-08 1.812e-08 -7.778 -7.742 0.036 36.27 + S-2 1.576e-13 3.799e-14 -12.802 -13.420 -0.618 (0) + (H2S)2 1.591e-17 1.730e-17 -16.798 -16.762 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -162672,8 +161824,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -162684,21 +161836,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.43 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.87 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.70 -7.94 H2S + H2S(g) -6.75 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.46 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -162722,7 +161874,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.624e-11 Surface + diffuse layer charge, eq + -9.652e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -162732,7 +161884,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -162741,14 +161893,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 1.2645e-16 - I 2.7478e-29 + Hto 1.2642e-16 + I 2.7481e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3952e-18 + Nat 1.3947e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -162767,30 +161919,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.072e-15 1.262e-16 + Hto 1.071e-15 1.262e-16 I 2.332e-16 2.748e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.374e-18 2.797e-19 + Nat 2.373e-18 2.796e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.058e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -162804,35 +161956,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.463e-11 - CH4 3.463e-11 3.765e-11 -10.461 -10.424 0.036 35.46 +C(-4) 3.561e-11 + CH4 3.561e-11 3.872e-11 -10.448 -10.412 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.991e-11 - H2 9.956e-12 1.082e-11 -11.002 -10.966 0.036 28.61 -Hto 1.072e-15 - Hto 1.072e-15 1.072e-15 -14.970 -14.970 0.000 (0) +H(0) 2.005e-11 + H2 1.003e-11 1.090e-11 -10.999 -10.963 0.036 28.61 +Hto 1.071e-15 + Hto 1.071e-15 1.071e-15 -14.970 -14.970 0.000 (0) I 2.332e-16 I- 2.332e-16 2.332e-16 -15.632 -15.632 -0.000 (0) K 1.540e-03 @@ -162845,21 +161997,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.374e-18 - Nat+ 2.374e-18 2.374e-18 -17.625 -17.625 -0.000 (0) +Nat 2.373e-18 + Nat+ 2.373e-18 2.373e-18 -17.625 -17.625 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.494 -70.458 0.036 30.40 -S(-2) 5.425e-08 - HS- 3.795e-08 2.498e-08 -7.421 -7.602 -0.182 21.14 - H2S 1.631e-08 1.773e-08 -7.788 -7.751 0.036 36.27 - S-2 1.542e-13 3.717e-14 -12.812 -13.430 -0.618 (0) - (H2S)2 1.523e-17 1.656e-17 -16.817 -16.781 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.500 -70.464 0.036 30.40 +S(-2) 5.580e-08 + HS- 3.903e-08 2.569e-08 -7.409 -7.590 -0.182 21.14 + H2S 1.677e-08 1.823e-08 -7.775 -7.739 0.036 36.27 + S-2 1.586e-13 3.823e-14 -12.800 -13.418 -0.618 (0) + (H2S)2 1.611e-17 1.752e-17 -16.793 -16.756 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -162869,13 +162020,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.087e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -162886,21 +162037,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -162924,7 +162075,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.627e-11 Surface + diffuse layer charge, eq + -9.655e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -162934,7 +162085,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -162943,14 +162094,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 1.0874e-17 - I 2.0107e-30 + Hto 1.0872e-17 + I 2.0099e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.1175e-20 + Nat 7.1150e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -162969,30 +162120,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.216e-17 1.086e-17 + Hto 9.214e-17 1.085e-17 I 1.706e-17 2.010e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.211e-19 1.427e-20 + Nat 1.211e-19 1.426e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.059e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -163006,35 +162157,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.473e-11 - CH4 3.473e-11 3.775e-11 -10.459 -10.423 0.036 35.46 +C(-4) 3.571e-11 + CH4 3.571e-11 3.883e-11 -10.447 -10.411 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.993e-11 - H2 9.963e-12 1.083e-11 -11.002 -10.965 0.036 28.61 -Hto 9.216e-17 - Hto 9.216e-17 9.216e-17 -16.035 -16.035 0.000 (0) +H(0) 2.007e-11 + H2 1.003e-11 1.091e-11 -10.999 -10.962 0.036 28.61 +Hto 9.214e-17 + Hto 9.214e-17 9.214e-17 -16.036 -16.036 0.000 (0) I 1.706e-17 I- 1.706e-17 1.706e-17 -16.768 -16.768 -0.000 (0) K 1.540e-03 @@ -163047,21 +162198,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.211e-19 Nat+ 1.211e-19 1.211e-19 -18.917 -18.917 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 -S(-2) 5.441e-08 - HS- 3.805e-08 2.505e-08 -7.420 -7.601 -0.182 21.14 - H2S 1.635e-08 1.778e-08 -7.786 -7.750 0.036 36.27 - S-2 1.546e-13 3.728e-14 -12.811 -13.429 -0.618 (0) - (H2S)2 1.532e-17 1.666e-17 -16.815 -16.778 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.501 -70.464 0.036 30.40 +S(-2) 5.595e-08 + HS- 3.914e-08 2.576e-08 -7.407 -7.589 -0.182 21.14 + H2S 1.682e-08 1.828e-08 -7.774 -7.738 0.036 36.27 + S-2 1.590e-13 3.834e-14 -12.798 -13.416 -0.618 (0) + (H2S)2 1.620e-17 1.762e-17 -16.790 -16.754 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -163071,12 +162221,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -163088,21 +162238,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -163126,7 +162276,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.627e-11 Surface + diffuse layer charge, eq + -9.655e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -163136,7 +162286,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -163145,14 +162295,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 8.3900e-19 + Hto 8.3881e-19 I 1.3181e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2492e-21 + Nat 3.2479e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -163171,30 +162321,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.110e-18 8.376e-19 + Hto 7.109e-18 8.375e-19 I 1.119e-18 1.318e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.529e-21 6.514e-22 + Nat 5.527e-21 6.511e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.059e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -163208,35 +162358,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.475e-11 - CH4 3.475e-11 3.779e-11 -10.459 -10.423 0.036 35.46 +C(-4) 3.574e-11 + CH4 3.574e-11 3.886e-11 -10.447 -10.410 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.993e-11 - H2 9.965e-12 1.083e-11 -11.002 -10.965 0.036 28.61 -Hto 7.110e-18 - Hto 7.110e-18 7.110e-18 -17.148 -17.148 0.000 (0) +H(0) 2.007e-11 + H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +Hto 7.109e-18 + Hto 7.109e-18 7.109e-18 -17.148 -17.148 0.000 (0) I 1.119e-18 I- 1.119e-18 1.119e-18 -17.951 -17.951 -0.000 (0) K 1.540e-03 @@ -163249,21 +162399,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.529e-21 - Nat+ 5.529e-21 5.529e-21 -20.257 -20.257 -0.000 (0) +Nat 5.527e-21 + Nat+ 5.527e-21 5.527e-21 -20.258 -20.258 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 -S(-2) 5.445e-08 - HS- 3.809e-08 2.507e-08 -7.419 -7.601 -0.182 21.14 - H2S 1.637e-08 1.779e-08 -7.786 -7.750 0.036 36.27 - S-2 1.548e-13 3.731e-14 -12.810 -13.428 -0.618 (0) - (H2S)2 1.535e-17 1.669e-17 -16.814 -16.778 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.501 -70.464 0.036 30.40 +S(-2) 5.600e-08 + HS- 3.917e-08 2.578e-08 -7.407 -7.589 -0.182 21.14 + H2S 1.683e-08 1.830e-08 -7.774 -7.738 0.036 36.27 + S-2 1.592e-13 3.837e-14 -12.798 -13.416 -0.618 (0) + (H2S)2 1.623e-17 1.765e-17 -16.790 -16.753 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -163272,13 +162421,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -163290,21 +162439,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -163328,7 +162477,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.627e-11 Surface + diffuse layer charge, eq + -9.655e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -163338,7 +162487,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -163347,14 +162496,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 5.8143e-20 - I 7.7594e-33 + Hto 5.8129e-20 + I 7.7579e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3281e-22 + Nat 1.3275e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -163373,30 +162522,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.927e-19 5.805e-20 + Hto 4.926e-19 5.804e-20 I 6.584e-20 7.757e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.260e-22 2.662e-23 + Nat 2.259e-22 2.661e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.059e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -163410,35 +162559,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.476e-11 - CH4 3.476e-11 3.779e-11 -10.459 -10.423 0.036 35.46 +C(-4) 3.575e-11 + CH4 3.575e-11 3.887e-11 -10.447 -10.410 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.993e-11 - H2 9.966e-12 1.084e-11 -11.001 -10.965 0.036 28.61 -Hto 4.927e-19 - Hto 4.927e-19 4.927e-19 -18.307 -18.307 0.000 (0) +H(0) 2.007e-11 + H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +Hto 4.926e-19 + Hto 4.926e-19 4.926e-19 -18.307 -18.307 0.000 (0) I 6.584e-20 I- 6.584e-20 6.584e-20 -19.181 -19.181 -0.000 (0) K 1.540e-03 @@ -163451,21 +162600,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.260e-22 - Nat+ 2.260e-22 2.260e-22 -21.646 -21.646 -0.000 (0) +Nat 2.259e-22 + Nat+ 2.259e-22 2.259e-22 -21.646 -21.646 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 -S(-2) 5.446e-08 - HS- 3.809e-08 2.508e-08 -7.419 -7.601 -0.182 21.14 - H2S 1.637e-08 1.780e-08 -7.786 -7.750 0.036 36.27 - S-2 1.548e-13 3.731e-14 -12.810 -13.428 -0.618 (0) - (H2S)2 1.535e-17 1.669e-17 -16.814 -16.777 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 +S(-2) 5.601e-08 + HS- 3.918e-08 2.579e-08 -7.407 -7.589 -0.182 21.14 + H2S 1.683e-08 1.830e-08 -7.774 -7.737 0.036 36.27 + S-2 1.592e-13 3.838e-14 -12.798 -13.416 -0.618 (0) + (H2S)2 1.624e-17 1.765e-17 -16.790 -16.753 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -163474,13 +162622,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -163492,21 +162640,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -163530,7 +162678,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.627e-11 Surface + diffuse layer charge, eq + -9.655e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -163540,7 +162688,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -163549,14 +162697,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 3.6216e-21 - I 4.1011e-34 + Hto 3.6207e-21 + I 4.1006e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.7578e-24 + Nat 4.7557e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -163575,30 +162723,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.069e-20 3.616e-21 + Hto 3.068e-20 3.615e-21 I 3.481e-21 4.100e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.096e-24 9.538e-25 + Nat 8.092e-24 9.534e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.059e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -163612,35 +162760,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.476e-11 - CH4 3.476e-11 3.779e-11 -10.459 -10.423 0.036 35.46 +C(-4) 3.575e-11 + CH4 3.575e-11 3.887e-11 -10.447 -10.410 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.993e-11 - H2 9.966e-12 1.084e-11 -11.001 -10.965 0.036 28.61 -Hto 3.069e-20 - Hto 3.069e-20 3.069e-20 -19.513 -19.513 0.000 (0) +H(0) 2.007e-11 + H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +Hto 3.068e-20 + Hto 3.068e-20 3.068e-20 -19.513 -19.513 0.000 (0) I 3.481e-21 I- 3.481e-21 3.481e-21 -20.458 -20.458 -0.000 (0) K 1.540e-03 @@ -163653,21 +162801,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.096e-24 - Nat+ 8.096e-24 8.096e-24 -23.092 -23.092 -0.000 (0) +Nat 8.092e-24 + Nat+ 8.092e-24 8.092e-24 -23.092 -23.092 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 -S(-2) 5.447e-08 - HS- 3.810e-08 2.508e-08 -7.419 -7.601 -0.182 21.14 - H2S 1.637e-08 1.780e-08 -7.786 -7.750 0.036 36.27 - S-2 1.548e-13 3.732e-14 -12.810 -13.428 -0.618 (0) - (H2S)2 1.535e-17 1.669e-17 -16.814 -16.777 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 +S(-2) 5.601e-08 + HS- 3.918e-08 2.579e-08 -7.407 -7.589 -0.182 21.14 + H2S 1.683e-08 1.830e-08 -7.774 -7.737 0.036 36.27 + S-2 1.592e-13 3.838e-14 -12.798 -13.416 -0.618 (0) + (H2S)2 1.624e-17 1.765e-17 -16.789 -16.753 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -163676,13 +162823,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -163694,21 +162841,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -163732,7 +162879,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.627e-11 Surface + diffuse layer charge, eq + -9.655e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -163742,7 +162889,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -163751,10 +162898,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 2.0271e-22 - I 1.9407e-35 + Hto 2.0266e-22 + I 1.9413e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -163776,7 +162923,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.718e-21 2.024e-22 + Hto 1.717e-21 2.023e-22 I 1.647e-22 1.941e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -163787,18 +162934,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.059e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -163812,35 +162959,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.476e-11 - CH4 3.476e-11 3.780e-11 -10.459 -10.423 0.036 35.46 +C(-4) 3.575e-11 + CH4 3.575e-11 3.887e-11 -10.447 -10.410 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.993e-11 - H2 9.966e-12 1.084e-11 -11.001 -10.965 0.036 28.61 -Hto 1.718e-21 - Hto 1.718e-21 1.718e-21 -20.765 -20.765 0.000 (0) +H(0) 2.007e-11 + H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +Hto 1.717e-21 + Hto 1.717e-21 1.717e-21 -20.765 -20.765 0.000 (0) I 1.647e-22 I- 1.647e-22 1.647e-22 -21.783 -21.783 -0.000 (0) K 1.540e-03 @@ -163853,19 +163000,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 -S(-2) 5.447e-08 - HS- 3.810e-08 2.508e-08 -7.419 -7.601 -0.182 21.14 - H2S 1.637e-08 1.780e-08 -7.786 -7.750 0.036 36.27 - S-2 1.548e-13 3.732e-14 -12.810 -13.428 -0.618 (0) - (H2S)2 1.535e-17 1.669e-17 -16.814 -16.777 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 +S(-2) 5.601e-08 + HS- 3.918e-08 2.579e-08 -7.407 -7.589 -0.182 21.14 + H2S 1.683e-08 1.830e-08 -7.774 -7.737 0.036 36.27 + S-2 1.592e-13 3.838e-14 -12.798 -13.416 -0.618 (0) + (H2S)2 1.624e-17 1.765e-17 -16.789 -16.753 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -163874,13 +163020,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -163892,21 +163038,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -163930,7 +163076,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.627e-11 Surface + diffuse layer charge, eq + -9.655e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -163940,7 +163086,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -163949,10 +163095,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 1.0579e-23 - I 7.7601e-37 + Hto 1.0576e-23 + I 7.7610e-37 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -163974,7 +163120,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.965e-23 1.056e-23 + Hto 8.962e-23 1.056e-23 I 6.587e-24 7.760e-25 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -163985,18 +163131,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.059e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -164010,35 +163156,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.476e-11 - CH4 3.476e-11 3.780e-11 -10.459 -10.423 0.036 35.46 +C(-4) 3.575e-11 + CH4 3.575e-11 3.887e-11 -10.447 -10.410 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.993e-11 - H2 9.966e-12 1.084e-11 -11.001 -10.965 0.036 28.61 -Hto 8.965e-23 - Hto 8.965e-23 8.965e-23 -22.047 -22.047 0.000 (0) +H(0) 2.007e-11 + H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +Hto 8.962e-23 + Hto 8.962e-23 8.962e-23 -22.048 -22.048 0.000 (0) I 6.587e-24 I- 6.587e-24 6.587e-24 -23.181 -23.181 -0.000 (0) K 1.540e-03 @@ -164051,19 +163197,18 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.495 -70.458 0.036 30.40 -S(-2) 5.447e-08 - HS- 3.810e-08 2.508e-08 -7.419 -7.601 -0.182 21.14 - H2S 1.637e-08 1.780e-08 -7.786 -7.750 0.036 36.27 - S-2 1.548e-13 3.732e-14 -12.810 -13.428 -0.618 (0) - (H2S)2 1.535e-17 1.669e-17 -16.814 -16.777 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 +S(-2) 5.601e-08 + HS- 3.918e-08 2.579e-08 -7.407 -7.589 -0.182 21.14 + H2S 1.683e-08 1.830e-08 -7.774 -7.737 0.036 36.27 + S-2 1.592e-13 3.838e-14 -12.798 -13.416 -0.618 (0) + (H2S)2 1.624e-17 1.765e-17 -16.789 -16.753 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -164072,13 +163217,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -164090,21 +163235,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -164134,18 +163279,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -164159,8 +163304,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -164184,8 +163329,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -164205,16 +163350,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -164241,21 +163385,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -164283,18 +163427,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -164308,8 +163452,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -164333,8 +163477,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -164354,16 +163498,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -164390,21 +163533,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -164429,7 +163572,7 @@ Kinetics 3. C 2.744e-03 1.372e-03 Ca 2.590e-02 1.295e-02 Cl 3.000e-01 1.500e-01 - Hto 5.405e-07 2.703e-07 + Hto 5.406e-07 2.703e-07 I 7.170e-07 3.585e-07 K 1.540e-03 7.700e-04 Mg 1.720e-02 8.600e-03 @@ -164441,18 +163584,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.036 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.034 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.011e-12 + Electrical balance (eq) = -9.696e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -164464,17 +163607,17 @@ Kinetics 3. Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 - H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 + H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.348e-12 - CH4 2.348e-12 2.553e-12 -11.629 -11.593 0.036 35.46 +C(-4) 2.264e-12 + CH4 2.264e-12 2.462e-12 -11.645 -11.609 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.600e-07 -5.471 -6.066 -0.594 -1.53 @@ -164485,16 +163628,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.007e-06 9.792e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 1.016e-11 - H2 5.079e-12 5.522e-12 -11.294 -11.258 0.036 28.61 -Hto 5.405e-07 - Hto 5.405e-07 5.405e-07 -6.267 -6.267 0.000 (0) +H(0) 1.007e-11 + H2 5.033e-12 5.472e-12 -11.298 -11.262 0.036 28.61 +Hto 5.406e-07 + Hto 5.406e-07 5.406e-07 -6.267 -6.267 0.000 (0) I 7.170e-07 I- 7.170e-07 7.170e-07 -6.144 -6.144 -0.000 (0) K 1.540e-03 @@ -164512,16 +163655,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.058e-07 Nat+ 3.058e-07 3.058e-07 -6.515 -6.515 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.909 -69.873 0.036 30.40 -S(-2) 3.682e-09 - HS- 2.574e-09 1.695e-09 -8.589 -8.771 -0.182 21.14 - H2S 1.108e-09 1.204e-09 -8.956 -8.919 0.036 36.27 - S-2 1.045e-14 2.518e-15 -13.981 -14.599 -0.618 (0) - (H2S)2 7.028e-20 7.641e-20 -19.153 -19.117 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.901 -69.865 0.036 30.40 +S(-2) 3.549e-09 + HS- 2.482e-09 1.634e-09 -8.605 -8.787 -0.182 21.14 + H2S 1.068e-09 1.161e-09 -8.972 -8.935 0.036 36.27 + S-2 1.007e-14 2.428e-15 -13.997 -14.615 -0.618 (0) + (H2S)2 6.532e-20 7.102e-20 -19.185 -19.149 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -164548,21 +163690,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.79 -11.59 -2.80 CH4 + CH4(g) -8.81 -11.61 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.16 -11.26 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.92 -15.86 -7.94 H2S + H2S(g) -7.94 -15.88 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.98 -69.87 -2.89 O2 + O2(g) -66.97 -69.87 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.69 -0.81 4.88 S + Sulfur -5.71 -0.82 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -164586,7 +163728,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.774e-14 Surface + diffuse layer charge, eq + -4.741e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -164596,7 +163738,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -164643,18 +163785,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.096 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.095 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.947e-09 + Electrical balance (eq) = 1.680e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -164668,8 +163810,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.036e-12 - CH4 7.036e-12 7.649e-12 -11.153 -11.116 0.036 35.46 +C(-4) 6.956e-12 + CH4 6.956e-12 7.563e-12 -11.158 -11.121 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -164681,7 +163823,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -164693,8 +163835,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.337e-11 - H2 6.683e-12 7.266e-12 -11.175 -11.139 0.036 28.61 +H(0) 1.333e-11 + H2 6.664e-12 7.245e-12 -11.176 -11.140 0.036 28.61 Hto 4.667e-07 Hto 4.667e-07 4.667e-07 -6.331 -6.331 0.000 (0) I 6.213e-07 @@ -164714,16 +163856,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.725e-07 Nat+ 2.725e-07 2.725e-07 -6.565 -6.565 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.148 -70.111 0.036 30.40 -S(-2) 1.103e-08 - HS- 7.711e-09 5.076e-09 -8.113 -8.294 -0.182 21.14 - H2S 3.317e-09 3.607e-09 -8.479 -8.443 0.036 36.27 - S-2 3.130e-14 7.545e-15 -13.504 -14.122 -0.618 (0) - (H2S)2 6.305e-19 6.854e-19 -18.200 -18.164 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.145 -70.109 0.036 30.40 +S(-2) 1.090e-08 + HS- 7.624e-09 5.019e-09 -8.118 -8.299 -0.182 21.14 + H2S 3.280e-09 3.566e-09 -8.484 -8.448 0.036 36.27 + S-2 3.095e-14 7.460e-15 -13.509 -14.127 -0.618 (0) + (H2S)2 6.163e-19 6.701e-19 -18.210 -18.174 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -164738,7 +163879,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -164750,21 +163891,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.31 -11.12 -2.80 CH4 + CH4(g) -8.32 -11.12 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.04 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.45 -15.38 -7.94 H2S + H2S(g) -7.45 -15.39 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.22 -70.11 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.34 -0.45 4.88 S + Sulfur -5.34 -0.46 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -164788,7 +163929,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.422e-11 Surface + diffuse layer charge, eq + -9.419e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -164798,7 +163939,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -164810,11 +163951,11 @@ Su Cl 4.6620e-10 H 1.2949e-04 Hto 3.3596e-08 - I 4.1015e-20 + I 4.1008e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.5143e-08 + Nat 8.5142e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -164846,18 +163987,18 @@ Su pH = 7.090 Charge balance pe = -3.165 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.493e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.137e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -164870,15 +164011,15 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.492e-11 - CH4 2.492e-11 2.710e-11 -10.603 -10.567 0.036 35.46 +C(-4) 2.493e-11 + CH4 2.493e-11 2.710e-11 -10.603 -10.567 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.947e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.382e-06 8.609e-07 -5.471 -6.065 -0.594 -1.53 @@ -164889,14 +164030,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.016e-06 9.803e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.016e-06 9.802e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.789e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.951e-09 5.640e-09 -8.403 -8.249 0.155 (0) H(0) 1.834e-11 - H2 9.169e-12 9.969e-12 -11.038 -11.001 0.036 28.61 + H2 9.170e-12 9.970e-12 -11.038 -11.001 0.036 28.61 Hto 2.847e-07 Hto 2.847e-07 2.847e-07 -6.546 -6.546 0.000 (0) I 3.481e-07 @@ -164916,16 +164057,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.449e-07 Nat+ 1.449e-07 1.449e-07 -6.839 -6.839 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.422 -70.386 0.036 30.40 -S(-2) 3.905e-08 - HS- 2.731e-08 1.798e-08 -7.564 -7.745 -0.182 21.14 + O2 0.000e+00 0.000e+00 -70.423 -70.386 0.036 30.40 +S(-2) 3.907e-08 + HS- 2.732e-08 1.799e-08 -7.564 -7.745 -0.182 21.14 H2S 1.174e-08 1.277e-08 -7.930 -7.894 0.036 36.27 - S-2 1.109e-13 2.674e-14 -12.955 -13.573 -0.618 (0) - (H2S)2 7.898e-18 8.587e-18 -17.102 -17.066 0.036 30.09 + S-2 1.110e-13 2.675e-14 -12.955 -13.573 -0.618 (0) + (H2S)2 7.903e-18 8.592e-18 -17.102 -17.066 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -164990,7 +164130,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.665e-11 Surface + diffuse layer charge, eq + -9.668e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -165000,7 +164140,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -165012,11 +164152,11 @@ Su Cl 4.6607e-10 H 1.2950e-04 Hto 1.6550e-08 - I 1.8228e-20 + I 1.8231e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2175e-08 + Nat 3.2174e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -165048,17 +164188,17 @@ Su pH = 7.091 Charge balance pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.156e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -165072,17 +164212,17 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.203e-11 - CH4 3.203e-11 3.483e-11 -10.494 -10.458 0.036 35.46 +C(-4) 3.234e-11 + CH4 3.234e-11 3.516e-11 -10.490 -10.454 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.611e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.538e-08 7.108e-08 -7.185 -7.148 0.036 -14.13 @@ -165091,14 +164231,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.805e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.019e-06 9.806e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.953e-11 - H2 9.764e-12 1.062e-11 -11.010 -10.974 0.036 28.61 +H(0) 1.957e-11 + H2 9.787e-12 1.064e-11 -11.009 -10.973 0.036 28.61 Hto 1.403e-07 Hto 1.403e-07 1.403e-07 -6.853 -6.853 0.000 (0) I 1.547e-07 @@ -165112,22 +164252,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 MgOH+ 2.899e-07 2.127e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 5.475e-08 Nat+ 5.475e-08 5.475e-08 -7.262 -7.262 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.477 -70.441 0.036 30.40 -S(-2) 5.019e-08 - HS- 3.511e-08 2.311e-08 -7.455 -7.636 -0.182 21.14 - H2S 1.509e-08 1.640e-08 -7.821 -7.785 0.036 36.27 - S-2 1.426e-13 3.438e-14 -12.846 -13.464 -0.618 (0) - (H2S)2 1.304e-17 1.418e-17 -16.885 -16.848 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.479 -70.443 0.036 30.40 +S(-2) 5.067e-08 + HS- 3.544e-08 2.333e-08 -7.450 -7.632 -0.182 21.14 + H2S 1.523e-08 1.656e-08 -7.817 -7.781 0.036 36.27 + S-2 1.440e-13 3.471e-14 -12.842 -13.460 -0.618 (0) + (H2S)2 1.329e-17 1.445e-17 -16.876 -16.840 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -165137,7 +164276,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.555e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.066e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -165154,14 +164293,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.66 -10.46 -2.80 CH4 + CH4(g) -7.65 -10.45 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.79 -14.73 -7.94 H2S + H2S(g) -6.79 -14.72 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -165192,7 +164331,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.692e-11 Surface + diffuse layer charge, eq + -9.710e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -165202,7 +164341,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -165211,14 +164350,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 6.6740e-09 - I 6.5405e-21 + Hto 6.6739e-09 + I 6.5397e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1812e-09 + Nat 9.1807e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -165242,25 +164381,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.562e-08 1.841e-09 + Nat 1.562e-08 1.840e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.184 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.161e-09 + Electrical balance (eq) = -1.512e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -165274,35 +164413,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.462e-11 - CH4 3.462e-11 3.764e-11 -10.461 -10.424 0.036 35.46 +C(-4) 3.526e-11 + CH4 3.526e-11 3.834e-11 -10.453 -10.416 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.991e-11 - H2 9.956e-12 1.082e-11 -11.002 -10.966 0.036 28.61 +H(0) 2.000e-11 + H2 1.000e-11 1.087e-11 -11.000 -10.964 0.036 28.61 Hto 5.656e-08 - Hto 5.656e-08 5.656e-08 -7.247 -7.247 0.000 (0) + Hto 5.656e-08 5.656e-08 -7.248 -7.248 0.000 (0) I 5.551e-08 I- 5.551e-08 5.551e-08 -7.256 -7.256 -0.000 (0) K 1.540e-03 @@ -165315,21 +164454,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.562e-08 Nat+ 1.562e-08 1.562e-08 -7.806 -7.806 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.494 -70.458 0.036 30.40 -S(-2) 5.424e-08 - HS- 3.794e-08 2.498e-08 -7.421 -7.602 -0.182 21.14 - H2S 1.630e-08 1.773e-08 -7.788 -7.751 0.036 36.27 - S-2 1.542e-13 3.716e-14 -12.812 -13.430 -0.618 (0) - (H2S)2 1.523e-17 1.656e-17 -16.817 -16.781 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.498 -70.462 0.036 30.40 +S(-2) 5.525e-08 + HS- 3.864e-08 2.544e-08 -7.413 -7.595 -0.182 21.14 + H2S 1.661e-08 1.805e-08 -7.780 -7.743 0.036 36.27 + S-2 1.570e-13 3.785e-14 -12.804 -13.422 -0.618 (0) + (H2S)2 1.580e-17 1.718e-17 -16.801 -16.765 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -165344,7 +164482,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -165356,21 +164494,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.97 -3.10 H2 + H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.75 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.81 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -165394,7 +164532,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.677e-11 Surface + diffuse layer charge, eq + -9.704e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -165404,7 +164542,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -165413,14 +164551,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6600e-10 H 1.2950e-04 - Hto 2.2376e-09 - I 1.9286e-21 + Hto 2.2375e-09 + I 1.9290e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0676e-09 + Nat 2.0675e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -165451,18 +164589,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.158e-09 + Electrical balance (eq) = -1.509e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -165476,8 +164614,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.542e-11 - CH4 3.542e-11 3.851e-11 -10.451 -10.414 0.036 35.46 +C(-4) 3.627e-11 + CH4 3.627e-11 3.944e-11 -10.440 -10.404 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -165486,10 +164624,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -165497,12 +164635,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.003e-11 - H2 1.001e-11 1.089e-11 -10.999 -10.963 0.036 28.61 +H(0) 2.014e-11 + H2 1.007e-11 1.095e-11 -10.997 -10.961 0.036 28.61 Hto 1.896e-08 Hto 1.896e-08 1.896e-08 -7.722 -7.722 0.000 (0) I 1.637e-08 @@ -165516,22 +164654,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 3.518e-09 Nat+ 3.518e-09 3.518e-09 -8.454 -8.454 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.499 -70.463 0.036 30.40 -S(-2) 5.549e-08 - HS- 3.881e-08 2.555e-08 -7.411 -7.593 -0.182 21.14 - H2S 1.668e-08 1.813e-08 -7.778 -7.742 0.036 36.27 - S-2 1.577e-13 3.802e-14 -12.802 -13.420 -0.618 (0) - (H2S)2 1.594e-17 1.733e-17 -16.798 -16.761 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.504 -70.468 0.036 30.40 +S(-2) 5.683e-08 + HS- 3.975e-08 2.617e-08 -7.401 -7.582 -0.182 21.14 + H2S 1.708e-08 1.857e-08 -7.767 -7.731 0.036 36.27 + S-2 1.615e-13 3.894e-14 -12.792 -13.410 -0.618 (0) + (H2S)2 1.672e-17 1.817e-17 -16.777 -16.741 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -165540,13 +164677,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -165558,21 +164695,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.68 -7.94 H2S + H2S(g) -6.74 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -165596,7 +164733,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.663e-11 Surface + diffuse layer charge, eq + -9.691e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -165606,7 +164743,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -165615,14 +164752,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 6.3284e-10 - I 4.7594e-22 + Hto 6.3281e-10 + I 4.7584e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.7937e-10 + Nat 3.7933e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -165646,25 +164783,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.455e-10 7.605e-11 + Nat 6.455e-10 7.604e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.156e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -165678,8 +164815,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.555e-11 - CH4 3.555e-11 3.865e-11 -10.449 -10.413 0.036 35.46 +C(-4) 3.650e-11 + CH4 3.650e-11 3.969e-11 -10.438 -10.401 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -165688,10 +164825,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -165699,12 +164836,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.004e-11 - H2 1.002e-11 1.090e-11 -10.999 -10.963 0.036 28.61 +H(0) 2.018e-11 + H2 1.009e-11 1.097e-11 -10.996 -10.960 0.036 28.61 Hto 5.363e-09 Hto 5.363e-09 5.363e-09 -8.271 -8.271 0.000 (0) I 4.039e-09 @@ -165718,22 +164855,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 6.455e-10 Nat+ 6.455e-10 6.455e-10 -9.190 -9.190 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.500 -70.463 0.036 30.40 -S(-2) 5.570e-08 - HS- 3.896e-08 2.565e-08 -7.409 -7.591 -0.182 21.14 - H2S 1.674e-08 1.820e-08 -7.776 -7.740 0.036 36.27 - S-2 1.583e-13 3.817e-14 -12.800 -13.418 -0.618 (0) - (H2S)2 1.606e-17 1.746e-17 -16.794 -16.758 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.505 -70.469 0.036 30.40 +S(-2) 5.719e-08 + HS- 4.000e-08 2.633e-08 -7.398 -7.580 -0.182 21.14 + H2S 1.719e-08 1.869e-08 -7.765 -7.728 0.036 36.27 + S-2 1.626e-13 3.918e-14 -12.789 -13.407 -0.618 (0) + (H2S)2 1.693e-17 1.840e-17 -16.771 -16.735 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -165742,13 +164878,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -165760,21 +164896,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -165798,7 +164934,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.653e-11 Surface + diffuse layer charge, eq + -9.681e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -165808,7 +164944,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -165817,14 +164953,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6602e-10 + Cl 4.6600e-10 H 1.2950e-04 - Hto 1.5292e-10 + Hto 1.5291e-10 I 9.9714e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.8057e-11 + Nat 5.8049e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -165848,25 +164984,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.879e-11 1.164e-11 + Nat 9.878e-11 1.164e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.154e-09 + Electrical balance (eq) = -1.506e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -165880,8 +165016,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.541e-11 - CH4 3.541e-11 3.849e-11 -10.451 -10.415 0.036 35.46 +C(-4) 3.638e-11 + CH4 3.638e-11 3.956e-11 -10.439 -10.403 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -165890,10 +165026,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -165901,12 +165037,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.002e-11 - H2 1.001e-11 1.088e-11 -10.999 -10.963 0.036 28.61 +H(0) 2.016e-11 + H2 1.008e-11 1.096e-11 -10.997 -10.960 0.036 28.61 Hto 1.296e-09 Hto 1.296e-09 1.296e-09 -8.887 -8.887 0.000 (0) I 8.463e-10 @@ -165920,22 +165056,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.879e-11 - Nat+ 9.879e-11 9.879e-11 -10.005 -10.005 -0.000 (0) +Nat 9.878e-11 + Nat+ 9.878e-11 9.878e-11 -10.005 -10.005 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.499 -70.462 0.036 30.40 -S(-2) 5.547e-08 - HS- 3.880e-08 2.554e-08 -7.411 -7.593 -0.182 21.14 - H2S 1.667e-08 1.813e-08 -7.778 -7.742 0.036 36.27 - S-2 1.577e-13 3.801e-14 -12.802 -13.420 -0.618 (0) - (H2S)2 1.593e-17 1.732e-17 -16.798 -16.762 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.505 -70.468 0.036 30.40 +S(-2) 5.700e-08 + HS- 3.987e-08 2.625e-08 -7.399 -7.581 -0.182 21.14 + H2S 1.713e-08 1.863e-08 -7.766 -7.730 0.036 36.27 + S-2 1.620e-13 3.906e-14 -12.790 -13.408 -0.618 (0) + (H2S)2 1.682e-17 1.828e-17 -16.774 -16.738 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -165944,13 +165079,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -165962,21 +165097,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.68 -7.94 H2S + H2S(g) -6.74 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -166000,7 +165135,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.641e-11 Surface + diffuse layer charge, eq + -9.670e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -166010,7 +165145,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -166019,14 +165154,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6602e-10 + Cl 4.6600e-10 H 1.2950e-04 - Hto 3.1917e-11 + Hto 3.1915e-11 I 1.7959e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.5424e-12 + Nat 7.5412e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -166045,7 +165180,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.705e-10 3.187e-11 + Hto 2.705e-10 3.186e-11 I 1.524e-10 1.796e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -166057,18 +165192,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.381e-10 + Electrical balance (eq) = -9.912e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -166082,33 +165217,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.515e-11 - CH4 3.515e-11 3.821e-11 -10.454 -10.418 0.036 35.46 +C(-4) 3.613e-11 + CH4 3.613e-11 3.928e-11 -10.442 -10.406 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.999e-11 - H2 9.993e-12 1.086e-11 -11.000 -10.964 0.036 28.61 +H(0) 2.013e-11 + H2 1.006e-11 1.094e-11 -10.997 -10.961 0.036 28.61 Hto 2.705e-10 Hto 2.705e-10 2.705e-10 -9.568 -9.568 0.000 (0) I 1.524e-10 @@ -166123,21 +165258,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.283e-11 Nat+ 1.283e-11 1.283e-11 -10.892 -10.892 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.497 -70.461 0.036 30.40 -S(-2) 5.507e-08 - HS- 3.851e-08 2.535e-08 -7.414 -7.596 -0.182 21.14 - H2S 1.655e-08 1.799e-08 -7.781 -7.745 0.036 36.27 - S-2 1.565e-13 3.773e-14 -12.805 -13.423 -0.618 (0) - (H2S)2 1.569e-17 1.706e-17 -16.804 -16.768 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.503 -70.467 0.036 30.40 +S(-2) 5.661e-08 + HS- 3.959e-08 2.607e-08 -7.402 -7.584 -0.182 21.14 + H2S 1.701e-08 1.850e-08 -7.769 -7.733 0.036 36.27 + S-2 1.609e-13 3.879e-14 -12.793 -13.411 -0.618 (0) + (H2S)2 1.658e-17 1.803e-17 -16.780 -16.744 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -166146,13 +165280,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -166164,21 +165298,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.60 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.69 -7.94 H2S + H2S(g) -6.74 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.57 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -166202,7 +165336,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.633e-11 Surface + diffuse layer charge, eq + -9.661e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -166212,7 +165346,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -166221,14 +165355,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6602e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 5.8060e-12 - I 2.8095e-24 + Hto 5.8055e-12 + I 2.8091e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.4324e-13 + Nat 8.4308e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -166247,7 +165381,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.920e-11 5.797e-12 + Hto 4.920e-11 5.796e-12 I 2.384e-11 2.809e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -166259,18 +165393,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.886e-10 + Electrical balance (eq) = -9.397e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -166284,33 +165418,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.494e-11 - CH4 3.494e-11 3.799e-11 -10.457 -10.420 0.036 35.46 +C(-4) 3.592e-11 + CH4 3.592e-11 3.906e-11 -10.445 -10.408 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.996e-11 - H2 9.978e-12 1.085e-11 -11.001 -10.965 0.036 28.61 +H(0) 2.010e-11 + H2 1.005e-11 1.092e-11 -10.998 -10.962 0.036 28.61 Hto 4.920e-11 Hto 4.920e-11 4.920e-11 -10.308 -10.308 0.000 (0) I 2.384e-11 @@ -166325,21 +165459,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.435e-12 Nat+ 1.435e-12 1.435e-12 -11.843 -11.843 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.496 -70.460 0.036 30.40 -S(-2) 5.474e-08 - HS- 3.829e-08 2.520e-08 -7.417 -7.599 -0.182 21.14 - H2S 1.645e-08 1.789e-08 -7.784 -7.747 0.036 36.27 - S-2 1.556e-13 3.750e-14 -12.808 -13.426 -0.618 (0) - (H2S)2 1.551e-17 1.686e-17 -16.809 -16.773 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.502 -70.466 0.036 30.40 +S(-2) 5.629e-08 + HS- 3.937e-08 2.592e-08 -7.405 -7.586 -0.182 21.14 + H2S 1.692e-08 1.839e-08 -7.772 -7.735 0.036 36.27 + S-2 1.600e-13 3.856e-14 -12.796 -13.414 -0.618 (0) + (H2S)2 1.640e-17 1.783e-17 -16.785 -16.749 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -166348,13 +165481,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -166366,21 +165499,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.57 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.81 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -166404,7 +165537,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.629e-11 Surface + diffuse layer charge, eq + -9.657e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -166414,7 +165547,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -166423,14 +165556,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6603e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 9.2750e-13 - I 3.8476e-25 + Hto 9.2739e-13 + I 3.8481e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.1996e-14 + Nat 8.1979e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -166449,30 +165582,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.860e-12 9.260e-13 + Hto 7.859e-12 9.259e-13 I 3.266e-12 3.848e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.395e-13 1.644e-14 + Nat 1.395e-13 1.643e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.044e-09 + Electrical balance (eq) = -1.395e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -166486,35 +165619,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.485e-11 - CH4 3.485e-11 3.789e-11 -10.458 -10.421 0.036 35.46 +C(-4) 3.584e-11 + CH4 3.584e-11 3.897e-11 -10.446 -10.409 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.994e-11 - H2 9.972e-12 1.084e-11 -11.001 -10.965 0.036 28.61 -Hto 7.860e-12 - Hto 7.860e-12 7.860e-12 -11.105 -11.105 0.000 (0) +H(0) 2.008e-11 + H2 1.004e-11 1.092e-11 -10.998 -10.962 0.036 28.61 +Hto 7.859e-12 + Hto 7.859e-12 7.859e-12 -11.105 -11.105 0.000 (0) I 3.266e-12 I- 3.266e-12 3.266e-12 -11.486 -11.486 -0.000 (0) K 1.540e-03 @@ -166527,21 +165660,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.395e-13 Nat+ 1.395e-13 1.395e-13 -12.855 -12.855 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.495 -70.459 0.036 30.40 -S(-2) 5.461e-08 - HS- 3.820e-08 2.514e-08 -7.418 -7.600 -0.182 21.14 - H2S 1.641e-08 1.785e-08 -7.785 -7.748 0.036 36.27 - S-2 1.552e-13 3.741e-14 -12.809 -13.427 -0.618 (0) - (H2S)2 1.543e-17 1.678e-17 -16.811 -16.775 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 +S(-2) 5.615e-08 + HS- 3.928e-08 2.586e-08 -7.406 -7.587 -0.182 21.14 + H2S 1.688e-08 1.835e-08 -7.773 -7.736 0.036 36.27 + S-2 1.596e-13 3.847e-14 -12.797 -13.415 -0.618 (0) + (H2S)2 1.632e-17 1.774e-17 -16.787 -16.751 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -166550,13 +165682,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -166568,21 +165700,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.57 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -166606,7 +165738,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.628e-11 Surface + diffuse layer charge, eq + -9.657e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -166616,7 +165748,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -166625,14 +165757,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6602e-10 + Cl 4.6601e-10 H 1.2950e-04 - Hto 1.3093e-13 - I 4.6473e-26 + Hto 1.3091e-13 + I 4.6467e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.9935e-15 + Nat 6.9918e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -166651,7 +165783,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.110e-12 1.307e-13 + Hto 1.109e-12 1.307e-13 I 3.944e-13 4.647e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -166663,18 +165795,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.058e-09 + Electrical balance (eq) = -1.410e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -166688,35 +165820,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.491e-11 - CH4 3.491e-11 3.795e-11 -10.457 -10.421 0.036 35.46 +C(-4) 3.589e-11 + CH4 3.589e-11 3.902e-11 -10.445 -10.409 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.995e-11 - H2 9.976e-12 1.085e-11 -11.001 -10.965 0.036 28.61 -Hto 1.110e-12 - Hto 1.110e-12 1.110e-12 -11.955 -11.955 0.000 (0) +H(0) 2.009e-11 + H2 1.005e-11 1.092e-11 -10.998 -10.962 0.036 28.61 +Hto 1.109e-12 + Hto 1.109e-12 1.109e-12 -11.955 -11.955 0.000 (0) I 3.944e-13 I- 3.944e-13 3.944e-13 -12.404 -12.404 -0.000 (0) K 1.540e-03 @@ -166729,21 +165861,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.190e-14 - Nat+ 1.190e-14 1.190e-14 -13.924 -13.924 -0.000 (0) + Nat+ 1.190e-14 1.190e-14 -13.925 -13.925 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.496 -70.459 0.036 30.40 -S(-2) 5.469e-08 - HS- 3.825e-08 2.518e-08 -7.417 -7.599 -0.182 21.14 - H2S 1.644e-08 1.787e-08 -7.784 -7.748 0.036 36.27 - S-2 1.554e-13 3.747e-14 -12.808 -13.426 -0.618 (0) - (H2S)2 1.548e-17 1.683e-17 -16.810 -16.774 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.502 -70.465 0.036 30.40 +S(-2) 5.624e-08 + HS- 3.933e-08 2.589e-08 -7.405 -7.587 -0.182 21.14 + H2S 1.690e-08 1.838e-08 -7.772 -7.736 0.036 36.27 + S-2 1.598e-13 3.853e-14 -12.796 -13.414 -0.618 (0) + (H2S)2 1.637e-17 1.779e-17 -16.786 -16.750 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -166752,13 +165883,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.538e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -166770,21 +165901,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.69 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.57 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.07 4.88 S + Sulfur -4.81 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -166808,7 +165939,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.636e-11 Surface + diffuse layer charge, eq + -9.664e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -166818,7 +165949,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -166827,14 +165958,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6602e-10 + Cl 4.6600e-10 H 1.2950e-04 - Hto 1.6416e-14 - I 4.9761e-27 + Hto 1.6413e-14 + I 4.9753e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.2671e-16 + Nat 5.2657e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -166858,25 +165989,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.963e-16 1.056e-16 + Nat 8.960e-16 1.056e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.328e-10 + Electrical balance (eq) = 8.155e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -166890,33 +166021,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.511e-11 - CH4 3.511e-11 3.817e-11 -10.455 -10.418 0.036 35.46 +C(-4) 3.610e-11 + CH4 3.610e-11 3.925e-11 -10.443 -10.406 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.894 -8.858 0.036 68.87 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.998e-11 - H2 9.991e-12 1.086e-11 -11.000 -10.964 0.036 28.61 +H(0) 2.012e-11 + H2 1.006e-11 1.094e-11 -10.997 -10.961 0.036 28.61 Hto 1.391e-13 Hto 1.391e-13 1.391e-13 -12.857 -12.857 0.000 (0) I 4.223e-14 @@ -166931,21 +166062,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.899e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 8.963e-16 - Nat+ 8.963e-16 8.963e-16 -15.048 -15.048 -0.000 (0) +Nat 8.960e-16 + Nat+ 8.960e-16 8.960e-16 -15.048 -15.048 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.497 -70.461 0.036 30.40 -S(-2) 5.501e-08 - HS- 3.848e-08 2.533e-08 -7.415 -7.596 -0.182 21.14 - H2S 1.653e-08 1.798e-08 -7.782 -7.745 0.036 36.27 - S-2 1.564e-13 3.769e-14 -12.806 -13.424 -0.618 (0) - (H2S)2 1.566e-17 1.703e-17 -16.805 -16.769 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.503 -70.467 0.036 30.40 +S(-2) 5.656e-08 + HS- 3.956e-08 2.604e-08 -7.403 -7.584 -0.182 21.14 + H2S 1.700e-08 1.848e-08 -7.770 -7.733 0.036 36.27 + S-2 1.608e-13 3.875e-14 -12.794 -13.412 -0.618 (0) + (H2S)2 1.655e-17 1.800e-17 -16.781 -16.745 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -166954,8 +166084,8 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -166972,21 +166102,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.42 -2.80 CH4 + CH4(g) -7.60 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.69 -7.94 H2S + H2S(g) -6.74 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.57 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -167010,7 +166140,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.645e-11 Surface + diffuse layer charge, eq + -9.673e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -167020,7 +166150,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -167029,14 +166159,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6602e-10 + Cl 4.6600e-10 H 1.2950e-04 - Hto 1.8358e-15 - I 4.7460e-28 + Hto 1.8355e-15 + I 4.7450e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5216e-17 + Nat 3.5206e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -167060,25 +166190,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.992e-17 7.060e-18 + Nat 5.991e-17 7.058e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.500e-03 + Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.153e-09 + Electrical balance (eq) = -1.504e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -167092,8 +166222,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.542e-11 - CH4 3.542e-11 3.851e-11 -10.451 -10.414 0.036 35.46 +C(-4) 3.640e-11 + CH4 3.640e-11 3.958e-11 -10.439 -10.403 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -167102,10 +166232,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -167113,12 +166243,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.002e-11 - H2 1.001e-11 1.089e-11 -10.999 -10.963 0.036 28.61 +H(0) 2.016e-11 + H2 1.008e-11 1.096e-11 -10.996 -10.960 0.036 28.61 Hto 1.556e-14 Hto 1.556e-14 1.556e-14 -13.808 -13.808 0.000 (0) I 4.028e-15 @@ -167132,22 +166262,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.992e-17 - Nat+ 5.992e-17 5.992e-17 -16.222 -16.222 -0.000 (0) +Nat 5.991e-17 + Nat+ 5.991e-17 5.991e-17 -16.223 -16.223 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.499 -70.462 0.036 30.40 -S(-2) 5.549e-08 - HS- 3.881e-08 2.555e-08 -7.411 -7.593 -0.182 21.14 - H2S 1.668e-08 1.813e-08 -7.778 -7.742 0.036 36.27 - S-2 1.577e-13 3.802e-14 -12.802 -13.420 -0.618 (0) - (H2S)2 1.594e-17 1.733e-17 -16.798 -16.761 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.505 -70.468 0.036 30.40 +S(-2) 5.704e-08 + HS- 3.989e-08 2.626e-08 -7.399 -7.581 -0.182 21.14 + H2S 1.714e-08 1.864e-08 -7.766 -7.730 0.036 36.27 + S-2 1.621e-13 3.908e-14 -12.790 -13.408 -0.618 (0) + (H2S)2 1.684e-17 1.830e-17 -16.774 -16.737 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -167156,13 +166285,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -167174,21 +166303,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.68 -7.94 H2S + H2S(g) -6.74 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -167212,7 +166341,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.653e-11 Surface + diffuse layer charge, eq + -9.681e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -167222,7 +166351,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -167231,14 +166360,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 1.8374e-16 - I 4.0448e-29 + Hto 1.8370e-16 + I 4.0454e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0992e-18 + Nat 2.0985e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -167262,25 +166391,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.572e-18 4.208e-19 + Nat 3.571e-18 4.207e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.506e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -167294,8 +166423,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.564e-11 - CH4 3.564e-11 3.875e-11 -10.448 -10.412 0.036 35.46 +C(-4) 3.663e-11 + CH4 3.663e-11 3.982e-11 -10.436 -10.400 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -167304,10 +166433,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -167319,8 +166448,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.006e-11 - H2 1.003e-11 1.090e-11 -10.999 -10.962 0.036 28.61 +H(0) 2.019e-11 + H2 1.010e-11 1.098e-11 -10.996 -10.959 0.036 28.61 Hto 1.557e-15 Hto 1.557e-15 1.557e-15 -14.808 -14.808 0.000 (0) I 3.433e-16 @@ -167334,22 +166463,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.572e-18 - Nat+ 3.572e-18 3.572e-18 -17.447 -17.447 -0.000 (0) +Nat 3.571e-18 + Nat+ 3.571e-18 3.571e-18 -17.447 -17.447 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.500 -70.464 0.036 30.40 -S(-2) 5.584e-08 - HS- 3.906e-08 2.571e-08 -7.408 -7.590 -0.182 21.14 - H2S 1.678e-08 1.825e-08 -7.775 -7.739 0.036 36.27 - S-2 1.587e-13 3.826e-14 -12.799 -13.417 -0.618 (0) - (H2S)2 1.614e-17 1.755e-17 -16.792 -16.756 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.506 -70.470 0.036 30.40 +S(-2) 5.739e-08 + HS- 4.014e-08 2.642e-08 -7.396 -7.578 -0.182 21.14 + H2S 1.725e-08 1.875e-08 -7.763 -7.727 0.036 36.27 + S-2 1.631e-13 3.932e-14 -12.787 -13.405 -0.618 (0) + (H2S)2 1.704e-17 1.853e-17 -16.768 -16.732 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -167358,13 +166486,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -167376,21 +166504,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -167414,7 +166542,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.655e-11 Surface + diffuse layer charge, eq + -9.684e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -167424,7 +166552,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -167433,14 +166561,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 1.6501e-17 - I 3.0903e-30 + Hto 1.6497e-17 + I 3.0911e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1193e-19 + Nat 1.1189e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -167464,25 +166592,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.905e-19 2.244e-20 + Nat 1.904e-19 2.243e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -167496,8 +166624,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.574e-11 - CH4 3.574e-11 3.886e-11 -10.447 -10.410 0.036 35.46 +C(-4) 3.673e-11 + CH4 3.673e-11 3.993e-11 -10.435 -10.399 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -167506,10 +166634,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -167521,8 +166649,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.007e-11 - H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +H(0) 2.021e-11 + H2 1.010e-11 1.099e-11 -10.996 -10.959 0.036 28.61 Hto 1.398e-16 Hto 1.398e-16 1.398e-16 -15.854 -15.854 0.000 (0) I 2.623e-17 @@ -167536,22 +166664,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.905e-19 - Nat+ 1.905e-19 1.905e-19 -18.720 -18.720 -0.000 (0) +Nat 1.904e-19 + Nat+ 1.904e-19 1.904e-19 -18.720 -18.720 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.501 -70.464 0.036 30.40 -S(-2) 5.600e-08 - HS- 3.917e-08 2.579e-08 -7.407 -7.589 -0.182 21.14 - H2S 1.683e-08 1.830e-08 -7.774 -7.738 0.036 36.27 - S-2 1.592e-13 3.837e-14 -12.798 -13.416 -0.618 (0) - (H2S)2 1.623e-17 1.765e-17 -16.790 -16.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.507 -70.470 0.036 30.40 +S(-2) 5.755e-08 + HS- 4.025e-08 2.650e-08 -7.395 -7.577 -0.182 21.14 + H2S 1.730e-08 1.880e-08 -7.762 -7.726 0.036 36.27 + S-2 1.636e-13 3.943e-14 -12.786 -13.404 -0.618 (0) + (H2S)2 1.714e-17 1.863e-17 -16.766 -16.730 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -167560,13 +166687,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -167578,21 +166705,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -167616,7 +166743,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.656e-11 Surface + diffuse layer charge, eq + -9.684e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -167626,7 +166753,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -167635,14 +166762,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 1.3323e-18 + Hto 1.3320e-18 I 2.1217e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3520e-21 + Nat 5.3499e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -167666,25 +166793,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.107e-21 1.073e-21 + Nat 9.103e-21 1.072e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -167698,8 +166825,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.578e-11 - CH4 3.578e-11 3.890e-11 -10.446 -10.410 0.036 35.46 +C(-4) 3.676e-11 + CH4 3.676e-11 3.997e-11 -10.435 -10.398 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -167708,10 +166835,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -167723,8 +166850,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.008e-11 - H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +H(0) 2.021e-11 + H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 Hto 1.129e-17 Hto 1.129e-17 1.129e-17 -16.947 -16.947 0.000 (0) I 1.801e-18 @@ -167738,22 +166865,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 9.107e-21 - Nat+ 9.107e-21 9.107e-21 -20.041 -20.041 -0.000 (0) +Nat 9.103e-21 + Nat+ 9.103e-21 9.103e-21 -20.041 -20.041 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 -S(-2) 5.605e-08 - HS- 3.921e-08 2.581e-08 -7.407 -7.588 -0.182 21.14 - H2S 1.685e-08 1.832e-08 -7.773 -7.737 0.036 36.27 - S-2 1.593e-13 3.840e-14 -12.798 -13.416 -0.618 (0) - (H2S)2 1.626e-17 1.768e-17 -16.789 -16.753 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 +S(-2) 5.760e-08 + HS- 4.029e-08 2.652e-08 -7.395 -7.576 -0.182 21.14 + H2S 1.731e-08 1.882e-08 -7.762 -7.725 0.036 36.27 + S-2 1.637e-13 3.947e-14 -12.786 -13.404 -0.618 (0) + (H2S)2 1.717e-17 1.867e-17 -16.765 -16.729 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -167762,13 +166888,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -167780,21 +166906,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -167818,7 +166944,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.656e-11 Surface + diffuse layer charge, eq + -9.684e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -167828,7 +166954,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -167837,14 +166963,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 9.6862e-20 + Hto 9.6839e-20 I 1.3104e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2976e-22 + Nat 2.2967e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -167863,30 +166989,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.209e-19 9.671e-20 + Hto 8.207e-19 9.668e-20 I 1.112e-19 1.310e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.910e-22 4.606e-23 + Nat 3.908e-22 4.604e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -167900,8 +167026,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.578e-11 - CH4 3.578e-11 3.890e-11 -10.446 -10.410 0.036 35.46 +C(-4) 3.677e-11 + CH4 3.677e-11 3.998e-11 -10.435 -10.398 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -167910,10 +167036,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -167925,10 +167051,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.008e-11 - H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 -Hto 8.209e-19 - Hto 8.209e-19 8.209e-19 -18.086 -18.086 0.000 (0) +H(0) 2.021e-11 + H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 +Hto 8.207e-19 + Hto 8.207e-19 8.207e-19 -18.086 -18.086 0.000 (0) I 1.112e-19 I- 1.112e-19 1.112e-19 -18.954 -18.954 -0.000 (0) K 1.540e-03 @@ -167940,22 +167066,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 3.910e-22 - Nat+ 3.910e-22 3.910e-22 -21.408 -21.408 -0.000 (0) +Nat 3.908e-22 + Nat+ 3.908e-22 3.908e-22 -21.408 -21.408 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 -S(-2) 5.606e-08 - HS- 3.921e-08 2.581e-08 -7.407 -7.588 -0.182 21.14 - H2S 1.685e-08 1.832e-08 -7.773 -7.737 0.036 36.27 - S-2 1.594e-13 3.841e-14 -12.798 -13.416 -0.618 (0) - (H2S)2 1.627e-17 1.769e-17 -16.789 -16.752 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 +S(-2) 5.761e-08 + HS- 4.029e-08 2.653e-08 -7.395 -7.576 -0.182 21.14 + H2S 1.731e-08 1.882e-08 -7.762 -7.725 0.036 36.27 + S-2 1.638e-13 3.947e-14 -12.786 -13.404 -0.618 (0) + (H2S)2 1.718e-17 1.867e-17 -16.765 -16.729 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -167970,7 +167095,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -167982,21 +167107,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -168020,7 +167145,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.656e-11 Surface + diffuse layer charge, eq + -9.684e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -168030,7 +167155,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -168039,14 +167164,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 6.3458e-21 + Hto 6.3441e-21 I 7.2871e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.7580e-24 + Nat 8.7542e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -168065,30 +167190,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.378e-20 6.336e-21 + Hto 5.376e-20 6.334e-21 I 6.185e-21 7.286e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.490e-23 1.756e-24 + Nat 1.490e-23 1.755e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -168102,8 +167227,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.578e-11 - CH4 3.578e-11 3.891e-11 -10.446 -10.410 0.036 35.46 +C(-4) 3.677e-11 + CH4 3.677e-11 3.998e-11 -10.434 -10.398 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -168112,10 +167237,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -168127,10 +167252,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.008e-11 - H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 -Hto 5.378e-20 - Hto 5.378e-20 5.378e-20 -19.269 -19.269 0.000 (0) +H(0) 2.021e-11 + H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 +Hto 5.376e-20 + Hto 5.376e-20 5.376e-20 -19.270 -19.270 0.000 (0) I 6.185e-21 I- 6.185e-21 6.185e-21 -20.209 -20.209 -0.000 (0) K 1.540e-03 @@ -168142,22 +167267,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.490e-23 Nat+ 1.490e-23 1.490e-23 -22.827 -22.827 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 -S(-2) 5.607e-08 - HS- 3.921e-08 2.582e-08 -7.407 -7.588 -0.182 21.14 - H2S 1.685e-08 1.832e-08 -7.773 -7.737 0.036 36.27 - S-2 1.594e-13 3.841e-14 -12.798 -13.416 -0.618 (0) - (H2S)2 1.627e-17 1.769e-17 -16.789 -16.752 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 +S(-2) 5.761e-08 + HS- 4.030e-08 2.653e-08 -7.395 -7.576 -0.182 21.14 + H2S 1.732e-08 1.883e-08 -7.762 -7.725 0.036 36.27 + S-2 1.638e-13 3.947e-14 -12.786 -13.404 -0.618 (0) + (H2S)2 1.718e-17 1.868e-17 -16.765 -16.729 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -168172,7 +167296,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -168184,21 +167308,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -168222,7 +167346,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.656e-11 Surface + diffuse layer charge, eq + -9.684e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -168232,7 +167356,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -168241,14 +167365,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 3.7472e-22 - I 3.6446e-35 + Hto 3.7462e-22 + I 3.6452e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2859e-25 + Nat 1.2853e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -168267,30 +167391,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.176e-21 3.741e-22 + Hto 3.175e-21 3.740e-22 I 3.094e-22 3.645e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.188e-25 2.578e-26 + Nat 2.187e-25 2.577e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -168304,8 +167428,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.578e-11 - CH4 3.578e-11 3.891e-11 -10.446 -10.410 0.036 35.46 +C(-4) 3.677e-11 + CH4 3.677e-11 3.998e-11 -10.434 -10.398 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -168314,10 +167438,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -168329,10 +167453,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.008e-11 - H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 -Hto 3.176e-21 - Hto 3.176e-21 3.176e-21 -20.498 -20.498 0.000 (0) +H(0) 2.021e-11 + H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 +Hto 3.175e-21 + Hto 3.175e-21 3.175e-21 -20.498 -20.498 0.000 (0) I 3.094e-22 I- 3.094e-22 3.094e-22 -21.510 -21.510 -0.000 (0) K 1.540e-03 @@ -168344,22 +167468,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 2.188e-25 - Nat+ 2.188e-25 2.188e-25 -24.660 -24.660 -0.000 (0) +Nat 2.187e-25 + Nat+ 2.187e-25 2.187e-25 -24.660 -24.660 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 -S(-2) 5.607e-08 - HS- 3.921e-08 2.582e-08 -7.407 -7.588 -0.182 21.14 - H2S 1.685e-08 1.832e-08 -7.773 -7.737 0.036 36.27 - S-2 1.594e-13 3.841e-14 -12.798 -13.416 -0.618 (0) - (H2S)2 1.627e-17 1.769e-17 -16.789 -16.752 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 +S(-2) 5.761e-08 + HS- 4.030e-08 2.653e-08 -7.395 -7.576 -0.182 21.14 + H2S 1.732e-08 1.883e-08 -7.762 -7.725 0.036 36.27 + S-2 1.638e-13 3.947e-14 -12.786 -13.404 -0.618 (0) + (H2S)2 1.718e-17 1.868e-17 -16.765 -16.729 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -168374,7 +167497,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -168386,21 +167509,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -168424,7 +167547,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.656e-11 Surface + diffuse layer charge, eq + -9.684e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -168434,7 +167557,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -168443,10 +167566,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 2.0821e-23 - I 1.6295e-36 + Hto 2.0815e-23 + I 1.6293e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -168468,7 +167591,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.764e-22 2.079e-23 + Hto 1.764e-22 2.078e-23 I 1.383e-23 1.629e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -168479,18 +167602,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.507e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -168504,8 +167627,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.578e-11 - CH4 3.578e-11 3.891e-11 -10.446 -10.410 0.036 35.46 +C(-4) 3.677e-11 + CH4 3.677e-11 3.998e-11 -10.434 -10.398 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -168514,10 +167637,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -168529,10 +167652,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.008e-11 - H2 1.004e-11 1.091e-11 -10.998 -10.962 0.036 28.61 +H(0) 2.021e-11 + H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 Hto 1.764e-22 - Hto 1.764e-22 1.764e-22 -21.753 -21.753 0.000 (0) + Hto 1.764e-22 1.764e-22 -21.754 -21.754 0.000 (0) I 1.383e-23 I- 1.383e-23 1.383e-23 -22.859 -22.859 -0.000 (0) K 1.540e-03 @@ -168544,20 +167667,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.501 -70.465 0.036 30.40 -S(-2) 5.607e-08 - HS- 3.922e-08 2.582e-08 -7.407 -7.588 -0.182 21.14 - H2S 1.685e-08 1.832e-08 -7.773 -7.737 0.036 36.27 - S-2 1.594e-13 3.841e-14 -12.798 -13.416 -0.618 (0) - (H2S)2 1.627e-17 1.769e-17 -16.789 -16.752 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 +S(-2) 5.761e-08 + HS- 4.030e-08 2.653e-08 -7.395 -7.576 -0.182 21.14 + H2S 1.732e-08 1.883e-08 -7.762 -7.725 0.036 36.27 + S-2 1.638e-13 3.947e-14 -12.786 -13.404 -0.618 (0) + (H2S)2 1.718e-17 1.868e-17 -16.765 -16.729 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -168572,7 +167694,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -168584,21 +167706,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -168628,18 +167750,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -168653,8 +167775,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -168678,8 +167800,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -168699,16 +167821,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -168735,21 +167856,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -168777,18 +167898,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -168802,8 +167923,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -168827,8 +167948,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -168848,16 +167969,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -168884,21 +168004,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -168935,18 +168055,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.039 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.038 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.013e-12 + Electrical balance (eq) = -9.722e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -168960,8 +168080,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.497e-12 - CH4 2.497e-12 2.714e-12 -11.603 -11.566 0.036 35.46 +C(-4) 2.412e-12 + CH4 2.412e-12 2.623e-12 -11.618 -11.581 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -168981,12 +168101,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.007e-06 9.793e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 1.032e-11 - H2 5.158e-12 5.608e-12 -11.288 -11.251 0.036 28.61 +H(0) 1.023e-11 + H2 5.114e-12 5.560e-12 -11.291 -11.255 0.036 28.61 Hto 5.368e-07 Hto 5.368e-07 5.368e-07 -6.270 -6.270 0.000 (0) I 7.142e-07 @@ -169006,16 +168126,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 3.028e-07 Nat+ 3.028e-07 3.028e-07 -6.519 -6.519 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.923 -69.886 0.036 30.40 -S(-2) 3.914e-09 - HS- 2.736e-09 1.801e-09 -8.563 -8.744 -0.182 21.14 - H2S 1.177e-09 1.280e-09 -8.929 -8.893 0.036 36.27 - S-2 1.111e-14 2.677e-15 -13.954 -14.572 -0.618 (0) - (H2S)2 7.941e-20 8.634e-20 -19.100 -19.064 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.915 -69.879 0.036 30.40 +S(-2) 3.782e-09 + HS- 2.644e-09 1.741e-09 -8.578 -8.759 -0.182 21.14 + H2S 1.138e-09 1.237e-09 -8.944 -8.908 0.036 36.27 + S-2 1.073e-14 2.587e-15 -13.969 -14.587 -0.618 (0) + (H2S)2 7.415e-20 8.062e-20 -19.130 -19.094 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -169025,7 +168144,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.566e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.067e-09 7.795e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.067e-09 7.796e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -169042,21 +168161,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.76 -11.57 -2.80 CH4 + CH4(g) -8.78 -11.58 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.15 -11.25 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.90 -15.83 -7.94 H2S + H2S(g) -7.91 -15.85 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -66.99 -69.89 -2.89 O2 + O2(g) -66.99 -69.88 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.67 -0.79 4.88 S + Sulfur -5.68 -0.80 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -169080,7 +168199,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.863e-14 Surface + diffuse layer charge, eq + -4.841e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -169090,7 +168209,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -169099,10 +168218,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6652e-10 + Cl 4.6653e-10 H 1.2948e-04 Hto 5.4857e-08 - I 7.3096e-20 + I 7.3110e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -169137,18 +168256,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.098 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.097 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.947e-09 + Electrical balance (eq) = 1.680e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -169162,8 +168281,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.303e-12 - CH4 7.303e-12 7.940e-12 -11.136 -11.100 0.036 35.46 +C(-4) 7.227e-12 + CH4 7.227e-12 7.857e-12 -11.141 -11.105 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -169187,8 +168306,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.349e-11 - H2 6.745e-12 7.334e-12 -11.171 -11.135 0.036 28.61 +H(0) 1.346e-11 + H2 6.728e-12 7.315e-12 -11.172 -11.136 0.036 28.61 Hto 4.649e-07 Hto 4.649e-07 4.649e-07 -6.333 -6.333 0.000 (0) I 6.205e-07 @@ -169208,16 +168327,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.705e-07 Nat+ 2.705e-07 2.705e-07 -6.568 -6.568 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.156 -70.119 0.036 30.40 -S(-2) 1.145e-08 - HS- 8.004e-09 5.269e-09 -8.097 -8.278 -0.182 21.14 - H2S 3.443e-09 3.744e-09 -8.463 -8.427 0.036 36.27 - S-2 3.249e-14 7.832e-15 -13.488 -14.106 -0.618 (0) - (H2S)2 6.793e-19 7.386e-19 -18.168 -18.132 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.153 -70.117 0.036 30.40 +S(-2) 1.133e-08 + HS- 7.921e-09 5.214e-09 -8.101 -8.283 -0.182 21.14 + H2S 3.408e-09 3.705e-09 -8.468 -8.431 0.036 36.27 + S-2 3.215e-14 7.751e-15 -13.493 -14.111 -0.618 (0) + (H2S)2 6.652e-19 7.233e-19 -18.177 -18.141 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -169249,16 +168367,16 @@ Sr 5.000e-04 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.03 -11.13 -3.10 H2 + H2(g) -8.03 -11.14 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.43 -15.37 -7.94 H2S + H2S(g) -7.44 -15.37 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.23 -70.12 -2.89 O2 + O2(g) -67.22 -70.12 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.32 -0.44 4.88 S + Sulfur -5.33 -0.45 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -169282,7 +168400,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.438e-11 Surface + diffuse layer charge, eq + -9.436e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -169292,7 +168410,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -169301,14 +168419,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6618e-10 + Cl 4.6619e-10 H 1.2949e-04 Hto 3.3832e-08 - I 4.1445e-20 + I 4.1438e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.5857e-08 + Nat 8.5856e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -169340,18 +168458,18 @@ Su pH = 7.090 Charge balance pe = -3.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.435e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.043e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -169364,8 +168482,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.551e-11 - CH4 2.551e-11 2.773e-11 -10.593 -10.557 0.036 35.46 +C(-4) 2.553e-11 + CH4 2.553e-11 2.775e-11 -10.593 -10.557 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -169390,7 +168508,7 @@ Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) H(0) 1.845e-11 - H2 9.223e-12 1.003e-11 -11.035 -10.999 0.036 28.61 + H2 9.225e-12 1.003e-11 -11.035 -10.999 0.036 28.61 Hto 2.867e-07 Hto 2.867e-07 2.867e-07 -6.543 -6.543 0.000 (0) I 3.517e-07 @@ -169410,16 +168528,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.680 0.036 (0) Nat 1.461e-07 Nat+ 1.461e-07 1.461e-07 -6.835 -6.835 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.427 -70.391 0.036 30.40 -S(-2) 3.997e-08 - HS- 2.796e-08 1.840e-08 -7.554 -7.735 -0.182 21.14 - H2S 1.202e-08 1.307e-08 -7.920 -7.884 0.036 36.27 - S-2 1.136e-13 2.737e-14 -12.945 -13.563 -0.618 (0) - (H2S)2 8.274e-18 8.996e-18 -17.082 -17.046 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.428 -70.391 0.036 30.40 +S(-2) 4.000e-08 + HS- 2.797e-08 1.842e-08 -7.553 -7.735 -0.182 21.14 + H2S 1.203e-08 1.307e-08 -7.920 -7.884 0.036 36.27 + S-2 1.136e-13 2.739e-14 -12.944 -13.562 -0.618 (0) + (H2S)2 8.285e-18 9.008e-18 -17.082 -17.045 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -169446,7 +168563,7 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.76 -10.56 -2.80 CH4 + CH4(g) -7.75 -10.56 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O @@ -169460,7 +168577,7 @@ Sr 5.000e-04 Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.50 -70.39 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.92 -0.04 4.88 S + Sulfur -4.92 -0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -169484,7 +168601,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.690e-11 Surface + diffuse layer charge, eq + -9.693e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -169494,7 +168611,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -169503,14 +168620,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6606e-10 + Cl 4.6605e-10 H 1.2950e-04 Hto 1.6932e-08 - I 1.8737e-20 + I 1.8741e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3147e-08 + Nat 3.3146e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -169542,17 +168659,17 @@ Su pH = 7.091 Charge balance pe = -3.180 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.253e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -169566,8 +168683,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.286e-11 - CH4 3.286e-11 3.572e-11 -10.483 -10.447 0.036 35.46 +C(-4) 3.316e-11 + CH4 3.316e-11 3.606e-11 -10.479 -10.443 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -169591,8 +168708,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.965e-11 - H2 9.826e-12 1.068e-11 -11.008 -10.971 0.036 28.61 +H(0) 1.970e-11 + H2 9.849e-12 1.071e-11 -11.007 -10.970 0.036 28.61 Hto 1.435e-07 Hto 1.435e-07 1.435e-07 -6.843 -6.843 0.000 (0) I 1.591e-07 @@ -169612,16 +168729,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 5.640e-08 Nat+ 5.640e-08 5.640e-08 -7.249 -7.249 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.483 -70.446 0.036 30.40 -S(-2) 5.148e-08 - HS- 3.600e-08 2.370e-08 -7.444 -7.625 -0.182 21.14 - H2S 1.547e-08 1.682e-08 -7.810 -7.774 0.036 36.27 - S-2 1.463e-13 3.527e-14 -12.835 -13.453 -0.618 (0) - (H2S)2 1.372e-17 1.491e-17 -16.863 -16.826 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.485 -70.448 0.036 30.40 +S(-2) 5.196e-08 + HS- 3.634e-08 2.392e-08 -7.440 -7.621 -0.182 21.14 + H2S 1.562e-08 1.698e-08 -7.806 -7.770 0.036 36.27 + S-2 1.477e-13 3.560e-14 -12.831 -13.449 -0.618 (0) + (H2S)2 1.397e-17 1.519e-17 -16.855 -16.818 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -169648,19 +168764,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.65 -10.45 -2.80 CH4 + CH4(g) -7.64 -10.44 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.78 -14.72 -7.94 H2S + H2S(g) -6.78 -14.71 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.55 -70.45 -2.89 O2 + O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.83 0.05 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -169686,7 +168802,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.721e-11 Surface + diffuse layer charge, eq + -9.739e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -169696,7 +168812,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -169705,14 +168821,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6600e-10 H 1.2950e-04 - Hto 6.9640e-09 - I 6.8648e-21 + Hto 6.9638e-09 + I 6.8631e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.6965e-09 + Nat 9.6960e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -169743,18 +168859,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.185 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.258e-09 + Electrical balance (eq) = -1.609e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -169768,8 +168884,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.556e-11 - CH4 3.556e-11 3.866e-11 -10.449 -10.413 0.036 35.46 +C(-4) 3.620e-11 + CH4 3.620e-11 3.936e-11 -10.441 -10.405 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -169778,10 +168894,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -169793,8 +168909,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.005e-11 - H2 1.002e-11 1.090e-11 -10.999 -10.963 0.036 28.61 +H(0) 2.013e-11 + H2 1.007e-11 1.095e-11 -10.997 -10.961 0.036 28.61 Hto 5.902e-08 Hto 5.902e-08 5.902e-08 -7.229 -7.229 0.000 (0) I 5.826e-08 @@ -169808,22 +168924,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.650e-08 Nat+ 1.650e-08 1.650e-08 -7.783 -7.783 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.500 -70.463 0.036 30.40 -S(-2) 5.572e-08 - HS- 3.897e-08 2.566e-08 -7.409 -7.591 -0.182 21.14 - H2S 1.675e-08 1.821e-08 -7.776 -7.740 0.036 36.27 - S-2 1.584e-13 3.818e-14 -12.800 -13.418 -0.618 (0) - (H2S)2 1.607e-17 1.747e-17 -16.794 -16.758 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.504 -70.467 0.036 30.40 +S(-2) 5.671e-08 + HS- 3.967e-08 2.611e-08 -7.402 -7.583 -0.182 21.14 + H2S 1.705e-08 1.853e-08 -7.768 -7.732 0.036 36.27 + S-2 1.612e-13 3.886e-14 -12.793 -13.411 -0.618 (0) + (H2S)2 1.665e-17 1.810e-17 -16.779 -16.742 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -169832,13 +168947,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -169850,21 +168965,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.68 -7.94 H2S + H2S(g) -6.74 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.46 -2.89 O2 + O2(g) -67.57 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.07 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -169888,7 +169003,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.707e-11 Surface + diffuse layer charge, eq + -9.733e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -169898,7 +169013,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -169907,14 +169022,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6600e-10 + Cl 4.6598e-10 H 1.2950e-04 - Hto 2.3885e-09 + Hto 2.3884e-09 I 2.0737e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2437e-09 + Nat 2.2435e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -169938,25 +169053,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.818e-09 4.498e-10 + Nat 3.818e-09 4.497e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.255e-09 + Electrical balance (eq) = -1.606e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -169968,35 +169083,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.641e-11 - CH4 3.641e-11 3.959e-11 -10.439 -10.402 0.036 35.46 +C(-4) 3.726e-11 + CH4 3.726e-11 4.051e-11 -10.429 -10.392 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.016e-11 - H2 1.008e-11 1.096e-11 -10.996 -10.960 0.036 28.61 +H(0) 2.028e-11 + H2 1.014e-11 1.102e-11 -10.994 -10.958 0.036 28.61 Hto 2.024e-08 Hto 2.024e-08 2.024e-08 -7.694 -7.694 0.000 (0) I 1.760e-08 @@ -170016,16 +169131,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 3.818e-09 Nat+ 3.818e-09 3.818e-09 -8.418 -8.418 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.505 -70.469 0.036 30.40 -S(-2) 5.705e-08 - HS- 3.990e-08 2.627e-08 -7.399 -7.581 -0.182 21.14 - H2S 1.715e-08 1.864e-08 -7.766 -7.730 0.036 36.27 - S-2 1.622e-13 3.909e-14 -12.790 -13.408 -0.618 (0) - (H2S)2 1.684e-17 1.831e-17 -16.774 -16.737 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.510 -70.474 0.036 30.40 +S(-2) 5.838e-08 + HS- 4.083e-08 2.688e-08 -7.389 -7.571 -0.182 21.14 + H2S 1.755e-08 1.908e-08 -7.756 -7.720 0.036 36.27 + S-2 1.659e-13 4.000e-14 -12.780 -13.398 -0.618 (0) + (H2S)2 1.764e-17 1.917e-17 -16.754 -16.717 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -170040,7 +169154,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -170052,21 +169166,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.67 -7.94 H2S + H2S(g) -6.73 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -170090,7 +169204,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.693e-11 Surface + diffuse layer charge, eq + -9.721e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -170100,23 +169214,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6598e-10 H 1.2950e-04 - Hto 6.9280e-10 - I 5.2516e-22 + Hto 6.9277e-10 + I 5.2526e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2372e-10 + Nat 4.2368e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -170135,30 +169249,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.871e-09 6.917e-10 + Hto 5.871e-09 6.916e-10 I 4.458e-09 5.252e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.210e-10 8.494e-11 + Nat 7.209e-10 8.493e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.252e-09 + Electrical balance (eq) = -1.604e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -170169,36 +169283,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.656e-11 - CH4 3.656e-11 3.975e-11 -10.437 -10.401 0.036 35.46 +C(-4) 3.751e-11 + CH4 3.751e-11 4.078e-11 -10.426 -10.390 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.018e-11 - H2 1.009e-11 1.097e-11 -10.996 -10.960 0.036 28.61 +H(0) 2.031e-11 + H2 1.016e-11 1.104e-11 -10.993 -10.957 0.036 28.61 Hto 5.871e-09 Hto 5.871e-09 5.871e-09 -8.231 -8.231 0.000 (0) I 4.458e-09 @@ -170218,16 +169332,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 7.210e-10 - Nat+ 7.210e-10 7.210e-10 -9.142 -9.142 -0.000 (0) +Nat 7.209e-10 + Nat+ 7.209e-10 7.209e-10 -9.142 -9.142 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.506 -70.469 0.036 30.40 -S(-2) 5.728e-08 - HS- 4.007e-08 2.638e-08 -7.397 -7.579 -0.182 21.14 - H2S 1.722e-08 1.872e-08 -7.764 -7.728 0.036 36.27 - S-2 1.628e-13 3.925e-14 -12.788 -13.406 -0.618 (0) - (H2S)2 1.698e-17 1.846e-17 -16.770 -16.734 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.511 -70.475 0.036 30.40 +S(-2) 5.876e-08 + HS- 4.110e-08 2.706e-08 -7.386 -7.568 -0.182 21.14 + H2S 1.766e-08 1.920e-08 -7.753 -7.717 0.036 36.27 + S-2 1.670e-13 4.027e-14 -12.777 -13.395 -0.618 (0) + (H2S)2 1.787e-17 1.943e-17 -16.748 -16.712 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -170242,7 +169355,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -170254,21 +169367,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -170292,7 +169405,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.682e-11 Surface + diffuse layer charge, eq + -9.710e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -170302,23 +169415,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6600e-10 + Cl 4.6598e-10 H 1.2950e-04 - Hto 1.7206e-10 - I 1.1318e-22 + Hto 1.7204e-10 + I 1.1319e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.6843e-11 + Nat 6.6834e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -170349,18 +169462,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.251e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -170371,36 +169484,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.642e-11 - CH4 3.642e-11 3.960e-11 -10.439 -10.402 0.036 35.46 +C(-4) 3.740e-11 + CH4 3.740e-11 4.066e-11 -10.427 -10.391 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.017e-11 - H2 1.008e-11 1.096e-11 -10.996 -10.960 0.036 28.61 +H(0) 2.030e-11 + H2 1.015e-11 1.104e-11 -10.994 -10.957 0.036 28.61 Hto 1.458e-09 Hto 1.458e-09 1.458e-09 -8.836 -8.836 0.000 (0) I 9.608e-10 @@ -170420,16 +169533,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.137e-10 Nat+ 1.137e-10 1.137e-10 -9.944 -9.944 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.505 -70.469 0.036 30.40 -S(-2) 5.706e-08 - HS- 3.991e-08 2.628e-08 -7.399 -7.580 -0.182 21.14 - H2S 1.715e-08 1.865e-08 -7.766 -7.729 0.036 36.27 - S-2 1.622e-13 3.910e-14 -12.790 -13.408 -0.618 (0) - (H2S)2 1.685e-17 1.832e-17 -16.773 -16.737 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.511 -70.474 0.036 30.40 +S(-2) 5.859e-08 + HS- 4.098e-08 2.698e-08 -7.387 -7.569 -0.182 21.14 + H2S 1.761e-08 1.915e-08 -7.754 -7.718 0.036 36.27 + S-2 1.666e-13 4.015e-14 -12.778 -13.396 -0.618 (0) + (H2S)2 1.777e-17 1.932e-17 -16.750 -16.714 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -170444,7 +169556,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -170456,21 +169568,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -170494,7 +169606,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.670e-11 Surface + diffuse layer charge, eq + -9.699e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -170504,23 +169616,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6600e-10 + Cl 4.6598e-10 H 1.2950e-04 - Hto 3.6976e-11 - I 2.1009e-23 + Hto 3.6973e-11 + I 2.1012e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.9640e-12 + Nat 8.9626e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -170539,7 +169651,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.134e-10 3.692e-11 + Hto 3.133e-10 3.691e-11 I 1.783e-10 2.101e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -170551,18 +169663,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.346e-10 + Electrical balance (eq) = -1.088e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -170576,35 +169688,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.617e-11 - CH4 3.617e-11 3.932e-11 -10.442 -10.405 0.036 35.46 +C(-4) 3.715e-11 + CH4 3.715e-11 4.040e-11 -10.430 -10.394 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.013e-11 - H2 1.007e-11 1.094e-11 -10.997 -10.961 0.036 28.61 -Hto 3.134e-10 - Hto 3.134e-10 3.134e-10 -9.504 -9.504 0.000 (0) +H(0) 2.027e-11 + H2 1.013e-11 1.102e-11 -10.994 -10.958 0.036 28.61 +Hto 3.133e-10 + Hto 3.133e-10 3.133e-10 -9.504 -9.504 0.000 (0) I 1.783e-10 I- 1.783e-10 1.783e-10 -9.749 -9.749 -0.000 (0) K 1.540e-03 @@ -170616,22 +169728,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.525e-11 Nat+ 1.525e-11 1.525e-11 -10.817 -10.817 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.503 -70.467 0.036 30.40 -S(-2) 5.667e-08 - HS- 3.964e-08 2.609e-08 -7.402 -7.583 -0.182 21.14 - H2S 1.703e-08 1.852e-08 -7.769 -7.732 0.036 36.27 - S-2 1.611e-13 3.883e-14 -12.793 -13.411 -0.618 (0) - (H2S)2 1.662e-17 1.807e-17 -16.779 -16.743 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.509 -70.473 0.036 30.40 +S(-2) 5.821e-08 + HS- 4.072e-08 2.680e-08 -7.390 -7.572 -0.182 21.14 + H2S 1.750e-08 1.902e-08 -7.757 -7.721 0.036 36.27 + S-2 1.655e-13 3.989e-14 -12.781 -13.399 -0.618 (0) + (H2S)2 1.754e-17 1.907e-17 -16.756 -16.720 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -170646,7 +169757,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -170658,21 +169769,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.41 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.67 -7.94 H2S + H2S(g) -6.73 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.47 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -170696,7 +169807,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.662e-11 Surface + diffuse layer charge, eq + -9.690e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -170706,23 +169817,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 6.9379e-12 + Hto 6.9372e-12 I 3.3919e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0359e-12 + Nat 1.0357e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -170741,30 +169852,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.880e-11 6.927e-12 + Hto 5.879e-11 6.926e-12 I 2.879e-11 3.392e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.763e-12 2.077e-13 + Nat 1.762e-12 2.076e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.849e-10 + Electrical balance (eq) = -1.036e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -170778,8 +169889,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.596e-11 - CH4 3.596e-11 3.910e-11 -10.444 -10.408 0.036 35.46 +C(-4) 3.695e-11 + CH4 3.695e-11 4.017e-11 -10.432 -10.396 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -170788,10 +169899,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -170803,10 +169914,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.010e-11 - H2 1.005e-11 1.093e-11 -10.998 -10.961 0.036 28.61 -Hto 5.880e-11 - Hto 5.880e-11 5.880e-11 -10.231 -10.231 0.000 (0) +H(0) 2.024e-11 + H2 1.012e-11 1.100e-11 -10.995 -10.959 0.036 28.61 +Hto 5.879e-11 + Hto 5.879e-11 5.879e-11 -10.231 -10.231 0.000 (0) I 2.879e-11 I- 2.879e-11 2.879e-11 -10.541 -10.541 -0.000 (0) K 1.540e-03 @@ -170818,22 +169929,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 1.763e-12 - Nat+ 1.763e-12 1.763e-12 -11.754 -11.754 -0.000 (0) +Nat 1.762e-12 + Nat+ 1.762e-12 1.762e-12 -11.754 -11.754 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.502 -70.466 0.036 30.40 -S(-2) 5.635e-08 - HS- 3.941e-08 2.595e-08 -7.404 -7.586 -0.182 21.14 - H2S 1.694e-08 1.841e-08 -7.771 -7.735 0.036 36.27 - S-2 1.602e-13 3.861e-14 -12.795 -13.413 -0.618 (0) - (H2S)2 1.643e-17 1.787e-17 -16.784 -16.748 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.508 -70.472 0.036 30.40 +S(-2) 5.789e-08 + HS- 4.049e-08 2.666e-08 -7.393 -7.574 -0.182 21.14 + H2S 1.740e-08 1.892e-08 -7.759 -7.723 0.036 36.27 + S-2 1.646e-13 3.967e-14 -12.784 -13.402 -0.618 (0) + (H2S)2 1.735e-17 1.886e-17 -16.761 -16.724 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -170848,7 +169958,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -170860,21 +169970,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.59 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.47 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.08 4.88 S + Sulfur -4.80 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -170898,7 +170008,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.657e-11 Surface + diffuse layer charge, eq + -9.686e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -170908,7 +170018,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -170917,14 +170027,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 1.1451e-12 + Hto 1.1450e-12 I 4.8033e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0426e-13 + Nat 1.0424e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -170943,7 +170053,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.704e-12 1.143e-12 + Hto 9.703e-12 1.143e-12 I 4.077e-12 4.803e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -170955,18 +170065,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.140e-09 + Electrical balance (eq) = -1.492e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -170980,8 +170090,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.588e-11 - CH4 3.588e-11 3.901e-11 -10.445 -10.409 0.036 35.46 +C(-4) 3.687e-11 + CH4 3.687e-11 4.008e-11 -10.433 -10.397 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -170990,10 +170100,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -171005,10 +170115,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.009e-11 - H2 1.005e-11 1.092e-11 -10.998 -10.962 0.036 28.61 -Hto 9.704e-12 - Hto 9.704e-12 9.704e-12 -11.013 -11.013 0.000 (0) +H(0) 2.023e-11 + H2 1.011e-11 1.100e-11 -10.995 -10.959 0.036 28.61 +Hto 9.703e-12 + Hto 9.703e-12 9.703e-12 -11.013 -11.013 0.000 (0) I 4.077e-12 I- 4.077e-12 4.077e-12 -11.390 -11.390 -0.000 (0) K 1.540e-03 @@ -171020,22 +170130,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.774e-13 Nat+ 1.774e-13 1.774e-13 -12.751 -12.751 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.502 -70.465 0.036 30.40 -S(-2) 5.622e-08 - HS- 3.932e-08 2.589e-08 -7.405 -7.587 -0.182 21.14 - H2S 1.690e-08 1.837e-08 -7.772 -7.736 0.036 36.27 - S-2 1.598e-13 3.852e-14 -12.796 -13.414 -0.618 (0) - (H2S)2 1.636e-17 1.778e-17 -16.786 -16.750 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.508 -70.471 0.036 30.40 +S(-2) 5.776e-08 + HS- 4.040e-08 2.660e-08 -7.394 -7.575 -0.182 21.14 + H2S 1.736e-08 1.888e-08 -7.760 -7.724 0.036 36.27 + S-2 1.642e-13 3.958e-14 -12.785 -13.403 -0.618 (0) + (H2S)2 1.727e-17 1.877e-17 -16.763 -16.726 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -171050,7 +170159,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -171062,21 +170171,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.47 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.08 4.88 S + Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -171100,7 +170209,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.657e-11 Surface + diffuse layer charge, eq + -9.685e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -171110,7 +170219,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -171119,14 +170228,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6599e-10 H 1.2950e-04 - Hto 1.6729e-13 - I 6.0080e-26 + Hto 1.6726e-13 + I 6.0067e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.2172e-15 + Nat 9.2150e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -171145,30 +170254,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.418e-12 1.670e-13 + Hto 1.417e-12 1.670e-13 I 5.098e-13 6.006e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.568e-14 1.848e-15 + Nat 1.568e-14 1.847e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.155e-09 + Electrical balance (eq) = -1.506e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -171182,8 +170291,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.593e-11 - CH4 3.593e-11 3.907e-11 -10.444 -10.408 0.036 35.46 +C(-4) 3.692e-11 + CH4 3.692e-11 4.014e-11 -10.433 -10.396 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -171192,10 +170301,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.384e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -171207,10 +170316,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.010e-11 - H2 1.005e-11 1.093e-11 -10.998 -10.962 0.036 28.61 -Hto 1.418e-12 - Hto 1.418e-12 1.418e-12 -11.848 -11.848 0.000 (0) +H(0) 2.023e-11 + H2 1.012e-11 1.100e-11 -10.995 -10.959 0.036 28.61 +Hto 1.417e-12 + Hto 1.417e-12 1.417e-12 -11.848 -11.848 0.000 (0) I 5.098e-13 I- 5.098e-13 5.098e-13 -12.293 -12.293 -0.000 (0) K 1.540e-03 @@ -171222,22 +170331,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.568e-14 Nat+ 1.568e-14 1.568e-14 -13.805 -13.805 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.502 -70.466 0.036 30.40 -S(-2) 5.630e-08 - HS- 3.938e-08 2.592e-08 -7.405 -7.586 -0.182 21.14 - H2S 1.692e-08 1.840e-08 -7.772 -7.735 0.036 36.27 - S-2 1.600e-13 3.857e-14 -12.796 -13.414 -0.618 (0) - (H2S)2 1.640e-17 1.784e-17 -16.785 -16.749 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.508 -70.472 0.036 30.40 +S(-2) 5.785e-08 + HS- 4.046e-08 2.664e-08 -7.393 -7.575 -0.182 21.14 + H2S 1.739e-08 1.890e-08 -7.760 -7.723 0.036 36.27 + S-2 1.644e-13 3.964e-14 -12.784 -13.402 -0.618 (0) + (H2S)2 1.732e-17 1.883e-17 -16.762 -16.725 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -171252,7 +170360,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -171264,21 +170372,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.41 -2.80 CH4 + CH4(g) -7.59 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.73 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.47 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.81 0.08 4.88 S + Sulfur -4.80 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -171302,7 +170410,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.665e-11 Surface + diffuse layer charge, eq + -9.693e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -171312,23 +170420,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6600e-10 + Cl 4.6598e-10 H 1.2950e-04 - Hto 2.1743e-14 + Hto 2.1740e-14 I 6.6698e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.2058e-16 + Nat 7.2039e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -171347,31 +170455,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.843e-13 2.171e-14 + Hto 1.842e-13 2.170e-14 I 5.661e-14 6.670e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.226e-15 1.445e-16 + Nat 1.226e-15 1.444e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.364e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.509e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -171384,35 +170492,35 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.614e-11 - CH4 3.614e-11 3.929e-11 -10.442 -10.406 0.036 35.46 +C(-4) 3.712e-11 + CH4 3.712e-11 4.036e-11 -10.430 -10.394 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.013e-11 - H2 1.006e-11 1.094e-11 -10.997 -10.961 0.036 28.61 -Hto 1.843e-13 - Hto 1.843e-13 1.843e-13 -12.735 -12.735 0.000 (0) +H(0) 2.026e-11 + H2 1.013e-11 1.101e-11 -10.994 -10.958 0.036 28.61 +Hto 1.842e-13 + Hto 1.842e-13 1.842e-13 -12.735 -12.735 0.000 (0) I 5.661e-14 I- 5.661e-14 5.661e-14 -13.247 -13.247 -0.000 (0) K 1.540e-03 @@ -171424,22 +170532,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 + MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.226e-15 - Nat+ 1.226e-15 1.226e-15 -14.911 -14.911 -0.000 (0) + Nat+ 1.226e-15 1.226e-15 -14.912 -14.912 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.503 -70.467 0.036 30.40 -S(-2) 5.662e-08 - HS- 3.960e-08 2.607e-08 -7.402 -7.584 -0.182 21.14 - H2S 1.702e-08 1.850e-08 -7.769 -7.733 0.036 36.27 - S-2 1.609e-13 3.879e-14 -12.793 -13.411 -0.618 (0) - (H2S)2 1.659e-17 1.804e-17 -16.780 -16.744 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.509 -70.473 0.036 30.40 +S(-2) 5.816e-08 + HS- 4.068e-08 2.678e-08 -7.391 -7.572 -0.182 21.14 + H2S 1.748e-08 1.901e-08 -7.757 -7.721 0.036 36.27 + S-2 1.653e-13 3.985e-14 -12.782 -13.400 -0.618 (0) + (H2S)2 1.751e-17 1.903e-17 -16.757 -16.720 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -171454,7 +170561,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -171466,21 +170573,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.41 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.67 -7.94 H2S + H2S(g) -6.73 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.47 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.80 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -171504,7 +170611,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.674e-11 Surface + diffuse layer charge, eq + -9.702e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -171514,23 +170621,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6600e-10 + Cl 4.6598e-10 H 1.2950e-04 - Hto 2.5250e-15 - I 6.6087e-28 + Hto 2.5246e-15 + I 6.6067e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.0088e-17 + Nat 5.0073e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -171549,30 +170656,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.140e-14 2.521e-15 + Hto 2.139e-14 2.521e-15 I 5.609e-15 6.608e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.523e-17 1.004e-17 + Nat 8.521e-17 1.004e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.249e-09 + Electrical balance (eq) = -1.601e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -171583,38 +170690,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.643e-11 - CH4 3.643e-11 3.961e-11 -10.438 -10.402 0.036 35.46 +C(-4) 3.742e-11 + CH4 3.742e-11 4.069e-11 -10.427 -10.391 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.017e-11 - H2 1.008e-11 1.096e-11 -10.996 -10.960 0.036 28.61 -Hto 2.140e-14 - Hto 2.140e-14 2.140e-14 -13.670 -13.670 0.000 (0) +H(0) 2.030e-11 + H2 1.015e-11 1.104e-11 -10.993 -10.957 0.036 28.61 +Hto 2.139e-14 + Hto 2.139e-14 2.139e-14 -13.670 -13.670 0.000 (0) I 5.609e-15 I- 5.609e-15 5.609e-15 -14.251 -14.251 -0.000 (0) K 1.540e-03 @@ -171632,16 +170739,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.523e-17 - Nat+ 8.523e-17 8.523e-17 -16.069 -16.069 -0.000 (0) +Nat 8.521e-17 + Nat+ 8.521e-17 8.521e-17 -16.070 -16.070 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.505 -70.469 0.036 30.40 -S(-2) 5.708e-08 - HS- 3.993e-08 2.628e-08 -7.399 -7.580 -0.182 21.14 - H2S 1.716e-08 1.865e-08 -7.766 -7.729 0.036 36.27 - S-2 1.623e-13 3.911e-14 -12.790 -13.408 -0.618 (0) - (H2S)2 1.686e-17 1.833e-17 -16.773 -16.737 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.511 -70.474 0.036 30.40 +S(-2) 5.863e-08 + HS- 4.101e-08 2.700e-08 -7.387 -7.569 -0.182 21.14 + H2S 1.762e-08 1.916e-08 -7.754 -7.718 0.036 36.27 + S-2 1.667e-13 4.017e-14 -12.778 -13.396 -0.618 (0) + (H2S)2 1.779e-17 1.934e-17 -16.750 -16.714 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -171656,7 +170762,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -171668,21 +170774,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -171706,7 +170812,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.681e-11 Surface + diffuse layer charge, eq + -9.709e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -171716,23 +170822,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 2.6289e-16 + Hto 2.6284e-16 I 5.8622e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.1092e-18 + Nat 3.1082e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -171751,30 +170857,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.228e-15 2.625e-16 + Hto 2.227e-15 2.624e-16 I 4.975e-16 5.861e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.291e-18 6.233e-19 + Nat 5.289e-18 6.231e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.251e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -171785,38 +170891,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.666e-11 - CH4 3.666e-11 3.986e-11 -10.436 -10.400 0.036 35.46 +C(-4) 3.765e-11 + CH4 3.765e-11 4.093e-11 -10.424 -10.388 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.020e-11 - H2 1.010e-11 1.098e-11 -10.996 -10.959 0.036 28.61 -Hto 2.228e-15 - Hto 2.228e-15 2.228e-15 -14.652 -14.652 0.000 (0) +H(0) 2.033e-11 + H2 1.017e-11 1.105e-11 -10.993 -10.957 0.036 28.61 +Hto 2.227e-15 + Hto 2.227e-15 2.227e-15 -14.652 -14.652 0.000 (0) I 4.975e-16 I- 4.975e-16 4.975e-16 -15.303 -15.303 -0.000 (0) K 1.540e-03 @@ -171834,16 +170940,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.291e-18 - Nat+ 5.291e-18 5.291e-18 -17.276 -17.276 -0.000 (0) +Nat 5.289e-18 + Nat+ 5.289e-18 5.289e-18 -17.277 -17.277 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.506 -70.470 0.036 30.40 -S(-2) 5.743e-08 - HS- 4.017e-08 2.645e-08 -7.396 -7.578 -0.182 21.14 - H2S 1.726e-08 1.877e-08 -7.763 -7.727 0.036 36.27 - S-2 1.633e-13 3.935e-14 -12.787 -13.405 -0.618 (0) - (H2S)2 1.707e-17 1.856e-17 -16.768 -16.731 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.512 -70.476 0.036 30.40 +S(-2) 5.898e-08 + HS- 4.125e-08 2.716e-08 -7.385 -7.566 -0.182 21.14 + H2S 1.773e-08 1.927e-08 -7.751 -7.715 0.036 36.27 + S-2 1.677e-13 4.041e-14 -12.776 -13.393 -0.618 (0) + (H2S)2 1.800e-17 1.957e-17 -16.745 -16.708 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -171858,7 +170963,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -171870,21 +170975,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -171908,7 +171013,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.684e-11 Surface + diffuse layer charge, eq + -9.712e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -171918,23 +171023,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 2.4607e-17 + Hto 2.4602e-17 I 4.6700e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7295e-19 + Nat 1.7289e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -171953,30 +171058,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.085e-16 2.457e-17 + Hto 2.085e-16 2.456e-17 I 3.964e-17 4.669e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.943e-19 3.467e-20 + Nat 2.942e-19 3.466e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.252e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -171987,36 +171092,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.676e-11 - CH4 3.676e-11 3.997e-11 -10.435 -10.398 0.036 35.46 +C(-4) 3.775e-11 + CH4 3.775e-11 4.104e-11 -10.423 -10.387 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.021e-11 - H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 +H(0) 2.035e-11 + H2 1.017e-11 1.106e-11 -10.993 -10.956 0.036 28.61 Hto 2.085e-16 Hto 2.085e-16 2.085e-16 -15.681 -15.681 0.000 (0) I 3.964e-17 @@ -172030,22 +171135,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.943e-19 - Nat+ 2.943e-19 2.943e-19 -18.531 -18.531 -0.000 (0) +Nat 2.942e-19 + Nat+ 2.942e-19 2.942e-19 -18.531 -18.531 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 -S(-2) 5.760e-08 - HS- 4.029e-08 2.652e-08 -7.395 -7.576 -0.182 21.14 - H2S 1.731e-08 1.882e-08 -7.762 -7.725 0.036 36.27 - S-2 1.637e-13 3.946e-14 -12.786 -13.404 -0.618 (0) - (H2S)2 1.717e-17 1.867e-17 -16.765 -16.729 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.513 -70.476 0.036 30.40 +S(-2) 5.914e-08 + HS- 4.137e-08 2.723e-08 -7.383 -7.565 -0.182 21.14 + H2S 1.777e-08 1.933e-08 -7.750 -7.714 0.036 36.27 + S-2 1.681e-13 4.053e-14 -12.774 -13.392 -0.618 (0) + (H2S)2 1.810e-17 1.968e-17 -16.742 -16.706 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -172060,7 +171164,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -172072,21 +171176,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -172110,7 +171214,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.685e-11 Surface + diffuse layer charge, eq + -9.713e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -172120,23 +171224,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 2.0751e-18 - I 3.3487e-31 + Hto 2.0746e-18 + I 3.3482e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.6438e-21 + Nat 8.6405e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -172155,30 +171259,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.759e-17 2.072e-18 + Hto 1.758e-17 2.071e-18 I 2.842e-18 3.349e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.471e-20 1.733e-21 + Nat 1.470e-20 1.732e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.252e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -172189,38 +171293,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.680e-11 - CH4 3.680e-11 4.001e-11 -10.434 -10.398 0.036 35.46 +C(-4) 3.778e-11 + CH4 3.778e-11 4.108e-11 -10.423 -10.386 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.022e-11 - H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 -Hto 1.759e-17 - Hto 1.759e-17 1.759e-17 -16.755 -16.755 0.000 (0) +H(0) 2.035e-11 + H2 1.018e-11 1.106e-11 -10.992 -10.956 0.036 28.61 +Hto 1.758e-17 + Hto 1.758e-17 1.758e-17 -16.755 -16.755 0.000 (0) I 2.842e-18 I- 2.842e-18 2.842e-18 -17.546 -17.546 -0.000 (0) K 1.540e-03 @@ -172232,22 +171336,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.471e-20 - Nat+ 1.471e-20 1.471e-20 -19.832 -19.832 -0.000 (0) +Nat 1.470e-20 + Nat+ 1.470e-20 1.470e-20 -19.833 -19.833 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 -S(-2) 5.765e-08 - HS- 4.032e-08 2.655e-08 -7.394 -7.576 -0.182 21.14 - H2S 1.733e-08 1.884e-08 -7.761 -7.725 0.036 36.27 - S-2 1.639e-13 3.950e-14 -12.786 -13.403 -0.618 (0) - (H2S)2 1.720e-17 1.870e-17 -16.764 -16.728 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 +S(-2) 5.920e-08 + HS- 4.140e-08 2.726e-08 -7.383 -7.565 -0.182 21.14 + H2S 1.779e-08 1.934e-08 -7.750 -7.713 0.036 36.27 + S-2 1.683e-13 4.056e-14 -12.774 -13.392 -0.618 (0) + (H2S)2 1.813e-17 1.972e-17 -16.742 -16.705 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -172262,7 +171365,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -172274,21 +171377,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -172312,7 +171415,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.685e-11 Surface + diffuse layer charge, eq + -9.713e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -172322,23 +171425,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 1.5790e-19 - I 2.1652e-32 + Hto 1.5786e-19 + I 2.1658e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8879e-22 + Nat 3.8863e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -172362,25 +171465,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.616e-22 7.794e-23 + Nat 6.613e-22 7.791e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.251e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -172391,36 +171494,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.680e-11 - CH4 3.680e-11 4.001e-11 -10.434 -10.398 0.036 35.46 +C(-4) 3.779e-11 + CH4 3.779e-11 4.109e-11 -10.423 -10.386 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.022e-11 - H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 +H(0) 2.035e-11 + H2 1.018e-11 1.106e-11 -10.992 -10.956 0.036 28.61 Hto 1.338e-18 Hto 1.338e-18 1.338e-18 -17.874 -17.874 0.000 (0) I 1.838e-19 @@ -172434,22 +171537,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.616e-22 - Nat+ 6.616e-22 6.616e-22 -21.179 -21.179 -0.000 (0) +Nat 6.613e-22 + Nat+ 6.613e-22 6.613e-22 -21.180 -21.180 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 -S(-2) 5.766e-08 - HS- 4.033e-08 2.655e-08 -7.394 -7.576 -0.182 21.14 - H2S 1.733e-08 1.884e-08 -7.761 -7.725 0.036 36.27 - S-2 1.639e-13 3.951e-14 -12.785 -13.403 -0.618 (0) - (H2S)2 1.721e-17 1.871e-17 -16.764 -16.728 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 +S(-2) 5.921e-08 + HS- 4.141e-08 2.726e-08 -7.383 -7.564 -0.182 21.14 + H2S 1.779e-08 1.935e-08 -7.750 -7.713 0.036 36.27 + S-2 1.683e-13 4.057e-14 -12.774 -13.392 -0.618 (0) + (H2S)2 1.814e-17 1.972e-17 -16.741 -16.705 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -172464,7 +171566,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -172476,21 +171578,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -172514,7 +171616,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.685e-11 Surface + diffuse layer charge, eq + -9.713e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -172524,23 +171626,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 1.0853e-20 - I 1.2637e-33 + Hto 1.0850e-20 + I 1.2639e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5650e-23 + Nat 1.5643e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -172559,30 +171661,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.197e-20 1.084e-20 + Hto 9.195e-20 1.083e-20 I 1.073e-20 1.264e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.663e-23 3.137e-24 + Nat 2.662e-23 3.136e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.252e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -172593,38 +171695,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.681e-11 - CH4 3.681e-11 4.002e-11 -10.434 -10.398 0.036 35.46 +C(-4) 3.779e-11 + CH4 3.779e-11 4.109e-11 -10.423 -10.386 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.022e-11 - H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 -Hto 9.197e-20 - Hto 9.197e-20 9.197e-20 -19.036 -19.036 0.000 (0) +H(0) 2.035e-11 + H2 1.018e-11 1.106e-11 -10.992 -10.956 0.036 28.61 +Hto 9.195e-20 + Hto 9.195e-20 9.195e-20 -19.036 -19.036 0.000 (0) I 1.073e-20 I- 1.073e-20 1.073e-20 -19.970 -19.970 -0.000 (0) K 1.540e-03 @@ -172636,22 +171738,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.663e-23 - Nat+ 2.663e-23 2.663e-23 -22.575 -22.575 -0.000 (0) +Nat 2.662e-23 + Nat+ 2.662e-23 2.662e-23 -22.575 -22.575 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 -S(-2) 5.767e-08 - HS- 4.033e-08 2.655e-08 -7.394 -7.576 -0.182 21.14 - H2S 1.733e-08 1.884e-08 -7.761 -7.725 0.036 36.27 - S-2 1.639e-13 3.951e-14 -12.785 -13.403 -0.618 (0) - (H2S)2 1.721e-17 1.871e-17 -16.764 -16.728 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 +S(-2) 5.921e-08 + HS- 4.142e-08 2.726e-08 -7.383 -7.564 -0.182 21.14 + H2S 1.780e-08 1.935e-08 -7.750 -7.713 0.036 36.27 + S-2 1.683e-13 4.057e-14 -12.774 -13.392 -0.618 (0) + (H2S)2 1.814e-17 1.973e-17 -16.741 -16.705 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -172666,7 +171767,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -172678,21 +171779,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -172716,7 +171817,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.685e-11 Surface + diffuse layer charge, eq + -9.713e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -172726,23 +171827,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 6.7416e-22 - I 6.6545e-35 + Hto 6.7398e-22 + I 6.6556e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3548e-25 + Nat 3.3533e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -172761,30 +171862,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.713e-21 6.731e-22 + Hto 5.712e-21 6.729e-22 I 5.649e-22 6.655e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.709e-25 6.725e-26 + Nat 5.706e-25 6.722e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.252e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -172795,38 +171896,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.681e-11 - CH4 3.681e-11 4.002e-11 -10.434 -10.398 0.036 35.46 +C(-4) 3.779e-11 + CH4 3.779e-11 4.109e-11 -10.423 -10.386 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.022e-11 - H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 -Hto 5.713e-21 - Hto 5.713e-21 5.713e-21 -20.243 -20.243 0.000 (0) +H(0) 2.035e-11 + H2 1.018e-11 1.106e-11 -10.992 -10.956 0.036 28.61 +Hto 5.712e-21 + Hto 5.712e-21 5.712e-21 -20.243 -20.243 0.000 (0) I 5.649e-22 I- 5.649e-22 5.649e-22 -21.248 -21.248 -0.000 (0) K 1.540e-03 @@ -172838,22 +171939,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.709e-25 - Nat+ 5.709e-25 5.709e-25 -24.243 -24.243 -0.000 (0) +Nat 5.706e-25 + Nat+ 5.706e-25 5.706e-25 -24.244 -24.244 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 -S(-2) 5.767e-08 - HS- 4.033e-08 2.655e-08 -7.394 -7.576 -0.182 21.14 - H2S 1.733e-08 1.884e-08 -7.761 -7.725 0.036 36.27 - S-2 1.639e-13 3.951e-14 -12.785 -13.403 -0.618 (0) - (H2S)2 1.721e-17 1.871e-17 -16.764 -16.728 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 +S(-2) 5.921e-08 + HS- 4.142e-08 2.726e-08 -7.383 -7.564 -0.182 21.14 + H2S 1.780e-08 1.935e-08 -7.750 -7.713 0.036 36.27 + S-2 1.683e-13 4.057e-14 -12.774 -13.392 -0.618 (0) + (H2S)2 1.814e-17 1.973e-17 -16.741 -16.705 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -172868,7 +171968,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -172880,21 +171980,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -172918,7 +172018,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.685e-11 Surface + diffuse layer charge, eq + -9.713e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -172928,19 +172028,19 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 3.9687e-23 - I 3.2238e-36 + Hto 3.9675e-23 + I 3.2242e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -172962,7 +172062,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.363e-22 3.962e-23 + Hto 3.362e-22 3.961e-23 I 2.737e-23 3.224e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -172973,18 +172073,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.252e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -172995,38 +172095,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.681e-11 - CH4 3.681e-11 4.002e-11 -10.434 -10.398 0.036 35.46 +C(-4) 3.779e-11 + CH4 3.779e-11 4.109e-11 -10.423 -10.386 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.022e-11 - H2 1.011e-11 1.099e-11 -10.995 -10.959 0.036 28.61 -Hto 3.363e-22 - Hto 3.363e-22 3.363e-22 -21.473 -21.473 0.000 (0) +H(0) 2.035e-11 + H2 1.018e-11 1.106e-11 -10.992 -10.956 0.036 28.61 +Hto 3.362e-22 + Hto 3.362e-22 3.362e-22 -21.473 -21.473 0.000 (0) I 2.737e-23 I- 2.737e-23 2.737e-23 -22.563 -22.563 -0.000 (0) K 1.540e-03 @@ -173038,20 +172138,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.507 -70.471 0.036 30.40 -S(-2) 5.767e-08 - HS- 4.033e-08 2.655e-08 -7.394 -7.576 -0.182 21.14 - H2S 1.733e-08 1.884e-08 -7.761 -7.725 0.036 36.27 - S-2 1.639e-13 3.951e-14 -12.785 -13.403 -0.618 (0) - (H2S)2 1.721e-17 1.871e-17 -16.764 -16.728 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 +S(-2) 5.921e-08 + HS- 4.142e-08 2.726e-08 -7.383 -7.564 -0.182 21.14 + H2S 1.780e-08 1.935e-08 -7.750 -7.713 0.036 36.27 + S-2 1.683e-13 4.057e-14 -12.774 -13.392 -0.618 (0) + (H2S)2 1.814e-17 1.973e-17 -16.741 -16.705 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -173066,7 +172165,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -173078,21 +172177,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -173122,18 +172221,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -173147,8 +172246,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -173172,8 +172271,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -173193,16 +172292,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -173229,21 +172327,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -173271,18 +172369,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -173296,8 +172394,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -173321,8 +172419,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -173342,16 +172440,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -173378,21 +172475,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -173429,18 +172526,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.043 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.041 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.016e-12 + Electrical balance (eq) = -9.746e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -173454,8 +172551,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.648e-12 - CH4 2.648e-12 2.879e-12 -11.577 -11.541 0.036 35.46 +C(-4) 2.564e-12 + CH4 2.564e-12 2.788e-12 -11.591 -11.555 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -173479,8 +172576,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.047e-11 - H2 5.234e-12 5.691e-12 -11.281 -11.245 0.036 28.61 +H(0) 1.038e-11 + H2 5.192e-12 5.645e-12 -11.285 -11.248 0.036 28.61 Hto 5.332e-07 Hto 5.332e-07 5.332e-07 -6.273 -6.273 0.000 (0) I 7.115e-07 @@ -173500,16 +172597,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.998e-07 Nat+ 2.998e-07 2.998e-07 -6.523 -6.523 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.935 -69.899 0.036 30.40 -S(-2) 4.152e-09 - HS- 2.903e-09 1.911e-09 -8.537 -8.719 -0.182 21.14 - H2S 1.249e-09 1.358e-09 -8.903 -8.867 0.036 36.27 - S-2 1.178e-14 2.840e-15 -13.929 -14.547 -0.618 (0) - (H2S)2 8.937e-20 9.716e-20 -19.049 -19.013 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.928 -69.892 0.036 30.40 +S(-2) 4.020e-09 + HS- 2.811e-09 1.850e-09 -8.551 -8.733 -0.182 21.14 + H2S 1.209e-09 1.315e-09 -8.917 -8.881 0.036 36.27 + S-2 1.141e-14 2.750e-15 -13.943 -14.561 -0.618 (0) + (H2S)2 8.379e-20 9.110e-20 -19.077 -19.040 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -173536,21 +172632,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.74 -11.54 -2.80 CH4 + CH4(g) -8.75 -11.55 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.14 -11.24 -3.10 H2 + H2(g) -8.15 -11.25 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.87 -15.81 -7.94 H2S + H2S(g) -7.89 -15.82 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.01 -69.90 -2.89 O2 + O2(g) -67.00 -69.89 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.65 -0.77 4.88 S + Sulfur -5.66 -0.78 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -173574,7 +172670,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.852e-14 Surface + diffuse layer charge, eq + -4.907e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -173584,7 +172680,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -173600,7 +172696,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5781e-07 + Nat 1.5782e-07 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -173631,18 +172727,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.100 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.099 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.947e-09 + Electrical balance (eq) = 1.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -173656,8 +172752,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.573e-12 - CH4 7.573e-12 8.233e-12 -11.121 -11.084 0.036 35.46 +C(-4) 7.500e-12 + CH4 7.500e-12 8.154e-12 -11.125 -11.089 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -173681,8 +172777,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.361e-11 - H2 6.807e-12 7.401e-12 -11.167 -11.131 0.036 28.61 +H(0) 1.358e-11 + H2 6.790e-12 7.383e-12 -11.168 -11.132 0.036 28.61 Hto 4.631e-07 Hto 4.631e-07 4.631e-07 -6.334 -6.334 0.000 (0) I 6.196e-07 @@ -173702,16 +172798,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.685e-07 Nat+ 2.685e-07 2.685e-07 -6.571 -6.571 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.164 -70.127 0.036 30.40 -S(-2) 1.187e-08 - HS- 8.300e-09 5.464e-09 -8.081 -8.263 -0.182 21.14 - H2S 3.570e-09 3.882e-09 -8.447 -8.411 0.036 36.27 - S-2 3.369e-14 8.121e-15 -13.472 -14.090 -0.618 (0) - (H2S)2 7.304e-19 7.941e-19 -18.136 -18.100 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.162 -70.125 0.036 30.40 +S(-2) 1.176e-08 + HS- 8.220e-09 5.411e-09 -8.085 -8.267 -0.182 21.14 + H2S 3.536e-09 3.845e-09 -8.451 -8.415 0.036 36.27 + S-2 3.337e-14 8.043e-15 -13.477 -14.095 -0.618 (0) + (H2S)2 7.164e-19 7.789e-19 -18.145 -18.109 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -173738,21 +172833,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.28 -11.08 -2.80 CH4 + CH4(g) -8.29 -11.09 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.03 -11.13 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.42 -15.35 -7.94 H2S + H2S(g) -7.42 -15.36 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.23 -70.13 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.31 -0.43 4.88 S + Sulfur -5.32 -0.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -173776,7 +172871,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.454e-11 Surface + diffuse layer charge, eq + -9.452e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -173786,7 +172881,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -173802,7 +172897,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.6518e-08 + Nat 8.6517e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -173834,18 +172929,18 @@ Su pH = 7.090 Charge balance pe = -3.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.379e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.949e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -173858,8 +172953,8 @@ Su OH- 1.874e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.609e-11 - CH4 2.609e-11 2.837e-11 -10.583 -10.547 0.036 35.46 +C(-4) 2.612e-11 + CH4 2.612e-11 2.840e-11 -10.583 -10.547 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -173883,8 +172978,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.855e-11 - H2 9.275e-12 1.008e-11 -11.033 -10.996 0.036 28.61 +H(0) 1.856e-11 + H2 9.278e-12 1.009e-11 -11.033 -10.996 0.036 28.61 Hto 2.886e-07 Hto 2.886e-07 2.886e-07 -6.540 -6.540 0.000 (0) I 3.552e-07 @@ -173904,16 +172999,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.472e-07 Nat+ 1.472e-07 1.472e-07 -6.832 -6.832 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.432 -70.396 0.036 30.40 -S(-2) 4.089e-08 - HS- 2.859e-08 1.882e-08 -7.544 -7.725 -0.182 21.14 - H2S 1.229e-08 1.336e-08 -7.910 -7.874 0.036 36.27 - S-2 1.162e-13 2.800e-14 -12.935 -13.553 -0.618 (0) - (H2S)2 8.656e-18 9.412e-18 -17.063 -17.026 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.433 -70.396 0.036 30.40 +S(-2) 4.093e-08 + HS- 2.862e-08 1.884e-08 -7.543 -7.725 -0.182 21.14 + H2S 1.230e-08 1.338e-08 -7.910 -7.874 0.036 36.27 + S-2 1.163e-13 2.803e-14 -12.935 -13.552 -0.618 (0) + (H2S)2 8.674e-18 9.430e-18 -17.062 -17.025 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -173940,7 +173034,7 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.75 -10.55 -2.80 CH4 + CH4(g) -7.74 -10.55 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O @@ -173978,7 +173072,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.716e-11 Surface + diffuse layer charge, eq + -9.719e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -173988,7 +173082,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -173997,14 +173091,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6604e-10 + Cl 4.6603e-10 H 1.2950e-04 Hto 1.7302e-08 I 1.9234e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.4097e-08 + Nat 3.4096e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -174035,18 +173129,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.182 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.349e-09 + Electrical balance (eq) = -1.700e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -174058,17 +173152,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.367e-11 - CH4 3.367e-11 3.661e-11 -10.473 -10.436 0.036 35.46 +C(-4) 3.398e-11 + CH4 3.398e-11 3.694e-11 -10.469 -10.432 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.383e-06 8.612e-07 -5.471 -6.065 -0.594 -1.53 @@ -174079,14 +173173,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.019e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.020e-06 9.806e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.786e-10 -8.972 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.977e-11 - H2 9.886e-12 1.075e-11 -11.005 -10.969 0.036 28.61 +H(0) 1.982e-11 + H2 9.909e-12 1.077e-11 -11.004 -10.968 0.036 28.61 Hto 1.466e-07 Hto 1.466e-07 1.466e-07 -6.834 -6.834 0.000 (0) I 1.633e-07 @@ -174106,16 +173200,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 5.802e-08 Nat+ 5.802e-08 5.802e-08 -7.236 -7.236 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.488 -70.452 0.036 30.40 -S(-2) 5.276e-08 - HS- 3.690e-08 2.429e-08 -7.433 -7.615 -0.182 21.14 - H2S 1.586e-08 1.724e-08 -7.800 -7.763 0.036 36.27 - S-2 1.499e-13 3.614e-14 -12.824 -13.442 -0.618 (0) - (H2S)2 1.441e-17 1.566e-17 -16.841 -16.805 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.490 -70.453 0.036 30.40 +S(-2) 5.324e-08 + HS- 3.724e-08 2.451e-08 -7.429 -7.611 -0.182 21.14 + H2S 1.600e-08 1.740e-08 -7.796 -7.759 0.036 36.27 + S-2 1.513e-13 3.647e-14 -12.820 -13.438 -0.618 (0) + (H2S)2 1.467e-17 1.595e-17 -16.834 -16.797 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -174142,21 +173235,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.63 -10.44 -2.80 CH4 + CH4(g) -7.63 -10.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.87 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.77 -14.71 -7.94 H2S + H2S(g) -6.77 -14.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.56 -70.45 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.83 0.06 4.88 S + Sulfur -4.82 0.06 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -174180,7 +173273,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.749e-11 Surface + diffuse layer charge, eq + -9.767e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -174190,7 +173283,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -174199,14 +173292,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6598e-10 H 1.2950e-04 - Hto 7.2515e-09 + Hto 7.2513e-09 I 7.1882e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0216e-08 + Nat 1.0215e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -174237,18 +173330,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.355e-09 + Electrical balance (eq) = -1.706e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -174260,35 +173353,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.650e-11 - CH4 3.650e-11 3.969e-11 -10.438 -10.401 0.036 35.46 +C(-4) 3.713e-11 + CH4 3.713e-11 4.037e-11 -10.430 -10.394 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.018e-11 - H2 1.009e-11 1.097e-11 -10.996 -10.960 0.036 28.61 +H(0) 2.026e-11 + H2 1.013e-11 1.102e-11 -10.994 -10.958 0.036 28.61 Hto 6.145e-08 Hto 6.145e-08 6.145e-08 -7.211 -7.211 0.000 (0) I 6.101e-08 @@ -174308,16 +173401,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.738e-08 Nat+ 1.738e-08 1.738e-08 -7.760 -7.760 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.505 -70.469 0.036 30.40 -S(-2) 5.719e-08 - HS- 4.000e-08 2.633e-08 -7.398 -7.580 -0.182 21.14 - H2S 1.719e-08 1.869e-08 -7.765 -7.728 0.036 36.27 - S-2 1.626e-13 3.918e-14 -12.789 -13.407 -0.618 (0) - (H2S)2 1.693e-17 1.840e-17 -16.771 -16.735 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.509 -70.473 0.036 30.40 +S(-2) 5.818e-08 + HS- 4.069e-08 2.679e-08 -7.390 -7.572 -0.182 21.14 + H2S 1.748e-08 1.901e-08 -7.757 -7.721 0.036 36.27 + S-2 1.654e-13 3.986e-14 -12.782 -13.399 -0.618 (0) + (H2S)2 1.751e-17 1.904e-17 -16.757 -16.720 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -174332,7 +173424,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -174344,21 +173436,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.40 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.73 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.80 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -174382,7 +173474,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.737e-11 Surface + diffuse layer charge, eq + -9.763e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -174392,23 +173484,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6596e-10 H 1.2950e-04 - Hto 2.5420e-09 - I 2.2218e-21 + Hto 2.5419e-09 + I 2.2222e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4264e-09 + Nat 2.4262e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -174439,18 +173531,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.352e-09 + Electrical balance (eq) = -1.704e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -174461,11 +173553,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.740e-11 - CH4 3.740e-11 4.066e-11 -10.427 -10.391 0.036 35.46 +C(-4) 3.825e-11 + CH4 3.825e-11 4.158e-11 -10.417 -10.381 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -174474,7 +173566,7 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 @@ -174484,13 +173576,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.030e-11 - H2 1.015e-11 1.104e-11 -10.994 -10.957 0.036 28.61 +H(0) 2.041e-11 + H2 1.021e-11 1.110e-11 -10.991 -10.955 0.036 28.61 Hto 2.154e-08 Hto 2.154e-08 2.154e-08 -7.667 -7.667 0.000 (0) I 1.886e-08 @@ -174504,22 +173596,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 4.129e-09 Nat+ 4.129e-09 4.129e-09 -8.384 -8.384 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.511 -70.474 0.036 30.40 -S(-2) 5.860e-08 - HS- 4.099e-08 2.698e-08 -7.387 -7.569 -0.182 21.14 - H2S 1.761e-08 1.915e-08 -7.754 -7.718 0.036 36.27 - S-2 1.666e-13 4.015e-14 -12.778 -13.396 -0.618 (0) - (H2S)2 1.777e-17 1.932e-17 -16.750 -16.714 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.516 -70.479 0.036 30.40 +S(-2) 5.992e-08 + HS- 4.191e-08 2.759e-08 -7.378 -7.559 -0.182 21.14 + H2S 1.801e-08 1.958e-08 -7.745 -7.708 0.036 36.27 + S-2 1.703e-13 4.106e-14 -12.769 -13.387 -0.618 (0) + (H2S)2 1.858e-17 2.020e-17 -16.731 -16.695 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -174535,7 +173626,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -174546,21 +173637,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.71 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.79 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -174584,7 +173675,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.722e-11 Surface + diffuse layer charge, eq + -9.750e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -174594,7 +173685,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -174603,14 +173694,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6596e-10 H 1.2950e-04 - Hto 7.5544e-10 + Hto 7.5540e-10 I 5.7717e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.7119e-10 + Nat 4.7114e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -174634,25 +173725,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.018e-10 9.446e-11 + Nat 8.017e-10 9.445e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.349e-09 + Electrical balance (eq) = -1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -174663,11 +173754,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.757e-11 - CH4 3.757e-11 4.085e-11 -10.425 -10.389 0.036 35.46 +C(-4) 3.851e-11 + CH4 3.851e-11 4.187e-11 -10.414 -10.378 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -174676,10 +173767,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -174690,9 +173781,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.032e-11 - H2 1.016e-11 1.105e-11 -10.993 -10.957 0.036 28.61 + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.045e-11 + H2 1.022e-11 1.112e-11 -10.990 -10.954 0.036 28.61 Hto 6.402e-09 Hto 6.402e-09 6.402e-09 -8.194 -8.194 0.000 (0) I 4.899e-09 @@ -174706,22 +173797,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.018e-10 - Nat+ 8.018e-10 8.018e-10 -9.096 -9.096 -0.000 (0) +Nat 8.017e-10 + Nat+ 8.017e-10 8.017e-10 -9.096 -9.096 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.512 -70.475 0.036 30.40 -S(-2) 5.886e-08 - HS- 4.117e-08 2.710e-08 -7.385 -7.567 -0.182 21.14 - H2S 1.769e-08 1.923e-08 -7.752 -7.716 0.036 36.27 - S-2 1.673e-13 4.033e-14 -12.776 -13.394 -0.618 (0) - (H2S)2 1.793e-17 1.949e-17 -16.746 -16.710 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.517 -70.481 0.036 30.40 +S(-2) 6.034e-08 + HS- 4.220e-08 2.778e-08 -7.375 -7.556 -0.182 21.14 + H2S 1.813e-08 1.972e-08 -7.742 -7.705 0.036 36.27 + S-2 1.715e-13 4.135e-14 -12.766 -13.384 -0.618 (0) + (H2S)2 1.884e-17 2.048e-17 -16.725 -16.689 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -174730,14 +173820,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -174748,21 +173838,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.71 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -174786,7 +173876,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.711e-11 Surface + diffuse layer charge, eq + -9.739e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -174796,7 +173886,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -174805,14 +173895,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6596e-10 H 1.2950e-04 - Hto 1.9262e-10 + Hto 1.9260e-10 I 1.2783e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.6544e-11 + Nat 7.6534e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -174843,18 +173933,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.348e-09 + Electrical balance (eq) = -1.700e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -174865,11 +173955,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.744e-11 - CH4 3.744e-11 4.070e-11 -10.427 -10.390 0.036 35.46 +C(-4) 3.841e-11 + CH4 3.841e-11 4.177e-11 -10.416 -10.379 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -174878,23 +173968,23 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.030e-11 - H2 1.015e-11 1.104e-11 -10.993 -10.957 0.036 28.61 +H(0) 2.044e-11 + H2 1.022e-11 1.111e-11 -10.991 -10.954 0.036 28.61 Hto 1.632e-09 Hto 1.632e-09 1.632e-09 -8.787 -8.787 0.000 (0) I 1.085e-09 @@ -174908,22 +173998,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.302e-10 Nat+ 1.302e-10 1.302e-10 -9.885 -9.885 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.511 -70.475 0.036 30.40 -S(-2) 5.866e-08 - HS- 4.103e-08 2.701e-08 -7.387 -7.569 -0.182 21.14 - H2S 1.763e-08 1.917e-08 -7.754 -7.717 0.036 36.27 - S-2 1.667e-13 4.019e-14 -12.778 -13.396 -0.618 (0) - (H2S)2 1.780e-17 1.936e-17 -16.749 -16.713 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.516 -70.480 0.036 30.40 +S(-2) 6.018e-08 + HS- 4.210e-08 2.771e-08 -7.376 -7.557 -0.182 21.14 + H2S 1.809e-08 1.967e-08 -7.743 -7.706 0.036 36.27 + S-2 1.711e-13 4.124e-14 -12.767 -13.385 -0.618 (0) + (H2S)2 1.874e-17 2.038e-17 -16.727 -16.691 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -174932,14 +174021,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -174950,21 +174039,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.71 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -174988,7 +174077,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.699e-11 Surface + diffuse layer charge, eq + -9.727e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -174998,7 +174087,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -175007,14 +174096,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6596e-10 H 1.2950e-04 - Hto 4.2576e-11 - I 2.4421e-23 + Hto 4.2572e-11 + I 2.4428e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0585e-11 + Nat 1.0583e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -175033,7 +174122,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.608e-10 4.251e-11 + Hto 3.608e-10 4.250e-11 I 2.073e-10 2.442e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -175045,18 +174134,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.313e-10 + Electrical balance (eq) = -1.185e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -175067,20 +174156,20 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.719e-11 - CH4 3.719e-11 4.044e-11 -10.430 -10.393 0.036 35.46 +C(-4) 3.818e-11 + CH4 3.818e-11 4.151e-11 -10.418 -10.382 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 @@ -175089,14 +174178,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.027e-11 - H2 1.014e-11 1.102e-11 -10.994 -10.958 0.036 28.61 +H(0) 2.040e-11 + H2 1.020e-11 1.109e-11 -10.991 -10.955 0.036 28.61 Hto 3.608e-10 Hto 3.608e-10 3.608e-10 -9.443 -9.443 0.000 (0) I 2.073e-10 @@ -175110,22 +174199,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.801e-11 - Nat+ 1.801e-11 1.801e-11 -10.744 -10.744 -0.000 (0) + Nat+ 1.801e-11 1.801e-11 -10.745 -10.745 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.509 -70.473 0.036 30.40 -S(-2) 5.827e-08 - HS- 4.076e-08 2.683e-08 -7.390 -7.571 -0.182 21.14 - H2S 1.751e-08 1.904e-08 -7.757 -7.720 0.036 36.27 - S-2 1.656e-13 3.993e-14 -12.781 -13.399 -0.618 (0) - (H2S)2 1.757e-17 1.911e-17 -16.755 -16.719 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.515 -70.479 0.036 30.40 +S(-2) 5.981e-08 + HS- 4.184e-08 2.754e-08 -7.378 -7.560 -0.182 21.14 + H2S 1.798e-08 1.954e-08 -7.745 -7.709 0.036 36.27 + S-2 1.700e-13 4.099e-14 -12.769 -13.387 -0.618 (0) + (H2S)2 1.851e-17 2.013e-17 -16.733 -16.696 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -175141,7 +174229,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -175152,21 +174240,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.66 -7.94 H2S + H2S(g) -6.71 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.79 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -175190,7 +174278,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.691e-11 Surface + diffuse layer charge, eq + -9.719e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -175200,7 +174288,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -175209,14 +174297,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 8.2304e-12 + Hto 8.2296e-12 I 4.0656e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2629e-12 + Nat 1.2627e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -175235,30 +174323,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.975e-11 8.217e-12 + Hto 6.974e-11 8.216e-12 I 3.451e-11 4.065e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.149e-12 2.532e-13 + Nat 2.149e-12 2.531e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.815e-10 + Electrical balance (eq) = -1.133e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -175269,38 +174357,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.699e-11 - CH4 3.699e-11 4.022e-11 -10.432 -10.396 0.036 35.46 +C(-4) 3.798e-11 + CH4 3.798e-11 4.129e-11 -10.420 -10.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.024e-11 - H2 1.012e-11 1.100e-11 -10.995 -10.958 0.036 28.61 -Hto 6.975e-11 - Hto 6.975e-11 6.975e-11 -10.156 -10.156 0.000 (0) +H(0) 2.038e-11 + H2 1.019e-11 1.108e-11 -10.992 -10.956 0.036 28.61 +Hto 6.974e-11 + Hto 6.974e-11 6.974e-11 -10.157 -10.157 0.000 (0) I 3.451e-11 I- 3.451e-11 3.451e-11 -10.462 -10.462 -0.000 (0) K 1.540e-03 @@ -175312,22 +174400,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.149e-12 Nat+ 2.149e-12 2.149e-12 -11.668 -11.668 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.508 -70.472 0.036 30.40 -S(-2) 5.796e-08 - HS- 4.054e-08 2.669e-08 -7.392 -7.574 -0.182 21.14 - H2S 1.742e-08 1.894e-08 -7.759 -7.723 0.036 36.27 - S-2 1.647e-13 3.971e-14 -12.783 -13.401 -0.618 (0) - (H2S)2 1.738e-17 1.890e-17 -16.760 -16.724 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.514 -70.478 0.036 30.40 +S(-2) 5.950e-08 + HS- 4.162e-08 2.740e-08 -7.381 -7.562 -0.182 21.14 + H2S 1.788e-08 1.944e-08 -7.748 -7.711 0.036 36.27 + S-2 1.691e-13 4.077e-14 -12.772 -13.390 -0.618 (0) + (H2S)2 1.832e-17 1.992e-17 -16.737 -16.701 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -175342,8 +174429,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -175354,21 +174441,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.66 -7.94 H2S + H2S(g) -6.72 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.09 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -175392,7 +174479,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.687e-11 Surface + diffuse layer charge, eq + -9.715e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -175402,23 +174489,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 1.4018e-12 + Hto 1.4016e-12 I 5.9444e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3141e-13 + Nat 1.3138e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -175437,7 +174524,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.188e-11 1.400e-12 + Hto 1.188e-11 1.399e-12 I 5.045e-12 5.944e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -175449,18 +174536,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.237e-09 + Electrical balance (eq) = -1.589e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -175471,36 +174558,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.691e-11 - CH4 3.691e-11 4.013e-11 -10.433 -10.397 0.036 35.46 +C(-4) 3.790e-11 + CH4 3.790e-11 4.120e-11 -10.421 -10.385 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.023e-11 - H2 1.012e-11 1.100e-11 -10.995 -10.959 0.036 28.61 +H(0) 2.037e-11 + H2 1.018e-11 1.107e-11 -10.992 -10.956 0.036 28.61 Hto 1.188e-11 Hto 1.188e-11 1.188e-11 -10.925 -10.925 0.000 (0) I 5.045e-12 @@ -175514,22 +174601,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.236e-13 Nat+ 2.236e-13 2.236e-13 -12.651 -12.651 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.508 -70.471 0.036 30.40 -S(-2) 5.783e-08 - HS- 4.045e-08 2.663e-08 -7.393 -7.575 -0.182 21.14 - H2S 1.738e-08 1.890e-08 -7.760 -7.724 0.036 36.27 - S-2 1.644e-13 3.962e-14 -12.784 -13.402 -0.618 (0) - (H2S)2 1.731e-17 1.882e-17 -16.762 -16.725 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.514 -70.477 0.036 30.40 +S(-2) 5.937e-08 + HS- 4.153e-08 2.734e-08 -7.382 -7.563 -0.182 21.14 + H2S 1.784e-08 1.940e-08 -7.749 -7.712 0.036 36.27 + S-2 1.688e-13 4.068e-14 -12.773 -13.391 -0.618 (0) + (H2S)2 1.824e-17 1.983e-17 -16.739 -16.703 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -175544,8 +174630,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -175556,21 +174642,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.72 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.58 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.09 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -175594,7 +174680,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.686e-11 Surface + diffuse layer charge, eq + -9.714e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -175604,23 +174690,23 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). Element Moles - C 1.6144e-04 + C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6599e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 2.1165e-13 - I 7.6867e-26 + Hto 2.1163e-13 + I 7.6879e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2025e-14 + Nat 1.2022e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -175639,30 +174725,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.794e-12 2.113e-13 + Hto 1.793e-12 2.113e-13 I 6.524e-13 7.686e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.046e-14 2.411e-15 + Nat 2.046e-14 2.410e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.251e-09 + Electrical balance (eq) = -1.603e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -175673,38 +174759,38 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.696e-11 - CH4 3.696e-11 4.019e-11 -10.432 -10.396 0.036 35.46 +C(-4) 3.795e-11 + CH4 3.795e-11 4.126e-11 -10.421 -10.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.024e-11 - H2 1.012e-11 1.100e-11 -10.995 -10.958 0.036 28.61 -Hto 1.794e-12 - Hto 1.794e-12 1.794e-12 -11.746 -11.746 0.000 (0) +H(0) 2.037e-11 + H2 1.019e-11 1.108e-11 -10.992 -10.956 0.036 28.61 +Hto 1.793e-12 + Hto 1.793e-12 1.793e-12 -11.746 -11.746 0.000 (0) I 6.524e-13 I- 6.524e-13 6.524e-13 -12.185 -12.185 -0.000 (0) K 1.540e-03 @@ -175716,22 +174802,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.046e-14 Nat+ 2.046e-14 2.046e-14 -13.689 -13.689 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.508 -70.472 0.036 30.40 -S(-2) 5.791e-08 - HS- 4.051e-08 2.667e-08 -7.392 -7.574 -0.182 21.14 - H2S 1.740e-08 1.892e-08 -7.759 -7.723 0.036 36.27 - S-2 1.646e-13 3.968e-14 -12.784 -13.401 -0.618 (0) - (H2S)2 1.736e-17 1.887e-17 -16.761 -16.724 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.514 -70.478 0.036 30.40 +S(-2) 5.946e-08 + HS- 4.159e-08 2.738e-08 -7.381 -7.563 -0.182 21.14 + H2S 1.787e-08 1.943e-08 -7.748 -7.712 0.036 36.27 + S-2 1.690e-13 4.074e-14 -12.772 -13.390 -0.618 (0) + (H2S)2 1.829e-17 1.989e-17 -16.738 -16.701 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -175746,8 +174831,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -175758,21 +174843,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.40 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.66 -7.94 H2S + H2S(g) -6.72 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.09 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -175796,7 +174881,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.694e-11 Surface + diffuse layer charge, eq + -9.722e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -175806,7 +174891,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -175815,14 +174900,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6597e-10 H 1.2950e-04 - Hto 2.8477e-14 - I 8.8400e-27 + Hto 2.8473e-14 + I 8.8416e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.7451e-16 + Nat 9.7425e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -175846,26 +174931,26 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.658e-15 1.954e-16 + Nat 1.658e-15 1.953e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.398e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -1.120e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -175875,20 +174960,20 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 - H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.716e-11 - CH4 3.716e-11 4.040e-11 -10.430 -10.394 0.036 35.46 +C(-4) 3.815e-11 + CH4 3.815e-11 4.148e-11 -10.419 -10.382 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 @@ -175897,14 +174982,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.027e-11 - H2 1.013e-11 1.102e-11 -10.994 -10.958 0.036 28.61 +H(0) 2.040e-11 + H2 1.020e-11 1.109e-11 -10.991 -10.955 0.036 28.61 Hto 2.413e-13 Hto 2.413e-13 2.413e-13 -12.617 -12.617 0.000 (0) I 7.503e-14 @@ -175918,22 +175003,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.658e-15 Nat+ 1.658e-15 1.658e-15 -14.780 -14.780 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.509 -70.473 0.036 30.40 -S(-2) 5.822e-08 - HS- 4.072e-08 2.681e-08 -7.390 -7.572 -0.182 21.14 - H2S 1.750e-08 1.903e-08 -7.757 -7.721 0.036 36.27 - S-2 1.655e-13 3.990e-14 -12.781 -13.399 -0.618 (0) - (H2S)2 1.754e-17 1.907e-17 -16.756 -16.720 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.515 -70.479 0.036 30.40 +S(-2) 5.977e-08 + HS- 4.181e-08 2.752e-08 -7.379 -7.560 -0.182 21.14 + H2S 1.796e-08 1.953e-08 -7.746 -7.709 0.036 36.27 + S-2 1.699e-13 4.096e-14 -12.770 -13.388 -0.618 (0) + (H2S)2 1.849e-17 2.010e-17 -16.733 -16.697 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -175949,7 +175033,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -175960,21 +175044,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.66 -7.94 H2S + H2S(g) -6.71 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.79 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -175998,7 +175082,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.702e-11 Surface + diffuse layer charge, eq + -9.730e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -176008,7 +175092,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -176017,14 +175101,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6596e-10 H 1.2950e-04 - Hto 3.4289e-15 - I 9.0857e-28 + Hto 3.4283e-15 + I 9.0837e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.0319e-17 + Nat 7.0298e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -176043,30 +175127,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.906e-14 3.423e-15 + Hto 2.905e-14 3.423e-15 I 7.711e-15 9.084e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.197e-16 1.410e-17 + Nat 1.196e-16 1.409e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.346e-09 + Electrical balance (eq) = -1.698e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -176077,11 +175161,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.745e-11 - CH4 3.745e-11 4.072e-11 -10.427 -10.390 0.036 35.46 +C(-4) 3.844e-11 + CH4 3.844e-11 4.179e-11 -10.415 -10.379 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -176090,25 +175174,25 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.031e-11 - H2 1.015e-11 1.104e-11 -10.993 -10.957 0.036 28.61 -Hto 2.906e-14 - Hto 2.906e-14 2.906e-14 -13.537 -13.537 0.000 (0) +H(0) 2.044e-11 + H2 1.022e-11 1.111e-11 -10.991 -10.954 0.036 28.61 +Hto 2.905e-14 + Hto 2.905e-14 2.905e-14 -13.537 -13.537 0.000 (0) I 7.711e-15 I- 7.711e-15 7.711e-15 -14.113 -14.113 -0.000 (0) K 1.540e-03 @@ -176120,22 +175204,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.197e-16 - Nat+ 1.197e-16 1.197e-16 -15.922 -15.922 -0.000 (0) +Nat 1.196e-16 + Nat+ 1.196e-16 1.196e-16 -15.922 -15.922 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.511 -70.475 0.036 30.40 -S(-2) 5.868e-08 - HS- 4.104e-08 2.702e-08 -7.387 -7.568 -0.182 21.14 - H2S 1.764e-08 1.917e-08 -7.754 -7.717 0.036 36.27 - S-2 1.668e-13 4.021e-14 -12.778 -13.396 -0.618 (0) - (H2S)2 1.782e-17 1.937e-17 -16.749 -16.713 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.517 -70.480 0.036 30.40 +S(-2) 6.022e-08 + HS- 4.212e-08 2.773e-08 -7.375 -7.557 -0.182 21.14 + H2S 1.810e-08 1.968e-08 -7.742 -7.706 0.036 36.27 + S-2 1.712e-13 4.127e-14 -12.766 -13.384 -0.618 (0) + (H2S)2 1.877e-17 2.041e-17 -16.727 -16.690 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -176144,14 +175227,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -176162,21 +175245,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.71 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -176200,7 +175283,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.710e-11 Surface + diffuse layer charge, eq + -9.738e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -176210,7 +175293,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -176219,14 +175302,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6596e-10 H 1.2950e-04 - Hto 3.7078e-16 - I 8.3718e-29 + Hto 3.7071e-16 + I 8.3730e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5382e-18 + Nat 4.5367e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -176245,30 +175328,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.142e-15 3.702e-16 + Hto 3.142e-15 3.701e-16 I 7.106e-16 8.372e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.722e-18 9.098e-19 + Nat 7.720e-18 9.095e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.348e-09 + Electrical balance (eq) = -1.700e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -176279,11 +175362,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.767e-11 - CH4 3.767e-11 4.096e-11 -10.424 -10.388 0.036 35.46 +C(-4) 3.866e-11 + CH4 3.866e-11 4.203e-11 -10.413 -10.376 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -176292,10 +175375,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -176306,9 +175389,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.034e-11 - H2 1.017e-11 1.106e-11 -10.993 -10.956 0.036 28.61 + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.047e-11 + H2 1.023e-11 1.113e-11 -10.990 -10.954 0.036 28.61 Hto 3.142e-15 Hto 3.142e-15 3.142e-15 -14.503 -14.503 0.000 (0) I 7.106e-16 @@ -176322,22 +175405,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 7.722e-18 - Nat+ 7.722e-18 7.722e-18 -17.112 -17.112 -0.000 (0) +Nat 7.720e-18 + Nat+ 7.720e-18 7.720e-18 -17.112 -17.112 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.512 -70.476 0.036 30.40 -S(-2) 5.903e-08 - HS- 4.129e-08 2.718e-08 -7.384 -7.566 -0.182 21.14 - H2S 1.774e-08 1.929e-08 -7.751 -7.715 0.036 36.27 - S-2 1.678e-13 4.045e-14 -12.775 -13.393 -0.618 (0) - (H2S)2 1.803e-17 1.960e-17 -16.744 -16.708 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.518 -70.482 0.036 30.40 +S(-2) 6.057e-08 + HS- 4.237e-08 2.789e-08 -7.373 -7.555 -0.182 21.14 + H2S 1.820e-08 1.979e-08 -7.740 -7.704 0.036 36.27 + S-2 1.722e-13 4.151e-14 -12.764 -13.382 -0.618 (0) + (H2S)2 1.898e-17 2.064e-17 -16.722 -16.685 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -176346,14 +175428,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -176364,21 +175446,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.57 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.71 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -176402,7 +175484,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.713e-11 Surface + diffuse layer charge, eq + -9.741e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -176412,7 +175494,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -176421,14 +175503,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 3.6108e-17 - I 6.9411e-30 + Hto 3.6101e-17 + I 6.9441e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6289e-19 + Nat 2.6280e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -176447,30 +175529,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.060e-16 3.605e-17 + Hto 3.059e-16 3.604e-17 I 5.892e-17 6.942e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.473e-19 5.270e-20 + Nat 4.472e-19 5.268e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.349e-09 + Electrical balance (eq) = -1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -176481,11 +175563,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.778e-11 - CH4 3.778e-11 4.108e-11 -10.423 -10.386 0.036 35.46 +C(-4) 3.877e-11 + CH4 3.877e-11 4.215e-11 -10.412 -10.375 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -176494,10 +175576,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -176505,14 +175587,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.035e-11 - H2 1.018e-11 1.106e-11 -10.992 -10.956 0.036 28.61 -Hto 3.060e-16 - Hto 3.060e-16 3.060e-16 -15.514 -15.514 0.000 (0) + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.048e-11 + H2 1.024e-11 1.113e-11 -10.990 -10.953 0.036 28.61 +Hto 3.059e-16 + Hto 3.059e-16 3.059e-16 -15.514 -15.514 0.000 (0) I 5.892e-17 I- 5.892e-17 5.892e-17 -16.230 -16.230 -0.000 (0) K 1.540e-03 @@ -176524,22 +175606,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.473e-19 - Nat+ 4.473e-19 4.473e-19 -18.349 -18.349 -0.000 (0) +Nat 4.472e-19 + Nat+ 4.472e-19 4.472e-19 -18.350 -18.350 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 -S(-2) 5.919e-08 - HS- 4.140e-08 2.726e-08 -7.383 -7.565 -0.182 21.14 - H2S 1.779e-08 1.934e-08 -7.750 -7.714 0.036 36.27 - S-2 1.683e-13 4.056e-14 -12.774 -13.392 -0.618 (0) - (H2S)2 1.813e-17 1.971e-17 -16.742 -16.705 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.518 -70.482 0.036 30.40 +S(-2) 6.074e-08 + HS- 4.248e-08 2.797e-08 -7.372 -7.553 -0.182 21.14 + H2S 1.825e-08 1.985e-08 -7.739 -7.702 0.036 36.27 + S-2 1.727e-13 4.162e-14 -12.763 -13.381 -0.618 (0) + (H2S)2 1.909e-17 2.075e-17 -16.719 -16.683 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -176548,14 +175629,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -176566,21 +175647,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.39 -2.80 CH4 + CH4(g) -7.57 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -176604,7 +175685,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.713e-11 Surface + diffuse layer charge, eq + -9.741e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -176614,7 +175695,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -176623,14 +175704,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 3.1740e-18 - I 5.1904e-31 + Hto 3.1733e-18 + I 5.1894e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3707e-20 + Nat 1.3702e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -176649,30 +175730,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.690e-17 3.169e-18 + Hto 2.689e-17 3.168e-18 I 4.406e-18 5.190e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.332e-20 2.748e-21 + Nat 2.332e-20 2.747e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.349e-09 + Electrical balance (eq) = -1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -176683,11 +175764,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.782e-11 - CH4 3.782e-11 4.112e-11 -10.422 -10.386 0.036 35.46 +C(-4) 3.880e-11 + CH4 3.880e-11 4.219e-11 -10.411 -10.375 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -176696,10 +175777,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -176707,14 +175788,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.036e-11 - H2 1.018e-11 1.107e-11 -10.992 -10.956 0.036 28.61 -Hto 2.690e-17 - Hto 2.690e-17 2.690e-17 -16.570 -16.570 0.000 (0) + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.049e-11 + H2 1.024e-11 1.114e-11 -10.990 -10.953 0.036 28.61 +Hto 2.689e-17 + Hto 2.689e-17 2.689e-17 -16.570 -16.570 0.000 (0) I 4.406e-18 I- 4.406e-18 4.406e-18 -17.356 -17.356 -0.000 (0) K 1.540e-03 @@ -176726,22 +175807,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.332e-20 Nat+ 2.332e-20 2.332e-20 -19.632 -19.632 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 -S(-2) 5.925e-08 - HS- 4.144e-08 2.728e-08 -7.383 -7.564 -0.182 21.14 - H2S 1.781e-08 1.936e-08 -7.749 -7.713 0.036 36.27 - S-2 1.684e-13 4.060e-14 -12.774 -13.391 -0.618 (0) - (H2S)2 1.817e-17 1.975e-17 -16.741 -16.704 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.519 -70.482 0.036 30.40 +S(-2) 6.079e-08 + HS- 4.252e-08 2.799e-08 -7.371 -7.553 -0.182 21.14 + H2S 1.827e-08 1.986e-08 -7.738 -7.702 0.036 36.27 + S-2 1.728e-13 4.166e-14 -12.762 -13.380 -0.618 (0) + (H2S)2 1.912e-17 2.079e-17 -16.718 -16.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -176750,14 +175830,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -176768,21 +175848,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.39 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -176806,7 +175886,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.714e-11 Surface + diffuse layer charge, eq + -9.742e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -176816,7 +175896,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -176825,14 +175905,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 2.5226e-19 - I 3.5064e-32 + Hto 2.5220e-19 + I 3.5070e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.4452e-22 + Nat 6.4425e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -176851,30 +175931,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.138e-18 2.519e-19 + Hto 2.137e-18 2.518e-19 I 2.976e-19 3.506e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.097e-21 1.292e-22 + Nat 1.096e-21 1.292e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.348e-09 + Electrical balance (eq) = -1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -176885,11 +175965,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.783e-11 - CH4 3.783e-11 4.112e-11 -10.422 -10.386 0.036 35.46 +C(-4) 3.881e-11 + CH4 3.881e-11 4.220e-11 -10.411 -10.375 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -176898,10 +175978,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -176909,14 +175989,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.036e-11 - H2 1.018e-11 1.107e-11 -10.992 -10.956 0.036 28.61 -Hto 2.138e-18 - Hto 2.138e-18 2.138e-18 -17.670 -17.670 0.000 (0) + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.049e-11 + H2 1.024e-11 1.114e-11 -10.990 -10.953 0.036 28.61 +Hto 2.137e-18 + Hto 2.137e-18 2.137e-18 -17.670 -17.670 0.000 (0) I 2.976e-19 I- 2.976e-19 2.976e-19 -18.526 -18.526 -0.000 (0) K 1.540e-03 @@ -176928,22 +176008,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.097e-21 - Nat+ 1.097e-21 1.097e-21 -20.960 -20.960 -0.000 (0) +Nat 1.096e-21 + Nat+ 1.096e-21 1.096e-21 -20.960 -20.960 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 -S(-2) 5.926e-08 - HS- 4.145e-08 2.729e-08 -7.382 -7.564 -0.182 21.14 - H2S 1.781e-08 1.936e-08 -7.749 -7.713 0.036 36.27 - S-2 1.685e-13 4.061e-14 -12.774 -13.391 -0.618 (0) - (H2S)2 1.817e-17 1.976e-17 -16.741 -16.704 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.519 -70.482 0.036 30.40 +S(-2) 6.081e-08 + HS- 4.253e-08 2.800e-08 -7.371 -7.553 -0.182 21.14 + H2S 1.827e-08 1.987e-08 -7.738 -7.702 0.036 36.27 + S-2 1.729e-13 4.167e-14 -12.762 -13.380 -0.618 (0) + (H2S)2 1.913e-17 2.080e-17 -16.718 -16.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -176952,14 +176031,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -176970,21 +176049,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.39 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -177008,7 +176087,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.714e-11 Surface + diffuse layer charge, eq + -9.742e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -177018,7 +176097,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -177027,14 +176106,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 1.8149e-20 + Hto 1.8144e-20 I 2.1426e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.7261e-23 + Nat 2.7250e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -177053,30 +176132,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.538e-19 1.812e-20 + Hto 1.538e-19 1.811e-20 I 1.819e-20 2.143e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.639e-23 5.465e-24 + Nat 4.637e-23 5.463e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.348e-09 + Electrical balance (eq) = -1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -177087,11 +176166,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.783e-11 - CH4 3.783e-11 4.113e-11 -10.422 -10.386 0.036 35.46 +C(-4) 3.881e-11 + CH4 3.881e-11 4.220e-11 -10.411 -10.375 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -177100,10 +176179,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -177111,12 +176190,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.036e-11 - H2 1.018e-11 1.107e-11 -10.992 -10.956 0.036 28.61 + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.049e-11 + H2 1.024e-11 1.114e-11 -10.990 -10.953 0.036 28.61 Hto 1.538e-19 Hto 1.538e-19 1.538e-19 -18.813 -18.813 0.000 (0) I 1.819e-20 @@ -177130,22 +176209,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.639e-23 - Nat+ 4.639e-23 4.639e-23 -22.334 -22.334 -0.000 (0) +Nat 4.637e-23 + Nat+ 4.637e-23 4.637e-23 -22.334 -22.334 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 -S(-2) 5.926e-08 - HS- 4.145e-08 2.729e-08 -7.382 -7.564 -0.182 21.14 - H2S 1.781e-08 1.937e-08 -7.749 -7.713 0.036 36.27 - S-2 1.685e-13 4.061e-14 -12.773 -13.391 -0.618 (0) - (H2S)2 1.818e-17 1.976e-17 -16.741 -16.704 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.519 -70.482 0.036 30.40 +S(-2) 6.081e-08 + HS- 4.253e-08 2.800e-08 -7.371 -7.553 -0.182 21.14 + H2S 1.828e-08 1.987e-08 -7.738 -7.702 0.036 36.27 + S-2 1.729e-13 4.167e-14 -12.762 -13.380 -0.618 (0) + (H2S)2 1.914e-17 2.080e-17 -16.718 -16.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -177154,14 +176232,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -177172,21 +176250,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.39 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -177210,7 +176288,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.714e-11 Surface + diffuse layer charge, eq + -9.742e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -177220,7 +176298,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -177229,14 +176307,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 1.1829e-21 + Hto 1.1826e-21 I 1.1849e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.1711e-25 + Nat 8.1673e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -177260,25 +176338,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.390e-24 1.638e-25 + Nat 1.390e-24 1.637e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.348e-09 + Electrical balance (eq) = -1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -177289,11 +176367,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.783e-11 - CH4 3.783e-11 4.113e-11 -10.422 -10.386 0.036 35.46 +C(-4) 3.881e-11 + CH4 3.881e-11 4.220e-11 -10.411 -10.375 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -177302,10 +176380,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -177313,12 +176391,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.036e-11 - H2 1.018e-11 1.107e-11 -10.992 -10.956 0.036 28.61 + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.049e-11 + H2 1.024e-11 1.114e-11 -10.990 -10.953 0.036 28.61 Hto 1.002e-20 Hto 1.002e-20 1.002e-20 -19.999 -19.999 0.000 (0) I 1.006e-21 @@ -177332,22 +176410,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.390e-24 Nat+ 1.390e-24 1.390e-24 -23.857 -23.857 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 -S(-2) 5.927e-08 - HS- 4.145e-08 2.729e-08 -7.382 -7.564 -0.182 21.14 - H2S 1.781e-08 1.937e-08 -7.749 -7.713 0.036 36.27 - S-2 1.685e-13 4.061e-14 -12.773 -13.391 -0.618 (0) - (H2S)2 1.818e-17 1.976e-17 -16.740 -16.704 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.519 -70.482 0.036 30.40 +S(-2) 6.081e-08 + HS- 4.253e-08 2.800e-08 -7.371 -7.553 -0.182 21.14 + H2S 1.828e-08 1.987e-08 -7.738 -7.702 0.036 36.27 + S-2 1.729e-13 4.167e-14 -12.762 -13.380 -0.618 (0) + (H2S)2 1.914e-17 2.080e-17 -16.718 -16.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -177356,14 +176433,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -177374,21 +176451,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.39 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -177412,7 +176489,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.714e-11 Surface + diffuse layer charge, eq + -9.742e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -177422,7 +176499,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -177431,10 +176508,10 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 7.3509e-23 - I 6.1251e-36 + Hto 7.3488e-23 + I 6.1243e-36 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -177456,7 +176533,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.230e-22 7.339e-23 + Hto 6.228e-22 7.337e-23 I 5.199e-23 6.124e-24 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -177467,18 +176544,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.349e-09 + Electrical balance (eq) = -1.701e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -177489,11 +176566,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.783e-11 - CH4 3.783e-11 4.113e-11 -10.422 -10.386 0.036 35.46 +C(-4) 3.881e-11 + CH4 3.881e-11 4.220e-11 -10.411 -10.375 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -177502,10 +176579,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -177513,14 +176590,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.036e-11 - H2 1.018e-11 1.107e-11 -10.992 -10.956 0.036 28.61 -Hto 6.230e-22 - Hto 6.230e-22 6.230e-22 -21.206 -21.206 0.000 (0) + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.049e-11 + H2 1.024e-11 1.114e-11 -10.990 -10.953 0.036 28.61 +Hto 6.228e-22 + Hto 6.228e-22 6.228e-22 -21.206 -21.206 0.000 (0) I 5.199e-23 I- 5.199e-23 5.199e-23 -22.284 -22.284 -0.000 (0) K 1.540e-03 @@ -177532,20 +176609,19 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.513 -70.477 0.036 30.40 -S(-2) 5.927e-08 - HS- 4.145e-08 2.729e-08 -7.382 -7.564 -0.182 21.14 - H2S 1.781e-08 1.937e-08 -7.749 -7.713 0.036 36.27 - S-2 1.685e-13 4.061e-14 -12.773 -13.391 -0.618 (0) - (H2S)2 1.818e-17 1.976e-17 -16.740 -16.704 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.519 -70.482 0.036 30.40 +S(-2) 6.081e-08 + HS- 4.253e-08 2.800e-08 -7.371 -7.553 -0.182 21.14 + H2S 1.828e-08 1.987e-08 -7.738 -7.702 0.036 36.27 + S-2 1.729e-13 4.167e-14 -12.762 -13.380 -0.618 (0) + (H2S)2 1.914e-17 2.080e-17 -16.718 -16.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -177554,14 +176630,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -177572,21 +176648,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.39 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -177616,18 +176692,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -177641,8 +176717,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -177666,8 +176742,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -177687,16 +176763,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -177723,21 +176798,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -177765,18 +176840,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -177790,8 +176865,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -177815,8 +176890,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -177836,16 +176911,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -177872,21 +176946,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -177916,25 +176990,25 @@ Kinetics 3. K 1.540e-03 7.700e-04 Mg 1.720e-02 8.600e-03 Na 2.390e-01 1.195e-01 - Nat 2.969e-07 1.485e-07 + Nat 2.970e-07 1.485e-07 S 1.260e-02 6.300e-03 Sr 5.000e-04 2.500e-04 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.046 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.044 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.018e-12 + Electrical balance (eq) = -9.768e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -177948,8 +177022,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.804e-12 - CH4 2.804e-12 3.048e-12 -11.552 -11.516 0.036 35.46 +C(-4) 2.720e-12 + CH4 2.720e-12 2.958e-12 -11.565 -11.529 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -177973,8 +177047,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.062e-11 - H2 5.310e-12 5.773e-12 -11.275 -11.239 0.036 28.61 +H(0) 1.054e-11 + H2 5.269e-12 5.729e-12 -11.278 -11.242 0.036 28.61 Hto 5.297e-07 Hto 5.297e-07 5.297e-07 -6.276 -6.276 0.000 (0) I 7.089e-07 @@ -177994,16 +177068,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.969e-07 - Nat+ 2.969e-07 2.969e-07 -6.527 -6.527 -0.000 (0) +Nat 2.970e-07 + Nat+ 2.970e-07 2.970e-07 -6.527 -6.527 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.948 -69.912 0.036 30.40 -S(-2) 4.395e-09 - HS- 3.073e-09 2.023e-09 -8.512 -8.694 -0.182 21.14 - H2S 1.322e-09 1.438e-09 -8.879 -8.842 0.036 36.27 - S-2 1.247e-14 3.007e-15 -13.904 -14.522 -0.618 (0) - (H2S)2 1.002e-19 1.089e-19 -18.999 -18.963 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.941 -69.905 0.036 30.40 +S(-2) 4.264e-09 + HS- 2.982e-09 1.963e-09 -8.526 -8.707 -0.182 21.14 + H2S 1.283e-09 1.395e-09 -8.892 -8.856 0.036 36.27 + S-2 1.210e-14 2.917e-15 -13.917 -14.535 -0.618 (0) + (H2S)2 9.428e-20 1.025e-19 -19.026 -18.989 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -178030,21 +177103,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.71 -11.52 -2.80 CH4 + CH4(g) -8.73 -11.53 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.14 -11.24 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.85 -15.78 -7.94 H2S + H2S(g) -7.86 -15.80 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.02 -69.91 -2.89 O2 + O2(g) -67.01 -69.90 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.64 -0.75 4.88 S + Sulfur -5.65 -0.76 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -178068,7 +177141,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.946e-14 Surface + diffuse layer charge, eq + -5.007e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -178078,7 +177151,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -178090,11 +177163,11 @@ Su Cl 4.6651e-10 H 1.2948e-04 Hto 5.4426e-08 - I 7.2911e-20 + I 7.2898e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5669e-07 + Nat 1.5670e-07 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -178125,18 +177198,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.102 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.101 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.947e-09 + Electrical balance (eq) = 1.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -178150,8 +177223,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 7.844e-12 - CH4 7.844e-12 8.528e-12 -11.105 -11.069 0.036 35.46 +C(-4) 7.774e-12 + CH4 7.774e-12 8.453e-12 -11.109 -11.073 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -178175,8 +177248,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.373e-11 - H2 6.867e-12 7.466e-12 -11.163 -11.127 0.036 28.61 +H(0) 1.370e-11 + H2 6.852e-12 7.449e-12 -11.164 -11.128 0.036 28.61 Hto 4.612e-07 Hto 4.612e-07 4.612e-07 -6.336 -6.336 0.000 (0) I 6.188e-07 @@ -178196,16 +177269,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.666e-07 Nat+ 2.666e-07 2.666e-07 -6.574 -6.574 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.171 -70.135 0.036 30.40 -S(-2) 1.230e-08 - HS- 8.597e-09 5.660e-09 -8.066 -8.247 -0.182 21.14 - H2S 3.698e-09 4.021e-09 -8.432 -8.396 0.036 36.27 - S-2 3.490e-14 8.413e-15 -13.457 -14.075 -0.618 (0) - (H2S)2 7.836e-19 8.520e-19 -18.106 -18.070 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.169 -70.133 0.036 30.40 +S(-2) 1.219e-08 + HS- 8.521e-09 5.609e-09 -8.070 -8.251 -0.182 21.14 + H2S 3.666e-09 3.985e-09 -8.436 -8.400 0.036 36.27 + S-2 3.459e-14 8.338e-15 -13.461 -14.079 -0.618 (0) + (H2S)2 7.698e-19 8.369e-19 -18.114 -18.077 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -178239,7 +177311,7 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.03 -11.13 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.40 -15.34 -7.94 H2S + H2S(g) -7.41 -15.34 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -178270,7 +177342,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.469e-11 Surface + diffuse layer charge, eq + -9.468e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -178280,7 +177352,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -178292,11 +177364,11 @@ Su Cl 4.6616e-10 H 1.2949e-04 Hto 3.4257e-08 - I 4.2239e-20 + I 4.2246e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.7131e-08 + Nat 8.7130e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -178327,19 +177399,19 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.169 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.325e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.854e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -178352,8 +177424,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.120e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.667e-11 - CH4 2.667e-11 2.900e-11 -10.574 -10.538 0.036 35.46 +C(-4) 2.671e-11 + CH4 2.671e-11 2.904e-11 -10.573 -10.537 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -178377,8 +177449,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.865e-11 - H2 9.327e-12 1.014e-11 -11.030 -10.994 0.036 28.61 +H(0) 1.866e-11 + H2 9.330e-12 1.014e-11 -11.030 -10.994 0.036 28.61 Hto 2.903e-07 Hto 2.903e-07 2.903e-07 -6.537 -6.537 0.000 (0) I 3.585e-07 @@ -178398,16 +177470,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.483e-07 Nat+ 1.483e-07 1.483e-07 -6.829 -6.829 -0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.437 -70.401 0.036 30.40 -S(-2) 4.180e-08 - HS- 2.923e-08 1.924e-08 -7.534 -7.716 -0.182 21.14 - H2S 1.256e-08 1.366e-08 -7.901 -7.865 0.036 36.27 - S-2 1.187e-13 2.862e-14 -12.925 -13.543 -0.618 (0) - (H2S)2 9.045e-18 9.834e-18 -17.044 -17.007 0.036 30.09 +S(-2) 4.185e-08 + HS- 2.927e-08 1.927e-08 -7.534 -7.715 -0.182 21.14 + H2S 1.258e-08 1.368e-08 -7.900 -7.864 0.036 36.27 + S-2 1.189e-13 2.866e-14 -12.925 -13.543 -0.618 (0) + (H2S)2 9.068e-18 9.859e-18 -17.042 -17.006 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -178472,7 +177543,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.741e-11 Surface + diffuse layer charge, eq + -9.744e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -178482,7 +177553,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -178494,11 +177565,11 @@ Su Cl 4.6602e-10 H 1.2950e-04 Hto 1.7659e-08 - I 1.9720e-20 + I 1.9717e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5023e-08 + Nat 3.5022e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -178522,7 +177593,7 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.960e-08 7.021e-09 + Nat 5.959e-08 7.021e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 @@ -178530,17 +177601,17 @@ Su pH = 7.091 Charge balance pe = -3.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.447e-09 + Electrical balance (eq) = -1.797e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -178554,8 +177625,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.448e-11 - CH4 3.448e-11 3.749e-11 -10.462 -10.426 0.036 35.46 +C(-4) 3.479e-11 + CH4 3.479e-11 3.783e-11 -10.459 -10.422 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -178579,8 +177650,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 1.989e-11 - H2 9.946e-12 1.081e-11 -11.002 -10.966 0.036 28.61 +H(0) 1.994e-11 + H2 9.968e-12 1.084e-11 -11.001 -10.965 0.036 28.61 Hto 1.497e-07 Hto 1.497e-07 1.497e-07 -6.825 -6.825 0.000 (0) I 1.674e-07 @@ -178600,16 +177671,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) -Nat 5.960e-08 - Nat+ 5.960e-08 5.960e-08 -7.225 -7.225 -0.000 (0) +Nat 5.959e-08 + Nat+ 5.959e-08 5.959e-08 -7.225 -7.225 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.493 -70.457 0.036 30.40 -S(-2) 5.402e-08 - HS- 3.779e-08 2.488e-08 -7.423 -7.604 -0.182 21.14 - H2S 1.624e-08 1.765e-08 -7.789 -7.753 0.036 36.27 - S-2 1.536e-13 3.701e-14 -12.814 -13.432 -0.618 (0) - (H2S)2 1.511e-17 1.642e-17 -16.821 -16.785 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.495 -70.459 0.036 30.40 +S(-2) 5.451e-08 + HS- 3.813e-08 2.510e-08 -7.419 -7.600 -0.182 21.14 + H2S 1.638e-08 1.781e-08 -7.786 -7.749 0.036 36.27 + S-2 1.549e-13 3.735e-14 -12.810 -13.428 -0.618 (0) + (H2S)2 1.538e-17 1.672e-17 -16.813 -16.777 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -178636,21 +177706,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.62 -10.43 -2.80 CH4 + CH4(g) -7.62 -10.42 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.97 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.76 -14.69 -7.94 H2S + H2S(g) -6.75 -14.69 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.56 -70.46 -2.89 O2 + O2(g) -67.57 -70.46 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.82 0.06 4.88 S + Sulfur -4.82 0.07 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -178674,7 +177744,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.778e-11 Surface + diffuse layer charge, eq + -9.796e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -178684,7 +177754,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -178693,14 +177763,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6596e-10 H 1.2950e-04 - Hto 7.5362e-09 + Hto 7.5360e-09 I 7.5125e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0738e-08 + Nat 1.0737e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -178719,30 +177789,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.387e-08 7.524e-09 + Hto 6.386e-08 7.524e-09 I 6.377e-08 7.512e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.827e-08 2.153e-09 + Nat 1.827e-08 2.152e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.453e-09 + Electrical balance (eq) = -1.804e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -178753,11 +177823,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.744e-11 - CH4 3.744e-11 4.070e-11 -10.427 -10.390 0.036 35.46 +C(-4) 3.806e-11 + CH4 3.806e-11 4.138e-11 -10.419 -10.383 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -178766,7 +177836,7 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 @@ -178781,10 +177851,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.030e-11 - H2 1.015e-11 1.104e-11 -10.993 -10.957 0.036 28.61 -Hto 6.387e-08 - Hto 6.387e-08 6.387e-08 -7.195 -7.195 0.000 (0) +H(0) 2.039e-11 + H2 1.019e-11 1.108e-11 -10.992 -10.955 0.036 28.61 +Hto 6.386e-08 + Hto 6.386e-08 6.386e-08 -7.195 -7.195 0.000 (0) I 6.377e-08 I- 6.377e-08 6.377e-08 -7.195 -7.195 -0.000 (0) K 1.540e-03 @@ -178796,22 +177866,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.827e-08 Nat+ 1.827e-08 1.827e-08 -7.738 -7.738 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.511 -70.475 0.036 30.40 -S(-2) 5.865e-08 - HS- 4.103e-08 2.701e-08 -7.387 -7.569 -0.182 21.14 - H2S 1.763e-08 1.917e-08 -7.754 -7.717 0.036 36.27 - S-2 1.667e-13 4.019e-14 -12.778 -13.396 -0.618 (0) - (H2S)2 1.780e-17 1.936e-17 -16.749 -16.713 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.514 -70.478 0.036 30.40 +S(-2) 5.963e-08 + HS- 4.171e-08 2.746e-08 -7.380 -7.561 -0.182 21.14 + H2S 1.792e-08 1.949e-08 -7.747 -7.710 0.036 36.27 + S-2 1.695e-13 4.086e-14 -12.771 -13.389 -0.618 (0) + (H2S)2 1.840e-17 2.001e-17 -16.735 -16.699 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -178827,7 +177896,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -178838,21 +177907,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.72 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.47 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.79 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -178876,7 +177945,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.766e-11 Surface + diffuse layer charge, eq + -9.792e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -178886,7 +177955,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -178895,14 +177964,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6596e-10 + Cl 4.6594e-10 H 1.2950e-04 - Hto 2.6979e-09 - I 2.3744e-21 + Hto 2.6978e-09 + I 2.3740e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6157e-09 + Nat 2.6155e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -178921,232 +177990,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.286e-08 2.694e-09 + Hto 2.286e-08 2.693e-09 I 2.015e-08 2.374e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.451e-09 5.244e-10 - S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.891e-05 - -----------------------------Description of solution---------------------------- - - pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 - Density (g/cm³) = 1.01108 - Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 - Activity of water = 0.990 - Ionic strength (mol/kgw) = 3.632e-01 - Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.501e-03 - Total CO2 (mol/kg) = 2.744e-03 - Temperature (°C) = 25.00 - Electrical balance (eq) = -1.449e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (14 overall) - Total H = 1.307863e+01 - Total O = 6.546049e+00 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 - H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.839e-11 - CH4 3.839e-11 4.174e-11 -10.416 -10.379 0.036 35.46 -C(4) 2.744e-03 - HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 -Ca 2.590e-02 - Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) -Cl 3.000e-01 - Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.043e-11 - H2 1.022e-11 1.111e-11 -10.991 -10.954 0.036 28.61 -Hto 2.286e-08 - Hto 2.286e-08 2.286e-08 -7.641 -7.641 0.000 (0) -I 2.015e-08 - I- 2.015e-08 2.015e-08 -7.696 -7.696 -0.000 (0) -K 1.540e-03 - K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 -Mg 1.720e-02 - Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) -Na 2.390e-01 - Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.451e-09 - Nat+ 4.451e-09 4.451e-09 -8.352 -8.352 -0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.516 -70.480 0.036 30.40 -S(-2) 6.015e-08 - HS- 4.207e-08 2.770e-08 -7.376 -7.558 -0.182 21.14 - H2S 1.808e-08 1.965e-08 -7.743 -7.707 0.036 36.27 - S-2 1.710e-13 4.122e-14 -12.767 -13.385 -0.618 (0) - (H2S)2 1.872e-17 2.035e-17 -16.728 -16.691 0.036 30.09 -S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) -Sr 5.000e-04 - Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - Anhydrite -0.81 -5.09 -4.28 CaSO4 - Aragonite 0.10 -8.23 -8.34 CaCO3 - Arcanite -7.03 -8.91 -1.88 K2SO4 - Calcite 0.25 -8.23 -8.48 CaCO3 - Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 - CO2(g) -2.09 -3.56 -1.47 CO2 - Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 - Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O - Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S - Halite -3.04 -1.47 1.57 NaCl - Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O - Kieserite -4.08 -5.24 -1.16 MgSO4:H2O - Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 - Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S - Sylvite -4.59 -3.69 0.90 KCl - Thenardite -4.16 -4.46 -0.30 Na2SO4 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Using solution 9. Solution after simulation 4. -Using surface 9. -Using kinetics 9. - -Kinetics 9. - - Time: 2.4e+07 seconds - Time step: 600000 seconds - - Rate name Delta Moles Total Moles Reactant Coefficient - - -------------------------------Surface composition------------------------------ - -Diffuse Double Layer Surface-Complexation Model - -Su - -9.751e-11 Surface + diffuse layer charge, eq - -3.770e-01 Surface charge, eq - -3.638e-01 sigma, C/m² - -1.203e-01 psi, V - 4.681e+00 -F*psi/RT - 1.079e+02 exp(-F*psi/RT) - 1.000e+05 specific area, m²/g - 1.000e+05 m² for 1.000e+00 g - - Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. - - Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = -4.125e-02 V. - Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). - - Element Moles - C 1.6143e-04 - Ca 7.1884e-02 - Cl 4.6596e-10 - H 1.2950e-04 - Hto 8.2068e-10 - I 6.3207e-22 - K 8.9156e-04 - Mg 4.6365e-02 - Na 1.3761e-01 - Nat 5.2183e-10 - O 1.7087e-03 - S 3.1372e-04 - Sr 1.3747e-03 - -Su - 3.770e-01 moles - Mole Log - Species Moles Fraction Molality Molality - - Su- 3.770e-01 1.000 3.200e+00 0.505 - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - C 2.744e-03 3.233e-04 - Ca 2.590e-02 3.051e-03 - Cl 3.000e-01 3.535e-02 - Hto 6.955e-09 8.194e-10 - I 5.364e-09 6.319e-10 - K 1.540e-03 1.814e-04 - Mg 1.720e-02 2.026e-03 - Na 2.390e-01 2.816e-02 - Nat 8.879e-10 1.046e-10 + Nat 4.451e-09 5.243e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.447e-09 + Electrical balance (eq) = -1.801e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -179160,8 +178027,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.858e-11 - CH4 3.858e-11 4.194e-11 -10.414 -10.377 0.036 35.46 +C(-4) 3.923e-11 + CH4 3.923e-11 4.265e-11 -10.406 -10.370 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -179181,12 +178048,213 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.046e-11 - H2 1.023e-11 1.112e-11 -10.990 -10.954 0.036 28.61 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.054e-11 + H2 1.027e-11 1.117e-11 -10.988 -10.952 0.036 28.61 +Hto 2.286e-08 + Hto 2.286e-08 2.286e-08 -7.641 -7.641 0.000 (0) +I 2.015e-08 + I- 2.015e-08 2.015e-08 -7.696 -7.696 -0.000 (0) +K 1.540e-03 + K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 +Mg 1.720e-02 + Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) +Na 2.390e-01 + Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 4.451e-09 + Nat+ 4.451e-09 4.451e-09 -8.352 -8.352 -0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.521 -70.485 0.036 30.40 +S(-2) 6.146e-08 + HS- 4.299e-08 2.830e-08 -7.367 -7.548 -0.182 21.14 + H2S 1.847e-08 2.008e-08 -7.734 -7.697 0.036 36.27 + S-2 1.747e-13 4.212e-14 -12.758 -13.376 -0.618 (0) + (H2S)2 1.955e-17 2.125e-17 -16.709 -16.673 0.036 30.09 +S(6) 1.260e-02 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) +Sr 5.000e-04 + Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Anhydrite -0.81 -5.09 -4.28 CaSO4 + Aragonite 0.10 -8.23 -8.34 CaCO3 + Arcanite -7.03 -8.91 -1.88 K2SO4 + Calcite 0.25 -8.23 -8.48 CaCO3 + Celestite -0.15 -6.81 -6.66 SrSO4 + CH4(g) -7.57 -10.37 -2.80 CH4 + CO2(g) -2.09 -3.56 -1.47 CO2 + Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 + Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O + Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O + H2(g) -7.85 -10.95 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + H2S(g) -6.70 -14.64 -7.94 H2S + Halite -3.04 -1.47 1.57 NaCl + Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O + Kieserite -4.08 -5.24 -1.16 MgSO4:H2O + Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O + O2(g) -67.59 -70.48 -2.89 O2 + Strontianite -0.68 -9.95 -9.27 SrCO3 + Sulfur -4.78 0.10 4.88 S + Sylvite -4.59 -3.69 0.90 KCl + Thenardite -4.16 -4.46 -0.30 Na2SO4 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 9. Solution after simulation 4. +Using surface 9. +Using kinetics 9. + +Kinetics 9. + + Time: 2.4e+07 seconds + Time step: 600000 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + +------------------------------Surface composition------------------------------ + +Diffuse Double Layer Surface-Complexation Model + +Su + -9.779e-11 Surface + diffuse layer charge, eq + -3.770e-01 Surface charge, eq + -3.638e-01 sigma, C/m² + -1.203e-01 psi, V + 4.681e+00 -F*psi/RT + 1.079e+02 exp(-F*psi/RT) + 1.000e+05 specific area, m²/g + 1.000e+05 m² for 1.000e+00 g + + Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. + viscosity: 0.92734 mPa s for DDL water. + + Total moles in diffuse layer (excluding water), Donnan calculation. + Donnan Layer potential, psi_DL = -4.125e-02 V. + Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). + + Element Moles + C 1.6143e-04 + Ca 7.1884e-02 + Cl 4.6594e-10 + H 1.2950e-04 + Hto 8.2063e-10 + I 6.3217e-22 + K 8.9156e-04 + Mg 4.6365e-02 + Na 1.3761e-01 + Nat 5.2177e-10 + O 1.7087e-03 + S 3.1372e-04 + Sr 1.3747e-03 + +Su + 3.770e-01 moles + Mole Log + Species Moles Fraction Molality Molality + + Su- 3.770e-01 1.000 3.200e+00 0.505 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + C 2.744e-03 3.233e-04 + Ca 2.590e-02 3.051e-03 + Cl 3.000e-01 3.535e-02 + Hto 6.955e-09 8.193e-10 + I 5.364e-09 6.319e-10 + K 1.540e-03 1.814e-04 + Mg 1.720e-02 2.026e-03 + Na 2.390e-01 2.816e-02 + Nat 8.879e-10 1.046e-10 + S 1.260e-02 1.484e-03 + Sr 5.000e-04 5.891e-05 + +----------------------------Description of solution---------------------------- + + pH = 7.091 Charge balance + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 + Density (g/cm³) = 1.01108 + Volume (L) = 0.11874 + Viscosity (mPa s) = 0.92734 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.632e-01 + Mass of water (kg) = 1.178e-01 + Total alkalinity (eq/kg) = 2.501e-03 + Total CO2 (mol/kg) = 2.744e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.799e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 (14 overall) + Total H = 1.307863e+01 + Total O = 6.546049e+00 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 +C(-4) 3.952e-11 + CH4 3.952e-11 4.297e-11 -10.403 -10.367 0.036 35.46 +C(4) 2.744e-03 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.022e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 +Ca 2.590e-02 + Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.022e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) +Cl 3.000e-01 + Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.058e-11 + H2 1.029e-11 1.119e-11 -10.988 -10.951 0.036 28.61 Hto 6.955e-09 Hto 6.955e-09 6.955e-09 -8.158 -8.158 0.000 (0) I 5.364e-09 @@ -179206,16 +178274,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 8.879e-10 Nat+ 8.879e-10 8.879e-10 -9.052 -9.052 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.517 -70.481 0.036 30.40 -S(-2) 6.044e-08 - HS- 4.228e-08 2.783e-08 -7.374 -7.555 -0.182 21.14 - H2S 1.817e-08 1.975e-08 -7.741 -7.704 0.036 36.27 - S-2 1.718e-13 4.142e-14 -12.765 -13.383 -0.618 (0) - (H2S)2 1.890e-17 2.055e-17 -16.723 -16.687 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.523 -70.486 0.036 30.40 +S(-2) 6.191e-08 + HS- 4.331e-08 2.851e-08 -7.363 -7.545 -0.182 21.14 + H2S 1.861e-08 2.023e-08 -7.730 -7.694 0.036 36.27 + S-2 1.760e-13 4.243e-14 -12.754 -13.372 -0.618 (0) + (H2S)2 1.983e-17 2.156e-17 -16.703 -16.666 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -179225,7 +178292,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -179242,21 +178309,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S + H2S(g) -6.70 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.59 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -179280,7 +178347,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.740e-11 Surface + diffuse layer charge, eq + -9.768e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -179290,7 +178357,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -179299,14 +178366,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6596e-10 + Cl 4.6594e-10 H 1.2950e-04 - Hto 2.1462e-10 + Hto 2.1461e-10 I 1.4370e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.7209e-11 + Nat 8.7197e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -179337,18 +178404,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.445e-09 + Electrical balance (eq) = -1.797e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -179362,8 +178429,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.846e-11 - CH4 3.846e-11 4.181e-11 -10.415 -10.379 0.036 35.46 +C(-4) 3.943e-11 + CH4 3.943e-11 4.287e-11 -10.404 -10.368 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -179372,8 +178439,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -179383,12 +178450,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.044e-11 - H2 1.022e-11 1.111e-11 -10.991 -10.954 0.036 28.61 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.057e-11 + H2 1.029e-11 1.118e-11 -10.988 -10.951 0.036 28.61 Hto 1.819e-09 Hto 1.819e-09 1.819e-09 -8.740 -8.740 0.000 (0) I 1.220e-09 @@ -179402,22 +178469,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.484e-10 Nat+ 1.484e-10 1.484e-10 -9.829 -9.829 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.517 -70.480 0.036 30.40 -S(-2) 6.025e-08 - HS- 4.214e-08 2.774e-08 -7.375 -7.557 -0.182 21.14 - H2S 1.811e-08 1.969e-08 -7.742 -7.706 0.036 36.27 - S-2 1.713e-13 4.128e-14 -12.766 -13.384 -0.618 (0) - (H2S)2 1.878e-17 2.042e-17 -16.726 -16.690 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.522 -70.486 0.036 30.40 +S(-2) 6.177e-08 + HS- 4.321e-08 2.844e-08 -7.364 -7.546 -0.182 21.14 + H2S 1.856e-08 2.018e-08 -7.731 -7.695 0.036 36.27 + S-2 1.756e-13 4.233e-14 -12.755 -13.373 -0.618 (0) + (H2S)2 1.975e-17 2.147e-17 -16.705 -16.668 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -179427,7 +178493,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -179444,21 +178510,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S + H2S(g) -6.70 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.59 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.78 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -179482,7 +178548,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.728e-11 Surface + diffuse layer charge, eq + -9.756e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -179492,7 +178558,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -179501,14 +178567,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6596e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 4.8743e-11 - I 2.8231e-23 + Hto 4.8739e-11 + I 2.8224e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2422e-11 + Nat 1.2420e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -179527,30 +178593,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.131e-10 4.866e-11 + Hto 4.130e-10 4.866e-11 I 2.396e-10 2.823e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.114e-11 2.490e-12 + Nat 2.113e-11 2.490e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.282e-10 + Electrical balance (eq) = -1.282e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -179564,8 +178630,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.822e-11 - CH4 3.822e-11 4.155e-11 -10.418 -10.381 0.036 35.46 +C(-4) 3.920e-11 + CH4 3.920e-11 4.262e-11 -10.407 -10.370 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -179574,10 +178640,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -179585,14 +178651,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.041e-11 - H2 1.020e-11 1.110e-11 -10.991 -10.955 0.036 28.61 -Hto 4.131e-10 - Hto 4.131e-10 4.131e-10 -9.384 -9.384 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.054e-11 + H2 1.027e-11 1.117e-11 -10.988 -10.952 0.036 28.61 +Hto 4.130e-10 + Hto 4.130e-10 4.130e-10 -9.384 -9.384 0.000 (0) I 2.396e-10 I- 2.396e-10 2.396e-10 -9.621 -9.621 -0.000 (0) K 1.540e-03 @@ -179604,22 +178670,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.114e-11 - Nat+ 2.114e-11 2.114e-11 -10.675 -10.675 -0.000 (0) +Nat 2.113e-11 + Nat+ 2.113e-11 2.113e-11 -10.675 -10.675 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.515 -70.479 0.036 30.40 -S(-2) 5.987e-08 - HS- 4.188e-08 2.757e-08 -7.378 -7.560 -0.182 21.14 - H2S 1.799e-08 1.956e-08 -7.745 -7.709 0.036 36.27 - S-2 1.702e-13 4.103e-14 -12.769 -13.387 -0.618 (0) - (H2S)2 1.855e-17 2.017e-17 -16.732 -16.695 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.521 -70.485 0.036 30.40 +S(-2) 6.142e-08 + HS- 4.296e-08 2.828e-08 -7.367 -7.549 -0.182 21.14 + H2S 1.846e-08 2.007e-08 -7.734 -7.698 0.036 36.27 + S-2 1.746e-13 4.209e-14 -12.758 -13.376 -0.618 (0) + (H2S)2 1.952e-17 2.122e-17 -16.710 -16.673 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -179628,13 +178693,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -179646,21 +178711,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S + H2S(g) -6.70 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.10 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -179684,7 +178749,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.720e-11 Surface + diffuse layer charge, eq + -9.748e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -179694,7 +178759,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -179703,14 +178768,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 9.6972e-12 + Hto 9.6963e-12 I 4.8395e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5286e-12 + Nat 1.5284e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -179729,7 +178794,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.218e-11 9.682e-12 + Hto 8.217e-11 9.681e-12 I 4.107e-11 4.839e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -179741,18 +178806,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.784e-10 + Electrical balance (eq) = -1.230e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -179766,8 +178831,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.802e-11 - CH4 3.802e-11 4.133e-11 -10.420 -10.384 0.036 35.46 +C(-4) 3.901e-11 + CH4 3.901e-11 4.241e-11 -10.409 -10.373 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -179776,10 +178841,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -179787,14 +178852,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.038e-11 - H2 1.019e-11 1.108e-11 -10.992 -10.955 0.036 28.61 -Hto 8.218e-11 - Hto 8.218e-11 8.218e-11 -10.085 -10.085 0.000 (0) + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.051e-11 + H2 1.026e-11 1.115e-11 -10.989 -10.953 0.036 28.61 +Hto 8.217e-11 + Hto 8.217e-11 8.217e-11 -10.085 -10.085 0.000 (0) I 4.107e-11 I- 4.107e-11 4.107e-11 -10.386 -10.386 -0.000 (0) K 1.540e-03 @@ -179806,22 +178871,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.601e-12 Nat+ 2.601e-12 2.601e-12 -11.585 -11.585 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.514 -70.478 0.036 30.40 -S(-2) 5.956e-08 - HS- 4.166e-08 2.743e-08 -7.380 -7.562 -0.182 21.14 - H2S 1.790e-08 1.946e-08 -7.747 -7.711 0.036 36.27 - S-2 1.693e-13 4.082e-14 -12.771 -13.389 -0.618 (0) - (H2S)2 1.836e-17 1.996e-17 -16.736 -16.700 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.520 -70.483 0.036 30.40 +S(-2) 6.111e-08 + HS- 4.274e-08 2.814e-08 -7.369 -7.551 -0.182 21.14 + H2S 1.837e-08 1.997e-08 -7.736 -7.700 0.036 36.27 + S-2 1.737e-13 4.188e-14 -12.760 -13.378 -0.618 (0) + (H2S)2 1.932e-17 2.101e-17 -16.714 -16.678 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -179830,13 +178894,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -179848,21 +178912,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -179886,7 +178950,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.715e-11 Surface + diffuse layer charge, eq + -9.743e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -179896,7 +178960,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -179905,14 +178969,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 1.7024e-12 - I 7.2984e-25 + Hto 1.7022e-12 + I 7.2964e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6424e-13 + Nat 1.6421e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -179931,30 +178995,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.443e-11 1.700e-12 + Hto 1.443e-11 1.699e-12 I 6.194e-12 7.297e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.795e-13 3.293e-14 + Nat 2.794e-13 3.292e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.334e-09 + Electrical balance (eq) = -1.686e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -179968,8 +179032,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.794e-11 - CH4 3.794e-11 4.125e-11 -10.421 -10.385 0.036 35.46 +C(-4) 3.892e-11 + CH4 3.892e-11 4.232e-11 -10.410 -10.373 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -179978,10 +179042,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -179989,12 +179053,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.037e-11 - H2 1.019e-11 1.107e-11 -10.992 -10.956 0.036 28.61 + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.050e-11 + H2 1.025e-11 1.115e-11 -10.989 -10.953 0.036 28.61 Hto 1.443e-11 Hto 1.443e-11 1.443e-11 -10.841 -10.841 0.000 (0) I 6.194e-12 @@ -180008,22 +179072,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.795e-13 - Nat+ 2.795e-13 2.795e-13 -12.554 -12.554 -0.000 (0) +Nat 2.794e-13 + Nat+ 2.794e-13 2.794e-13 -12.554 -12.554 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.514 -70.477 0.036 30.40 -S(-2) 5.944e-08 - HS- 4.157e-08 2.737e-08 -7.381 -7.563 -0.182 21.14 - H2S 1.786e-08 1.942e-08 -7.748 -7.712 0.036 36.27 - S-2 1.690e-13 4.073e-14 -12.772 -13.390 -0.618 (0) - (H2S)2 1.828e-17 1.988e-17 -16.738 -16.702 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.519 -70.483 0.036 30.40 +S(-2) 6.098e-08 + HS- 4.265e-08 2.808e-08 -7.370 -7.552 -0.182 21.14 + H2S 1.833e-08 1.993e-08 -7.737 -7.701 0.036 36.27 + S-2 1.734e-13 4.179e-14 -12.761 -13.379 -0.618 (0) + (H2S)2 1.924e-17 2.092e-17 -16.716 -16.679 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -180032,13 +179095,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -180050,21 +179113,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -180088,7 +179151,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.715e-11 Surface + diffuse layer charge, eq + -9.743e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -180098,7 +179161,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -180107,14 +179170,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6597e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 2.6533e-13 - I 9.7465e-26 + Hto 2.6530e-13 + I 9.7453e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5540e-14 + Nat 1.5536e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -180133,7 +179196,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.249e-12 2.649e-13 + Hto 2.248e-12 2.649e-13 I 8.272e-13 9.745e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -180145,18 +179208,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.348e-09 + Electrical balance (eq) = -1.700e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -180170,8 +179233,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.799e-11 - CH4 3.799e-11 4.130e-11 -10.420 -10.384 0.036 35.46 +C(-4) 3.898e-11 + CH4 3.898e-11 4.238e-11 -10.409 -10.373 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -180180,10 +179243,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -180191,14 +179254,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.038e-11 - H2 1.019e-11 1.108e-11 -10.992 -10.956 0.036 28.61 -Hto 2.249e-12 - Hto 2.249e-12 2.249e-12 -11.648 -11.648 0.000 (0) + HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) +H(0) 2.051e-11 + H2 1.026e-11 1.115e-11 -10.989 -10.953 0.036 28.61 +Hto 2.248e-12 + Hto 2.248e-12 2.248e-12 -11.648 -11.648 0.000 (0) I 8.272e-13 I- 8.272e-13 8.272e-13 -12.082 -12.082 -0.000 (0) K 1.540e-03 @@ -180210,22 +179273,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.644e-14 Nat+ 2.644e-14 2.644e-14 -13.578 -13.578 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.514 -70.478 0.036 30.40 -S(-2) 5.952e-08 - HS- 4.163e-08 2.741e-08 -7.381 -7.562 -0.182 21.14 - H2S 1.789e-08 1.945e-08 -7.747 -7.711 0.036 36.27 - S-2 1.692e-13 4.079e-14 -12.772 -13.389 -0.618 (0) - (H2S)2 1.833e-17 1.993e-17 -16.737 -16.700 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.520 -70.483 0.036 30.40 +S(-2) 6.107e-08 + HS- 4.271e-08 2.812e-08 -7.369 -7.551 -0.182 21.14 + H2S 1.835e-08 1.995e-08 -7.736 -7.700 0.036 36.27 + S-2 1.736e-13 4.185e-14 -12.760 -13.378 -0.618 (0) + (H2S)2 1.930e-17 2.098e-17 -16.715 -16.678 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -180234,13 +179296,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -180252,21 +179314,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.96 -3.10 H2 + H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.09 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -180290,7 +179352,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.722e-11 Surface + diffuse layer charge, eq + -9.751e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -180300,7 +179362,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -180309,14 +179371,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6596e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 3.6907e-14 - I 1.1593e-26 + Hto 3.6901e-14 + I 1.1592e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3037e-15 + Nat 1.3034e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -180335,31 +179397,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.128e-13 3.685e-14 + Hto 3.127e-13 3.684e-14 I 9.840e-14 1.159e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.218e-15 2.614e-16 + Nat 2.218e-15 2.613e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.429e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.092e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -180372,8 +179434,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.819e-11 - CH4 3.819e-11 4.152e-11 -10.418 -10.382 0.036 35.46 +C(-4) 3.918e-11 + CH4 3.918e-11 4.259e-11 -10.407 -10.371 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -180382,10 +179444,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -180393,14 +179455,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.041e-11 - H2 1.020e-11 1.109e-11 -10.991 -10.955 0.036 28.61 -Hto 3.128e-13 - Hto 3.128e-13 3.128e-13 -12.505 -12.505 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.054e-11 + H2 1.027e-11 1.116e-11 -10.988 -10.952 0.036 28.61 +Hto 3.127e-13 + Hto 3.127e-13 3.127e-13 -12.505 -12.505 0.000 (0) I 9.840e-14 I- 9.840e-14 9.840e-14 -13.007 -13.007 -0.000 (0) K 1.540e-03 @@ -180412,22 +179474,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.218e-15 Nat+ 2.218e-15 2.218e-15 -14.654 -14.654 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.515 -70.479 0.036 30.40 -S(-2) 5.983e-08 - HS- 4.185e-08 2.755e-08 -7.378 -7.560 -0.182 21.14 - H2S 1.798e-08 1.955e-08 -7.745 -7.709 0.036 36.27 - S-2 1.701e-13 4.100e-14 -12.769 -13.387 -0.618 (0) - (H2S)2 1.852e-17 2.014e-17 -16.732 -16.696 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.521 -70.484 0.036 30.40 +S(-2) 6.138e-08 + HS- 4.293e-08 2.826e-08 -7.367 -7.549 -0.182 21.14 + H2S 1.845e-08 2.005e-08 -7.734 -7.698 0.036 36.27 + S-2 1.745e-13 4.206e-14 -12.758 -13.376 -0.618 (0) + (H2S)2 1.949e-17 2.119e-17 -16.710 -16.674 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -180436,13 +179497,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -180454,21 +179515,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S + H2S(g) -6.70 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.79 0.10 4.88 S + Sulfur -4.78 0.10 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -180492,7 +179553,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.731e-11 Surface + diffuse layer charge, eq + -9.759e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -180502,7 +179563,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -180511,14 +179572,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6596e-10 + Cl 4.6594e-10 H 1.2950e-04 - Hto 4.6011e-15 + Hto 4.6004e-15 I 1.2340e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.7521e-17 + Nat 9.7493e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -180537,30 +179598,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.899e-14 4.594e-15 + Hto 3.899e-14 4.593e-15 I 1.047e-14 1.234e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.659e-16 1.955e-17 + Nat 1.659e-16 1.954e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.443e-09 + Electrical balance (eq) = -1.795e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -180574,8 +179635,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.847e-11 - CH4 3.847e-11 4.183e-11 -10.415 -10.379 0.036 35.46 +C(-4) 3.946e-11 + CH4 3.946e-11 4.290e-11 -10.404 -10.368 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -180585,7 +179646,7 @@ C(4) 2.744e-03 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -180595,12 +179656,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.044e-11 - H2 1.022e-11 1.111e-11 -10.990 -10.954 0.036 28.61 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.057e-11 + H2 1.029e-11 1.118e-11 -10.988 -10.951 0.036 28.61 Hto 3.899e-14 Hto 3.899e-14 3.899e-14 -13.409 -13.409 0.000 (0) I 1.047e-14 @@ -180620,16 +179681,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.659e-16 Nat+ 1.659e-16 1.659e-16 -15.780 -15.780 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.517 -70.480 0.036 30.40 -S(-2) 6.027e-08 - HS- 4.216e-08 2.775e-08 -7.375 -7.557 -0.182 21.14 - H2S 1.811e-08 1.969e-08 -7.742 -7.706 0.036 36.27 - S-2 1.713e-13 4.130e-14 -12.766 -13.384 -0.618 (0) - (H2S)2 1.880e-17 2.044e-17 -16.726 -16.690 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.522 -70.486 0.036 30.40 +S(-2) 6.182e-08 + HS- 4.324e-08 2.847e-08 -7.364 -7.546 -0.182 21.14 + H2S 1.858e-08 2.020e-08 -7.731 -7.695 0.036 36.27 + S-2 1.757e-13 4.236e-14 -12.755 -13.373 -0.618 (0) + (H2S)2 1.977e-17 2.150e-17 -16.704 -16.668 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -180639,7 +179699,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -180656,21 +179716,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S + H2S(g) -6.70 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.59 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.78 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -180694,7 +179754,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.739e-11 Surface + diffuse layer charge, eq + -9.767e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -180704,7 +179764,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -180713,14 +179773,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6596e-10 + Cl 4.6594e-10 H 1.2950e-04 - Hto 5.1596e-16 + Hto 5.1586e-16 I 1.1798e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.5338e-18 + Nat 6.5317e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -180739,30 +179799,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.373e-15 5.151e-16 + Hto 4.372e-15 5.150e-16 I 1.001e-15 1.180e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.112e-17 1.310e-18 + Nat 1.111e-17 1.309e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.445e-09 + Electrical balance (eq) = -1.797e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -180776,15 +179836,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.869e-11 - CH4 3.869e-11 4.207e-11 -10.412 -10.376 0.036 35.46 +C(-4) 3.968e-11 + CH4 3.968e-11 4.314e-11 -10.401 -10.365 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -180795,16 +179855,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.047e-11 - H2 1.024e-11 1.113e-11 -10.990 -10.954 0.036 28.61 -Hto 4.373e-15 - Hto 4.373e-15 4.373e-15 -14.359 -14.359 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.060e-11 + H2 1.030e-11 1.120e-11 -10.987 -10.951 0.036 28.61 +Hto 4.372e-15 + Hto 4.372e-15 4.372e-15 -14.359 -14.359 0.000 (0) I 1.001e-15 I- 1.001e-15 1.001e-15 -14.999 -14.999 -0.000 (0) K 1.540e-03 @@ -180822,16 +179882,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.112e-17 - Nat+ 1.112e-17 1.112e-17 -16.954 -16.954 -0.000 (0) +Nat 1.111e-17 + Nat+ 1.111e-17 1.111e-17 -16.954 -16.954 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.518 -70.482 0.036 30.40 -S(-2) 6.062e-08 - HS- 4.240e-08 2.791e-08 -7.373 -7.554 -0.182 21.14 - H2S 1.822e-08 1.981e-08 -7.740 -7.703 0.036 36.27 - S-2 1.723e-13 4.154e-14 -12.764 -13.382 -0.618 (0) - (H2S)2 1.901e-17 2.067e-17 -16.721 -16.685 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.524 -70.487 0.036 30.40 +S(-2) 6.216e-08 + HS- 4.348e-08 2.862e-08 -7.362 -7.543 -0.182 21.14 + H2S 1.868e-08 2.031e-08 -7.729 -7.692 0.036 36.27 + S-2 1.767e-13 4.260e-14 -12.753 -13.371 -0.618 (0) + (H2S)2 1.999e-17 2.174e-17 -16.699 -16.663 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -180841,7 +179900,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -180858,21 +179917,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.38 -2.80 CH4 + CH4(g) -7.56 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.59 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -180896,7 +179955,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.742e-11 Surface + diffuse layer charge, eq + -9.770e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -180906,7 +179965,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -180915,14 +179974,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 5.2193e-17 + Hto 5.2182e-17 I 1.0164e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9352e-19 + Nat 3.9338e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -180941,30 +180000,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.423e-16 5.211e-17 + Hto 4.422e-16 5.210e-17 I 8.627e-17 1.016e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.696e-19 7.889e-20 + Nat 6.694e-19 7.886e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.446e-09 + Electrical balance (eq) = -1.798e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -180978,15 +180037,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.880e-11 - CH4 3.880e-11 4.218e-11 -10.411 -10.375 0.036 35.46 +C(-4) 3.979e-11 + CH4 3.979e-11 4.326e-11 -10.400 -10.364 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -180997,16 +180056,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.049e-11 - H2 1.024e-11 1.114e-11 -10.990 -10.953 0.036 28.61 -Hto 4.423e-16 - Hto 4.423e-16 4.423e-16 -15.354 -15.354 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.062e-11 + H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 +Hto 4.422e-16 + Hto 4.422e-16 4.422e-16 -15.354 -15.354 0.000 (0) I 8.627e-17 I- 8.627e-17 8.627e-17 -16.064 -16.064 -0.000 (0) K 1.540e-03 @@ -181024,16 +180083,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.696e-19 - Nat+ 6.696e-19 6.696e-19 -18.174 -18.174 -0.000 (0) +Nat 6.694e-19 + Nat+ 6.694e-19 6.694e-19 -18.174 -18.174 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.519 -70.482 0.036 30.40 -S(-2) 6.079e-08 - HS- 4.252e-08 2.799e-08 -7.371 -7.553 -0.182 21.14 - H2S 1.827e-08 1.986e-08 -7.738 -7.702 0.036 36.27 - S-2 1.728e-13 4.165e-14 -12.762 -13.380 -0.618 (0) - (H2S)2 1.912e-17 2.079e-17 -16.719 -16.682 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.524 -70.488 0.036 30.40 +S(-2) 6.233e-08 + HS- 4.360e-08 2.870e-08 -7.361 -7.542 -0.182 21.14 + H2S 1.873e-08 2.037e-08 -7.727 -7.691 0.036 36.27 + S-2 1.772e-13 4.272e-14 -12.752 -13.369 -0.618 (0) + (H2S)2 2.010e-17 2.186e-17 -16.697 -16.660 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -181060,21 +180118,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -181098,7 +180156,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.742e-11 Surface + diffuse layer charge, eq + -9.770e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -181108,7 +180166,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -181117,14 +180175,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 4.7739e-18 + Hto 4.7728e-18 I 7.9108e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1368e-20 + Nat 2.1360e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -181143,30 +180201,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.046e-17 4.766e-18 + Hto 4.045e-17 4.765e-18 I 6.714e-18 7.910e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.636e-20 4.284e-21 + Nat 3.635e-20 4.282e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.446e-09 + Electrical balance (eq) = -1.798e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -181180,15 +180238,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.884e-11 - CH4 3.884e-11 4.222e-11 -10.411 -10.374 0.036 35.46 +C(-4) 3.982e-11 + CH4 3.982e-11 4.330e-11 -10.400 -10.364 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -181199,16 +180257,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.049e-11 - H2 1.025e-11 1.114e-11 -10.989 -10.953 0.036 28.61 -Hto 4.046e-17 - Hto 4.046e-17 4.046e-17 -16.393 -16.393 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.062e-11 + H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 +Hto 4.045e-17 + Hto 4.045e-17 4.045e-17 -16.393 -16.393 0.000 (0) I 6.714e-18 I- 6.714e-18 6.714e-18 -17.173 -17.173 -0.000 (0) K 1.540e-03 @@ -181226,16 +180284,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.636e-20 - Nat+ 3.636e-20 3.636e-20 -19.439 -19.439 -0.000 (0) +Nat 3.635e-20 + Nat+ 3.635e-20 3.635e-20 -19.440 -19.440 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.519 -70.483 0.036 30.40 -S(-2) 6.085e-08 - HS- 4.256e-08 2.802e-08 -7.371 -7.553 -0.182 21.14 - H2S 1.829e-08 1.988e-08 -7.738 -7.702 0.036 36.27 - S-2 1.730e-13 4.169e-14 -12.762 -13.380 -0.618 (0) - (H2S)2 1.916e-17 2.083e-17 -16.718 -16.681 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.524 -70.488 0.036 30.40 +S(-2) 6.239e-08 + HS- 4.364e-08 2.873e-08 -7.360 -7.542 -0.182 21.14 + H2S 1.875e-08 2.039e-08 -7.727 -7.691 0.036 36.27 + S-2 1.774e-13 4.276e-14 -12.751 -13.369 -0.618 (0) + (H2S)2 2.014e-17 2.190e-17 -16.696 -16.660 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -181262,21 +180319,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -181300,7 +180357,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.742e-11 Surface + diffuse layer charge, eq + -9.770e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -181310,7 +180367,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -181319,14 +180376,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 3.9553e-19 - I 5.5732e-32 + Hto 3.9544e-19 + I 5.5720e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0483e-21 + Nat 1.0479e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -181345,30 +180402,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.352e-18 3.949e-19 + Hto 3.351e-18 3.948e-19 I 4.730e-19 5.572e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.784e-21 2.102e-22 + Nat 1.783e-21 2.101e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.445e-09 + Electrical balance (eq) = -1.798e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -181382,15 +180439,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.885e-11 - CH4 3.885e-11 4.224e-11 -10.411 -10.374 0.036 35.46 +C(-4) 3.983e-11 + CH4 3.983e-11 4.331e-11 -10.400 -10.363 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -181401,16 +180458,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.049e-11 - H2 1.025e-11 1.114e-11 -10.989 -10.953 0.036 28.61 -Hto 3.352e-18 - Hto 3.352e-18 3.352e-18 -17.475 -17.475 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.062e-11 + H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 +Hto 3.351e-18 + Hto 3.351e-18 3.351e-18 -17.475 -17.475 0.000 (0) I 4.730e-19 I- 4.730e-19 4.730e-19 -18.325 -18.325 -0.000 (0) K 1.540e-03 @@ -181428,16 +180485,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.784e-21 - Nat+ 1.784e-21 1.784e-21 -20.749 -20.749 -0.000 (0) +Nat 1.783e-21 + Nat+ 1.783e-21 1.783e-21 -20.749 -20.749 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.519 -70.483 0.036 30.40 -S(-2) 6.086e-08 - HS- 4.257e-08 2.802e-08 -7.371 -7.552 -0.182 21.14 - H2S 1.829e-08 1.989e-08 -7.738 -7.701 0.036 36.27 - S-2 1.730e-13 4.171e-14 -12.762 -13.380 -0.618 (0) - (H2S)2 1.917e-17 2.084e-17 -16.717 -16.681 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.524 -70.488 0.036 30.40 +S(-2) 6.241e-08 + HS- 4.365e-08 2.874e-08 -7.360 -7.542 -0.182 21.14 + H2S 1.875e-08 2.039e-08 -7.727 -7.691 0.036 36.27 + S-2 1.774e-13 4.277e-14 -12.751 -13.369 -0.618 (0) + (H2S)2 2.015e-17 2.191e-17 -16.696 -16.659 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -181464,21 +180520,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -181502,7 +180558,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.742e-11 Surface + diffuse layer charge, eq + -9.771e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -181512,7 +180568,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -181521,14 +180577,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 2.9724e-20 + Hto 2.9717e-20 I 3.5577e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6431e-23 + Nat 4.6411e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -181547,30 +180603,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.519e-19 2.968e-20 + Hto 2.518e-19 2.967e-20 I 3.020e-20 3.558e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.901e-23 9.308e-24 + Nat 7.897e-23 9.304e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.446e-09 + Electrical balance (eq) = -1.798e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -181584,15 +180640,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.885e-11 - CH4 3.885e-11 4.224e-11 -10.411 -10.374 0.036 35.46 +C(-4) 3.984e-11 + CH4 3.984e-11 4.331e-11 -10.400 -10.363 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -181603,16 +180659,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.049e-11 - H2 1.025e-11 1.114e-11 -10.989 -10.953 0.036 28.61 -Hto 2.519e-19 - Hto 2.519e-19 2.519e-19 -18.599 -18.599 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.062e-11 + H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 +Hto 2.518e-19 + Hto 2.518e-19 2.518e-19 -18.599 -18.599 0.000 (0) I 3.020e-20 I- 3.020e-20 3.020e-20 -19.520 -19.520 -0.000 (0) K 1.540e-03 @@ -181630,16 +180686,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 7.901e-23 - Nat+ 7.901e-23 7.901e-23 -22.102 -22.102 -0.000 (0) +Nat 7.897e-23 + Nat+ 7.897e-23 7.897e-23 -22.103 -22.103 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.519 -70.483 0.036 30.40 -S(-2) 6.086e-08 - HS- 4.257e-08 2.803e-08 -7.371 -7.552 -0.182 21.14 - H2S 1.829e-08 1.989e-08 -7.738 -7.701 0.036 36.27 - S-2 1.730e-13 4.171e-14 -12.762 -13.380 -0.618 (0) - (H2S)2 1.917e-17 2.084e-17 -16.717 -16.681 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.524 -70.488 0.036 30.40 +S(-2) 6.241e-08 + HS- 4.365e-08 2.874e-08 -7.360 -7.542 -0.182 21.14 + H2S 1.876e-08 2.039e-08 -7.727 -7.691 0.036 36.27 + S-2 1.774e-13 4.277e-14 -12.751 -13.369 -0.618 (0) + (H2S)2 2.015e-17 2.191e-17 -16.696 -16.659 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -181666,21 +180721,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -181704,7 +180759,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.742e-11 Surface + diffuse layer charge, eq + -9.770e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -181714,7 +180769,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -181723,14 +180778,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 2.0282e-21 - I 2.0604e-34 + Hto 2.0277e-21 + I 2.0606e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6486e-24 + Nat 1.6478e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -181749,30 +180804,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.719e-20 2.025e-21 + Hto 1.718e-20 2.024e-21 I 1.749e-21 2.060e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.805e-24 3.305e-25 + Nat 2.804e-24 3.303e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.446e-09 + Electrical balance (eq) = -1.798e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -181786,15 +180841,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.885e-11 - CH4 3.885e-11 4.224e-11 -10.411 -10.374 0.036 35.46 +C(-4) 3.984e-11 + CH4 3.984e-11 4.331e-11 -10.400 -10.363 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -181805,16 +180860,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.049e-11 - H2 1.025e-11 1.114e-11 -10.989 -10.953 0.036 28.61 -Hto 1.719e-20 - Hto 1.719e-20 1.719e-20 -19.765 -19.765 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.062e-11 + H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 +Hto 1.718e-20 + Hto 1.718e-20 1.718e-20 -19.765 -19.765 0.000 (0) I 1.749e-21 I- 1.749e-21 1.749e-21 -20.757 -20.757 -0.000 (0) K 1.540e-03 @@ -181832,16 +180887,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.805e-24 - Nat+ 2.805e-24 2.805e-24 -23.552 -23.552 -0.000 (0) +Nat 2.804e-24 + Nat+ 2.804e-24 2.804e-24 -23.552 -23.552 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.519 -70.483 0.036 30.40 -S(-2) 6.087e-08 - HS- 4.257e-08 2.803e-08 -7.371 -7.552 -0.182 21.14 - H2S 1.829e-08 1.989e-08 -7.738 -7.701 0.036 36.27 - S-2 1.730e-13 4.171e-14 -12.762 -13.380 -0.618 (0) - (H2S)2 1.917e-17 2.084e-17 -16.717 -16.681 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.524 -70.488 0.036 30.40 +S(-2) 6.241e-08 + HS- 4.365e-08 2.874e-08 -7.360 -7.542 -0.182 21.14 + H2S 1.876e-08 2.039e-08 -7.727 -7.691 0.036 36.27 + S-2 1.774e-13 4.277e-14 -12.751 -13.369 -0.618 (0) + (H2S)2 2.015e-17 2.191e-17 -16.696 -16.659 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -181868,21 +180922,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -181906,7 +180960,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.742e-11 Surface + diffuse layer charge, eq + -9.771e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -181916,7 +180970,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -181925,10 +180979,10 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 1.3265e-22 - I 1.1270e-35 + Hto 1.3261e-22 + I 1.1272e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -181961,18 +181015,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.190 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.446e-09 + Electrical balance (eq) = -1.798e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -181986,15 +181040,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.885e-11 - CH4 3.885e-11 4.224e-11 -10.411 -10.374 0.036 35.46 +C(-4) 3.984e-11 + CH4 3.984e-11 4.331e-11 -10.400 -10.363 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -182005,14 +181059,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.049e-11 - H2 1.025e-11 1.114e-11 -10.989 -10.953 0.036 28.61 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.062e-11 + H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 Hto 1.124e-21 Hto 1.124e-21 1.124e-21 -20.949 -20.949 0.000 (0) I 9.566e-23 @@ -182032,14 +181086,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.519 -70.483 0.036 30.40 -S(-2) 6.087e-08 - HS- 4.257e-08 2.803e-08 -7.371 -7.552 -0.182 21.14 - H2S 1.829e-08 1.989e-08 -7.738 -7.701 0.036 36.27 - S-2 1.730e-13 4.171e-14 -12.762 -13.380 -0.618 (0) - (H2S)2 1.917e-17 2.084e-17 -16.717 -16.681 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.524 -70.488 0.036 30.40 +S(-2) 6.241e-08 + HS- 4.365e-08 2.874e-08 -7.360 -7.542 -0.182 21.14 + H2S 1.876e-08 2.039e-08 -7.727 -7.691 0.036 36.27 + S-2 1.774e-13 4.277e-14 -12.751 -13.369 -0.618 (0) + (H2S)2 2.015e-17 2.191e-17 -16.696 -16.659 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -182066,21 +181119,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -182110,18 +181163,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -182135,8 +181188,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -182160,8 +181213,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -182181,16 +181234,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -182217,21 +181269,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -182259,18 +181311,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -182284,8 +181336,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -182309,8 +181361,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -182330,16 +181382,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -182366,21 +181417,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -182417,18 +181468,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.049 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.047 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.019e-12 + Electrical balance (eq) = -9.787e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -182442,8 +181493,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.963e-12 - CH4 2.963e-12 3.222e-12 -11.528 -11.492 0.036 35.46 +C(-4) 2.880e-12 + CH4 2.880e-12 3.131e-12 -11.541 -11.504 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -182467,8 +181518,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.077e-11 - H2 5.383e-12 5.853e-12 -11.269 -11.233 0.036 28.61 +H(0) 1.069e-11 + H2 5.345e-12 5.811e-12 -11.272 -11.236 0.036 28.61 Hto 5.263e-07 Hto 5.263e-07 5.263e-07 -6.279 -6.279 0.000 (0) I 7.063e-07 @@ -182488,16 +181539,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.942e-07 Nat+ 2.942e-07 2.942e-07 -6.531 -6.531 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.960 -69.924 0.036 30.40 -S(-2) 4.645e-09 - HS- 3.248e-09 2.138e-09 -8.488 -8.670 -0.182 21.14 - H2S 1.397e-09 1.519e-09 -8.855 -8.818 0.036 36.27 - S-2 1.318e-14 3.177e-15 -13.880 -14.498 -0.618 (0) - (H2S)2 1.119e-19 1.216e-19 -18.951 -18.915 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.954 -69.917 0.036 30.40 +S(-2) 4.515e-09 + HS- 3.156e-09 2.078e-09 -8.501 -8.682 -0.182 21.14 + H2S 1.358e-09 1.477e-09 -8.867 -8.831 0.036 36.27 + S-2 1.281e-14 3.088e-15 -13.892 -14.510 -0.618 (0) + (H2S)2 1.057e-19 1.149e-19 -18.976 -18.940 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -182524,21 +181574,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.69 -11.49 -2.80 CH4 + CH4(g) -8.70 -11.50 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.13 -11.23 -3.10 H2 + H2(g) -8.13 -11.24 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.82 -15.76 -7.94 H2S + H2S(g) -7.84 -15.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.03 -69.92 -2.89 O2 + O2(g) -67.02 -69.92 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.62 -0.74 4.88 S + Sulfur -5.63 -0.75 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -182562,7 +181612,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.891e-14 Surface + diffuse layer charge, eq + -4.902e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -182572,7 +181622,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -182584,7 +181634,7 @@ Su Cl 4.6651e-10 H 1.2948e-04 Hto 5.4212e-08 - I 7.2805e-20 + I 7.2792e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -182607,7 +181657,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.594e-07 5.412e-08 + Hto 4.594e-07 5.413e-08 I 6.179e-07 7.279e-08 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -182619,18 +181669,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.104 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.103 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.946e-09 + Electrical balance (eq) = 1.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -182644,8 +181694,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.117e-12 - CH4 8.117e-12 8.825e-12 -11.091 -11.054 0.036 35.46 +C(-4) 8.051e-12 + CH4 8.051e-12 8.753e-12 -11.094 -11.058 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -182657,7 +181707,7 @@ C(4) 2.744e-03 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -182669,8 +181719,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.385e-11 - H2 6.926e-12 7.530e-12 -11.160 -11.123 0.036 28.61 +H(0) 1.382e-11 + H2 6.912e-12 7.515e-12 -11.160 -11.124 0.036 28.61 Hto 4.594e-07 Hto 4.594e-07 4.594e-07 -6.338 -6.338 0.000 (0) I 6.179e-07 @@ -182690,16 +181740,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.648e-07 Nat+ 2.648e-07 2.648e-07 -6.577 -6.577 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.179 -70.142 0.036 30.40 -S(-2) 1.272e-08 - HS- 8.897e-09 5.857e-09 -8.051 -8.232 -0.182 21.14 - H2S 3.827e-09 4.161e-09 -8.417 -8.381 0.036 36.27 - S-2 3.612e-14 8.706e-15 -13.442 -14.060 -0.618 (0) - (H2S)2 8.391e-19 9.123e-19 -18.076 -18.040 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.177 -70.141 0.036 30.40 +S(-2) 1.262e-08 + HS- 8.824e-09 5.809e-09 -8.054 -8.236 -0.182 21.14 + H2S 3.796e-09 4.127e-09 -8.421 -8.384 0.036 36.27 + S-2 3.582e-14 8.634e-15 -13.446 -14.064 -0.618 (0) + (H2S)2 8.255e-19 8.975e-19 -18.083 -18.047 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -182714,7 +181763,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.531e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -182726,14 +181775,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.25 -11.05 -2.80 CH4 + CH4(g) -8.26 -11.06 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.39 -15.32 -7.94 H2S + H2S(g) -7.39 -15.33 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -182764,7 +181813,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.485e-11 Surface + diffuse layer charge, eq + -9.484e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -182774,7 +181823,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -182786,11 +181835,11 @@ Su Cl 4.6615e-10 H 1.2949e-04 Hto 3.4447e-08 - I 4.2616e-20 + I 4.2623e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.7697e-08 + Nat 8.7696e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -182822,18 +181871,18 @@ Su pH = 7.090 Charge balance pe = -3.170 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.272e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.760e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -182846,8 +181895,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.725e-11 - CH4 2.725e-11 2.963e-11 -10.565 -10.528 0.036 35.46 +C(-4) 2.729e-11 + CH4 2.729e-11 2.967e-11 -10.564 -10.528 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -182871,8 +181920,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.875e-11 - H2 9.377e-12 1.019e-11 -11.028 -10.992 0.036 28.61 +H(0) 1.876e-11 + H2 9.380e-12 1.020e-11 -11.028 -10.991 0.036 28.61 Hto 2.919e-07 Hto 2.919e-07 2.919e-07 -6.535 -6.535 0.000 (0) I 3.617e-07 @@ -182892,16 +181941,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.492e-07 Nat+ 1.492e-07 1.492e-07 -6.826 -6.826 -0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.442 -70.406 0.036 30.40 -S(-2) 4.270e-08 - HS- 2.986e-08 1.966e-08 -7.525 -7.706 -0.182 21.14 - H2S 1.284e-08 1.396e-08 -7.892 -7.855 0.036 36.27 - S-2 1.213e-13 2.924e-14 -12.916 -13.534 -0.618 (0) - (H2S)2 9.440e-18 1.026e-17 -17.025 -16.989 0.036 30.09 +S(-2) 4.276e-08 + HS- 2.991e-08 1.969e-08 -7.524 -7.706 -0.182 21.14 + H2S 1.286e-08 1.398e-08 -7.891 -7.855 0.036 36.27 + S-2 1.215e-13 2.929e-14 -12.915 -13.533 -0.618 (0) + (H2S)2 9.469e-18 1.029e-17 -17.024 -16.987 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -182966,7 +182014,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.766e-11 Surface + diffuse layer charge, eq + -9.769e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -182976,7 +182024,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -182985,14 +182033,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6601e-10 + Cl 4.6600e-10 H 1.2950e-04 Hto 1.8004e-08 I 2.0193e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.5925e-08 + Nat 3.5924e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -183011,7 +182059,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.526e-07 1.798e-08 + Hto 1.526e-07 1.797e-08 I 1.714e-07 2.019e-08 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -183024,17 +182072,17 @@ Su pH = 7.091 Charge balance pe = -3.184 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.544e-09 + Electrical balance (eq) = -1.895e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -183048,8 +182096,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.529e-11 - CH4 3.529e-11 3.837e-11 -10.452 -10.416 0.036 35.46 +C(-4) 3.560e-11 + CH4 3.560e-11 3.871e-11 -10.449 -10.412 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -183061,7 +182109,7 @@ C(4) 2.744e-03 MgCO3 3.632e-06 3.949e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -183073,8 +182121,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.001e-11 - H2 1.000e-11 1.088e-11 -11.000 -10.964 0.036 28.61 +H(0) 2.005e-11 + H2 1.003e-11 1.090e-11 -10.999 -10.963 0.036 28.61 Hto 1.526e-07 Hto 1.526e-07 1.526e-07 -6.817 -6.817 0.000 (0) I 1.714e-07 @@ -183094,16 +182142,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 6.113e-08 Nat+ 6.113e-08 6.113e-08 -7.214 -7.214 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.498 -70.462 0.036 30.40 -S(-2) 5.529e-08 - HS- 3.867e-08 2.546e-08 -7.413 -7.594 -0.182 21.14 - H2S 1.662e-08 1.807e-08 -7.779 -7.743 0.036 36.27 - S-2 1.571e-13 3.788e-14 -12.804 -13.422 -0.618 (0) - (H2S)2 1.582e-17 1.720e-17 -16.801 -16.764 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.500 -70.464 0.036 30.40 +S(-2) 5.578e-08 + HS- 3.901e-08 2.568e-08 -7.409 -7.590 -0.182 21.14 + H2S 1.676e-08 1.823e-08 -7.776 -7.739 0.036 36.27 + S-2 1.585e-13 3.822e-14 -12.800 -13.418 -0.618 (0) + (H2S)2 1.610e-17 1.751e-17 -16.793 -16.757 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -183112,13 +182159,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.554e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.185 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -183130,14 +182177,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.61 -10.42 -2.80 CH4 + CH4(g) -7.61 -10.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.75 -14.68 -7.94 H2S + H2S(g) -6.74 -14.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -183168,7 +182215,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.807e-11 Surface + diffuse layer charge, eq + -9.825e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -183178,7 +182225,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -183187,10 +182234,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6596e-10 + Cl 4.6595e-10 H 1.2950e-04 - Hto 7.8179e-09 - I 7.8367e-21 + Hto 7.8177e-09 + I 7.8384e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -183225,18 +182272,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.188 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.189 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.551e-09 + Electrical balance (eq) = -1.902e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -183250,8 +182297,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.837e-11 - CH4 3.837e-11 4.172e-11 -10.416 -10.380 0.036 35.46 +C(-4) 3.899e-11 + CH4 3.899e-11 4.239e-11 -10.409 -10.373 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -183271,12 +182318,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.043e-11 - H2 1.022e-11 1.111e-11 -10.991 -10.954 0.036 28.61 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.051e-11 + H2 1.026e-11 1.115e-11 -10.989 -10.953 0.036 28.61 Hto 6.625e-08 Hto 6.625e-08 6.625e-08 -7.179 -7.179 0.000 (0) I 6.651e-08 @@ -183296,16 +182343,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.916e-08 Nat+ 1.916e-08 1.916e-08 -7.718 -7.718 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.516 -70.480 0.036 30.40 -S(-2) 6.011e-08 - HS- 4.205e-08 2.768e-08 -7.376 -7.558 -0.182 21.14 - H2S 1.807e-08 1.964e-08 -7.743 -7.707 0.036 36.27 - S-2 1.709e-13 4.119e-14 -12.767 -13.385 -0.618 (0) - (H2S)2 1.870e-17 2.033e-17 -16.728 -16.692 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.520 -70.483 0.036 30.40 +S(-2) 6.109e-08 + HS- 4.273e-08 2.813e-08 -7.369 -7.551 -0.182 21.14 + H2S 1.836e-08 1.996e-08 -7.736 -7.700 0.036 36.27 + S-2 1.737e-13 4.186e-14 -12.760 -13.378 -0.618 (0) + (H2S)2 1.931e-17 2.099e-17 -16.714 -16.678 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -183315,7 +182361,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -183332,14 +182378,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -183370,7 +182416,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.796e-11 Surface + diffuse layer charge, eq + -9.822e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -183380,7 +182426,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -183389,14 +182435,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6594e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 2.8557e-09 + Hto 2.8556e-09 I 2.5295e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.8113e-09 + Nat 2.8111e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -183420,25 +182466,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.784e-09 5.636e-10 + Nat 4.783e-09 5.635e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.547e-09 + Electrical balance (eq) = -1.899e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -183452,33 +182498,33 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.938e-11 - CH4 3.938e-11 4.281e-11 -10.405 -10.368 0.036 35.46 +C(-4) 4.021e-11 + CH4 4.021e-11 4.372e-11 -10.396 -10.359 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.056e-11 - H2 1.028e-11 1.118e-11 -10.988 -10.952 0.036 28.61 +H(0) 2.067e-11 + H2 1.034e-11 1.124e-11 -10.986 -10.949 0.036 28.61 Hto 2.420e-08 Hto 2.420e-08 2.420e-08 -7.616 -7.616 0.000 (0) I 2.147e-08 @@ -183498,16 +182544,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.784e-09 - Nat+ 4.784e-09 4.784e-09 -8.320 -8.320 -0.000 (0) +Nat 4.783e-09 + Nat+ 4.783e-09 4.783e-09 -8.320 -8.320 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.522 -70.486 0.036 30.40 -S(-2) 6.169e-08 - HS- 4.315e-08 2.841e-08 -7.365 -7.547 -0.182 21.14 - H2S 1.854e-08 2.016e-08 -7.732 -7.696 0.036 36.27 - S-2 1.754e-13 4.228e-14 -12.756 -13.374 -0.618 (0) - (H2S)2 1.969e-17 2.141e-17 -16.706 -16.669 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.526 -70.490 0.036 30.40 +S(-2) 6.300e-08 + HS- 4.407e-08 2.901e-08 -7.356 -7.537 -0.182 21.14 + H2S 1.893e-08 2.058e-08 -7.723 -7.686 0.036 36.27 + S-2 1.791e-13 4.317e-14 -12.747 -13.365 -0.618 (0) + (H2S)2 2.054e-17 2.233e-17 -16.687 -16.651 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -183522,7 +182567,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -183534,21 +182579,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.49 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.11 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -183572,7 +182617,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.781e-11 Surface + diffuse layer charge, eq + -9.808e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -183582,7 +182627,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -183591,14 +182636,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6594e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 8.8844e-10 + Hto 8.8839e-10 I 6.8946e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.7566e-10 + Nat 5.7560e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -183622,25 +182667,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.796e-10 1.154e-10 + Nat 9.795e-10 1.154e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.544e-09 + Electrical balance (eq) = -1.897e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -183652,35 +182697,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.959e-11 - CH4 3.959e-11 4.304e-11 -10.402 -10.366 0.036 35.46 +C(-4) 4.052e-11 + CH4 4.052e-11 4.406e-11 -10.392 -10.356 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.059e-11 - H2 1.030e-11 1.119e-11 -10.987 -10.951 0.036 28.61 +H(0) 2.071e-11 + H2 1.036e-11 1.126e-11 -10.985 -10.948 0.036 28.61 Hto 7.529e-09 Hto 7.529e-09 7.529e-09 -8.123 -8.123 0.000 (0) I 5.851e-09 @@ -183700,16 +182745,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 9.796e-10 - Nat+ 9.796e-10 9.796e-10 -9.009 -9.009 -0.000 (0) +Nat 9.795e-10 + Nat+ 9.795e-10 9.795e-10 -9.009 -9.009 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.523 -70.487 0.036 30.40 -S(-2) 6.202e-08 - HS- 4.338e-08 2.856e-08 -7.363 -7.544 -0.182 21.14 - H2S 1.864e-08 2.026e-08 -7.730 -7.693 0.036 36.27 - S-2 1.763e-13 4.250e-14 -12.754 -13.372 -0.618 (0) - (H2S)2 1.990e-17 2.164e-17 -16.701 -16.665 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.528 -70.492 0.036 30.40 +S(-2) 6.349e-08 + HS- 4.441e-08 2.923e-08 -7.353 -7.534 -0.182 21.14 + H2S 1.908e-08 2.074e-08 -7.719 -7.683 0.036 36.27 + S-2 1.805e-13 4.351e-14 -12.744 -13.361 -0.618 (0) + (H2S)2 2.085e-17 2.267e-17 -16.681 -16.644 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -183724,7 +182768,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -183736,21 +182780,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.37 -2.80 CH4 + CH4(g) -7.55 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.49 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.77 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -183774,7 +182818,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.769e-11 Surface + diffuse layer charge, eq + -9.797e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -183784,7 +182828,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -183793,14 +182837,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6594e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 2.3809e-10 + Hto 2.3807e-10 I 1.6076e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.8884e-11 + Nat 9.8871e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -183824,25 +182868,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.683e-10 1.982e-11 + Nat 1.682e-10 1.982e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.542e-09 + Electrical balance (eq) = -1.895e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -183854,35 +182898,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.947e-11 - CH4 3.947e-11 4.291e-11 -10.404 -10.367 0.036 35.46 +C(-4) 4.045e-11 + CH4 4.045e-11 4.397e-11 -10.393 -10.357 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.058e-11 - H2 1.029e-11 1.119e-11 -10.988 -10.951 0.036 28.61 +H(0) 2.070e-11 + H2 1.035e-11 1.125e-11 -10.985 -10.949 0.036 28.61 Hto 2.018e-09 Hto 2.018e-09 2.018e-09 -8.695 -8.695 0.000 (0) I 1.365e-09 @@ -183902,16 +182946,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.683e-10 - Nat+ 1.683e-10 1.683e-10 -9.774 -9.774 -0.000 (0) +Nat 1.682e-10 + Nat+ 1.682e-10 1.682e-10 -9.774 -9.774 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.522 -70.486 0.036 30.40 -S(-2) 6.184e-08 - HS- 4.325e-08 2.848e-08 -7.364 -7.546 -0.182 21.14 - H2S 1.858e-08 2.021e-08 -7.731 -7.695 0.036 36.27 - S-2 1.758e-13 4.238e-14 -12.755 -13.373 -0.618 (0) - (H2S)2 1.979e-17 2.151e-17 -16.704 -16.667 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.528 -70.491 0.036 30.40 +S(-2) 6.336e-08 + HS- 4.432e-08 2.918e-08 -7.353 -7.535 -0.182 21.14 + H2S 1.904e-08 2.070e-08 -7.720 -7.684 0.036 36.27 + S-2 1.801e-13 4.342e-14 -12.744 -13.362 -0.618 (0) + (H2S)2 2.077e-17 2.259e-17 -16.682 -16.646 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -183926,7 +182969,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -183938,21 +182981,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.55 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.49 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.11 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -183976,7 +183019,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.757e-11 Surface + diffuse layer charge, eq + -9.785e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -183986,7 +183029,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -183995,14 +183038,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 5.5504e-11 + Hto 5.5500e-11 I 3.2447e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4495e-11 + Nat 1.4493e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -184021,30 +183064,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.704e-10 5.541e-11 + Hto 4.703e-10 5.541e-11 I 2.754e-10 3.244e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.467e-11 2.906e-12 + Nat 2.466e-11 2.905e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.026e-09 + Electrical balance (eq) = -1.380e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -184058,35 +183101,35 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.924e-11 - CH4 3.924e-11 4.266e-11 -10.406 -10.370 0.036 35.46 +C(-4) 4.022e-11 + CH4 4.022e-11 4.373e-11 -10.396 -10.359 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.055e-11 - H2 1.027e-11 1.117e-11 -10.988 -10.952 0.036 28.61 -Hto 4.704e-10 - Hto 4.704e-10 4.704e-10 -9.328 -9.328 0.000 (0) +H(0) 2.067e-11 + H2 1.034e-11 1.124e-11 -10.986 -10.949 0.036 28.61 +Hto 4.703e-10 + Hto 4.703e-10 4.703e-10 -9.328 -9.328 0.000 (0) I 2.754e-10 I- 2.754e-10 2.754e-10 -9.560 -9.560 -0.000 (0) K 1.540e-03 @@ -184104,16 +183147,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.467e-11 - Nat+ 2.467e-11 2.467e-11 -10.608 -10.608 -0.000 (0) +Nat 2.466e-11 + Nat+ 2.466e-11 2.466e-11 -10.608 -10.608 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.521 -70.485 0.036 30.40 -S(-2) 6.148e-08 - HS- 4.300e-08 2.831e-08 -7.367 -7.548 -0.182 21.14 - H2S 1.848e-08 2.009e-08 -7.733 -7.697 0.036 36.27 - S-2 1.748e-13 4.213e-14 -12.758 -13.375 -0.618 (0) - (H2S)2 1.956e-17 2.126e-17 -16.709 -16.672 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.526 -70.490 0.036 30.40 +S(-2) 6.302e-08 + HS- 4.408e-08 2.902e-08 -7.356 -7.537 -0.182 21.14 + H2S 1.894e-08 2.059e-08 -7.723 -7.686 0.036 36.27 + S-2 1.792e-13 4.319e-14 -12.747 -13.365 -0.618 (0) + (H2S)2 2.055e-17 2.234e-17 -16.687 -16.651 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -184128,7 +183170,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -184140,21 +183182,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -184178,7 +183220,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.749e-11 Surface + diffuse layer charge, eq + -9.777e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -184188,7 +183230,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -184197,14 +183239,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 1.1352e-11 - I 5.7224e-24 + Hto 1.1351e-11 + I 5.7232e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8378e-12 + Nat 1.8375e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -184223,7 +183265,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.621e-11 1.133e-11 + Hto 9.620e-11 1.133e-11 I 4.857e-11 5.722e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -184235,18 +183277,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.756e-10 + Electrical balance (eq) = -1.328e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -184260,15 +183302,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.905e-11 - CH4 3.905e-11 4.245e-11 -10.408 -10.372 0.036 35.46 +C(-4) 4.003e-11 + CH4 4.003e-11 4.352e-11 -10.398 -10.361 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -184279,16 +183321,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.052e-11 - H2 1.026e-11 1.115e-11 -10.989 -10.953 0.036 28.61 -Hto 9.621e-11 - Hto 9.621e-11 9.621e-11 -10.017 -10.017 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.065e-11 + H2 1.032e-11 1.122e-11 -10.986 -10.950 0.036 28.61 +Hto 9.620e-11 + Hto 9.620e-11 9.620e-11 -10.017 -10.017 0.000 (0) I 4.857e-11 I- 4.857e-11 4.857e-11 -10.314 -10.314 -0.000 (0) K 1.540e-03 @@ -184306,16 +183348,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 3.127e-12 Nat+ 3.127e-12 3.127e-12 -11.505 -11.505 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.520 -70.484 0.036 30.40 -S(-2) 6.117e-08 - HS- 4.279e-08 2.817e-08 -7.369 -7.550 -0.182 21.14 - H2S 1.838e-08 1.999e-08 -7.736 -7.699 0.036 36.27 - S-2 1.739e-13 4.192e-14 -12.760 -13.378 -0.618 (0) - (H2S)2 1.936e-17 2.105e-17 -16.713 -16.677 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.525 -70.489 0.036 30.40 +S(-2) 6.272e-08 + HS- 4.387e-08 2.888e-08 -7.358 -7.539 -0.182 21.14 + H2S 1.885e-08 2.049e-08 -7.725 -7.688 0.036 36.27 + S-2 1.783e-13 4.298e-14 -12.749 -13.367 -0.618 (0) + (H2S)2 2.035e-17 2.213e-17 -16.691 -16.655 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -184342,21 +183383,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -184380,7 +183421,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.744e-11 Surface + diffuse layer charge, eq + -9.772e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -184390,7 +183431,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -184399,14 +183440,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 2.0519e-12 - I 8.8908e-25 + Hto 2.0517e-12 + I 8.8888e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0369e-13 + Nat 2.0365e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -184425,30 +183466,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.739e-11 2.049e-12 + Hto 1.739e-11 2.048e-12 I 7.545e-12 8.889e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.466e-13 4.083e-14 + Nat 3.465e-13 4.082e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.431e-09 + Electrical balance (eq) = -1.783e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -184462,15 +183503,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.896e-11 - CH4 3.896e-11 4.236e-11 -10.409 -10.373 0.036 35.46 +C(-4) 3.995e-11 + CH4 3.995e-11 4.344e-11 -10.398 -10.362 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -184481,14 +183522,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.051e-11 - H2 1.025e-11 1.115e-11 -10.989 -10.953 0.036 28.61 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.064e-11 + H2 1.032e-11 1.122e-11 -10.986 -10.950 0.036 28.61 Hto 1.739e-11 Hto 1.739e-11 1.739e-11 -10.760 -10.760 0.000 (0) I 7.545e-12 @@ -184508,16 +183549,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.466e-13 - Nat+ 3.466e-13 3.466e-13 -12.460 -12.460 -0.000 (0) +Nat 3.465e-13 + Nat+ 3.465e-13 3.465e-13 -12.460 -12.460 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.520 -70.483 0.036 30.40 -S(-2) 6.105e-08 - HS- 4.270e-08 2.811e-08 -7.370 -7.551 -0.182 21.14 - H2S 1.835e-08 1.995e-08 -7.736 -7.700 0.036 36.27 - S-2 1.735e-13 4.183e-14 -12.761 -13.378 -0.618 (0) - (H2S)2 1.928e-17 2.097e-17 -16.715 -16.678 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.525 -70.489 0.036 30.40 +S(-2) 6.259e-08 + HS- 4.378e-08 2.882e-08 -7.359 -7.540 -0.182 21.14 + H2S 1.881e-08 2.045e-08 -7.726 -7.689 0.036 36.27 + S-2 1.779e-13 4.289e-14 -12.750 -13.368 -0.618 (0) + (H2S)2 2.027e-17 2.204e-17 -16.693 -16.657 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -184544,21 +183584,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -184582,7 +183622,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.744e-11 Surface + diffuse layer charge, eq + -9.772e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -184592,7 +183632,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -184601,14 +183641,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 3.2976e-13 + Hto 3.2972e-13 I 1.2248e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9903e-14 + Nat 1.9898e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -184627,30 +183667,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.795e-12 3.292e-13 + Hto 2.794e-12 3.292e-13 I 1.040e-12 1.225e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.387e-14 3.990e-15 + Nat 3.386e-14 3.989e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.445e-09 + Electrical balance (eq) = -1.798e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -184664,15 +183704,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.902e-11 - CH4 3.902e-11 4.242e-11 -10.409 -10.372 0.036 35.46 +C(-4) 4.001e-11 + CH4 4.001e-11 4.350e-11 -10.398 -10.362 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -184683,16 +183723,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.052e-11 - H2 1.026e-11 1.115e-11 -10.989 -10.953 0.036 28.61 -Hto 2.795e-12 - Hto 2.795e-12 2.795e-12 -11.554 -11.554 0.000 (0) + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.064e-11 + H2 1.032e-11 1.122e-11 -10.986 -10.950 0.036 28.61 +Hto 2.794e-12 + Hto 2.794e-12 2.794e-12 -11.554 -11.554 0.000 (0) I 1.040e-12 I- 1.040e-12 1.040e-12 -11.983 -11.983 -0.000 (0) K 1.540e-03 @@ -184710,16 +183750,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.387e-14 - Nat+ 3.387e-14 3.387e-14 -13.470 -13.470 -0.000 (0) +Nat 3.386e-14 + Nat+ 3.386e-14 3.386e-14 -13.470 -13.470 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.520 -70.484 0.036 30.40 -S(-2) 6.113e-08 - HS- 4.276e-08 2.815e-08 -7.369 -7.551 -0.182 21.14 - H2S 1.837e-08 1.997e-08 -7.736 -7.700 0.036 36.27 - S-2 1.738e-13 4.189e-14 -12.760 -13.378 -0.618 (0) - (H2S)2 1.934e-17 2.102e-17 -16.714 -16.677 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.525 -70.489 0.036 30.40 +S(-2) 6.268e-08 + HS- 4.384e-08 2.886e-08 -7.358 -7.540 -0.182 21.14 + H2S 1.884e-08 2.048e-08 -7.725 -7.689 0.036 36.27 + S-2 1.782e-13 4.295e-14 -12.749 -13.367 -0.618 (0) + (H2S)2 2.033e-17 2.210e-17 -16.692 -16.656 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -184746,21 +183785,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -184784,7 +183823,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.751e-11 Surface + diffuse layer charge, eq + -9.780e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -184794,7 +183833,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -184803,14 +183842,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 4.7361e-14 + Hto 4.7354e-14 I 1.5051e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7265e-15 + Nat 1.7260e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -184829,31 +183868,31 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.014e-13 4.729e-14 + Hto 4.013e-13 4.728e-14 I 1.277e-13 1.505e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.938e-15 3.461e-16 + Nat 2.937e-15 3.460e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.563e-11 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -3.067e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -184866,15 +183905,15 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.921e-11 - CH4 3.921e-11 4.263e-11 -10.407 -10.370 0.036 35.46 +C(-4) 4.020e-11 + CH4 4.020e-11 4.371e-11 -10.396 -10.359 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 @@ -184885,16 +183924,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.054e-11 - H2 1.027e-11 1.117e-11 -10.988 -10.952 0.036 28.61 -Hto 4.014e-13 - Hto 4.014e-13 4.014e-13 -12.396 -12.396 0.000 (0) +H(0) 2.067e-11 + H2 1.034e-11 1.124e-11 -10.986 -10.949 0.036 28.61 +Hto 4.013e-13 + Hto 4.013e-13 4.013e-13 -12.397 -12.397 0.000 (0) I 1.277e-13 I- 1.277e-13 1.277e-13 -12.894 -12.894 -0.000 (0) K 1.540e-03 @@ -184912,16 +183951,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.938e-15 - Nat+ 2.938e-15 2.938e-15 -14.532 -14.532 -0.000 (0) +Nat 2.937e-15 + Nat+ 2.937e-15 2.937e-15 -14.532 -14.532 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.521 -70.485 0.036 30.40 -S(-2) 6.144e-08 - HS- 4.297e-08 2.829e-08 -7.367 -7.548 -0.182 21.14 - H2S 1.846e-08 2.007e-08 -7.734 -7.697 0.036 36.27 - S-2 1.747e-13 4.210e-14 -12.758 -13.376 -0.618 (0) - (H2S)2 1.953e-17 2.123e-17 -16.709 -16.673 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.526 -70.490 0.036 30.40 +S(-2) 6.298e-08 + HS- 4.405e-08 2.900e-08 -7.356 -7.538 -0.182 21.14 + H2S 1.893e-08 2.058e-08 -7.723 -7.687 0.036 36.27 + S-2 1.791e-13 4.316e-14 -12.747 -13.365 -0.618 (0) + (H2S)2 2.052e-17 2.231e-17 -16.688 -16.651 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -184948,21 +183986,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.10 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -184986,7 +184024,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.760e-11 Surface + diffuse layer charge, eq + -9.788e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -184996,7 +184034,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -185005,14 +184043,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6594e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 6.1055e-15 + Hto 6.1045e-15 I 1.6572e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3371e-16 + Nat 1.3367e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -185031,30 +184069,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.174e-14 6.096e-15 + Hto 5.173e-14 6.095e-15 I 1.407e-14 1.657e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.275e-16 2.680e-17 + Nat 2.274e-16 2.680e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.540e-09 + Electrical balance (eq) = -1.893e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -185066,37 +184104,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.949e-11 - CH4 3.949e-11 4.293e-11 -10.404 -10.367 0.036 35.46 +C(-4) 4.048e-11 + CH4 4.048e-11 4.401e-11 -10.393 -10.356 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.058e-11 - H2 1.029e-11 1.119e-11 -10.988 -10.951 0.036 28.61 -Hto 5.174e-14 - Hto 5.174e-14 5.174e-14 -13.286 -13.286 0.000 (0) +H(0) 2.071e-11 + H2 1.035e-11 1.126e-11 -10.985 -10.949 0.036 28.61 +Hto 5.173e-14 + Hto 5.173e-14 5.173e-14 -13.286 -13.286 0.000 (0) I 1.407e-14 I- 1.407e-14 1.407e-14 -13.852 -13.852 -0.000 (0) K 1.540e-03 @@ -185114,16 +184152,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.275e-16 - Nat+ 2.275e-16 2.275e-16 -15.643 -15.643 -0.000 (0) +Nat 2.274e-16 + Nat+ 2.274e-16 2.274e-16 -15.643 -15.643 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.522 -70.486 0.036 30.40 -S(-2) 6.187e-08 - HS- 4.327e-08 2.849e-08 -7.364 -7.545 -0.182 21.14 - H2S 1.859e-08 2.022e-08 -7.731 -7.694 0.036 36.27 - S-2 1.759e-13 4.240e-14 -12.755 -13.373 -0.618 (0) - (H2S)2 1.981e-17 2.153e-17 -16.703 -16.667 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.528 -70.492 0.036 30.40 +S(-2) 6.341e-08 + HS- 4.436e-08 2.920e-08 -7.353 -7.535 -0.182 21.14 + H2S 1.906e-08 2.072e-08 -7.720 -7.684 0.036 36.27 + S-2 1.803e-13 4.346e-14 -12.744 -13.362 -0.618 (0) + (H2S)2 2.081e-17 2.262e-17 -16.682 -16.645 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -185138,7 +184175,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -185150,21 +184187,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.55 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.64 -7.94 H2S + H2S(g) -6.69 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.49 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.11 4.88 S + Sulfur -4.77 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -185188,7 +184225,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.767e-11 Surface + diffuse layer charge, eq + -9.795e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -185198,7 +184235,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -185207,14 +184244,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6594e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 7.0901e-16 - I 1.6416e-28 + Hto 7.0888e-16 + I 1.6418e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.2867e-18 + Nat 9.2837e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -185233,30 +184270,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.009e-15 7.079e-16 + Hto 6.007e-15 7.077e-16 I 1.393e-15 1.641e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.580e-17 1.862e-18 + Nat 1.580e-17 1.861e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.542e-09 + Electrical balance (eq) = -1.895e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -185267,11 +184304,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.971e-11 - CH4 3.971e-11 4.317e-11 -10.401 -10.365 0.036 35.46 +C(-4) 4.070e-11 + CH4 4.070e-11 4.424e-11 -10.390 -10.354 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -185283,8 +184320,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -185295,10 +184332,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.061e-11 - H2 1.030e-11 1.120e-11 -10.987 -10.951 0.036 28.61 -Hto 6.009e-15 - Hto 6.009e-15 6.009e-15 -14.221 -14.221 0.000 (0) +H(0) 2.073e-11 + H2 1.037e-11 1.127e-11 -10.984 -10.948 0.036 28.61 +Hto 6.007e-15 + Hto 6.007e-15 6.007e-15 -14.221 -14.221 0.000 (0) I 1.393e-15 I- 1.393e-15 1.393e-15 -14.856 -14.856 -0.000 (0) K 1.540e-03 @@ -185316,16 +184353,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.580e-17 Nat+ 1.580e-17 1.580e-17 -16.801 -16.801 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.524 -70.487 0.036 30.40 -S(-2) 6.221e-08 - HS- 4.351e-08 2.865e-08 -7.361 -7.543 -0.182 21.14 - H2S 1.870e-08 2.033e-08 -7.728 -7.692 0.036 36.27 - S-2 1.769e-13 4.263e-14 -12.752 -13.370 -0.618 (0) - (H2S)2 2.002e-17 2.177e-17 -16.698 -16.662 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.529 -70.493 0.036 30.40 +S(-2) 6.375e-08 + HS- 4.460e-08 2.936e-08 -7.351 -7.532 -0.182 21.14 + H2S 1.916e-08 2.083e-08 -7.718 -7.681 0.036 36.27 + S-2 1.813e-13 4.369e-14 -12.742 -13.360 -0.618 (0) + (H2S)2 2.103e-17 2.287e-17 -16.677 -16.641 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -185340,7 +184376,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -185352,21 +184388,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.77 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -185390,7 +184426,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.770e-11 Surface + diffuse layer charge, eq + -9.798e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -185400,7 +184436,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -185409,14 +184445,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 7.4387e-17 + Hto 7.4372e-17 I 1.4674e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.8067e-19 + Nat 5.8047e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -185435,30 +184471,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.304e-16 7.427e-17 + Hto 6.303e-16 7.425e-17 I 1.245e-16 1.467e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.881e-19 1.164e-19 + Nat 9.877e-19 1.164e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.543e-09 + Electrical balance (eq) = -1.896e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -185469,11 +184505,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.982e-11 - CH4 3.982e-11 4.329e-11 -10.400 -10.364 0.036 35.46 +C(-4) 4.081e-11 + CH4 4.081e-11 4.436e-11 -10.389 -10.353 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -185485,8 +184521,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -185497,10 +184533,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.062e-11 - H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 -Hto 6.304e-16 - Hto 6.304e-16 6.304e-16 -15.200 -15.200 0.000 (0) +H(0) 2.075e-11 + H2 1.037e-11 1.128e-11 -10.984 -10.948 0.036 28.61 +Hto 6.303e-16 + Hto 6.303e-16 6.303e-16 -15.200 -15.200 0.000 (0) I 1.245e-16 I- 1.245e-16 1.245e-16 -15.905 -15.905 -0.000 (0) K 1.540e-03 @@ -185518,16 +184554,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 9.881e-19 - Nat+ 9.881e-19 9.881e-19 -18.005 -18.005 -0.000 (0) +Nat 9.877e-19 + Nat+ 9.877e-19 9.877e-19 -18.005 -18.005 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.524 -70.488 0.036 30.40 -S(-2) 6.238e-08 - HS- 4.363e-08 2.872e-08 -7.360 -7.542 -0.182 21.14 - H2S 1.875e-08 2.038e-08 -7.727 -7.691 0.036 36.27 - S-2 1.773e-13 4.275e-14 -12.751 -13.369 -0.618 (0) - (H2S)2 2.014e-17 2.189e-17 -16.696 -16.660 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.530 -70.493 0.036 30.40 +S(-2) 6.393e-08 + HS- 4.472e-08 2.944e-08 -7.350 -7.531 -0.182 21.14 + H2S 1.921e-08 2.089e-08 -7.716 -7.680 0.036 36.27 + S-2 1.818e-13 4.381e-14 -12.741 -13.358 -0.618 (0) + (H2S)2 2.114e-17 2.299e-17 -16.675 -16.638 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -185542,7 +184577,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -185554,21 +184589,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -185592,7 +184627,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.771e-11 Surface + diffuse layer charge, eq + -9.799e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -185602,7 +184637,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -185611,14 +184646,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 7.0683e-18 + Hto 7.0668e-18 I 1.1868e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2783e-20 + Nat 3.2771e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -185637,30 +184672,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.990e-17 7.057e-18 + Hto 5.989e-17 7.055e-18 I 1.007e-17 1.187e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.578e-20 6.572e-21 + Nat 5.576e-20 6.569e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.543e-09 + Electrical balance (eq) = -1.896e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -185671,11 +184706,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.986e-11 - CH4 3.986e-11 4.333e-11 -10.399 -10.363 0.036 35.46 +C(-4) 4.084e-11 + CH4 4.084e-11 4.441e-11 -10.389 -10.353 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -185687,8 +184722,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -185699,10 +184734,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.063e-11 - H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 -Hto 5.990e-17 - Hto 5.990e-17 5.990e-17 -16.223 -16.223 0.000 (0) +H(0) 2.075e-11 + H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 +Hto 5.989e-17 + Hto 5.989e-17 5.989e-17 -16.223 -16.223 0.000 (0) I 1.007e-17 I- 1.007e-17 1.007e-17 -16.997 -16.997 -0.000 (0) K 1.540e-03 @@ -185720,16 +184755,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.578e-20 - Nat+ 5.578e-20 5.578e-20 -19.253 -19.253 -0.000 (0) +Nat 5.576e-20 + Nat+ 5.576e-20 5.576e-20 -19.254 -19.254 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.525 -70.488 0.036 30.40 -S(-2) 6.244e-08 - HS- 4.368e-08 2.875e-08 -7.360 -7.541 -0.182 21.14 - H2S 1.877e-08 2.040e-08 -7.727 -7.690 0.036 36.27 - S-2 1.775e-13 4.279e-14 -12.751 -13.369 -0.618 (0) - (H2S)2 2.018e-17 2.194e-17 -16.695 -16.659 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 +S(-2) 6.399e-08 + HS- 4.476e-08 2.947e-08 -7.349 -7.531 -0.182 21.14 + H2S 1.923e-08 2.091e-08 -7.716 -7.680 0.036 36.27 + S-2 1.819e-13 4.385e-14 -12.740 -13.358 -0.618 (0) + (H2S)2 2.119e-17 2.303e-17 -16.674 -16.638 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -185744,7 +184778,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -185756,21 +184790,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -185794,7 +184828,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.771e-11 Surface + diffuse layer charge, eq + -9.799e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -185804,7 +184838,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -185813,14 +184847,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 6.0943e-19 - I 8.7016e-32 + Hto 6.0929e-19 + I 8.7004e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6751e-21 + Nat 1.6744e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -185839,30 +184873,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.165e-18 6.084e-19 + Hto 5.163e-18 6.083e-19 I 7.385e-19 8.701e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.850e-21 3.358e-22 + Nat 2.849e-21 3.357e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.543e-09 + Electrical balance (eq) = -1.896e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -185873,11 +184907,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.987e-11 - CH4 3.987e-11 4.335e-11 -10.399 -10.363 0.036 35.46 +C(-4) 4.086e-11 + CH4 4.086e-11 4.442e-11 -10.389 -10.352 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -185889,8 +184923,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -185901,10 +184935,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.063e-11 - H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 -Hto 5.165e-18 - Hto 5.165e-18 5.165e-18 -17.287 -17.287 0.000 (0) +H(0) 2.075e-11 + H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 +Hto 5.163e-18 + Hto 5.163e-18 5.163e-18 -17.287 -17.287 0.000 (0) I 7.385e-19 I- 7.385e-19 7.385e-19 -18.132 -18.132 -0.000 (0) K 1.540e-03 @@ -185922,16 +184956,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.850e-21 - Nat+ 2.850e-21 2.850e-21 -20.545 -20.545 -0.000 (0) +Nat 2.849e-21 + Nat+ 2.849e-21 2.849e-21 -20.545 -20.545 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.525 -70.488 0.036 30.40 -S(-2) 6.246e-08 - HS- 4.369e-08 2.876e-08 -7.360 -7.541 -0.182 21.14 - H2S 1.877e-08 2.041e-08 -7.727 -7.690 0.036 36.27 - S-2 1.776e-13 4.280e-14 -12.751 -13.369 -0.618 (0) - (H2S)2 2.019e-17 2.195e-17 -16.695 -16.659 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 +S(-2) 6.401e-08 + HS- 4.477e-08 2.947e-08 -7.349 -7.531 -0.182 21.14 + H2S 1.923e-08 2.091e-08 -7.716 -7.680 0.036 36.27 + S-2 1.820e-13 4.387e-14 -12.740 -13.358 -0.618 (0) + (H2S)2 2.120e-17 2.305e-17 -16.674 -16.637 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -185946,7 +184979,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -185958,21 +184991,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -185996,7 +185029,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.771e-11 Surface + diffuse layer charge, eq + -9.799e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -186006,7 +185039,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -186015,14 +185048,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 4.7748e-20 - I 5.7928e-33 + Hto 4.7736e-20 + I 5.7936e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.7484e-23 + Nat 7.7451e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -186041,7 +185074,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.046e-19 4.767e-20 + Hto 4.045e-19 4.766e-20 I 4.917e-20 5.793e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -186053,18 +185086,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.543e-09 + Electrical balance (eq) = -1.896e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -186075,11 +185108,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.987e-11 - CH4 3.987e-11 4.335e-11 -10.399 -10.363 0.036 35.46 +C(-4) 4.086e-11 + CH4 4.086e-11 4.442e-11 -10.389 -10.352 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -186091,8 +185124,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -186103,10 +185136,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.063e-11 - H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 -Hto 4.046e-19 - Hto 4.046e-19 4.046e-19 -18.393 -18.393 0.000 (0) +H(0) 2.075e-11 + H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 +Hto 4.045e-19 + Hto 4.045e-19 4.045e-19 -18.393 -18.393 0.000 (0) I 4.917e-20 I- 4.917e-20 4.917e-20 -19.308 -19.308 -0.000 (0) K 1.540e-03 @@ -186124,16 +185157,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.318e-22 Nat+ 1.318e-22 1.318e-22 -21.880 -21.880 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.525 -70.488 0.036 30.40 -S(-2) 6.246e-08 - HS- 4.369e-08 2.876e-08 -7.360 -7.541 -0.182 21.14 - H2S 1.877e-08 2.041e-08 -7.726 -7.690 0.036 36.27 - S-2 1.776e-13 4.281e-14 -12.751 -13.368 -0.618 (0) - (H2S)2 2.019e-17 2.195e-17 -16.695 -16.659 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 +S(-2) 6.401e-08 + HS- 4.477e-08 2.947e-08 -7.349 -7.531 -0.182 21.14 + H2S 1.924e-08 2.091e-08 -7.716 -7.680 0.036 36.27 + S-2 1.820e-13 4.387e-14 -12.740 -13.358 -0.618 (0) + (H2S)2 2.120e-17 2.305e-17 -16.674 -16.637 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -186148,7 +185180,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -186160,21 +185192,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -186198,7 +185230,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.771e-11 Surface + diffuse layer charge, eq + -9.799e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -186208,7 +185240,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -186217,14 +185249,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 3.4036e-21 - I 3.5063e-34 + Hto 3.4027e-21 + I 3.5067e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0481e-24 + Nat 3.0467e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -186243,30 +185275,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.884e-20 3.398e-21 + Hto 2.884e-20 3.397e-21 I 2.976e-21 3.506e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.187e-24 6.110e-25 + Nat 5.184e-24 6.108e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.543e-09 + Electrical balance (eq) = -1.896e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -186277,11 +185309,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.987e-11 - CH4 3.987e-11 4.335e-11 -10.399 -10.363 0.036 35.46 +C(-4) 4.086e-11 + CH4 4.086e-11 4.442e-11 -10.389 -10.352 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -186293,8 +185325,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -186305,8 +185337,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.063e-11 - H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 +H(0) 2.075e-11 + H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 Hto 2.884e-20 Hto 2.884e-20 2.884e-20 -19.540 -19.540 0.000 (0) I 2.976e-21 @@ -186326,16 +185358,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.187e-24 - Nat+ 5.187e-24 5.187e-24 -23.285 -23.285 -0.000 (0) +Nat 5.184e-24 + Nat+ 5.184e-24 5.184e-24 -23.285 -23.285 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.525 -70.488 0.036 30.40 -S(-2) 6.246e-08 - HS- 4.369e-08 2.876e-08 -7.360 -7.541 -0.182 21.14 - H2S 1.877e-08 2.041e-08 -7.726 -7.690 0.036 36.27 - S-2 1.776e-13 4.281e-14 -12.751 -13.368 -0.618 (0) - (H2S)2 2.019e-17 2.195e-17 -16.695 -16.659 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 +S(-2) 6.401e-08 + HS- 4.477e-08 2.948e-08 -7.349 -7.531 -0.182 21.14 + H2S 1.924e-08 2.091e-08 -7.716 -7.680 0.036 36.27 + S-2 1.820e-13 4.387e-14 -12.740 -13.358 -0.618 (0) + (H2S)2 2.120e-17 2.305e-17 -16.674 -16.637 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -186350,7 +185381,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -186362,21 +185393,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -186400,7 +185431,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.771e-11 Surface + diffuse layer charge, eq + -9.799e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -186410,7 +185441,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -186419,9 +185450,9 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6592e-10 H 1.2950e-04 - Hto 2.3370e-22 + Hto 2.3363e-22 I 2.0192e-35 K 8.9156e-04 Mg 4.6365e-02 @@ -186455,18 +185486,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.543e-09 + Electrical balance (eq) = -1.896e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -186477,11 +185508,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.987e-11 - CH4 3.987e-11 4.335e-11 -10.399 -10.363 0.036 35.46 +C(-4) 4.086e-11 + CH4 4.086e-11 4.442e-11 -10.389 -10.352 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -186493,8 +185524,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -186505,8 +185536,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.063e-11 - H2 1.031e-11 1.121e-11 -10.987 -10.950 0.036 28.61 +H(0) 2.075e-11 + H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 Hto 1.980e-21 Hto 1.980e-21 1.980e-21 -20.703 -20.703 0.000 (0) I 1.714e-22 @@ -186526,14 +185557,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.525 -70.488 0.036 30.40 -S(-2) 6.247e-08 - HS- 4.369e-08 2.876e-08 -7.360 -7.541 -0.182 21.14 - H2S 1.877e-08 2.041e-08 -7.726 -7.690 0.036 36.27 - S-2 1.776e-13 4.281e-14 -12.751 -13.368 -0.618 (0) - (H2S)2 2.019e-17 2.195e-17 -16.695 -16.659 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 +S(-2) 6.401e-08 + HS- 4.477e-08 2.948e-08 -7.349 -7.531 -0.182 21.14 + H2S 1.924e-08 2.091e-08 -7.716 -7.680 0.036 36.27 + S-2 1.820e-13 4.387e-14 -12.740 -13.358 -0.618 (0) + (H2S)2 2.120e-17 2.305e-17 -16.674 -16.637 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -186548,7 +185578,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -186560,21 +185590,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -186604,18 +185634,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -186629,8 +185659,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -186654,8 +185684,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -186675,16 +185705,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -186711,21 +185740,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -186753,18 +185782,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -186778,8 +185807,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -186803,8 +185832,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -186824,16 +185853,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -186860,21 +185888,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -186911,18 +185939,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.050 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.021e-12 + Electrical balance (eq) = -9.806e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -186936,11 +185964,11 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.126e-12 - CH4 3.126e-12 3.399e-12 -11.505 -11.469 0.036 35.46 +C(-4) 3.043e-12 + CH4 3.043e-12 3.309e-12 -11.517 -11.480 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.560 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -186961,8 +185989,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.091e-11 - H2 5.456e-12 5.932e-12 -11.263 -11.227 0.036 28.61 +H(0) 1.084e-11 + H2 5.419e-12 5.892e-12 -11.266 -11.230 0.036 28.61 Hto 5.229e-07 Hto 5.229e-07 5.229e-07 -6.282 -6.282 0.000 (0) I 7.038e-07 @@ -186982,16 +186010,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.915e-07 Nat+ 2.915e-07 2.915e-07 -6.535 -6.535 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.971 -69.935 0.036 30.40 -S(-2) 4.900e-09 - HS- 3.426e-09 2.255e-09 -8.465 -8.647 -0.182 21.14 - H2S 1.474e-09 1.603e-09 -8.831 -8.795 0.036 36.27 - S-2 1.391e-14 3.352e-15 -13.857 -14.475 -0.618 (0) - (H2S)2 1.245e-19 1.353e-19 -18.905 -18.869 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.966 -69.929 0.036 30.40 +S(-2) 4.771e-09 + HS- 3.335e-09 2.196e-09 -8.477 -8.658 -0.182 21.14 + H2S 1.435e-09 1.560e-09 -8.843 -8.807 0.036 36.27 + S-2 1.354e-14 3.263e-15 -13.868 -14.486 -0.618 (0) + (H2S)2 1.180e-19 1.283e-19 -18.928 -18.892 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -187018,21 +186045,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.67 -11.47 -2.80 CH4 + CH4(g) -8.68 -11.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.13 -11.23 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.80 -15.74 -7.94 H2S + H2S(g) -7.81 -15.75 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.04 -69.94 -2.89 O2 + O2(g) -67.04 -69.93 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.60 -0.72 4.88 S + Sulfur -5.61 -0.73 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -187056,7 +186083,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.963e-14 Surface + diffuse layer charge, eq + -5.074e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -187066,7 +186093,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -187077,8 +186104,8 @@ Su Ca 7.1884e-02 Cl 4.6650e-10 H 1.2948e-04 - Hto 5.3999e-08 - I 7.2699e-20 + Hto 5.4000e-08 + I 7.2673e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -187114,17 +186141,17 @@ Su pH = 7.090 Charge balance pe = -3.105 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.946e-09 + Electrical balance (eq) = 1.678e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -187138,8 +186165,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.126e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.392e-12 - CH4 8.392e-12 9.124e-12 -11.076 -11.040 0.036 35.46 +C(-4) 8.329e-12 + CH4 8.329e-12 9.055e-12 -11.079 -11.043 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -187163,8 +186190,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.397e-11 - H2 6.984e-12 7.593e-12 -11.156 -11.120 0.036 28.61 +H(0) 1.394e-11 + H2 6.971e-12 7.579e-12 -11.157 -11.120 0.036 28.61 Hto 4.576e-07 Hto 4.576e-07 4.576e-07 -6.339 -6.339 0.000 (0) I 6.169e-07 @@ -187179,21 +186206,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - MgOH+ 2.897e-07 2.125e-07 -6.538 -6.673 -0.134 (0) + MgOH+ 2.896e-07 2.125e-07 -6.538 -6.673 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.629e-07 Nat+ 2.629e-07 2.629e-07 -6.580 -6.580 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.186 -70.150 0.036 30.40 -S(-2) 1.315e-08 - HS- 9.198e-09 6.055e-09 -8.036 -8.218 -0.182 21.14 - H2S 3.957e-09 4.302e-09 -8.403 -8.366 0.036 36.27 - S-2 3.734e-14 9.001e-15 -13.428 -14.046 -0.618 (0) - (H2S)2 8.969e-19 9.752e-19 -18.047 -18.011 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.184 -70.148 0.036 30.40 +S(-2) 1.306e-08 + HS- 9.129e-09 6.009e-09 -8.040 -8.221 -0.182 21.14 + H2S 3.927e-09 4.269e-09 -8.406 -8.370 0.036 36.27 + S-2 3.706e-14 8.933e-15 -13.431 -14.049 -0.618 (0) + (H2S)2 8.834e-19 9.605e-19 -18.054 -18.018 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -187227,7 +186253,7 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.37 -15.31 -7.94 H2S + H2S(g) -7.38 -15.31 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -187258,7 +186284,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.501e-11 Surface + diffuse layer charge, eq + -9.500e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -187268,7 +186294,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -187316,18 +186342,18 @@ Su pH = 7.090 Charge balance pe = -3.171 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.221e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.665e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -187340,8 +186366,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.782e-11 - CH4 2.782e-11 3.025e-11 -10.556 -10.519 0.036 35.46 +C(-4) 2.787e-11 + CH4 2.787e-11 3.030e-11 -10.555 -10.519 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -187351,7 +186377,7 @@ C(4) 2.744e-03 CaCO3 9.017e-06 9.804e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.631e-06 3.948e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.383e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.382e-06 8.610e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.537e-08 7.107e-08 -7.185 -7.148 0.036 -14.13 (CO2)2 1.276e-09 1.387e-09 -8.894 -8.858 0.036 68.87 @@ -187365,8 +186391,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.885e-11 - H2 9.426e-12 1.025e-11 -11.026 -10.989 0.036 28.61 +H(0) 1.886e-11 + H2 9.430e-12 1.025e-11 -11.026 -10.989 0.036 28.61 Hto 2.934e-07 Hto 2.934e-07 2.934e-07 -6.533 -6.533 0.000 (0) I 3.647e-07 @@ -187386,16 +186412,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.501e-07 Nat+ 1.501e-07 1.501e-07 -6.824 -6.824 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.446 -70.410 0.036 30.40 -S(-2) 4.360e-08 - HS- 3.049e-08 2.007e-08 -7.516 -7.697 -0.182 21.14 - H2S 1.311e-08 1.425e-08 -7.883 -7.846 0.036 36.27 - S-2 1.239e-13 2.986e-14 -12.907 -13.525 -0.618 (0) - (H2S)2 9.840e-18 1.070e-17 -17.007 -16.971 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.447 -70.410 0.036 30.40 +S(-2) 4.367e-08 + HS- 3.054e-08 2.011e-08 -7.515 -7.697 -0.182 21.14 + H2S 1.313e-08 1.427e-08 -7.882 -7.845 0.036 36.27 + S-2 1.241e-13 2.991e-14 -12.906 -13.524 -0.618 (0) + (H2S)2 9.875e-18 1.074e-17 -17.005 -16.969 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -187460,7 +186485,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.791e-11 Surface + diffuse layer charge, eq + -9.794e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -187470,7 +186495,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -187481,12 +186506,12 @@ Su Ca 7.1884e-02 Cl 4.6599e-10 H 1.2950e-04 - Hto 1.8338e-08 - I 2.0656e-20 + Hto 1.8337e-08 + I 2.0650e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.6805e-08 + Nat 3.6804e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -187517,18 +186542,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.186 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.642e-09 + Electrical balance (eq) = -1.992e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -187542,33 +186567,33 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.117e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.609e-11 - CH4 3.609e-11 3.924e-11 -10.443 -10.406 0.036 35.46 +C(-4) 3.640e-11 + CH4 3.640e-11 3.958e-11 -10.439 -10.403 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.020e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.021e-06 9.807e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.012e-11 - H2 1.006e-11 1.094e-11 -10.997 -10.961 0.036 28.61 +H(0) 2.016e-11 + H2 1.008e-11 1.096e-11 -10.996 -10.960 0.036 28.61 Hto 1.554e-07 Hto 1.554e-07 1.554e-07 -6.809 -6.809 0.000 (0) I 1.753e-07 @@ -187588,16 +186613,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 6.263e-08 Nat+ 6.263e-08 6.263e-08 -7.203 -7.203 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.503 -70.467 0.036 30.40 -S(-2) 5.654e-08 - HS- 3.955e-08 2.603e-08 -7.403 -7.584 -0.182 21.14 - H2S 1.699e-08 1.848e-08 -7.770 -7.733 0.036 36.27 - S-2 1.607e-13 3.874e-14 -12.794 -13.412 -0.618 (0) - (H2S)2 1.655e-17 1.799e-17 -16.781 -16.745 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.505 -70.468 0.036 30.40 +S(-2) 5.703e-08 + HS- 3.989e-08 2.626e-08 -7.399 -7.581 -0.182 21.14 + H2S 1.714e-08 1.864e-08 -7.766 -7.730 0.036 36.27 + S-2 1.621e-13 3.908e-14 -12.790 -13.408 -0.618 (0) + (H2S)2 1.683e-17 1.830e-17 -16.774 -16.737 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -187612,7 +186636,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.539e-08 7.109e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.088e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -187624,19 +186648,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.60 -10.41 -2.80 CH4 + CH4(g) -7.60 -10.40 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.74 -14.68 -7.94 H2S + H2S(g) -6.74 -14.67 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.57 -70.47 -2.89 O2 + O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.80 0.08 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -187662,7 +186686,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.835e-11 Surface + diffuse layer charge, eq + -9.853e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -187672,7 +186696,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -187681,10 +186705,10 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6594e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 8.0964e-09 - I 8.1610e-21 + Hto 8.0962e-09 + I 8.1593e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -187719,18 +186743,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.191 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.649e-09 + Electrical balance (eq) = -2.000e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -187744,33 +186768,33 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.930e-11 - CH4 3.930e-11 4.273e-11 -10.406 -10.369 0.036 35.46 +C(-4) 3.992e-11 + CH4 3.992e-11 4.340e-11 -10.399 -10.363 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.055e-11 - H2 1.028e-11 1.117e-11 -10.988 -10.952 0.036 28.61 +H(0) 2.063e-11 + H2 1.032e-11 1.122e-11 -10.986 -10.950 0.036 28.61 Hto 6.861e-08 Hto 6.861e-08 6.861e-08 -7.164 -7.164 0.000 (0) I 6.925e-08 @@ -187790,16 +186814,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.006e-08 Nat+ 2.006e-08 2.006e-08 -7.698 -7.698 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.521 -70.485 0.036 30.40 -S(-2) 6.157e-08 - HS- 4.307e-08 2.835e-08 -7.366 -7.547 -0.182 21.14 - H2S 1.850e-08 2.012e-08 -7.733 -7.696 0.036 36.27 - S-2 1.750e-13 4.219e-14 -12.757 -13.375 -0.618 (0) - (H2S)2 1.962e-17 2.133e-17 -16.707 -16.671 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.525 -70.489 0.036 30.40 +S(-2) 6.254e-08 + HS- 4.374e-08 2.880e-08 -7.359 -7.541 -0.182 21.14 + H2S 1.879e-08 2.043e-08 -7.726 -7.690 0.036 36.27 + S-2 1.778e-13 4.286e-14 -12.750 -13.368 -0.618 (0) + (H2S)2 2.024e-17 2.200e-17 -16.694 -16.658 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -187814,7 +186837,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -187826,21 +186849,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.36 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.70 -14.64 -7.94 H2S + H2S(g) -6.70 -14.63 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.49 -2.89 O2 + O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.11 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -187864,7 +186887,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.825e-11 Surface + diffuse layer charge, eq + -9.851e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -187874,7 +186897,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -187883,14 +186906,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6591e-10 H 1.2950e-04 - Hto 3.0154e-09 - I 2.6879e-21 + Hto 3.0153e-09 + I 2.6883e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0129e-09 + Nat 3.0127e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -187914,25 +186937,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.127e-09 6.040e-10 + Nat 5.126e-09 6.040e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.645e-09 + Electrical balance (eq) = -1.997e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -187943,11 +186966,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.036e-11 - CH4 4.036e-11 4.389e-11 -10.394 -10.358 0.036 35.46 +C(-4) 4.119e-11 + CH4 4.119e-11 4.479e-11 -10.385 -10.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -187957,10 +186980,10 @@ C(4) 2.744e-03 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -187971,8 +186994,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.069e-11 - H2 1.035e-11 1.125e-11 -10.985 -10.949 0.036 28.61 +H(0) 2.080e-11 + H2 1.040e-11 1.131e-11 -10.983 -10.947 0.036 28.61 Hto 2.555e-08 Hto 2.555e-08 2.555e-08 -7.593 -7.593 0.000 (0) I 2.282e-08 @@ -187992,16 +187015,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.127e-09 - Nat+ 5.127e-09 5.127e-09 -8.290 -8.290 -0.000 (0) +Nat 5.126e-09 + Nat+ 5.126e-09 5.126e-09 -8.290 -8.290 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.527 -70.491 0.036 30.40 -S(-2) 6.324e-08 - HS- 4.423e-08 2.912e-08 -7.354 -7.536 -0.182 21.14 - H2S 1.900e-08 2.066e-08 -7.721 -7.685 0.036 36.27 - S-2 1.798e-13 4.334e-14 -12.745 -13.363 -0.618 (0) - (H2S)2 2.069e-17 2.250e-17 -16.684 -16.648 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.532 -70.495 0.036 30.40 +S(-2) 6.454e-08 + HS- 4.514e-08 2.972e-08 -7.345 -7.527 -0.182 21.14 + H2S 1.939e-08 2.109e-08 -7.712 -7.676 0.036 36.27 + S-2 1.835e-13 4.423e-14 -12.736 -13.354 -0.618 (0) + (H2S)2 2.155e-17 2.343e-17 -16.667 -16.630 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -188010,14 +187032,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -188028,21 +187050,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.68 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.60 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -188066,7 +187088,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.810e-11 Surface + diffuse layer charge, eq + -9.838e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -188076,7 +187098,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -188085,14 +187107,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 9.5864e-10 - I 7.4943e-22 + Hto 9.5859e-10 + I 7.4953e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3273e-10 + Nat 6.3267e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -188111,7 +187133,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.124e-09 9.571e-10 + Hto 8.124e-09 9.570e-10 I 6.361e-09 7.494e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -188123,18 +187145,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.642e-09 + Electrical balance (eq) = -1.995e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -188145,21 +187167,21 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.059e-11 - CH4 4.059e-11 4.414e-11 -10.392 -10.355 0.036 35.46 +C(-4) 4.153e-11 + CH4 4.153e-11 4.515e-11 -10.382 -10.345 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -188173,8 +187195,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.072e-11 - H2 1.036e-11 1.126e-11 -10.985 -10.948 0.036 28.61 +H(0) 2.084e-11 + H2 1.042e-11 1.133e-11 -10.982 -10.946 0.036 28.61 Hto 8.124e-09 Hto 8.124e-09 8.124e-09 -8.090 -8.090 0.000 (0) I 6.361e-09 @@ -188194,16 +187216,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.077e-09 Nat+ 1.077e-09 1.077e-09 -8.968 -8.968 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.528 -70.492 0.036 30.40 -S(-2) 6.360e-08 - HS- 4.449e-08 2.928e-08 -7.352 -7.533 -0.182 21.14 - H2S 1.911e-08 2.078e-08 -7.719 -7.682 0.036 36.27 - S-2 1.808e-13 4.358e-14 -12.743 -13.361 -0.618 (0) - (H2S)2 2.093e-17 2.275e-17 -16.679 -16.643 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.533 -70.497 0.036 30.40 +S(-2) 6.506e-08 + HS- 4.551e-08 2.996e-08 -7.342 -7.523 -0.182 21.14 + H2S 1.955e-08 2.126e-08 -7.709 -7.673 0.036 36.27 + S-2 1.850e-13 4.459e-14 -12.733 -13.351 -0.618 (0) + (H2S)2 2.190e-17 2.381e-17 -16.660 -16.623 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -188212,14 +187233,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -188230,21 +187251,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.36 -2.80 CH4 + CH4(g) -7.54 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.62 -7.94 H2S + H2S(g) -6.68 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.60 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.12 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -188268,7 +187289,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.798e-11 Surface + diffuse layer charge, eq + -9.826e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -188278,7 +187299,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -188287,14 +187308,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 2.6302e-10 - I 1.7911e-22 + Hto 2.6300e-10 + I 1.7906e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1161e-10 + Nat 1.1160e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -188318,25 +187339,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.899e-10 2.238e-11 + Nat 1.899e-10 2.237e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.640e-09 + Electrical balance (eq) = -1.993e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -188347,24 +187368,24 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.049e-11 - CH4 4.049e-11 4.402e-11 -10.393 -10.356 0.036 35.46 +C(-4) 4.146e-11 + CH4 4.146e-11 4.508e-11 -10.382 -10.346 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -188375,8 +187396,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.071e-11 - H2 1.035e-11 1.126e-11 -10.985 -10.949 0.036 28.61 +H(0) 2.083e-11 + H2 1.042e-11 1.132e-11 -10.982 -10.946 0.036 28.61 Hto 2.229e-09 Hto 2.229e-09 2.229e-09 -8.652 -8.652 0.000 (0) I 1.520e-09 @@ -188396,16 +187417,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.899e-10 Nat+ 1.899e-10 1.899e-10 -9.721 -9.721 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.528 -70.492 0.036 30.40 -S(-2) 6.343e-08 - HS- 4.437e-08 2.921e-08 -7.353 -7.534 -0.182 21.14 - H2S 1.906e-08 2.073e-08 -7.720 -7.684 0.036 36.27 - S-2 1.803e-13 4.347e-14 -12.744 -13.362 -0.618 (0) - (H2S)2 2.082e-17 2.263e-17 -16.682 -16.645 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.533 -70.497 0.036 30.40 +S(-2) 6.495e-08 + HS- 4.543e-08 2.991e-08 -7.343 -7.524 -0.182 21.14 + H2S 1.952e-08 2.122e-08 -7.710 -7.673 0.036 36.27 + S-2 1.847e-13 4.452e-14 -12.734 -13.351 -0.618 (0) + (H2S)2 2.183e-17 2.373e-17 -16.661 -16.625 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -188414,14 +187434,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -188432,21 +187452,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.36 -2.80 CH4 + CH4(g) -7.54 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.68 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.60 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.12 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -188470,7 +187490,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.786e-11 Surface + diffuse layer charge, eq + -9.814e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -188480,7 +187500,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -188489,14 +187509,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6591e-10 H 1.2950e-04 - Hto 6.2883e-11 + Hto 6.2878e-11 I 3.7100e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.6823e-11 + Nat 1.6820e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -188520,25 +187540,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.863e-11 3.372e-12 + Nat 2.862e-11 3.372e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.123e-09 + Electrical balance (eq) = -1.478e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -188549,11 +187569,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.026e-11 - CH4 4.026e-11 4.378e-11 -10.395 -10.359 0.036 35.46 +C(-4) 4.125e-11 + CH4 4.125e-11 4.485e-11 -10.385 -10.348 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -188563,10 +187583,10 @@ C(4) 2.744e-03 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -188577,8 +187597,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.068e-11 - H2 1.034e-11 1.124e-11 -10.986 -10.949 0.036 28.61 +H(0) 2.080e-11 + H2 1.040e-11 1.131e-11 -10.983 -10.947 0.036 28.61 Hto 5.329e-10 Hto 5.329e-10 5.329e-10 -9.273 -9.273 0.000 (0) I 3.149e-10 @@ -188598,16 +187618,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.863e-11 - Nat+ 2.863e-11 2.863e-11 -10.543 -10.543 -0.000 (0) +Nat 2.862e-11 + Nat+ 2.862e-11 2.862e-11 -10.543 -10.543 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.527 -70.490 0.036 30.40 -S(-2) 6.308e-08 - HS- 4.412e-08 2.905e-08 -7.355 -7.537 -0.182 21.14 - H2S 1.896e-08 2.061e-08 -7.722 -7.686 0.036 36.27 - S-2 1.793e-13 4.323e-14 -12.746 -13.364 -0.618 (0) - (H2S)2 2.059e-17 2.238e-17 -16.686 -16.650 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.532 -70.496 0.036 30.40 +S(-2) 6.462e-08 + HS- 4.520e-08 2.976e-08 -7.345 -7.526 -0.182 21.14 + H2S 1.942e-08 2.111e-08 -7.712 -7.675 0.036 36.27 + S-2 1.837e-13 4.429e-14 -12.736 -13.354 -0.618 (0) + (H2S)2 2.160e-17 2.349e-17 -16.665 -16.629 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -188616,14 +187635,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -188634,21 +187653,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.68 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.60 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -188672,7 +187691,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.778e-11 Surface + diffuse layer charge, eq + -9.806e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -188682,7 +187701,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -188691,14 +187710,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6591e-10 H 1.2950e-04 - Hto 1.3210e-11 + Hto 1.3209e-11 I 6.7249e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1955e-12 + Nat 2.1951e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -188717,30 +187736,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.120e-10 1.319e-11 + Hto 1.119e-10 1.319e-11 I 5.708e-11 6.724e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.736e-12 4.401e-13 + Nat 3.735e-12 4.400e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.073e-09 + Electrical balance (eq) = -1.426e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -188751,11 +187770,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.007e-11 - CH4 4.007e-11 4.357e-11 -10.397 -10.361 0.036 35.46 +C(-4) 4.106e-11 + CH4 4.106e-11 4.464e-11 -10.387 -10.350 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -188767,8 +187786,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -188779,10 +187798,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.065e-11 - H2 1.033e-11 1.123e-11 -10.986 -10.950 0.036 28.61 -Hto 1.120e-10 - Hto 1.120e-10 1.120e-10 -9.951 -9.951 0.000 (0) +H(0) 2.078e-11 + H2 1.039e-11 1.130e-11 -10.983 -10.947 0.036 28.61 +Hto 1.119e-10 + Hto 1.119e-10 1.119e-10 -9.951 -9.951 0.000 (0) I 5.708e-11 I- 5.708e-11 5.708e-11 -10.244 -10.244 -0.000 (0) K 1.540e-03 @@ -188800,16 +187819,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.736e-12 - Nat+ 3.736e-12 3.736e-12 -11.428 -11.428 -0.000 (0) +Nat 3.735e-12 + Nat+ 3.735e-12 3.735e-12 -11.428 -11.428 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.526 -70.489 0.036 30.40 -S(-2) 6.278e-08 - HS- 4.391e-08 2.891e-08 -7.357 -7.539 -0.182 21.14 - H2S 1.887e-08 2.051e-08 -7.724 -7.688 0.036 36.27 - S-2 1.785e-13 4.302e-14 -12.748 -13.366 -0.618 (0) - (H2S)2 2.039e-17 2.217e-17 -16.691 -16.654 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.531 -70.495 0.036 30.40 +S(-2) 6.432e-08 + HS- 4.499e-08 2.962e-08 -7.347 -7.528 -0.182 21.14 + H2S 1.933e-08 2.102e-08 -7.714 -7.677 0.036 36.27 + S-2 1.829e-13 4.408e-14 -12.738 -13.356 -0.618 (0) + (H2S)2 2.141e-17 2.328e-17 -16.669 -16.633 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -188824,8 +187842,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -188836,21 +187854,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.68 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -188874,7 +187892,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.773e-11 Surface + diffuse layer charge, eq + -9.801e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -188884,7 +187902,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -188893,14 +187911,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6591e-10 H 1.2950e-04 - Hto 2.4559e-12 + Hto 2.4556e-12 I 1.0752e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5075e-13 + Nat 2.5069e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -188924,25 +187942,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.267e-13 5.027e-14 + Nat 4.266e-13 5.026e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.529e-09 + Electrical balance (eq) = -1.881e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -188953,11 +187971,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.999e-11 - CH4 3.999e-11 4.348e-11 -10.398 -10.362 0.036 35.46 +C(-4) 4.098e-11 + CH4 4.098e-11 4.455e-11 -10.387 -10.351 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -188969,8 +187987,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -188981,8 +187999,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.064e-11 - H2 1.032e-11 1.122e-11 -10.986 -10.950 0.036 28.61 +H(0) 2.077e-11 + H2 1.038e-11 1.129e-11 -10.984 -10.947 0.036 28.61 Hto 2.081e-11 Hto 2.081e-11 2.081e-11 -10.682 -10.682 0.000 (0) I 9.126e-12 @@ -189002,16 +188020,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.267e-13 - Nat+ 4.267e-13 4.267e-13 -12.370 -12.370 -0.000 (0) +Nat 4.266e-13 + Nat+ 4.266e-13 4.266e-13 -12.370 -12.370 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.525 -70.489 0.036 30.40 -S(-2) 6.265e-08 - HS- 4.383e-08 2.885e-08 -7.358 -7.540 -0.182 21.14 - H2S 1.883e-08 2.047e-08 -7.725 -7.689 0.036 36.27 - S-2 1.781e-13 4.294e-14 -12.749 -13.367 -0.618 (0) - (H2S)2 2.031e-17 2.208e-17 -16.692 -16.656 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.531 -70.494 0.036 30.40 +S(-2) 6.420e-08 + HS- 4.491e-08 2.956e-08 -7.348 -7.529 -0.182 21.14 + H2S 1.929e-08 2.098e-08 -7.715 -7.678 0.036 36.27 + S-2 1.825e-13 4.400e-14 -12.739 -13.357 -0.618 (0) + (H2S)2 2.133e-17 2.319e-17 -16.671 -16.635 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -189026,8 +188043,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -189038,21 +188055,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.68 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -189076,7 +188093,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.773e-11 Surface + diffuse layer charge, eq + -9.801e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -189086,7 +188103,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -189095,14 +188112,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6591e-10 H 1.2950e-04 - Hto 4.0651e-13 - I 1.5270e-25 + Hto 4.0646e-13 + I 1.5265e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5276e-14 + Nat 2.5270e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -189121,30 +188138,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.445e-12 4.059e-13 + Hto 3.445e-12 4.058e-13 I 1.296e-12 1.527e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.301e-14 5.067e-15 + Nat 4.300e-14 5.066e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.543e-09 + Electrical balance (eq) = -1.895e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -189155,11 +188172,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.005e-11 - CH4 4.005e-11 4.354e-11 -10.397 -10.361 0.036 35.46 +C(-4) 4.103e-11 + CH4 4.103e-11 4.461e-11 -10.387 -10.351 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -189171,8 +188188,8 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -189183,8 +188200,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.065e-11 - H2 1.033e-11 1.123e-11 -10.986 -10.950 0.036 28.61 +H(0) 2.078e-11 + H2 1.039e-11 1.129e-11 -10.983 -10.947 0.036 28.61 Hto 3.445e-12 Hto 3.445e-12 3.445e-12 -11.463 -11.463 0.000 (0) I 1.296e-12 @@ -189204,16 +188221,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.301e-14 - Nat+ 4.301e-14 4.301e-14 -13.366 -13.366 -0.000 (0) +Nat 4.300e-14 + Nat+ 4.300e-14 4.300e-14 -13.367 -13.367 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.526 -70.489 0.036 30.40 -S(-2) 6.274e-08 - HS- 4.388e-08 2.889e-08 -7.358 -7.539 -0.182 21.14 - H2S 1.885e-08 2.050e-08 -7.725 -7.688 0.036 36.27 - S-2 1.784e-13 4.300e-14 -12.749 -13.367 -0.618 (0) - (H2S)2 2.037e-17 2.214e-17 -16.691 -16.655 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.531 -70.495 0.036 30.40 +S(-2) 6.429e-08 + HS- 4.497e-08 2.960e-08 -7.347 -7.529 -0.182 21.14 + H2S 1.932e-08 2.100e-08 -7.714 -7.678 0.036 36.27 + S-2 1.828e-13 4.406e-14 -12.738 -13.356 -0.618 (0) + (H2S)2 2.138e-17 2.325e-17 -16.670 -16.634 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -189228,8 +188244,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -189240,21 +188256,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.68 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -189278,7 +188294,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.781e-11 Surface + diffuse layer charge, eq + -9.808e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -189288,7 +188304,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -189297,14 +188313,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6593e-10 + Cl 4.6591e-10 H 1.2950e-04 - Hto 6.0216e-14 - I 1.9359e-26 + Hto 6.0207e-14 + I 1.9355e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2646e-15 + Nat 2.2640e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -189323,30 +188339,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.103e-13 6.012e-14 + Hto 5.102e-13 6.011e-14 I 1.643e-13 1.936e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.853e-15 4.540e-16 + Nat 3.852e-15 4.538e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.188e-11 + Electrical balance (eq) = -4.045e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -189357,11 +188373,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.024e-11 - CH4 4.024e-11 4.375e-11 -10.395 -10.359 0.036 35.46 +C(-4) 4.123e-11 + CH4 4.123e-11 4.482e-11 -10.385 -10.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -189371,10 +188387,10 @@ C(4) 2.744e-03 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -189385,10 +188401,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.067e-11 - H2 1.034e-11 1.124e-11 -10.986 -10.949 0.036 28.61 -Hto 5.103e-13 - Hto 5.103e-13 5.103e-13 -12.292 -12.292 0.000 (0) +H(0) 2.080e-11 + H2 1.040e-11 1.131e-11 -10.983 -10.947 0.036 28.61 +Hto 5.102e-13 + Hto 5.102e-13 5.102e-13 -12.292 -12.292 0.000 (0) I 1.643e-13 I- 1.643e-13 1.643e-13 -12.784 -12.784 -0.000 (0) K 1.540e-03 @@ -189406,16 +188422,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.853e-15 - Nat+ 3.853e-15 3.853e-15 -14.414 -14.414 -0.000 (0) +Nat 3.852e-15 + Nat+ 3.852e-15 3.852e-15 -14.414 -14.414 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.527 -70.490 0.036 30.40 -S(-2) 6.304e-08 - HS- 4.410e-08 2.903e-08 -7.356 -7.537 -0.182 21.14 - H2S 1.895e-08 2.060e-08 -7.722 -7.686 0.036 36.27 - S-2 1.792e-13 4.320e-14 -12.747 -13.364 -0.618 (0) - (H2S)2 2.056e-17 2.236e-17 -16.687 -16.651 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.532 -70.496 0.036 30.40 +S(-2) 6.459e-08 + HS- 4.518e-08 2.974e-08 -7.345 -7.527 -0.182 21.14 + H2S 1.941e-08 2.110e-08 -7.712 -7.676 0.036 36.27 + S-2 1.836e-13 4.426e-14 -12.736 -13.354 -0.618 (0) + (H2S)2 2.158e-17 2.347e-17 -16.666 -16.630 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -189424,14 +188439,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -189442,21 +188457,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.68 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.60 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -189480,7 +188495,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.789e-11 Surface + diffuse layer charge, eq + -9.816e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -189490,7 +188505,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -189499,14 +188514,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 8.0171e-15 - I 2.2025e-27 + Hto 8.0158e-15 + I 2.2017e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8135e-16 + Nat 1.8129e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -189525,30 +188540,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.794e-14 8.004e-15 + Hto 6.793e-14 8.003e-15 I 1.869e-14 2.202e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.086e-16 3.635e-17 + Nat 3.085e-16 3.634e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.638e-09 + Electrical balance (eq) = -1.991e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -189559,24 +188574,24 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.051e-11 - CH4 4.051e-11 4.404e-11 -10.392 -10.356 0.036 35.46 +C(-4) 4.150e-11 + CH4 4.150e-11 4.512e-11 -10.382 -10.346 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -189587,10 +188602,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.071e-11 - H2 1.035e-11 1.126e-11 -10.985 -10.949 0.036 28.61 -Hto 6.794e-14 - Hto 6.794e-14 6.794e-14 -13.168 -13.168 0.000 (0) +H(0) 2.083e-11 + H2 1.042e-11 1.133e-11 -10.982 -10.946 0.036 28.61 +Hto 6.793e-14 + Hto 6.793e-14 6.793e-14 -13.168 -13.168 0.000 (0) I 1.869e-14 I- 1.869e-14 1.869e-14 -13.728 -13.728 -0.000 (0) K 1.540e-03 @@ -189608,16 +188623,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.086e-16 - Nat+ 3.086e-16 3.086e-16 -15.511 -15.511 -0.000 (0) +Nat 3.085e-16 + Nat+ 3.085e-16 3.085e-16 -15.511 -15.511 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.528 -70.492 0.036 30.40 -S(-2) 6.346e-08 - HS- 4.439e-08 2.922e-08 -7.353 -7.534 -0.182 21.14 - H2S 1.907e-08 2.074e-08 -7.720 -7.683 0.036 36.27 - S-2 1.804e-13 4.349e-14 -12.744 -13.362 -0.618 (0) - (H2S)2 2.084e-17 2.266e-17 -16.681 -16.645 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.533 -70.497 0.036 30.40 +S(-2) 6.501e-08 + HS- 4.547e-08 2.994e-08 -7.342 -7.524 -0.182 21.14 + H2S 1.954e-08 2.124e-08 -7.709 -7.673 0.036 36.27 + S-2 1.848e-13 4.455e-14 -12.733 -13.351 -0.618 (0) + (H2S)2 2.187e-17 2.377e-17 -16.660 -16.624 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -189626,14 +188640,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -189644,21 +188658,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.36 -2.80 CH4 + CH4(g) -7.54 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.62 -7.94 H2S + H2S(g) -6.68 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.60 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.12 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -189682,7 +188696,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.796e-11 Surface + diffuse layer charge, eq + -9.824e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -189692,7 +188706,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -189701,14 +188715,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 9.6285e-16 + Hto 9.6268e-16 I 2.2571e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3041e-17 + Nat 1.3037e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -189727,30 +188741,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.160e-15 9.613e-16 + Hto 8.158e-15 9.611e-16 I 1.916e-15 2.257e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.219e-17 2.614e-18 + Nat 2.218e-17 2.613e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.640e-09 + Electrical balance (eq) = -1.993e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -189764,18 +188778,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.072e-11 - CH4 4.072e-11 4.428e-11 -10.390 -10.354 0.036 35.46 +C(-4) 4.171e-11 + CH4 4.171e-11 4.535e-11 -10.380 -10.343 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -189789,10 +188803,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.074e-11 - H2 1.037e-11 1.127e-11 -10.984 -10.948 0.036 28.61 -Hto 8.160e-15 - Hto 8.160e-15 8.160e-15 -14.088 -14.088 0.000 (0) +H(0) 2.086e-11 + H2 1.043e-11 1.134e-11 -10.982 -10.945 0.036 28.61 +Hto 8.158e-15 + Hto 8.158e-15 8.158e-15 -14.088 -14.088 0.000 (0) I 1.916e-15 I- 1.916e-15 1.916e-15 -14.718 -14.718 -0.000 (0) K 1.540e-03 @@ -189810,16 +188824,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.219e-17 - Nat+ 2.219e-17 2.219e-17 -16.654 -16.654 -0.000 (0) +Nat 2.218e-17 + Nat+ 2.218e-17 2.218e-17 -16.654 -16.654 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.529 -70.493 0.036 30.40 -S(-2) 6.380e-08 - HS- 4.463e-08 2.938e-08 -7.350 -7.532 -0.182 21.14 - H2S 1.917e-08 2.085e-08 -7.717 -7.681 0.036 36.27 - S-2 1.814e-13 4.372e-14 -12.741 -13.359 -0.618 (0) - (H2S)2 2.106e-17 2.290e-17 -16.677 -16.640 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.534 -70.498 0.036 30.40 +S(-2) 6.535e-08 + HS- 4.571e-08 3.009e-08 -7.340 -7.522 -0.182 21.14 + H2S 1.964e-08 2.135e-08 -7.707 -7.671 0.036 36.27 + S-2 1.858e-13 4.479e-14 -12.731 -13.349 -0.618 (0) + (H2S)2 2.209e-17 2.402e-17 -16.656 -16.619 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -189828,14 +188841,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -189846,21 +188859,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.62 -7.94 H2S + H2S(g) -6.68 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.12 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -189884,7 +188897,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.799e-11 Surface + diffuse layer charge, eq + -9.827e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -189894,7 +188907,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -189903,14 +188916,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 1.0463e-16 - I 2.0905e-29 + Hto 1.0461e-16 + I 2.0902e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.4537e-19 + Nat 8.4507e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -189929,30 +188942,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.867e-16 1.045e-16 + Hto 8.865e-16 1.044e-16 I 1.774e-16 2.090e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.438e-18 1.695e-19 + Nat 1.438e-18 1.694e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.641e-09 + Electrical balance (eq) = -1.994e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -189966,18 +188979,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.084e-11 - CH4 4.084e-11 4.440e-11 -10.389 -10.353 0.036 35.46 +C(-4) 4.182e-11 + CH4 4.182e-11 4.547e-11 -10.379 -10.342 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -189991,10 +189004,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.075e-11 - H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 -Hto 8.867e-16 - Hto 8.867e-16 8.867e-16 -15.052 -15.052 0.000 (0) +H(0) 2.088e-11 + H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 +Hto 8.865e-16 + Hto 8.865e-16 8.865e-16 -15.052 -15.052 0.000 (0) I 1.774e-16 I- 1.774e-16 1.774e-16 -15.751 -15.751 -0.000 (0) K 1.540e-03 @@ -190012,16 +189025,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.438e-18 Nat+ 1.438e-18 1.438e-18 -17.842 -17.842 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.530 -70.493 0.036 30.40 -S(-2) 6.398e-08 - HS- 4.475e-08 2.946e-08 -7.349 -7.531 -0.182 21.14 - H2S 1.923e-08 2.090e-08 -7.716 -7.680 0.036 36.27 - S-2 1.819e-13 4.384e-14 -12.740 -13.358 -0.618 (0) - (H2S)2 2.118e-17 2.302e-17 -16.674 -16.638 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 +S(-2) 6.552e-08 + HS- 4.583e-08 3.017e-08 -7.339 -7.520 -0.182 21.14 + H2S 1.969e-08 2.141e-08 -7.706 -7.669 0.036 36.27 + S-2 1.863e-13 4.491e-14 -12.730 -13.348 -0.618 (0) + (H2S)2 2.221e-17 2.415e-17 -16.653 -16.617 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -190030,14 +189042,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -190048,21 +189060,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.76 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -190086,7 +189098,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.800e-11 Surface + diffuse layer charge, eq + -9.828e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -190096,7 +189108,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -190105,14 +189117,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 1.0313e-17 + Hto 1.0310e-17 I 1.7541e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9551e-20 + Nat 4.9532e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -190131,30 +189143,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.739e-17 1.030e-17 + Hto 8.738e-17 1.029e-17 I 1.489e-17 1.754e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.432e-20 9.933e-21 + Nat 8.428e-20 9.930e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.641e-09 + Electrical balance (eq) = -1.994e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -190168,18 +189180,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.088e-11 - CH4 4.088e-11 4.444e-11 -10.389 -10.352 0.036 35.46 +C(-4) 4.187e-11 + CH4 4.187e-11 4.552e-11 -10.378 -10.342 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -190193,10 +189205,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.076e-11 - H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 -Hto 8.739e-17 - Hto 8.739e-17 8.739e-17 -16.059 -16.059 0.000 (0) +H(0) 2.088e-11 + H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 +Hto 8.738e-17 + Hto 8.738e-17 8.738e-17 -16.059 -16.059 0.000 (0) I 1.489e-17 I- 1.489e-17 1.489e-17 -16.827 -16.827 -0.000 (0) K 1.540e-03 @@ -190214,16 +189226,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.432e-20 - Nat+ 8.432e-20 8.432e-20 -19.074 -19.074 -0.000 (0) +Nat 8.428e-20 + Nat+ 8.428e-20 8.428e-20 -19.074 -19.074 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 -S(-2) 6.404e-08 - HS- 4.480e-08 2.949e-08 -7.349 -7.530 -0.182 21.14 - H2S 1.925e-08 2.092e-08 -7.716 -7.679 0.036 36.27 - S-2 1.821e-13 4.389e-14 -12.740 -13.358 -0.618 (0) - (H2S)2 2.122e-17 2.307e-17 -16.673 -16.637 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 +S(-2) 6.559e-08 + HS- 4.588e-08 3.020e-08 -7.338 -7.520 -0.182 21.14 + H2S 1.971e-08 2.143e-08 -7.705 -7.669 0.036 36.27 + S-2 1.865e-13 4.495e-14 -12.729 -13.347 -0.618 (0) + (H2S)2 2.226e-17 2.420e-17 -16.653 -16.616 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -190232,14 +189243,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -190250,21 +189261,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.76 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -190288,7 +189299,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.800e-11 Surface + diffuse layer charge, eq + -9.828e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -190298,7 +189309,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -190307,14 +189318,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 9.2379e-19 - I 1.3366e-31 + Hto 9.2358e-19 + I 1.3364e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6326e-21 + Nat 2.6315e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -190333,30 +189344,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.829e-18 9.223e-19 + Hto 7.827e-18 9.221e-19 I 1.134e-18 1.336e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.480e-21 5.277e-22 + Nat 4.478e-21 5.275e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.641e-09 + Electrical balance (eq) = -1.994e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -190370,18 +189381,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.089e-11 - CH4 4.089e-11 4.446e-11 -10.388 -10.352 0.036 35.46 +C(-4) 4.188e-11 + CH4 4.188e-11 4.553e-11 -10.378 -10.342 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -190395,10 +189406,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.076e-11 - H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 -Hto 7.829e-18 - Hto 7.829e-18 7.829e-18 -17.106 -17.106 0.000 (0) +H(0) 2.088e-11 + H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 +Hto 7.827e-18 + Hto 7.827e-18 7.827e-18 -17.106 -17.106 0.000 (0) I 1.134e-18 I- 1.134e-18 1.134e-18 -17.945 -17.945 -0.000 (0) K 1.540e-03 @@ -190416,16 +189427,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.480e-21 - Nat+ 4.480e-21 4.480e-21 -20.349 -20.349 -0.000 (0) +Nat 4.478e-21 + Nat+ 4.478e-21 4.478e-21 -20.349 -20.349 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 -S(-2) 6.406e-08 - HS- 4.481e-08 2.950e-08 -7.349 -7.530 -0.182 21.14 - H2S 1.925e-08 2.093e-08 -7.716 -7.679 0.036 36.27 - S-2 1.821e-13 4.390e-14 -12.740 -13.358 -0.618 (0) - (H2S)2 2.123e-17 2.308e-17 -16.673 -16.637 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 +S(-2) 6.561e-08 + HS- 4.589e-08 3.021e-08 -7.338 -7.520 -0.182 21.14 + H2S 1.972e-08 2.143e-08 -7.705 -7.669 0.036 36.27 + S-2 1.865e-13 4.496e-14 -12.729 -13.347 -0.618 (0) + (H2S)2 2.227e-17 2.421e-17 -16.652 -16.616 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -190434,14 +189444,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -190452,21 +189462,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.76 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -190490,7 +189500,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.800e-11 Surface + diffuse layer charge, eq + -9.828e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -190500,7 +189510,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -190509,14 +189519,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 7.5326e-20 + Hto 7.5307e-20 I 9.2640e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2690e-22 + Nat 1.2685e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -190535,30 +189545,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.384e-19 7.520e-20 + Hto 6.382e-19 7.519e-20 I 7.863e-20 9.263e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.159e-22 2.544e-23 + Nat 2.158e-22 2.543e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.641e-09 + Electrical balance (eq) = -1.994e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -190572,18 +189582,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.089e-11 - CH4 4.089e-11 4.446e-11 -10.388 -10.352 0.036 35.46 +C(-4) 4.188e-11 + CH4 4.188e-11 4.553e-11 -10.378 -10.342 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -190597,10 +189607,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.076e-11 - H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 -Hto 6.384e-19 - Hto 6.384e-19 6.384e-19 -18.195 -18.195 0.000 (0) +H(0) 2.088e-11 + H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 +Hto 6.382e-19 + Hto 6.382e-19 6.382e-19 -18.195 -18.195 0.000 (0) I 7.863e-20 I- 7.863e-20 7.863e-20 -19.104 -19.104 -0.000 (0) K 1.540e-03 @@ -190618,16 +189628,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.159e-22 - Nat+ 2.159e-22 2.159e-22 -21.666 -21.666 -0.000 (0) +Nat 2.158e-22 + Nat+ 2.158e-22 2.158e-22 -21.666 -21.666 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 -S(-2) 6.406e-08 - HS- 4.481e-08 2.950e-08 -7.349 -7.530 -0.182 21.14 - H2S 1.925e-08 2.093e-08 -7.716 -7.679 0.036 36.27 - S-2 1.821e-13 4.390e-14 -12.740 -13.357 -0.618 (0) - (H2S)2 2.123e-17 2.309e-17 -16.673 -16.637 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 +S(-2) 6.561e-08 + HS- 4.589e-08 3.021e-08 -7.338 -7.520 -0.182 21.14 + H2S 1.972e-08 2.144e-08 -7.705 -7.669 0.036 36.27 + S-2 1.865e-13 4.497e-14 -12.729 -13.347 -0.618 (0) + (H2S)2 2.227e-17 2.421e-17 -16.652 -16.616 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -190636,14 +189645,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -190654,21 +189663,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.76 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -190692,7 +189701,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.800e-11 Surface + diffuse layer charge, eq + -9.828e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -190702,7 +189711,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -190711,14 +189720,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 5.5985e-21 - I 5.8483e-34 + Hto 5.5970e-21 + I 5.8474e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3643e-24 + Nat 5.3619e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -190737,30 +189746,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.744e-20 5.589e-21 + Hto 4.743e-20 5.588e-21 I 4.963e-21 5.847e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.128e-24 1.075e-24 + Nat 9.124e-24 1.075e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.641e-09 + Electrical balance (eq) = -1.994e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -190774,18 +189783,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.089e-11 - CH4 4.089e-11 4.446e-11 -10.388 -10.352 0.036 35.46 +C(-4) 4.188e-11 + CH4 4.188e-11 4.553e-11 -10.378 -10.342 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -190799,10 +189808,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.076e-11 - H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 -Hto 4.744e-20 - Hto 4.744e-20 4.744e-20 -19.324 -19.324 0.000 (0) +H(0) 2.088e-11 + H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 +Hto 4.743e-20 + Hto 4.743e-20 4.743e-20 -19.324 -19.324 0.000 (0) I 4.963e-21 I- 4.963e-21 4.963e-21 -20.304 -20.304 -0.000 (0) K 1.540e-03 @@ -190820,16 +189829,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 9.128e-24 - Nat+ 9.128e-24 9.128e-24 -23.040 -23.040 -0.000 (0) +Nat 9.124e-24 + Nat+ 9.124e-24 9.124e-24 -23.040 -23.040 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 -S(-2) 6.406e-08 - HS- 4.481e-08 2.950e-08 -7.349 -7.530 -0.182 21.14 - H2S 1.925e-08 2.093e-08 -7.716 -7.679 0.036 36.27 - S-2 1.821e-13 4.391e-14 -12.740 -13.357 -0.618 (0) - (H2S)2 2.124e-17 2.309e-17 -16.673 -16.637 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 +S(-2) 6.561e-08 + HS- 4.589e-08 3.021e-08 -7.338 -7.520 -0.182 21.14 + H2S 1.972e-08 2.144e-08 -7.705 -7.669 0.036 36.27 + S-2 1.865e-13 4.497e-14 -12.729 -13.347 -0.618 (0) + (H2S)2 2.227e-17 2.421e-17 -16.652 -16.616 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -190838,14 +189846,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -190856,21 +189864,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.76 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -190894,7 +189902,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.800e-11 Surface + diffuse layer charge, eq + -9.828e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -190904,7 +189912,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -190913,10 +189921,10 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 4.0268e-22 - I 3.5324e-35 + Hto 4.0256e-22 + I 3.5318e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -190938,7 +189946,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.413e-21 4.020e-22 + Hto 3.412e-21 4.019e-22 I 2.998e-22 3.532e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -190949,18 +189957,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.641e-09 + Electrical balance (eq) = -1.994e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -190974,18 +189982,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.089e-11 - CH4 4.089e-11 4.446e-11 -10.388 -10.352 0.036 35.46 +C(-4) 4.188e-11 + CH4 4.188e-11 4.553e-11 -10.378 -10.342 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -190999,10 +190007,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.076e-11 - H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 -Hto 3.413e-21 - Hto 3.413e-21 3.413e-21 -20.467 -20.467 0.000 (0) +H(0) 2.088e-11 + H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 +Hto 3.412e-21 + Hto 3.412e-21 3.412e-21 -20.467 -20.467 0.000 (0) I 2.998e-22 I- 2.998e-22 2.998e-22 -21.523 -21.523 -0.000 (0) K 1.540e-03 @@ -191020,14 +190028,13 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.530 -70.494 0.036 30.40 -S(-2) 6.407e-08 - HS- 4.481e-08 2.950e-08 -7.349 -7.530 -0.182 21.14 - H2S 1.925e-08 2.093e-08 -7.716 -7.679 0.036 36.27 - S-2 1.821e-13 4.391e-14 -12.740 -13.357 -0.618 (0) - (H2S)2 2.124e-17 2.309e-17 -16.673 -16.637 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 +S(-2) 6.561e-08 + HS- 4.589e-08 3.021e-08 -7.338 -7.520 -0.182 21.14 + H2S 1.972e-08 2.144e-08 -7.705 -7.669 0.036 36.27 + S-2 1.865e-13 4.497e-14 -12.729 -13.347 -0.618 (0) + (H2S)2 2.227e-17 2.421e-17 -16.652 -16.616 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -191036,14 +190043,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -191054,21 +190061,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.76 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -191098,18 +190105,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -191123,8 +190130,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -191148,8 +190155,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -191169,16 +190176,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -191205,21 +190211,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -191247,18 +190253,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -191272,8 +190278,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -191297,8 +190303,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -191318,16 +190324,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -191354,21 +190359,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -191405,18 +190410,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.054 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.053 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.023e-12 + Electrical balance (eq) = -9.824e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -191430,8 +190435,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.292e-12 - CH4 3.292e-12 3.579e-12 -11.483 -11.446 0.036 35.46 +C(-4) 3.210e-12 + CH4 3.210e-12 3.490e-12 -11.493 -11.457 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -191443,7 +190448,7 @@ C(4) 2.744e-03 MgCO3 3.627e-06 3.943e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.600e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -191455,8 +190460,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.105e-11 - H2 5.527e-12 6.009e-12 -11.258 -11.221 0.036 28.61 +H(0) 1.098e-11 + H2 5.492e-12 5.971e-12 -11.260 -11.224 0.036 28.61 Hto 5.196e-07 Hto 5.196e-07 5.196e-07 -6.284 -6.284 0.000 (0) I 7.013e-07 @@ -191476,16 +190481,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.889e-07 Nat+ 2.889e-07 2.889e-07 -6.539 -6.539 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.983 -69.946 0.036 30.40 -S(-2) 5.161e-09 - HS- 3.608e-09 2.375e-09 -8.443 -8.624 -0.182 21.14 - H2S 1.553e-09 1.688e-09 -8.809 -8.773 0.036 36.27 - S-2 1.465e-14 3.530e-15 -13.834 -14.452 -0.618 (0) - (H2S)2 1.381e-19 1.501e-19 -18.860 -18.824 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.977 -69.941 0.036 30.40 +S(-2) 5.032e-09 + HS- 3.518e-09 2.316e-09 -8.454 -8.635 -0.182 21.14 + H2S 1.514e-09 1.646e-09 -8.820 -8.784 0.036 36.27 + S-2 1.428e-14 3.442e-15 -13.845 -14.463 -0.618 (0) + (H2S)2 1.313e-19 1.427e-19 -18.882 -18.845 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -191500,7 +190504,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.529e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -191512,21 +190516,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.64 -11.45 -2.80 CH4 + CH4(g) -8.66 -11.46 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.12 -11.22 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.78 -15.71 -7.94 H2S + H2S(g) -7.79 -15.73 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.05 -69.95 -2.89 O2 + O2(g) -67.05 -69.94 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.58 -0.70 4.88 S + Sulfur -5.59 -0.71 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -191550,7 +190554,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -5.040e-14 Surface + diffuse layer charge, eq + -4.924e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -191560,7 +190564,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -191569,7 +190573,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6649e-10 + Cl 4.6650e-10 H 1.2948e-04 Hto 5.3788e-08 I 7.2580e-20 @@ -191608,17 +190612,17 @@ Su pH = 7.090 Charge balance pe = -3.107 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.946e-09 + Electrical balance (eq) = 1.678e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -191632,8 +190636,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.669e-12 - CH4 8.669e-12 9.425e-12 -11.062 -11.026 0.036 35.46 +C(-4) 8.608e-12 + CH4 8.608e-12 9.359e-12 -11.065 -11.029 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 @@ -191652,13 +190656,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.875e-08 1.370e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.408e-11 - H2 7.041e-12 7.655e-12 -11.152 -11.116 0.036 28.61 +H(0) 1.406e-11 + H2 7.029e-12 7.642e-12 -11.153 -11.117 0.036 28.61 Hto 4.558e-07 Hto 4.558e-07 4.558e-07 -6.341 -6.341 0.000 (0) I 6.160e-07 @@ -191678,16 +190682,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.611e-07 Nat+ 2.611e-07 2.611e-07 -6.583 -6.583 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.193 -70.157 0.036 30.40 -S(-2) 1.359e-08 - HS- 9.501e-09 6.255e-09 -8.022 -8.204 -0.182 21.14 - H2S 4.087e-09 4.444e-09 -8.389 -8.352 0.036 36.27 - S-2 3.857e-14 9.297e-15 -13.414 -14.032 -0.618 (0) - (H2S)2 9.570e-19 1.040e-18 -18.019 -17.983 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.191 -70.155 0.036 30.40 +S(-2) 1.349e-08 + HS- 9.435e-09 6.211e-09 -8.025 -8.207 -0.182 21.14 + H2S 4.059e-09 4.413e-09 -8.392 -8.355 0.036 36.27 + S-2 3.830e-14 9.233e-15 -13.417 -14.035 -0.618 (0) + (H2S)2 9.437e-19 1.026e-18 -18.025 -17.989 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -191714,14 +190717,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.22 -11.03 -2.80 CH4 + CH4(g) -8.23 -11.03 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.01 -11.12 -3.10 H2 + H2(g) -8.02 -11.12 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.36 -15.29 -7.94 H2S + H2S(g) -7.36 -15.30 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -191762,7 +190765,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -191778,7 +190781,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.8703e-08 + Nat 8.8702e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -191810,18 +190813,18 @@ Su pH = 7.090 Charge balance pe = -3.172 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.171e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.570e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -191834,8 +190837,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.839e-11 - CH4 2.839e-11 3.087e-11 -10.547 -10.510 0.036 35.46 +C(-4) 2.845e-11 + CH4 2.845e-11 3.093e-11 -10.546 -10.510 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -191859,8 +190862,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.895e-11 - H2 9.474e-12 1.030e-11 -11.023 -10.987 0.036 28.61 +H(0) 1.896e-11 + H2 9.478e-12 1.030e-11 -11.023 -10.987 0.036 28.61 Hto 2.948e-07 Hto 2.948e-07 2.948e-07 -6.530 -6.530 0.000 (0) I 3.676e-07 @@ -191880,16 +190883,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.509e-07 Nat+ 1.509e-07 1.509e-07 -6.821 -6.821 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.451 -70.414 0.036 30.40 -S(-2) 4.449e-08 - HS- 3.111e-08 2.048e-08 -7.507 -7.689 -0.182 21.14 - H2S 1.337e-08 1.454e-08 -7.874 -7.837 0.036 36.27 - S-2 1.264e-13 3.047e-14 -12.898 -13.516 -0.618 (0) - (H2S)2 1.025e-17 1.114e-17 -16.989 -16.953 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.451 -70.415 0.036 30.40 +S(-2) 4.458e-08 + HS- 3.118e-08 2.052e-08 -7.506 -7.688 -0.182 21.14 + H2S 1.340e-08 1.457e-08 -7.873 -7.837 0.036 36.27 + S-2 1.267e-13 3.053e-14 -12.897 -13.515 -0.618 (0) + (H2S)2 1.029e-17 1.119e-17 -16.988 -16.951 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -191930,7 +190932,7 @@ Sr 5.000e-04 Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.52 -70.41 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.88 -0.00 4.88 S + Sulfur -4.88 0.00 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -191954,7 +190956,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.815e-11 Surface + diffuse layer charge, eq + -9.819e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -191964,7 +190966,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -191973,7 +190975,7 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6598e-10 + Cl 4.6597e-10 H 1.2950e-04 Hto 1.8660e-08 I 2.1103e-20 @@ -192004,25 +191006,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.409e-08 7.550e-09 + Nat 6.408e-08 7.550e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.186 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.187 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.090e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -192033,11 +191035,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.875e-07 1.235e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.689e-11 - CH4 3.689e-11 4.010e-11 -10.433 -10.397 0.036 35.46 +C(-4) 3.720e-11 + CH4 3.720e-11 4.045e-11 -10.429 -10.393 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -192046,7 +191048,7 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.539e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 @@ -192056,13 +191058,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.877e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.023e-11 - H2 1.011e-11 1.100e-11 -10.995 -10.959 0.036 28.61 +H(0) 2.027e-11 + H2 1.014e-11 1.102e-11 -10.994 -10.958 0.036 28.61 Hto 1.581e-07 Hto 1.581e-07 1.581e-07 -6.801 -6.801 0.000 (0) I 1.791e-07 @@ -192076,22 +191078,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.632e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.409e-08 - Nat+ 6.409e-08 6.409e-08 -7.193 -7.193 -0.000 (0) +Nat 6.408e-08 + Nat+ 6.408e-08 6.408e-08 -7.193 -7.193 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.508 -70.471 0.036 30.40 -S(-2) 5.779e-08 - HS- 4.042e-08 2.661e-08 -7.393 -7.575 -0.182 21.14 - H2S 1.737e-08 1.888e-08 -7.760 -7.724 0.036 36.27 - S-2 1.643e-13 3.960e-14 -12.784 -13.402 -0.618 (0) - (H2S)2 1.728e-17 1.879e-17 -16.762 -16.726 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.510 -70.473 0.036 30.40 +S(-2) 5.829e-08 + HS- 4.077e-08 2.684e-08 -7.390 -7.571 -0.182 21.14 + H2S 1.752e-08 1.905e-08 -7.757 -7.720 0.036 36.27 + S-2 1.657e-13 3.994e-14 -12.781 -13.399 -0.618 (0) + (H2S)2 1.758e-17 1.911e-17 -16.755 -16.719 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -192118,21 +191119,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.40 -2.80 CH4 + CH4(g) -7.59 -10.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.86 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.73 -14.67 -7.94 H2S + H2S(g) -6.73 -14.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.58 -70.47 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.80 0.08 4.88 S + Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -192156,7 +191157,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.864e-11 Surface + diffuse layer charge, eq + -9.881e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -192166,7 +191167,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -192175,14 +191176,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6592e-10 + Cl 4.6591e-10 H 1.2950e-04 - Hto 8.3715e-09 - I 8.4803e-21 + Hto 8.3713e-09 + I 8.4819e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2315e-08 + Nat 1.2314e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -192206,25 +191207,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.096e-08 2.469e-09 + Nat 2.095e-08 2.469e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.192 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.747e-09 + Electrical balance (eq) = -2.098e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -192235,36 +191236,36 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.023e-11 - CH4 4.023e-11 4.374e-11 -10.395 -10.359 0.036 35.46 +C(-4) 4.084e-11 + CH4 4.084e-11 4.440e-11 -10.389 -10.353 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.067e-11 - H2 1.034e-11 1.124e-11 -10.986 -10.949 0.036 28.61 +H(0) 2.075e-11 + H2 1.038e-11 1.128e-11 -10.984 -10.948 0.036 28.61 Hto 7.094e-08 Hto 7.094e-08 7.094e-08 -7.149 -7.149 0.000 (0) I 7.198e-08 @@ -192272,7 +191273,7 @@ I 7.198e-08 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -192284,16 +191285,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.096e-08 - Nat+ 2.096e-08 2.096e-08 -7.679 -7.679 -0.000 (0) +Nat 2.095e-08 + Nat+ 2.095e-08 2.095e-08 -7.679 -7.679 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.527 -70.490 0.036 30.40 -S(-2) 6.302e-08 - HS- 4.408e-08 2.902e-08 -7.356 -7.537 -0.182 21.14 - H2S 1.894e-08 2.059e-08 -7.723 -7.686 0.036 36.27 - S-2 1.792e-13 4.319e-14 -12.747 -13.365 -0.618 (0) - (H2S)2 2.055e-17 2.234e-17 -16.687 -16.651 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.530 -70.493 0.036 30.40 +S(-2) 6.398e-08 + HS- 4.475e-08 2.946e-08 -7.349 -7.531 -0.182 21.14 + H2S 1.923e-08 2.090e-08 -7.716 -7.680 0.036 36.27 + S-2 1.819e-13 4.385e-14 -12.740 -13.358 -0.618 (0) + (H2S)2 2.118e-17 2.303e-17 -16.674 -16.638 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -192307,9 +191307,9 @@ S(6) 1.260e-02 Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -192320,21 +191320,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.56 -10.36 -2.80 CH4 + CH4(g) -7.55 -10.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.63 -7.94 H2S + H2S(g) -6.69 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.60 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.77 0.11 4.88 S + Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -192358,7 +191358,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.855e-11 Surface + diffuse layer charge, eq + -9.880e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -192368,7 +191368,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -192377,14 +191377,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 3.1766e-09 + Hto 3.1765e-09 I 2.8505e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2204e-09 + Nat 3.2202e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -192408,25 +191408,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.480e-09 6.456e-10 + Nat 5.480e-09 6.455e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.743e-09 + Electrical balance (eq) = -2.096e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -192440,33 +191440,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.135e-11 - CH4 4.135e-11 4.496e-11 -10.384 -10.347 0.036 35.46 +C(-4) 4.217e-11 + CH4 4.217e-11 4.585e-11 -10.375 -10.339 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.082e-11 - H2 1.041e-11 1.132e-11 -10.983 -10.946 0.036 28.61 +H(0) 2.092e-11 + H2 1.046e-11 1.137e-11 -10.980 -10.944 0.036 28.61 Hto 2.692e-08 Hto 2.692e-08 2.692e-08 -7.570 -7.570 0.000 (0) I 2.419e-08 @@ -192474,7 +191474,7 @@ I 2.419e-08 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -192486,16 +191486,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 5.480e-09 Nat+ 5.480e-09 5.480e-09 -8.261 -8.261 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.533 -70.496 0.036 30.40 -S(-2) 6.478e-08 - HS- 4.531e-08 2.983e-08 -7.344 -7.525 -0.182 21.14 - H2S 1.947e-08 2.117e-08 -7.711 -7.674 0.036 36.27 - S-2 1.842e-13 4.440e-14 -12.735 -13.353 -0.618 (0) - (H2S)2 2.171e-17 2.361e-17 -16.663 -16.627 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.537 -70.500 0.036 30.40 +S(-2) 6.607e-08 + HS- 4.622e-08 3.042e-08 -7.335 -7.517 -0.182 21.14 + H2S 1.985e-08 2.159e-08 -7.702 -7.666 0.036 36.27 + S-2 1.879e-13 4.528e-14 -12.726 -13.344 -0.618 (0) + (H2S)2 2.258e-17 2.455e-17 -16.646 -16.610 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -192505,12 +191504,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -192522,21 +191521,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.50 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -192560,7 +191559,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.839e-11 Surface + diffuse layer charge, eq + -9.867e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -192570,7 +191569,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -192579,14 +191578,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 1.0312e-09 - I 8.1229e-22 + Hto 1.0311e-09 + I 8.1219e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.9305e-10 + Nat 6.9298e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -192605,7 +191604,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.739e-09 1.030e-09 + Hto 8.739e-09 1.029e-09 I 6.893e-09 8.121e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -192617,18 +191616,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.740e-09 + Electrical balance (eq) = -2.093e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -192642,33 +191641,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.160e-11 - CH4 4.160e-11 4.523e-11 -10.381 -10.345 0.036 35.46 +C(-4) 4.253e-11 + CH4 4.253e-11 4.624e-11 -10.371 -10.335 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.085e-11 - H2 1.042e-11 1.133e-11 -10.982 -10.946 0.036 28.61 +H(0) 2.096e-11 + H2 1.048e-11 1.140e-11 -10.980 -10.943 0.036 28.61 Hto 8.739e-09 Hto 8.739e-09 8.739e-09 -8.059 -8.059 0.000 (0) I 6.893e-09 @@ -192676,7 +191675,7 @@ I 6.893e-09 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -192688,16 +191687,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.179e-09 Nat+ 1.179e-09 1.179e-09 -8.928 -8.928 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.534 -70.497 0.036 30.40 -S(-2) 6.517e-08 - HS- 4.559e-08 3.001e-08 -7.341 -7.523 -0.182 21.14 - H2S 1.959e-08 2.129e-08 -7.708 -7.672 0.036 36.27 - S-2 1.853e-13 4.467e-14 -12.732 -13.350 -0.618 (0) - (H2S)2 2.198e-17 2.389e-17 -16.658 -16.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.539 -70.502 0.036 30.40 +S(-2) 6.663e-08 + HS- 4.661e-08 3.068e-08 -7.332 -7.513 -0.182 21.14 + H2S 2.002e-08 2.177e-08 -7.698 -7.662 0.036 36.27 + S-2 1.895e-13 4.567e-14 -12.722 -13.340 -0.618 (0) + (H2S)2 2.297e-17 2.497e-17 -16.639 -16.603 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -192707,12 +191705,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -192724,21 +191722,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.61 -7.94 H2S + H2S(g) -6.67 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -192762,7 +191760,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.827e-11 Surface + diffuse layer charge, eq + -9.855e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -192772,7 +191770,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -192781,14 +191779,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 2.8943e-10 + Hto 2.8942e-10 I 1.9873e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2545e-10 + Nat 1.2543e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -192807,30 +191805,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.453e-09 2.890e-10 + Hto 2.453e-09 2.889e-10 I 1.687e-09 1.987e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.135e-10 2.515e-11 + Nat 2.134e-10 2.514e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.738e-09 + Electrical balance (eq) = -2.091e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -192844,33 +191842,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.151e-11 - CH4 4.151e-11 4.513e-11 -10.382 -10.346 0.036 35.46 +C(-4) 4.248e-11 + CH4 4.248e-11 4.618e-11 -10.372 -10.336 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.084e-11 - H2 1.042e-11 1.133e-11 -10.982 -10.946 0.036 28.61 +H(0) 2.096e-11 + H2 1.048e-11 1.139e-11 -10.980 -10.943 0.036 28.61 Hto 2.453e-09 Hto 2.453e-09 2.453e-09 -8.610 -8.610 0.000 (0) I 1.687e-09 @@ -192878,7 +191876,7 @@ I 1.687e-09 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -192890,16 +191888,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.135e-10 - Nat+ 2.135e-10 2.135e-10 -9.671 -9.671 -0.000 (0) +Nat 2.134e-10 + Nat+ 2.134e-10 2.134e-10 -9.671 -9.671 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.533 -70.497 0.036 30.40 -S(-2) 6.502e-08 - HS- 4.548e-08 2.994e-08 -7.342 -7.524 -0.182 21.14 - H2S 1.954e-08 2.124e-08 -7.709 -7.673 0.036 36.27 - S-2 1.849e-13 4.456e-14 -12.733 -13.351 -0.618 (0) - (H2S)2 2.187e-17 2.378e-17 -16.660 -16.624 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.538 -70.502 0.036 30.40 +S(-2) 6.654e-08 + HS- 4.655e-08 3.064e-08 -7.332 -7.514 -0.182 21.14 + H2S 2.000e-08 2.174e-08 -7.699 -7.663 0.036 36.27 + S-2 1.892e-13 4.561e-14 -12.723 -13.341 -0.618 (0) + (H2S)2 2.291e-17 2.491e-17 -16.640 -16.604 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -192909,12 +191906,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -192926,21 +191923,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.35 -2.80 CH4 + CH4(g) -7.53 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.61 -7.94 H2S + H2S(g) -6.67 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.50 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -192964,7 +191961,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.815e-11 Surface + diffuse layer charge, eq + -9.843e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -192974,7 +191971,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -192983,14 +191980,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 7.0904e-11 - I 4.2206e-23 + Hto 7.0899e-11 + I 4.2212e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9424e-11 + Nat 1.9421e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -193009,30 +192006,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.009e-10 7.079e-11 + Hto 6.008e-10 7.078e-11 I 3.583e-10 4.221e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.305e-11 3.894e-12 + Nat 3.305e-11 3.893e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.221e-09 + Electrical balance (eq) = -1.576e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -193046,41 +192043,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.129e-11 - CH4 4.129e-11 4.489e-11 -10.384 -10.348 0.036 35.46 +C(-4) 4.227e-11 + CH4 4.227e-11 4.596e-11 -10.374 -10.338 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.081e-11 - H2 1.040e-11 1.131e-11 -10.983 -10.946 0.036 28.61 -Hto 6.009e-10 - Hto 6.009e-10 6.009e-10 -9.221 -9.221 0.000 (0) +H(0) 2.093e-11 + H2 1.047e-11 1.138e-11 -10.980 -10.944 0.036 28.61 +Hto 6.008e-10 + Hto 6.008e-10 6.008e-10 -9.221 -9.221 0.000 (0) I 3.583e-10 I- 3.583e-10 3.583e-10 -9.446 -9.446 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -193092,16 +192089,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 3.305e-11 Nat+ 3.305e-11 3.305e-11 -10.481 -10.481 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.532 -70.496 0.036 30.40 -S(-2) 6.468e-08 - HS- 4.524e-08 2.978e-08 -7.344 -7.526 -0.182 21.14 - H2S 1.944e-08 2.113e-08 -7.711 -7.675 0.036 36.27 - S-2 1.839e-13 4.433e-14 -12.735 -13.353 -0.618 (0) - (H2S)2 2.165e-17 2.353e-17 -16.665 -16.628 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.537 -70.501 0.036 30.40 +S(-2) 6.622e-08 + HS- 4.632e-08 3.049e-08 -7.334 -7.516 -0.182 21.14 + H2S 1.990e-08 2.164e-08 -7.701 -7.665 0.036 36.27 + S-2 1.883e-13 4.539e-14 -12.725 -13.343 -0.618 (0) + (H2S)2 2.269e-17 2.467e-17 -16.644 -16.608 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -193111,12 +192107,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -193128,21 +192124,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.50 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -193166,7 +192162,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.807e-11 Surface + diffuse layer charge, eq + -9.835e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -193176,7 +192172,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -193185,14 +192181,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 1.5285e-11 - I 7.8550e-24 + Hto 1.5284e-11 + I 7.8566e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6070e-12 + Nat 2.6065e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -193216,25 +192212,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.436e-12 5.226e-13 + Nat 4.435e-12 5.225e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.171e-09 + Electrical balance (eq) = -1.524e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -193248,33 +192244,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.110e-11 - CH4 4.110e-11 4.468e-11 -10.386 -10.350 0.036 35.46 +C(-4) 4.209e-11 + CH4 4.209e-11 4.576e-11 -10.376 -10.340 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.078e-11 - H2 1.039e-11 1.130e-11 -10.983 -10.947 0.036 28.61 +H(0) 2.091e-11 + H2 1.045e-11 1.137e-11 -10.981 -10.944 0.036 28.61 Hto 1.295e-10 Hto 1.295e-10 1.295e-10 -9.888 -9.888 0.000 (0) I 6.669e-11 @@ -193294,16 +192290,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.436e-12 - Nat+ 4.436e-12 4.436e-12 -11.353 -11.353 -0.000 (0) +Nat 4.435e-12 + Nat+ 4.435e-12 4.435e-12 -11.353 -11.353 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.531 -70.495 0.036 30.40 -S(-2) 6.439e-08 - HS- 4.504e-08 2.965e-08 -7.346 -7.528 -0.182 21.14 - H2S 1.935e-08 2.104e-08 -7.713 -7.677 0.036 36.27 - S-2 1.831e-13 4.413e-14 -12.737 -13.355 -0.618 (0) - (H2S)2 2.145e-17 2.332e-17 -16.669 -16.632 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.536 -70.500 0.036 30.40 +S(-2) 6.593e-08 + HS- 4.612e-08 3.036e-08 -7.336 -7.518 -0.182 21.14 + H2S 1.981e-08 2.154e-08 -7.703 -7.667 0.036 36.27 + S-2 1.875e-13 4.519e-14 -12.727 -13.345 -0.618 (0) + (H2S)2 2.249e-17 2.445e-17 -16.648 -16.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -193312,13 +192307,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -193330,21 +192325,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -193368,7 +192363,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.802e-11 Surface + diffuse layer charge, eq + -9.830e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -193378,7 +192373,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -193387,14 +192382,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 2.9200e-12 - I 1.2919e-24 + Hto 2.9196e-12 + I 1.2917e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0653e-13 + Nat 3.0647e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -193413,30 +192408,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.475e-11 2.915e-12 + Hto 2.474e-11 2.915e-12 I 1.096e-11 1.292e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.216e-13 6.145e-14 + Nat 5.215e-13 6.144e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.626e-09 + Electrical balance (eq) = -1.979e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -193450,35 +192445,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.102e-11 - CH4 4.102e-11 4.460e-11 -10.387 -10.351 0.036 35.46 +C(-4) 4.201e-11 + CH4 4.201e-11 4.567e-11 -10.377 -10.340 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.077e-11 - H2 1.039e-11 1.129e-11 -10.983 -10.947 0.036 28.61 -Hto 2.475e-11 - Hto 2.475e-11 2.475e-11 -10.607 -10.607 0.000 (0) +H(0) 2.090e-11 + H2 1.045e-11 1.136e-11 -10.981 -10.945 0.036 28.61 +Hto 2.474e-11 + Hto 2.474e-11 2.474e-11 -10.607 -10.607 0.000 (0) I 1.096e-11 I- 1.096e-11 1.096e-11 -10.960 -10.960 -0.000 (0) K 1.540e-03 @@ -193496,16 +192491,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.216e-13 - Nat+ 5.216e-13 5.216e-13 -12.283 -12.283 -0.000 (0) +Nat 5.215e-13 + Nat+ 5.215e-13 5.215e-13 -12.283 -12.283 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.531 -70.494 0.036 30.40 -S(-2) 6.426e-08 - HS- 4.495e-08 2.959e-08 -7.347 -7.529 -0.182 21.14 - H2S 1.931e-08 2.100e-08 -7.714 -7.678 0.036 36.27 - S-2 1.827e-13 4.404e-14 -12.738 -13.356 -0.618 (0) - (H2S)2 2.137e-17 2.323e-17 -16.670 -16.634 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.536 -70.500 0.036 30.40 +S(-2) 6.581e-08 + HS- 4.603e-08 3.030e-08 -7.337 -7.519 -0.182 21.14 + H2S 1.978e-08 2.150e-08 -7.704 -7.668 0.036 36.27 + S-2 1.871e-13 4.510e-14 -12.728 -13.346 -0.618 (0) + (H2S)2 2.241e-17 2.436e-17 -16.650 -16.613 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -193514,14 +192508,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.089e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -193532,21 +192526,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -193570,7 +192564,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.802e-11 Surface + diffuse layer charge, eq + -9.830e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -193580,7 +192574,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -193589,14 +192583,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 4.9730e-13 + Hto 4.9724e-13 I 1.8882e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.1845e-14 + Nat 3.1838e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -193615,30 +192609,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.214e-12 4.965e-13 + Hto 4.214e-12 4.964e-13 I 1.603e-12 1.888e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.419e-14 6.384e-15 + Nat 5.418e-14 6.382e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.641e-09 + Electrical balance (eq) = -1.993e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -193652,33 +192646,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.107e-11 - CH4 4.107e-11 4.466e-11 -10.386 -10.350 0.036 35.46 +C(-4) 4.206e-11 + CH4 4.206e-11 4.573e-11 -10.376 -10.340 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.078e-11 - H2 1.039e-11 1.130e-11 -10.983 -10.947 0.036 28.61 +H(0) 2.091e-11 + H2 1.045e-11 1.136e-11 -10.981 -10.944 0.036 28.61 Hto 4.214e-12 Hto 4.214e-12 4.214e-12 -11.375 -11.375 0.000 (0) I 1.603e-12 @@ -193698,16 +192692,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.419e-14 - Nat+ 5.419e-14 5.419e-14 -13.266 -13.266 -0.000 (0) +Nat 5.418e-14 + Nat+ 5.418e-14 5.418e-14 -13.266 -13.266 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.531 -70.495 0.036 30.40 -S(-2) 6.435e-08 - HS- 4.501e-08 2.963e-08 -7.347 -7.528 -0.182 21.14 - H2S 1.934e-08 2.102e-08 -7.714 -7.677 0.036 36.27 - S-2 1.830e-13 4.410e-14 -12.738 -13.356 -0.618 (0) - (H2S)2 2.142e-17 2.329e-17 -16.669 -16.633 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.536 -70.500 0.036 30.40 +S(-2) 6.589e-08 + HS- 4.609e-08 3.034e-08 -7.336 -7.518 -0.182 21.14 + H2S 1.980e-08 2.153e-08 -7.703 -7.667 0.036 36.27 + S-2 1.874e-13 4.516e-14 -12.727 -13.345 -0.618 (0) + (H2S)2 2.246e-17 2.442e-17 -16.648 -16.612 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -193716,13 +192709,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -193734,21 +192727,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -193772,7 +192765,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.809e-11 Surface + diffuse layer charge, eq + -9.837e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -193782,7 +192775,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -193791,14 +192784,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 7.5894e-14 - I 2.4676e-26 + Hto 7.5883e-14 + I 2.4682e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9436e-15 + Nat 2.9428e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -193817,30 +192810,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.432e-13 7.577e-14 + Hto 6.431e-13 7.576e-14 I 2.095e-13 2.468e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.009e-15 5.901e-16 + Nat 5.008e-15 5.899e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.497e-10 + Electrical balance (eq) = -5.026e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -193854,41 +192847,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.126e-11 - CH4 4.126e-11 4.486e-11 -10.384 -10.348 0.036 35.46 +C(-4) 4.225e-11 + CH4 4.225e-11 4.594e-11 -10.374 -10.338 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.081e-11 - H2 1.040e-11 1.131e-11 -10.983 -10.947 0.036 28.61 -Hto 6.432e-13 - Hto 6.432e-13 6.432e-13 -12.192 -12.192 0.000 (0) +H(0) 2.093e-11 + H2 1.046e-11 1.138e-11 -10.980 -10.944 0.036 28.61 +Hto 6.431e-13 + Hto 6.431e-13 6.431e-13 -12.192 -12.192 0.000 (0) I 2.095e-13 I- 2.095e-13 2.095e-13 -12.679 -12.679 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -193900,16 +192893,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.009e-15 - Nat+ 5.009e-15 5.009e-15 -14.300 -14.300 -0.000 (0) +Nat 5.008e-15 + Nat+ 5.008e-15 5.008e-15 -14.300 -14.300 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.532 -70.496 0.036 30.40 -S(-2) 6.465e-08 - HS- 4.522e-08 2.977e-08 -7.345 -7.526 -0.182 21.14 - H2S 1.943e-08 2.112e-08 -7.712 -7.675 0.036 36.27 - S-2 1.838e-13 4.430e-14 -12.736 -13.354 -0.618 (0) - (H2S)2 2.162e-17 2.351e-17 -16.665 -16.629 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.537 -70.501 0.036 30.40 +S(-2) 6.619e-08 + HS- 4.630e-08 3.048e-08 -7.334 -7.516 -0.182 21.14 + H2S 1.989e-08 2.163e-08 -7.701 -7.665 0.036 36.27 + S-2 1.882e-13 4.537e-14 -12.725 -13.343 -0.618 (0) + (H2S)2 2.267e-17 2.465e-17 -16.645 -16.608 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -193919,12 +192911,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -193936,21 +192928,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 + CH4(g) -7.54 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.50 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -193974,7 +192966,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.817e-11 Surface + diffuse layer charge, eq + -9.845e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -193984,7 +192976,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -193993,14 +192985,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6589e-10 H 1.2950e-04 - Hto 1.0424e-14 - I 2.8979e-27 + Hto 1.0422e-14 + I 2.8975e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4348e-16 + Nat 2.4341e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -194019,30 +193011,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.834e-14 1.041e-14 + Hto 8.832e-14 1.041e-14 I 2.459e-14 2.897e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.143e-16 4.881e-17 + Nat 4.142e-16 4.880e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.736e-09 + Electrical balance (eq) = -2.089e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -194056,41 +193048,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.153e-11 - CH4 4.153e-11 4.515e-11 -10.382 -10.345 0.036 35.46 +C(-4) 4.252e-11 + CH4 4.252e-11 4.623e-11 -10.371 -10.335 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.084e-11 - H2 1.042e-11 1.133e-11 -10.982 -10.946 0.036 28.61 -Hto 8.834e-14 - Hto 8.834e-14 8.834e-14 -13.054 -13.054 0.000 (0) +H(0) 2.096e-11 + H2 1.048e-11 1.140e-11 -10.980 -10.943 0.036 28.61 +Hto 8.832e-14 + Hto 8.832e-14 8.832e-14 -13.054 -13.054 0.000 (0) I 2.459e-14 I- 2.459e-14 2.459e-14 -13.609 -13.609 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -194102,16 +193094,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.143e-16 - Nat+ 4.143e-16 4.143e-16 -15.383 -15.383 -0.000 (0) +Nat 4.142e-16 + Nat+ 4.142e-16 4.142e-16 -15.383 -15.383 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.533 -70.497 0.036 30.40 -S(-2) 6.506e-08 - HS- 4.551e-08 2.996e-08 -7.342 -7.523 -0.182 21.14 - H2S 1.955e-08 2.126e-08 -7.709 -7.673 0.036 36.27 - S-2 1.850e-13 4.459e-14 -12.733 -13.351 -0.618 (0) - (H2S)2 2.190e-17 2.381e-17 -16.660 -16.623 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.539 -70.502 0.036 30.40 +S(-2) 6.661e-08 + HS- 4.659e-08 3.067e-08 -7.332 -7.513 -0.182 21.14 + H2S 2.002e-08 2.176e-08 -7.699 -7.662 0.036 36.27 + S-2 1.894e-13 4.565e-14 -12.723 -13.341 -0.618 (0) + (H2S)2 2.295e-17 2.495e-17 -16.639 -16.603 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -194121,12 +193112,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -194138,21 +193129,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.35 -2.80 CH4 + CH4(g) -7.53 -10.34 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.61 -7.94 H2S + H2S(g) -6.67 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.50 -2.89 O2 + O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -194176,7 +193167,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.825e-11 Surface + diffuse layer charge, eq + -9.853e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -194186,7 +193177,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -194195,14 +193186,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 1.2931e-15 + Hto 1.2929e-15 I 3.0687e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.8106e-17 + Nat 1.8100e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -194226,25 +193217,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.081e-17 3.630e-18 + Nat 3.080e-17 3.629e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.194 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.738e-09 + Electrical balance (eq) = -2.091e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -194258,33 +193249,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.174e-11 - CH4 4.174e-11 4.538e-11 -10.379 -10.343 0.036 35.46 +C(-4) 4.273e-11 + CH4 4.273e-11 4.646e-11 -10.369 -10.333 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.087e-11 - H2 1.043e-11 1.134e-11 -10.982 -10.945 0.036 28.61 +H(0) 2.099e-11 + H2 1.049e-11 1.141e-11 -10.979 -10.943 0.036 28.61 Hto 1.096e-14 Hto 1.096e-14 1.096e-14 -13.960 -13.960 0.000 (0) I 2.604e-15 @@ -194292,7 +193283,7 @@ I 2.604e-15 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -194304,16 +193295,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.081e-17 - Nat+ 3.081e-17 3.081e-17 -16.511 -16.511 -0.000 (0) +Nat 3.080e-17 + Nat+ 3.080e-17 3.080e-17 -16.511 -16.511 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.535 -70.498 0.036 30.40 -S(-2) 6.539e-08 - HS- 4.574e-08 3.011e-08 -7.340 -7.521 -0.182 21.14 - H2S 1.965e-08 2.137e-08 -7.707 -7.670 0.036 36.27 - S-2 1.859e-13 4.482e-14 -12.731 -13.349 -0.618 (0) - (H2S)2 2.213e-17 2.406e-17 -16.655 -16.619 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.540 -70.503 0.036 30.40 +S(-2) 6.694e-08 + HS- 4.682e-08 3.082e-08 -7.330 -7.511 -0.182 21.14 + H2S 2.012e-08 2.187e-08 -7.696 -7.660 0.036 36.27 + S-2 1.903e-13 4.588e-14 -12.720 -13.338 -0.618 (0) + (H2S)2 2.318e-17 2.520e-17 -16.635 -16.599 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -194323,12 +193313,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -194340,21 +193330,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.61 -7.94 H2S + H2S(g) -6.67 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -194378,7 +193368,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.828e-11 Surface + diffuse layer charge, eq + -9.856e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -194388,7 +193378,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -194397,14 +193387,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 1.4535e-16 - I 2.9410e-29 + Hto 1.4532e-16 + I 2.9404e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2152e-18 + Nat 1.2148e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -194428,25 +193418,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.068e-18 2.436e-19 + Nat 2.067e-18 2.435e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.092e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -194460,41 +193450,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.186e-11 - CH4 4.186e-11 4.551e-11 -10.378 -10.342 0.036 35.46 +C(-4) 4.284e-11 + CH4 4.284e-11 4.658e-11 -10.368 -10.332 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.088e-11 - H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 +H(0) 2.100e-11 + H2 1.050e-11 1.142e-11 -10.979 -10.942 0.036 28.61 Hto 1.232e-15 - Hto 1.232e-15 1.232e-15 -14.909 -14.909 0.000 (0) + Hto 1.232e-15 1.232e-15 -14.910 -14.910 0.000 (0) I 2.496e-16 I- 2.496e-16 2.496e-16 -15.603 -15.603 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -194506,16 +193496,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.068e-18 - Nat+ 2.068e-18 2.068e-18 -17.684 -17.684 -0.000 (0) +Nat 2.067e-18 + Nat+ 2.067e-18 2.067e-18 -17.685 -17.685 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 -S(-2) 6.557e-08 - HS- 4.587e-08 3.019e-08 -7.339 -7.520 -0.182 21.14 - H2S 1.970e-08 2.142e-08 -7.705 -7.669 0.036 36.27 - S-2 1.864e-13 4.494e-14 -12.729 -13.347 -0.618 (0) - (H2S)2 2.225e-17 2.419e-17 -16.653 -16.616 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.540 -70.504 0.036 30.40 +S(-2) 6.712e-08 + HS- 4.695e-08 3.091e-08 -7.328 -7.510 -0.182 21.14 + H2S 2.017e-08 2.193e-08 -7.695 -7.659 0.036 36.27 + S-2 1.908e-13 4.600e-14 -12.719 -13.337 -0.618 (0) + (H2S)2 2.331e-17 2.534e-17 -16.633 -16.596 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -194525,12 +193514,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -194542,21 +193531,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.13 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -194580,7 +193569,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.829e-11 Surface + diffuse layer charge, eq + -9.857e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -194590,7 +193579,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -194599,14 +193588,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 1.4840e-17 - I 2.5565e-30 + Hto 1.4837e-17 + I 2.5569e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.3849e-20 + Nat 7.3822e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -194625,30 +193614,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.258e-16 1.482e-17 + Hto 1.257e-16 1.481e-17 I 2.170e-17 2.557e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.257e-19 1.480e-20 + Nat 1.256e-19 1.480e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.092e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -194662,41 +193651,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.190e-11 - CH4 4.190e-11 4.555e-11 -10.378 -10.341 0.036 35.46 +C(-4) 4.289e-11 + CH4 4.289e-11 4.663e-11 -10.368 -10.331 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.089e-11 - H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 -Hto 1.258e-16 - Hto 1.258e-16 1.258e-16 -15.900 -15.900 0.000 (0) +H(0) 2.101e-11 + H2 1.050e-11 1.142e-11 -10.979 -10.942 0.036 28.61 +Hto 1.257e-16 + Hto 1.257e-16 1.257e-16 -15.901 -15.901 0.000 (0) I 2.170e-17 I- 2.170e-17 2.170e-17 -16.664 -16.664 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -194708,16 +193697,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.257e-19 - Nat+ 1.257e-19 1.257e-19 -18.901 -18.901 -0.000 (0) +Nat 1.256e-19 + Nat+ 1.256e-19 1.256e-19 -18.901 -18.901 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 -S(-2) 6.564e-08 - HS- 4.591e-08 3.023e-08 -7.338 -7.520 -0.182 21.14 - H2S 1.973e-08 2.145e-08 -7.705 -7.669 0.036 36.27 - S-2 1.866e-13 4.499e-14 -12.729 -13.347 -0.618 (0) - (H2S)2 2.229e-17 2.424e-17 -16.652 -16.616 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.540 -70.504 0.036 30.40 +S(-2) 6.719e-08 + HS- 4.700e-08 3.094e-08 -7.328 -7.510 -0.182 21.14 + H2S 2.019e-08 2.195e-08 -7.695 -7.659 0.036 36.27 + S-2 1.910e-13 4.605e-14 -12.719 -13.337 -0.618 (0) + (H2S)2 2.335e-17 2.539e-17 -16.632 -16.595 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -194727,12 +193715,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -194744,21 +193732,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.13 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -194782,7 +193770,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.829e-11 Surface + diffuse layer charge, eq + -9.857e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -194792,7 +193780,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -194801,14 +193789,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 1.3791e-18 - I 2.0220e-31 + Hto 1.3787e-18 + I 2.0217e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.0736e-21 + Nat 4.0719e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -194827,30 +193815,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.169e-17 1.377e-18 + Hto 1.168e-17 1.377e-18 I 1.716e-18 2.022e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.932e-21 8.166e-22 + Nat 6.929e-21 8.163e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.092e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -194864,41 +193852,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.191e-11 - CH4 4.191e-11 4.557e-11 -10.378 -10.341 0.036 35.46 +C(-4) 4.290e-11 + CH4 4.290e-11 4.664e-11 -10.368 -10.331 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.089e-11 - H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 -Hto 1.169e-17 - Hto 1.169e-17 1.169e-17 -16.932 -16.932 0.000 (0) +H(0) 2.101e-11 + H2 1.050e-11 1.142e-11 -10.979 -10.942 0.036 28.61 +Hto 1.168e-17 + Hto 1.168e-17 1.168e-17 -16.932 -16.932 0.000 (0) I 1.716e-18 I- 1.716e-18 1.716e-18 -17.765 -17.765 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -194910,16 +193898,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.932e-21 - Nat+ 6.932e-21 6.932e-21 -20.159 -20.159 -0.000 (0) +Nat 6.929e-21 + Nat+ 6.929e-21 6.929e-21 -20.159 -20.159 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 -S(-2) 6.566e-08 - HS- 4.593e-08 3.023e-08 -7.338 -7.519 -0.182 21.14 - H2S 1.973e-08 2.145e-08 -7.705 -7.669 0.036 36.27 - S-2 1.867e-13 4.500e-14 -12.729 -13.347 -0.618 (0) - (H2S)2 2.230e-17 2.425e-17 -16.652 -16.615 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.540 -70.504 0.036 30.40 +S(-2) 6.720e-08 + HS- 4.701e-08 3.095e-08 -7.328 -7.509 -0.182 21.14 + H2S 2.020e-08 2.196e-08 -7.695 -7.658 0.036 36.27 + S-2 1.911e-13 4.606e-14 -12.719 -13.337 -0.618 (0) + (H2S)2 2.337e-17 2.540e-17 -16.631 -16.595 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -194929,12 +193916,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -194946,21 +193933,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.13 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -194984,7 +193971,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.829e-11 Surface + diffuse layer charge, eq + -9.857e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -194994,7 +193981,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -195003,14 +193990,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 1.1684e-19 - I 1.4562e-32 + Hto 1.1681e-19 + I 1.4568e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0426e-22 + Nat 2.0417e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -195029,30 +194016,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.902e-19 1.167e-19 + Hto 9.899e-19 1.166e-19 I 1.236e-19 1.456e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.476e-22 4.095e-23 + Nat 3.474e-22 4.093e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.092e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -195066,41 +194053,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.191e-11 - CH4 4.191e-11 4.557e-11 -10.378 -10.341 0.036 35.46 +C(-4) 4.290e-11 + CH4 4.290e-11 4.664e-11 -10.368 -10.331 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.089e-11 - H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 -Hto 9.902e-19 - Hto 9.902e-19 9.902e-19 -18.004 -18.004 0.000 (0) +H(0) 2.101e-11 + H2 1.050e-11 1.142e-11 -10.979 -10.942 0.036 28.61 +Hto 9.899e-19 + Hto 9.899e-19 9.899e-19 -18.004 -18.004 0.000 (0) I 1.236e-19 I- 1.236e-19 1.236e-19 -18.908 -18.908 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -195112,16 +194099,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.476e-22 - Nat+ 3.476e-22 3.476e-22 -21.459 -21.459 -0.000 (0) +Nat 3.474e-22 + Nat+ 3.474e-22 3.474e-22 -21.459 -21.459 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 -S(-2) 6.566e-08 - HS- 4.593e-08 3.024e-08 -7.338 -7.519 -0.182 21.14 - H2S 1.973e-08 2.145e-08 -7.705 -7.668 0.036 36.27 - S-2 1.867e-13 4.500e-14 -12.729 -13.347 -0.618 (0) - (H2S)2 2.231e-17 2.425e-17 -16.652 -16.615 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 +S(-2) 6.721e-08 + HS- 4.701e-08 3.095e-08 -7.328 -7.509 -0.182 21.14 + H2S 2.020e-08 2.196e-08 -7.695 -7.658 0.036 36.27 + S-2 1.911e-13 4.607e-14 -12.719 -13.337 -0.618 (0) + (H2S)2 2.337e-17 2.541e-17 -16.631 -16.595 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -195131,12 +194117,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -195148,21 +194134,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.13 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -195186,7 +194172,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.829e-11 Surface + diffuse layer charge, eq + -9.857e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -195196,7 +194182,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -195205,14 +194191,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 9.0386e-21 - I 9.5695e-34 + Hto 9.0362e-21 + I 9.5732e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1369e-24 + Nat 9.1328e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -195231,30 +194217,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.660e-20 9.024e-21 + Hto 7.658e-20 9.022e-21 I 8.124e-21 9.570e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.555e-23 1.832e-24 + Nat 1.554e-23 1.831e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.092e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -195268,41 +194254,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.191e-11 - CH4 4.191e-11 4.557e-11 -10.378 -10.341 0.036 35.46 +C(-4) 4.290e-11 + CH4 4.290e-11 4.664e-11 -10.368 -10.331 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.089e-11 - H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 -Hto 7.660e-20 - Hto 7.660e-20 7.660e-20 -19.116 -19.116 0.000 (0) +H(0) 2.101e-11 + H2 1.050e-11 1.142e-11 -10.979 -10.942 0.036 28.61 +Hto 7.658e-20 + Hto 7.658e-20 7.658e-20 -19.116 -19.116 0.000 (0) I 8.124e-21 I- 8.124e-21 8.124e-21 -20.090 -20.090 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -195314,16 +194300,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.555e-23 - Nat+ 1.555e-23 1.555e-23 -22.808 -22.808 -0.000 (0) +Nat 1.554e-23 + Nat+ 1.554e-23 1.554e-23 -22.809 -22.809 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 -S(-2) 6.566e-08 - HS- 4.593e-08 3.024e-08 -7.338 -7.519 -0.182 21.14 - H2S 1.973e-08 2.145e-08 -7.705 -7.668 0.036 36.27 - S-2 1.867e-13 4.500e-14 -12.729 -13.347 -0.618 (0) - (H2S)2 2.231e-17 2.425e-17 -16.652 -16.615 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 +S(-2) 6.721e-08 + HS- 4.701e-08 3.095e-08 -7.328 -7.509 -0.182 21.14 + H2S 2.020e-08 2.196e-08 -7.695 -7.658 0.036 36.27 + S-2 1.911e-13 4.607e-14 -12.719 -13.337 -0.618 (0) + (H2S)2 2.337e-17 2.541e-17 -16.631 -16.595 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -195333,12 +194318,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -195350,21 +194335,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.13 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -195388,7 +194373,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.829e-11 Surface + diffuse layer charge, eq + -9.857e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -195398,7 +194383,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -195407,14 +194392,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6590e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 6.7966e-22 + Hto 6.7946e-22 I 6.0491e-35 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1094e-25 + Nat 2.1083e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -195433,30 +194418,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.760e-21 6.786e-22 + Hto 5.758e-21 6.784e-22 I 5.134e-22 6.049e-23 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.589e-25 4.229e-26 + Nat 3.588e-25 4.227e-26 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.092e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -195470,41 +194455,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.192e-11 - CH4 4.192e-11 4.557e-11 -10.378 -10.341 0.036 35.46 +C(-4) 4.290e-11 + CH4 4.290e-11 4.664e-11 -10.368 -10.331 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.089e-11 - H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 -Hto 5.760e-21 - Hto 5.760e-21 5.760e-21 -20.240 -20.240 0.000 (0) +H(0) 2.101e-11 + H2 1.050e-11 1.142e-11 -10.979 -10.942 0.036 28.61 +Hto 5.758e-21 + Hto 5.758e-21 5.758e-21 -20.240 -20.240 0.000 (0) I 5.134e-22 I- 5.134e-22 5.134e-22 -21.290 -21.290 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -195516,16 +194501,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.589e-25 - Nat+ 3.589e-25 3.589e-25 -24.445 -24.445 -0.000 (0) +Nat 3.588e-25 + Nat+ 3.588e-25 3.588e-25 -24.445 -24.445 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 -S(-2) 6.566e-08 - HS- 4.593e-08 3.024e-08 -7.338 -7.519 -0.182 21.14 - H2S 1.973e-08 2.145e-08 -7.705 -7.668 0.036 36.27 - S-2 1.867e-13 4.500e-14 -12.729 -13.347 -0.618 (0) - (H2S)2 2.231e-17 2.425e-17 -16.652 -16.615 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 +S(-2) 6.721e-08 + HS- 4.701e-08 3.095e-08 -7.328 -7.509 -0.182 21.14 + H2S 2.020e-08 2.196e-08 -7.695 -7.658 0.036 36.27 + S-2 1.911e-13 4.607e-14 -12.719 -13.337 -0.618 (0) + (H2S)2 2.337e-17 2.541e-17 -16.631 -16.595 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -195535,12 +194519,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -195552,21 +194536,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.13 4.88 S + Sulfur -4.75 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -195596,18 +194580,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -195621,8 +194605,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -195646,8 +194630,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -195667,16 +194651,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -195703,21 +194686,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -195745,18 +194728,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -195770,8 +194753,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -195795,8 +194778,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -195816,16 +194799,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -195852,21 +194834,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -195903,18 +194885,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.057 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.056 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.024e-12 + Electrical balance (eq) = -9.840e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -195928,8 +194910,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.462e-12 - CH4 3.462e-12 3.764e-12 -11.461 -11.424 0.036 35.46 +C(-4) 3.381e-12 + CH4 3.381e-12 3.676e-12 -11.471 -11.435 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -195953,8 +194935,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.119e-11 - H2 5.597e-12 6.085e-12 -11.252 -11.216 0.036 28.61 +H(0) 1.113e-11 + H2 5.564e-12 6.049e-12 -11.255 -11.218 0.036 28.61 Hto 5.164e-07 Hto 5.164e-07 5.164e-07 -6.287 -6.287 0.000 (0) I 6.988e-07 @@ -195974,16 +194956,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.863e-07 Nat+ 2.863e-07 2.863e-07 -6.543 -6.543 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.994 -69.957 0.036 30.40 -S(-2) 5.427e-09 - HS- 3.794e-09 2.498e-09 -8.421 -8.602 -0.182 21.14 - H2S 1.633e-09 1.775e-09 -8.787 -8.751 0.036 36.27 - S-2 1.540e-14 3.712e-15 -13.812 -14.430 -0.618 (0) - (H2S)2 1.527e-19 1.660e-19 -18.816 -18.780 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.988 -69.952 0.036 30.40 +S(-2) 5.300e-09 + HS- 3.705e-09 2.439e-09 -8.431 -8.613 -0.182 21.14 + H2S 1.594e-09 1.733e-09 -8.797 -8.761 0.036 36.27 + S-2 1.504e-14 3.625e-15 -13.823 -14.441 -0.618 (0) + (H2S)2 1.456e-19 1.583e-19 -18.837 -18.800 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -196010,19 +194991,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.62 -11.42 -2.80 CH4 + CH4(g) -8.63 -11.43 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.11 -11.22 -3.10 H2 + H2(g) -8.12 -11.22 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.76 -15.69 -7.94 H2S + H2S(g) -7.77 -15.70 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.06 -69.96 -2.89 O2 + O2(g) -67.06 -69.95 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.57 -0.69 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -196048,7 +195029,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -4.835e-14 Surface + diffuse layer charge, eq + -5.079e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -196058,7 +195039,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -196105,18 +195086,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.109 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.108 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.945e-09 + Electrical balance (eq) = 1.678e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -196130,11 +195111,11 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 8.947e-12 - CH4 8.947e-12 9.728e-12 -11.048 -11.012 0.036 35.46 +C(-4) 8.890e-12 + CH4 8.890e-12 9.665e-12 -11.051 -11.015 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -196151,12 +195132,12 @@ Ca 2.590e-02 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.009e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.419e-11 - H2 7.097e-12 7.716e-12 -11.149 -11.113 0.036 28.61 +H(0) 1.417e-11 + H2 7.085e-12 7.703e-12 -11.150 -11.113 0.036 28.61 Hto 4.540e-07 Hto 4.540e-07 4.540e-07 -6.343 -6.343 0.000 (0) I 6.150e-07 @@ -196176,16 +195157,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.593e-07 Nat+ 2.593e-07 2.593e-07 -6.586 -6.586 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.200 -70.164 0.036 30.40 -S(-2) 1.402e-08 - HS- 9.806e-09 6.456e-09 -8.008 -8.190 -0.182 21.14 - H2S 4.218e-09 4.586e-09 -8.375 -8.339 0.036 36.27 - S-2 3.981e-14 9.596e-15 -13.400 -14.018 -0.618 (0) - (H2S)2 1.019e-18 1.108e-18 -17.992 -17.955 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.198 -70.162 0.036 30.40 +S(-2) 1.393e-08 + HS- 9.743e-09 6.414e-09 -8.011 -8.193 -0.182 21.14 + H2S 4.191e-09 4.557e-09 -8.378 -8.341 0.036 36.27 + S-2 3.955e-14 9.534e-15 -13.403 -14.021 -0.618 (0) + (H2S)2 1.006e-18 1.094e-18 -17.997 -17.961 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -196195,13 +195175,13 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.309e-08 9.563e-09 -7.883 -8.019 -0.136 40.78 - CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) + CaHSO4+ 1.066e-09 7.794e-10 -8.972 -9.108 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 - SrOH+ 1.153e-10 8.080e-11 -9.938 -10.093 -0.154 (0) + SrOH+ 1.153e-10 8.079e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -196219,7 +195199,7 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.34 -15.28 -7.94 H2S + H2S(g) -7.35 -15.28 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -196260,7 +195240,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -196276,7 +195256,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.9148e-08 + Nat 8.9147e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -196308,18 +195288,18 @@ Su pH = 7.091 Charge balance pe = -3.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.123e-10 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.475e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -196332,8 +195312,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.896e-11 - CH4 2.896e-11 3.149e-11 -10.538 -10.502 0.036 35.46 +C(-4) 2.902e-11 + CH4 2.902e-11 3.155e-11 -10.537 -10.501 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -196357,8 +195337,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.639e-09 -8.403 -8.249 0.155 (0) -H(0) 1.904e-11 - H2 9.521e-12 1.035e-11 -11.021 -10.985 0.036 28.61 +H(0) 1.905e-11 + H2 9.526e-12 1.036e-11 -11.021 -10.985 0.036 28.61 Hto 2.961e-07 Hto 2.961e-07 2.961e-07 -6.529 -6.529 0.000 (0) I 3.703e-07 @@ -196378,16 +195358,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.517e-07 Nat+ 1.517e-07 1.517e-07 -6.819 -6.819 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.455 -70.419 0.036 30.40 -S(-2) 4.538e-08 - HS- 3.174e-08 2.089e-08 -7.498 -7.680 -0.182 21.14 - H2S 1.364e-08 1.483e-08 -7.865 -7.829 0.036 36.27 - S-2 1.289e-13 3.108e-14 -12.890 -13.508 -0.618 (0) - (H2S)2 1.066e-17 1.159e-17 -16.972 -16.936 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.456 -70.419 0.036 30.40 +S(-2) 4.548e-08 + HS- 3.180e-08 2.094e-08 -7.498 -7.679 -0.182 21.14 + H2S 1.367e-08 1.486e-08 -7.864 -7.828 0.036 36.27 + S-2 1.292e-13 3.115e-14 -12.889 -13.507 -0.618 (0) + (H2S)2 1.071e-17 1.164e-17 -16.970 -16.934 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -196419,7 +195398,7 @@ Sr 5.000e-04 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.88 -10.99 -3.10 H2 + H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O H2S(g) -6.83 -14.77 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl @@ -196452,7 +195431,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.840e-11 Surface + diffuse layer charge, eq + -9.844e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -196462,7 +195441,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -196478,7 +195457,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8495e-08 + Nat 3.8494e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -196509,18 +195488,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.187 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.188 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.838e-09 + Electrical balance (eq) = -2.189e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -196534,8 +195513,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.768e-11 - CH4 3.768e-11 4.097e-11 -10.424 -10.388 0.036 35.46 +C(-4) 3.800e-11 + CH4 3.800e-11 4.131e-11 -10.420 -10.384 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -196544,8 +195523,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.613e-07 -5.471 -6.065 -0.594 -1.53 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -196559,8 +195538,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.034e-11 - H2 1.017e-11 1.106e-11 -10.993 -10.956 0.036 28.61 +H(0) 2.038e-11 + H2 1.019e-11 1.108e-11 -10.992 -10.955 0.036 28.61 Hto 1.608e-07 Hto 1.608e-07 1.608e-07 -6.794 -6.794 0.000 (0) I 1.828e-07 @@ -196574,22 +195553,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.949e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 6.550e-08 Nat+ 6.550e-08 6.550e-08 -7.184 -7.184 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.512 -70.476 0.036 30.40 -S(-2) 5.903e-08 - HS- 4.129e-08 2.718e-08 -7.384 -7.566 -0.182 21.14 - H2S 1.774e-08 1.929e-08 -7.751 -7.715 0.036 36.27 - S-2 1.678e-13 4.045e-14 -12.775 -13.393 -0.618 (0) - (H2S)2 1.803e-17 1.961e-17 -16.744 -16.708 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.514 -70.478 0.036 30.40 +S(-2) 5.953e-08 + HS- 4.164e-08 2.741e-08 -7.381 -7.562 -0.182 21.14 + H2S 1.789e-08 1.945e-08 -7.747 -7.711 0.036 36.27 + S-2 1.692e-13 4.079e-14 -12.772 -13.389 -0.618 (0) + (H2S)2 1.834e-17 1.994e-17 -16.737 -16.700 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -196598,7 +195576,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.553e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.552e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.785e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -196616,19 +195594,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.59 -10.39 -2.80 CH4 + CH4(g) -7.58 -10.38 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.86 -10.96 -3.10 H2 + H2(g) -7.85 -10.96 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.72 -14.66 -7.94 H2S + H2S(g) -6.72 -14.65 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.58 -70.48 -2.89 O2 + O2(g) -67.59 -70.48 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.79 0.09 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -196654,7 +195632,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.893e-11 Surface + diffuse layer charge, eq + -9.909e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -196664,7 +195642,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -196673,10 +195651,10 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6590e-10 H 1.2950e-04 - Hto 8.6430e-09 - I 8.7995e-21 + Hto 8.6428e-09 + I 8.8012e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -196699,7 +195677,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.325e-08 8.629e-09 + Hto 7.324e-08 8.629e-09 I 7.470e-08 8.801e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -196711,220 +195689,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 - Density (g/cm³) = 1.01108 - Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 - Activity of water = 0.990 - Ionic strength (mol/kgw) = 3.632e-01 - Mass of water (kg) = 1.178e-01 - Total alkalinity (eq/kg) = 2.501e-03 - Total CO2 (mol/kg) = 2.744e-03 - Temperature (°C) = 25.00 - Electrical balance (eq) = -1.846e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (14 overall) - Total H = 1.307863e+01 - Total O = 6.546049e+00 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 - H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.115e-11 - CH4 4.115e-11 4.474e-11 -10.386 -10.349 0.036 35.46 -C(4) 2.744e-03 - HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 -Ca 2.590e-02 - Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) -Cl 3.000e-01 - Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.079e-11 - H2 1.040e-11 1.130e-11 -10.983 -10.947 0.036 28.61 -Hto 7.325e-08 - Hto 7.325e-08 7.325e-08 -7.135 -7.135 0.000 (0) -I 7.470e-08 - I- 7.470e-08 7.470e-08 -7.127 -7.127 -0.000 (0) -K 1.540e-03 - K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 -Mg 1.720e-02 - Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) -Na 2.390e-01 - Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.185e-08 - Nat+ 2.185e-08 2.185e-08 -7.660 -7.660 -0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.531 -70.495 0.036 30.40 -S(-2) 6.447e-08 - HS- 4.509e-08 2.969e-08 -7.346 -7.527 -0.182 21.14 - H2S 1.937e-08 2.106e-08 -7.713 -7.676 0.036 36.27 - S-2 1.833e-13 4.418e-14 -12.737 -13.355 -0.618 (0) - (H2S)2 2.150e-17 2.338e-17 -16.668 -16.631 0.036 30.09 -S(6) 1.260e-02 - SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 - NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 - CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) -Sr 5.000e-04 - Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 - SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - Anhydrite -0.81 -5.09 -4.28 CaSO4 - Aragonite 0.10 -8.23 -8.34 CaCO3 - Arcanite -7.03 -8.91 -1.88 K2SO4 - Calcite 0.25 -8.23 -8.48 CaCO3 - Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.55 -10.35 -2.80 CH4 - CO2(g) -2.09 -3.56 -1.47 CO2 - Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 - Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O - Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.85 -10.95 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.62 -7.94 H2S - Halite -3.04 -1.47 1.57 NaCl - Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O - Kieserite -4.08 -5.24 -1.16 MgSO4:H2O - Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.50 -2.89 O2 - Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S - Sylvite -4.59 -3.69 0.90 KCl - Thenardite -4.16 -4.46 -0.30 Na2SO4 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - -Using solution 8. Solution after simulation 4. -Using surface 8. -Using kinetics 8. - -Kinetics 8. - - Time: 2.64e+07 seconds - Time step: 600000 seconds - - Rate name Delta Moles Total Moles Reactant Coefficient - - -------------------------------Surface composition------------------------------ - -Diffuse Double Layer Surface-Complexation Model - -Su - -9.884e-11 Surface + diffuse layer charge, eq - -3.770e-01 Surface charge, eq - -3.638e-01 sigma, C/m² - -1.203e-01 psi, V - 4.681e+00 -F*psi/RT - 1.079e+02 exp(-F*psi/RT) - 1.000e+05 specific area, m²/g - 1.000e+05 m² for 1.000e+00 g - - Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. - - Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = -4.125e-02 V. - Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). - - Element Moles - C 1.6143e-04 - Ca 7.1884e-02 - Cl 4.6589e-10 - H 1.2950e-04 - Hto 3.3391e-09 - I 3.0151e-21 - K 8.9156e-04 - Mg 4.6365e-02 - Na 1.3761e-01 - Nat 3.4335e-09 - O 1.7087e-03 - S 3.1372e-04 - Sr 1.3747e-03 - -Su - 3.770e-01 moles - Mole Log - Species Moles Fraction Molality Molality - - Su- 3.770e-01 1.000 3.200e+00 0.505 - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - C 2.744e-03 3.233e-04 - Ca 2.590e-02 3.051e-03 - Cl 3.000e-01 3.535e-02 - Hto 2.830e-08 3.334e-09 - I 2.559e-08 3.014e-09 - K 1.540e-03 1.814e-04 - Mg 1.720e-02 2.026e-03 - Na 2.390e-01 2.816e-02 - Nat 5.843e-09 6.883e-10 - S 1.260e-02 1.484e-03 - Sr 5.000e-04 5.891e-05 - -----------------------------Description of solution---------------------------- - - pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.193 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.842e-09 + Electrical balance (eq) = -2.197e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -196938,8 +195714,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.233e-11 - CH4 4.233e-11 4.603e-11 -10.373 -10.337 0.036 35.46 +C(-4) 4.176e-11 + CH4 4.176e-11 4.540e-11 -10.379 -10.343 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -196949,7 +195725,7 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -196963,8 +195739,209 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.094e-11 - H2 1.047e-11 1.138e-11 -10.980 -10.944 0.036 28.61 +H(0) 2.087e-11 + H2 1.043e-11 1.134e-11 -10.982 -10.945 0.036 28.61 +Hto 7.324e-08 + Hto 7.324e-08 7.324e-08 -7.135 -7.135 0.000 (0) +I 7.470e-08 + I- 7.470e-08 7.470e-08 -7.127 -7.127 -0.000 (0) +K 1.540e-03 + K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 +Mg 1.720e-02 + Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) +Na 2.390e-01 + Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 +Nat 2.185e-08 + Nat+ 2.185e-08 2.185e-08 -7.661 -7.661 -0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.535 -70.498 0.036 30.40 +S(-2) 6.542e-08 + HS- 4.576e-08 3.013e-08 -7.340 -7.521 -0.182 21.14 + H2S 1.966e-08 2.137e-08 -7.706 -7.670 0.036 36.27 + S-2 1.860e-13 4.484e-14 -12.730 -13.348 -0.618 (0) + (H2S)2 2.214e-17 2.407e-17 -16.655 -16.618 0.036 30.09 +S(6) 1.260e-02 + SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 + NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 + Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 + HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) +Sr 5.000e-04 + Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 + SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Anhydrite -0.81 -5.09 -4.28 CaSO4 + Aragonite 0.10 -8.23 -8.34 CaCO3 + Arcanite -7.03 -8.91 -1.88 K2SO4 + Calcite 0.25 -8.23 -8.48 CaCO3 + Celestite -0.15 -6.81 -6.66 SrSO4 + CH4(g) -7.54 -10.34 -2.80 CH4 + CO2(g) -2.09 -3.56 -1.47 CO2 + Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 + Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O + Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O + H2(g) -7.84 -10.95 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + H2S(g) -6.68 -14.61 -7.94 H2S + Halite -3.04 -1.47 1.57 NaCl + Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O + Kieserite -4.08 -5.24 -1.16 MgSO4:H2O + Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O + O2(g) -67.61 -70.50 -2.89 O2 + Strontianite -0.68 -9.95 -9.27 SrCO3 + Sulfur -4.76 0.13 4.88 S + Sylvite -4.59 -3.69 0.90 KCl + Thenardite -4.16 -4.46 -0.30 Na2SO4 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 8. Solution after simulation 4. +Using surface 8. +Using kinetics 8. + +Kinetics 8. + + Time: 2.64e+07 seconds + Time step: 600000 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + +------------------------------Surface composition------------------------------ + +Diffuse Double Layer Surface-Complexation Model + +Su + -9.910e-11 Surface + diffuse layer charge, eq + -3.770e-01 Surface charge, eq + -3.638e-01 sigma, C/m² + -1.203e-01 psi, V + 4.681e+00 -F*psi/RT + 1.079e+02 exp(-F*psi/RT) + 1.000e+05 specific area, m²/g + 1.000e+05 m² for 1.000e+00 g + + Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. + viscosity: 0.92734 mPa s for DDL water. + + Total moles in diffuse layer (excluding water), Donnan calculation. + Donnan Layer potential, psi_DL = -4.125e-02 V. + Boltzmann factor, exp(-psi_DL * F / RT) = 4.980e+00 (= c_DL / c_free if z is +1). + + Element Moles + C 1.6143e-04 + Ca 7.1884e-02 + Cl 4.6587e-10 + H 1.2950e-04 + Hto 3.3390e-09 + I 3.0147e-21 + K 8.9156e-04 + Mg 4.6365e-02 + Na 1.3761e-01 + Nat 3.4333e-09 + O 1.7087e-03 + S 3.1372e-04 + Sr 1.3747e-03 + +Su + 3.770e-01 moles + Mole Log + Species Moles Fraction Molality Molality + + Su- 3.770e-01 1.000 3.200e+00 0.505 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + C 2.744e-03 3.233e-04 + Ca 2.590e-02 3.051e-03 + Cl 3.000e-01 3.535e-02 + Hto 2.830e-08 3.334e-09 + I 2.559e-08 3.014e-09 + K 1.540e-03 1.814e-04 + Mg 1.720e-02 2.026e-03 + Na 2.390e-01 2.816e-02 + Nat 5.842e-09 6.883e-10 + S 1.260e-02 1.484e-03 + Sr 5.000e-04 5.891e-05 + +----------------------------Description of solution---------------------------- + + pH = 7.091 Charge balance + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 + Density (g/cm³) = 1.01108 + Volume (L) = 0.11874 + Viscosity (mPa s) = 0.92734 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.632e-01 + Mass of water (kg) = 1.178e-01 + Total alkalinity (eq/kg) = 2.501e-03 + Total CO2 (mol/kg) = 2.744e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = -2.195e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 (14 overall) + Total H = 1.307863e+01 + Total O = 6.546049e+00 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 +C(-4) 4.315e-11 + CH4 4.315e-11 4.692e-11 -10.365 -10.329 0.036 35.46 +C(4) 2.744e-03 + HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 + CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 + MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) + MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 +Ca 2.590e-02 + Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 + CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) +Cl 3.000e-01 + Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.104e-11 + H2 1.052e-11 1.144e-11 -10.978 -10.942 0.036 28.61 Hto 2.830e-08 Hto 2.830e-08 2.830e-08 -7.548 -7.548 0.000 (0) I 2.559e-08 @@ -196984,16 +195961,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.843e-09 - Nat+ 5.843e-09 5.843e-09 -8.233 -8.233 -0.000 (0) +Nat 5.842e-09 + Nat+ 5.842e-09 5.842e-09 -8.233 -8.233 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.538 -70.501 0.036 30.40 -S(-2) 6.632e-08 - HS- 4.639e-08 3.054e-08 -7.334 -7.515 -0.182 21.14 - H2S 1.993e-08 2.167e-08 -7.701 -7.664 0.036 36.27 - S-2 1.886e-13 4.545e-14 -12.725 -13.342 -0.618 (0) - (H2S)2 2.275e-17 2.474e-17 -16.643 -16.607 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.542 -70.505 0.036 30.40 +S(-2) 6.760e-08 + HS- 4.729e-08 3.113e-08 -7.325 -7.507 -0.182 21.14 + H2S 2.031e-08 2.209e-08 -7.692 -7.656 0.036 36.27 + S-2 1.922e-13 4.634e-14 -12.716 -13.334 -0.618 (0) + (H2S)2 2.364e-17 2.571e-17 -16.626 -16.590 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -197020,21 +195996,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.61 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.75 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -197058,7 +196034,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.868e-11 Surface + diffuse layer charge, eq + -9.896e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -197068,7 +196044,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -197077,14 +196053,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6587e-10 H 1.2950e-04 Hto 1.1060e-09 - I 8.7733e-22 + I 8.7743e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.5664e-10 + Nat 7.5656e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -197115,18 +196091,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.838e-09 + Electrical balance (eq) = -2.192e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -197138,10 +196114,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.261e-11 - CH4 4.261e-11 4.632e-11 -10.371 -10.334 0.036 35.46 +C(-4) 4.354e-11 + CH4 4.354e-11 4.733e-11 -10.361 -10.325 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -197153,7 +196129,7 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -197165,8 +196141,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.097e-11 - H2 1.049e-11 1.140e-11 -10.979 -10.943 0.036 28.61 +H(0) 2.109e-11 + H2 1.054e-11 1.146e-11 -10.977 -10.941 0.036 28.61 Hto 9.373e-09 Hto 9.373e-09 9.373e-09 -8.028 -8.028 0.000 (0) I 7.447e-09 @@ -197186,16 +196162,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.287e-09 Nat+ 1.287e-09 1.287e-09 -8.890 -8.890 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.539 -70.503 0.036 30.40 -S(-2) 6.675e-08 - HS- 4.669e-08 3.074e-08 -7.331 -7.512 -0.182 21.14 - H2S 2.006e-08 2.181e-08 -7.698 -7.661 0.036 36.27 - S-2 1.898e-13 4.575e-14 -12.722 -13.340 -0.618 (0) - (H2S)2 2.305e-17 2.506e-17 -16.637 -16.601 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.544 -70.507 0.036 30.40 +S(-2) 6.820e-08 + HS- 4.771e-08 3.141e-08 -7.321 -7.503 -0.182 21.14 + H2S 2.049e-08 2.228e-08 -7.688 -7.652 0.036 36.27 + S-2 1.939e-13 4.675e-14 -12.712 -13.330 -0.618 (0) + (H2S)2 2.406e-17 2.616e-17 -16.619 -16.582 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -197210,7 +196185,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -197222,21 +196197,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.60 -7.94 H2S + H2S(g) -6.66 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -197260,7 +196235,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.856e-11 Surface + diffuse layer charge, eq + -9.884e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -197270,7 +196245,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -197279,14 +196254,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6587e-10 H 1.2950e-04 - Hto 3.1733e-10 - I 2.1964e-22 + Hto 3.1731e-10 + I 2.1962e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4042e-10 + Nat 1.4041e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -197317,18 +196292,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.836e-09 + Electrical balance (eq) = -2.190e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -197340,10 +196315,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.252e-11 - CH4 4.252e-11 4.623e-11 -10.371 -10.335 0.036 35.46 +C(-4) 4.349e-11 + CH4 4.349e-11 4.729e-11 -10.362 -10.325 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -197353,9 +196328,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -197367,8 +196342,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.096e-11 - H2 1.048e-11 1.140e-11 -10.980 -10.943 0.036 28.61 +H(0) 2.108e-11 + H2 1.054e-11 1.146e-11 -10.977 -10.941 0.036 28.61 Hto 2.689e-09 Hto 2.689e-09 2.689e-09 -8.570 -8.570 0.000 (0) I 1.864e-09 @@ -197388,16 +196363,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.389e-10 Nat+ 2.389e-10 2.389e-10 -9.622 -9.622 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.539 -70.502 0.036 30.40 -S(-2) 6.661e-08 - HS- 4.660e-08 3.067e-08 -7.332 -7.513 -0.182 21.14 - H2S 2.002e-08 2.176e-08 -7.699 -7.662 0.036 36.27 - S-2 1.894e-13 4.566e-14 -12.723 -13.340 -0.618 (0) - (H2S)2 2.296e-17 2.496e-17 -16.639 -16.603 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.543 -70.507 0.036 30.40 +S(-2) 6.813e-08 + HS- 4.766e-08 3.137e-08 -7.322 -7.503 -0.182 21.14 + H2S 2.047e-08 2.226e-08 -7.689 -7.652 0.036 36.27 + S-2 1.937e-13 4.670e-14 -12.713 -13.331 -0.618 (0) + (H2S)2 2.402e-17 2.611e-17 -16.620 -16.583 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -197412,7 +196386,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -197424,21 +196398,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.34 -2.80 CH4 + CH4(g) -7.52 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.60 -7.94 H2S + H2S(g) -6.66 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.61 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -197462,7 +196436,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.844e-11 Surface + diffuse layer charge, eq + -9.872e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -197472,7 +196446,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -197481,14 +196455,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6587e-10 H 1.2950e-04 - Hto 7.9589e-11 - I 4.7808e-23 + Hto 7.9583e-11 + I 4.7802e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2318e-11 + Nat 2.2315e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -197507,30 +196481,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.745e-10 7.946e-11 + Hto 6.744e-10 7.945e-11 I 4.058e-10 4.780e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.798e-11 4.474e-12 + Nat 3.797e-11 4.473e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.319e-09 + Electrical balance (eq) = -1.674e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -197544,8 +196518,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.231e-11 - CH4 4.231e-11 4.600e-11 -10.374 -10.337 0.036 35.46 +C(-4) 4.329e-11 + CH4 4.329e-11 4.707e-11 -10.364 -10.327 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -197553,12 +196527,12 @@ C(4) 2.744e-03 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -197569,10 +196543,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.094e-11 - H2 1.047e-11 1.138e-11 -10.980 -10.944 0.036 28.61 -Hto 6.745e-10 - Hto 6.745e-10 6.745e-10 -9.171 -9.171 0.000 (0) +H(0) 2.106e-11 + H2 1.053e-11 1.145e-11 -10.978 -10.941 0.036 28.61 +Hto 6.744e-10 + Hto 6.744e-10 6.744e-10 -9.171 -9.171 0.000 (0) I 4.058e-10 I- 4.058e-10 4.058e-10 -9.392 -9.392 -0.000 (0) K 1.540e-03 @@ -197590,16 +196564,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.798e-11 - Nat+ 3.798e-11 3.798e-11 -10.420 -10.420 -0.000 (0) +Nat 3.797e-11 + Nat+ 3.797e-11 3.797e-11 -10.421 -10.421 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.537 -70.501 0.036 30.40 -S(-2) 6.628e-08 - HS- 4.636e-08 3.052e-08 -7.334 -7.515 -0.182 21.14 - H2S 1.992e-08 2.166e-08 -7.701 -7.664 0.036 36.27 - S-2 1.885e-13 4.543e-14 -12.725 -13.343 -0.618 (0) - (H2S)2 2.273e-17 2.471e-17 -16.643 -16.607 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.542 -70.506 0.036 30.40 +S(-2) 6.782e-08 + HS- 4.744e-08 3.123e-08 -7.324 -7.505 -0.182 21.14 + H2S 2.038e-08 2.216e-08 -7.691 -7.654 0.036 36.27 + S-2 1.929e-13 4.649e-14 -12.715 -13.333 -0.618 (0) + (H2S)2 2.380e-17 2.587e-17 -16.623 -16.587 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -197613,7 +196586,7 @@ S(6) 1.260e-02 Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) @@ -197626,21 +196599,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.61 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.75 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -197664,7 +196637,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.836e-11 Surface + diffuse layer charge, eq + -9.864e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -197674,7 +196647,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -197683,14 +196656,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6587e-10 H 1.2950e-04 - Hto 1.7591e-11 + Hto 1.7589e-11 I 9.1297e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.0780e-12 + Nat 3.0774e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -197714,25 +196687,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.238e-12 6.170e-13 + Nat 5.237e-12 6.169e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.269e-09 + Electrical balance (eq) = -1.622e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -197746,33 +196719,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.213e-11 - CH4 4.213e-11 4.580e-11 -10.375 -10.339 0.036 35.46 +C(-4) 4.311e-11 + CH4 4.311e-11 4.687e-11 -10.365 -10.329 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.091e-11 - H2 1.046e-11 1.137e-11 -10.981 -10.944 0.036 28.61 +H(0) 2.104e-11 + H2 1.052e-11 1.144e-11 -10.978 -10.942 0.036 28.61 Hto 1.491e-10 Hto 1.491e-10 1.491e-10 -9.827 -9.827 0.000 (0) I 7.749e-11 @@ -197780,7 +196753,7 @@ I 7.749e-11 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -197792,16 +196765,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.238e-12 - Nat+ 5.238e-12 5.238e-12 -11.281 -11.281 -0.000 (0) +Nat 5.237e-12 + Nat+ 5.237e-12 5.237e-12 -11.281 -11.281 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.537 -70.500 0.036 30.40 -S(-2) 6.599e-08 - HS- 4.616e-08 3.039e-08 -7.336 -7.517 -0.182 21.14 - H2S 1.983e-08 2.156e-08 -7.703 -7.666 0.036 36.27 - S-2 1.876e-13 4.523e-14 -12.727 -13.345 -0.618 (0) - (H2S)2 2.253e-17 2.450e-17 -16.647 -16.611 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.542 -70.505 0.036 30.40 +S(-2) 6.754e-08 + HS- 4.724e-08 3.110e-08 -7.326 -7.507 -0.182 21.14 + H2S 2.030e-08 2.207e-08 -7.693 -7.656 0.036 36.27 + S-2 1.920e-13 4.629e-14 -12.717 -13.334 -0.618 (0) + (H2S)2 2.360e-17 2.566e-17 -16.627 -16.591 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -197815,7 +196787,7 @@ S(6) 1.260e-02 Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) @@ -197828,21 +196800,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.61 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.75 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -197866,7 +196838,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.831e-11 Surface + diffuse layer charge, eq + -9.859e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -197876,7 +196848,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -197885,14 +196857,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 3.4500e-12 - I 1.5419e-24 + Hto 3.4496e-12 + I 1.5421e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.7226e-13 + Nat 3.7218e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -197911,30 +196883,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.924e-11 3.444e-12 + Hto 2.923e-11 3.444e-12 I 1.309e-11 1.542e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.334e-13 7.463e-14 + Nat 6.333e-13 7.461e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.724e-09 + Electrical balance (eq) = -2.077e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -197948,41 +196920,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.205e-11 - CH4 4.205e-11 4.572e-11 -10.376 -10.340 0.036 35.46 +C(-4) 4.304e-11 + CH4 4.304e-11 4.679e-11 -10.366 -10.330 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.090e-11 - H2 1.045e-11 1.136e-11 -10.981 -10.944 0.036 28.61 -Hto 2.924e-11 - Hto 2.924e-11 2.924e-11 -10.534 -10.534 0.000 (0) +H(0) 2.103e-11 + H2 1.051e-11 1.143e-11 -10.978 -10.942 0.036 28.61 +Hto 2.923e-11 + Hto 2.923e-11 2.923e-11 -10.534 -10.534 0.000 (0) I 1.309e-11 I- 1.309e-11 1.309e-11 -10.883 -10.883 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -197994,16 +196966,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.334e-13 - Nat+ 6.334e-13 6.334e-13 -12.198 -12.198 -0.000 (0) +Nat 6.333e-13 + Nat+ 6.333e-13 6.333e-13 -12.198 -12.198 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.536 -70.500 0.036 30.40 -S(-2) 6.587e-08 - HS- 4.608e-08 3.033e-08 -7.337 -7.518 -0.182 21.14 - H2S 1.980e-08 2.152e-08 -7.703 -7.667 0.036 36.27 - S-2 1.873e-13 4.515e-14 -12.727 -13.345 -0.618 (0) - (H2S)2 2.245e-17 2.441e-17 -16.649 -16.612 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.541 -70.505 0.036 30.40 +S(-2) 6.742e-08 + HS- 4.716e-08 3.105e-08 -7.326 -7.508 -0.182 21.14 + H2S 2.026e-08 2.203e-08 -7.693 -7.657 0.036 36.27 + S-2 1.917e-13 4.621e-14 -12.717 -13.335 -0.618 (0) + (H2S)2 2.351e-17 2.557e-17 -16.629 -16.592 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -198017,7 +196988,7 @@ S(6) 1.260e-02 Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) @@ -198030,14 +197001,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -198068,7 +197039,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.831e-11 Surface + diffuse layer charge, eq + -9.859e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -198078,7 +197049,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -198087,14 +197058,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 6.0398e-13 + Hto 6.0391e-13 I 2.3179e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9820e-14 + Nat 3.9811e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -198113,30 +197084,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.119e-12 6.030e-13 + Hto 5.118e-12 6.029e-13 I 1.968e-12 2.318e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.776e-14 7.983e-15 + Nat 6.774e-14 7.981e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.739e-09 + Electrical balance (eq) = -2.092e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -198150,41 +197121,41 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.210e-11 - CH4 4.210e-11 4.578e-11 -10.376 -10.339 0.036 35.46 +C(-4) 4.309e-11 + CH4 4.309e-11 4.685e-11 -10.366 -10.329 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.091e-11 - H2 1.046e-11 1.137e-11 -10.981 -10.944 0.036 28.61 -Hto 5.119e-12 - Hto 5.119e-12 5.119e-12 -11.291 -11.291 0.000 (0) +H(0) 2.103e-11 + H2 1.052e-11 1.143e-11 -10.978 -10.942 0.036 28.61 +Hto 5.118e-12 + Hto 5.118e-12 5.118e-12 -11.291 -11.291 0.000 (0) I 1.968e-12 I- 1.968e-12 1.968e-12 -11.706 -11.706 -0.000 (0) K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.681e-07 6.733e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -198196,16 +197167,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.776e-14 - Nat+ 6.776e-14 6.776e-14 -13.169 -13.169 -0.000 (0) +Nat 6.774e-14 + Nat+ 6.774e-14 6.774e-14 -13.169 -13.169 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.536 -70.500 0.036 30.40 -S(-2) 6.596e-08 - HS- 4.614e-08 3.037e-08 -7.336 -7.518 -0.182 21.14 - H2S 1.982e-08 2.155e-08 -7.703 -7.667 0.036 36.27 - S-2 1.875e-13 4.521e-14 -12.727 -13.345 -0.618 (0) - (H2S)2 2.251e-17 2.447e-17 -16.648 -16.611 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.541 -70.505 0.036 30.40 +S(-2) 6.750e-08 + HS- 4.722e-08 3.108e-08 -7.326 -7.507 -0.182 21.14 + H2S 2.028e-08 2.205e-08 -7.693 -7.657 0.036 36.27 + S-2 1.919e-13 4.627e-14 -12.717 -13.335 -0.618 (0) + (H2S)2 2.357e-17 2.563e-17 -16.628 -16.591 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -198219,7 +197189,7 @@ S(6) 1.260e-02 Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) @@ -198232,21 +197202,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.61 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.75 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -198270,7 +197240,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.838e-11 Surface + diffuse layer charge, eq + -9.866e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -198280,7 +197250,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -198289,14 +197259,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6587e-10 H 1.2950e-04 - Hto 9.4868e-14 + Hto 9.4854e-14 I 3.1195e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.7937e-15 + Nat 3.7927e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -198315,30 +197285,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.040e-13 9.472e-14 + Hto 8.039e-13 9.470e-14 I 2.648e-13 3.120e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.455e-15 7.605e-16 + Nat 6.454e-15 7.603e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.478e-10 + Electrical balance (eq) = -6.010e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -198352,8 +197322,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.229e-11 - CH4 4.229e-11 4.598e-11 -10.374 -10.337 0.036 35.46 +C(-4) 4.328e-11 + CH4 4.328e-11 4.705e-11 -10.364 -10.327 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -198361,12 +197331,12 @@ C(4) 2.744e-03 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -198377,10 +197347,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.093e-11 - H2 1.047e-11 1.138e-11 -10.980 -10.944 0.036 28.61 -Hto 8.040e-13 - Hto 8.040e-13 8.040e-13 -12.095 -12.095 0.000 (0) +H(0) 2.106e-11 + H2 1.053e-11 1.145e-11 -10.978 -10.941 0.036 28.61 +Hto 8.039e-13 + Hto 8.039e-13 8.039e-13 -12.095 -12.095 0.000 (0) I 2.648e-13 I- 2.648e-13 2.648e-13 -12.577 -12.577 -0.000 (0) K 1.540e-03 @@ -198398,16 +197368,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.455e-15 - Nat+ 6.455e-15 6.455e-15 -14.190 -14.190 -0.000 (0) +Nat 6.454e-15 + Nat+ 6.454e-15 6.454e-15 -14.190 -14.190 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.537 -70.501 0.036 30.40 -S(-2) 6.625e-08 - HS- 4.634e-08 3.051e-08 -7.334 -7.516 -0.182 21.14 - H2S 1.991e-08 2.165e-08 -7.701 -7.665 0.036 36.27 - S-2 1.884e-13 4.541e-14 -12.725 -13.343 -0.618 (0) - (H2S)2 2.271e-17 2.469e-17 -16.644 -16.607 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.542 -70.506 0.036 30.40 +S(-2) 6.780e-08 + HS- 4.742e-08 3.122e-08 -7.324 -7.506 -0.182 21.14 + H2S 2.037e-08 2.215e-08 -7.691 -7.655 0.036 36.27 + S-2 1.928e-13 4.647e-14 -12.715 -13.333 -0.618 (0) + (H2S)2 2.378e-17 2.585e-17 -16.624 -16.587 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -198421,7 +197390,7 @@ S(6) 1.260e-02 Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 - SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) + SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) @@ -198434,21 +197403,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.66 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.61 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.75 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -198472,7 +197441,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.846e-11 Surface + diffuse layer charge, eq + -9.874e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -198482,7 +197451,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -198491,14 +197460,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6587e-10 H 1.2950e-04 - Hto 1.3427e-14 + Hto 1.3425e-14 I 3.7771e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2377e-16 + Nat 3.2368e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -198517,30 +197486,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.138e-13 1.341e-14 + Hto 1.138e-13 1.340e-14 I 3.205e-14 3.776e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.509e-16 6.491e-17 + Nat 5.508e-16 6.489e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.195 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.834e-09 + Electrical balance (eq) = -2.187e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -198552,10 +197521,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.255e-11 - CH4 4.255e-11 4.626e-11 -10.371 -10.335 0.036 35.46 +C(-4) 4.354e-11 + CH4 4.354e-11 4.733e-11 -10.361 -10.325 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -198565,9 +197534,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -198579,8 +197548,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.097e-11 - H2 1.048e-11 1.140e-11 -10.980 -10.943 0.036 28.61 +H(0) 2.109e-11 + H2 1.054e-11 1.146e-11 -10.977 -10.941 0.036 28.61 Hto 1.138e-13 Hto 1.138e-13 1.138e-13 -12.944 -12.944 0.000 (0) I 3.205e-14 @@ -198600,16 +197569,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.509e-16 - Nat+ 5.509e-16 5.509e-16 -15.259 -15.259 -0.000 (0) +Nat 5.508e-16 + Nat+ 5.508e-16 5.508e-16 -15.259 -15.259 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.539 -70.502 0.036 30.40 -S(-2) 6.666e-08 - HS- 4.663e-08 3.069e-08 -7.331 -7.513 -0.182 21.14 - H2S 2.003e-08 2.178e-08 -7.698 -7.662 0.036 36.27 - S-2 1.895e-13 4.569e-14 -12.722 -13.340 -0.618 (0) - (H2S)2 2.299e-17 2.499e-17 -16.639 -16.602 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.544 -70.507 0.036 30.40 +S(-2) 6.820e-08 + HS- 4.771e-08 3.141e-08 -7.321 -7.503 -0.182 21.14 + H2S 2.049e-08 2.228e-08 -7.688 -7.652 0.036 36.27 + S-2 1.939e-13 4.675e-14 -12.712 -13.330 -0.618 (0) + (H2S)2 2.406e-17 2.616e-17 -16.619 -16.582 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -198624,7 +197592,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -198636,21 +197604,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.60 -7.94 H2S + H2S(g) -6.66 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -198674,7 +197642,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.853e-11 Surface + diffuse layer charge, eq + -9.881e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -198684,7 +197652,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -198693,14 +197661,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 1.7187e-15 + Hto 1.7184e-15 I 4.1277e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4870e-17 + Nat 2.4863e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -198719,30 +197687,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.457e-14 1.716e-15 + Hto 1.456e-14 1.716e-15 I 3.504e-15 4.128e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.232e-17 4.986e-18 + Nat 4.231e-17 4.984e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.836e-09 + Electrical balance (eq) = -2.190e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -198754,10 +197722,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.276e-11 - CH4 4.276e-11 4.649e-11 -10.369 -10.333 0.036 35.46 +C(-4) 4.375e-11 + CH4 4.375e-11 4.756e-11 -10.359 -10.323 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -198769,7 +197737,7 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -198780,11 +197748,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.099e-11 - H2 1.050e-11 1.141e-11 -10.979 -10.943 0.036 28.61 -Hto 1.457e-14 - Hto 1.457e-14 1.457e-14 -13.837 -13.837 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.111e-11 + H2 1.056e-11 1.148e-11 -10.976 -10.940 0.036 28.61 +Hto 1.456e-14 + Hto 1.456e-14 1.456e-14 -13.837 -13.837 0.000 (0) I 3.504e-15 I- 3.504e-15 3.504e-15 -14.455 -14.455 -0.000 (0) K 1.540e-03 @@ -198802,16 +197770,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.232e-17 - Nat+ 4.232e-17 4.232e-17 -16.373 -16.373 -0.000 (0) +Nat 4.231e-17 + Nat+ 4.231e-17 4.231e-17 -16.374 -16.374 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.540 -70.503 0.036 30.40 -S(-2) 6.699e-08 - HS- 4.686e-08 3.085e-08 -7.329 -7.511 -0.182 21.14 - H2S 2.013e-08 2.189e-08 -7.696 -7.660 0.036 36.27 - S-2 1.905e-13 4.591e-14 -12.720 -13.338 -0.618 (0) - (H2S)2 2.321e-17 2.524e-17 -16.634 -16.598 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.545 -70.508 0.036 30.40 +S(-2) 6.853e-08 + HS- 4.794e-08 3.156e-08 -7.319 -7.501 -0.182 21.14 + H2S 2.059e-08 2.239e-08 -7.686 -7.650 0.036 36.27 + S-2 1.949e-13 4.697e-14 -12.710 -13.328 -0.618 (0) + (H2S)2 2.430e-17 2.642e-17 -16.614 -16.578 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -198820,13 +197787,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -198838,21 +197805,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.60 -7.94 H2S + H2S(g) -6.66 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -198876,7 +197843,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.857e-11 Surface + diffuse layer charge, eq + -9.885e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -198886,7 +197853,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -198895,14 +197862,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 1.9958e-16 + Hto 1.9954e-16 I 4.0879e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7262e-18 + Nat 1.7257e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -198921,30 +197888,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.691e-15 1.993e-16 + Hto 1.691e-15 1.992e-16 I 3.470e-16 4.088e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.937e-18 3.461e-19 + Nat 2.936e-18 3.459e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.837e-09 + Electrical balance (eq) = -2.190e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -198956,10 +197923,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.287e-11 - CH4 4.287e-11 4.661e-11 -10.368 -10.331 0.036 35.46 +C(-4) 4.386e-11 + CH4 4.386e-11 4.769e-11 -10.358 -10.322 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -198969,9 +197936,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -198982,9 +197949,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.101e-11 - H2 1.050e-11 1.142e-11 -10.979 -10.942 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.113e-11 + H2 1.056e-11 1.148e-11 -10.976 -10.940 0.036 28.61 Hto 1.691e-15 Hto 1.691e-15 1.691e-15 -14.772 -14.772 0.000 (0) I 3.470e-16 @@ -199004,16 +197971,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.937e-18 - Nat+ 2.937e-18 2.937e-18 -17.532 -17.532 -0.000 (0) +Nat 2.936e-18 + Nat+ 2.936e-18 2.936e-18 -17.532 -17.532 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.540 -70.504 0.036 30.40 -S(-2) 6.717e-08 - HS- 4.698e-08 3.093e-08 -7.328 -7.510 -0.182 21.14 - H2S 2.018e-08 2.194e-08 -7.695 -7.659 0.036 36.27 - S-2 1.910e-13 4.604e-14 -12.719 -13.337 -0.618 (0) - (H2S)2 2.334e-17 2.538e-17 -16.632 -16.596 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.545 -70.509 0.036 30.40 +S(-2) 6.871e-08 + HS- 4.806e-08 3.164e-08 -7.318 -7.500 -0.182 21.14 + H2S 2.065e-08 2.245e-08 -7.685 -7.649 0.036 36.27 + S-2 1.954e-13 4.710e-14 -12.709 -13.327 -0.618 (0) + (H2S)2 2.442e-17 2.656e-17 -16.612 -16.576 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -199022,13 +197988,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -199040,21 +198006,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -199078,7 +198044,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.858e-11 Surface + diffuse layer charge, eq + -9.885e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -199088,7 +198054,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -199097,14 +198063,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 2.1080e-17 - I 3.6793e-30 + Hto 2.1075e-17 + I 3.6785e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0862e-19 + Nat 1.0858e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -199123,7 +198089,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.786e-16 2.105e-17 + Hto 1.786e-16 2.104e-17 I 3.122e-17 3.678e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -199135,18 +198101,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.837e-09 + Electrical balance (eq) = -2.190e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -199158,10 +198124,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.292e-11 - CH4 4.292e-11 4.666e-11 -10.367 -10.331 0.036 35.46 +C(-4) 4.391e-11 + CH4 4.391e-11 4.774e-11 -10.357 -10.321 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -199171,9 +198137,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -199184,9 +198150,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.101e-11 - H2 1.051e-11 1.142e-11 -10.979 -10.942 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.113e-11 + H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 Hto 1.786e-16 Hto 1.786e-16 1.786e-16 -15.748 -15.748 0.000 (0) I 3.122e-17 @@ -199206,16 +198172,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.848e-19 Nat+ 1.848e-19 1.848e-19 -18.733 -18.733 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 -S(-2) 6.724e-08 - HS- 4.703e-08 3.096e-08 -7.328 -7.509 -0.182 21.14 - H2S 2.020e-08 2.197e-08 -7.695 -7.658 0.036 36.27 - S-2 1.912e-13 4.608e-14 -12.719 -13.336 -0.618 (0) - (H2S)2 2.339e-17 2.543e-17 -16.631 -16.595 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 +S(-2) 6.878e-08 + HS- 4.811e-08 3.167e-08 -7.318 -7.499 -0.182 21.14 + H2S 2.067e-08 2.247e-08 -7.685 -7.648 0.036 36.27 + S-2 1.956e-13 4.715e-14 -12.709 -13.327 -0.618 (0) + (H2S)2 2.447e-17 2.661e-17 -16.611 -16.575 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -199224,13 +198189,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -199242,21 +198207,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -199280,7 +198245,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.858e-11 Surface + diffuse layer charge, eq + -9.886e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -199290,7 +198255,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -199299,14 +198264,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 2.0293e-18 - I 3.0146e-31 + Hto 2.0289e-18 + I 3.0136e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2119e-21 + Nat 6.2095e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -199325,7 +198290,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.720e-17 2.026e-18 + Hto 1.719e-17 2.026e-18 I 2.558e-18 3.014e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -199337,18 +198302,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.837e-09 + Electrical balance (eq) = -2.191e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -199360,10 +198325,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.293e-11 - CH4 4.293e-11 4.668e-11 -10.367 -10.331 0.036 35.46 +C(-4) 4.392e-11 + CH4 4.392e-11 4.775e-11 -10.357 -10.321 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -199373,9 +198338,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -199386,11 +198351,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.101e-11 - H2 1.051e-11 1.142e-11 -10.979 -10.942 0.036 28.61 -Hto 1.720e-17 - Hto 1.720e-17 1.720e-17 -16.765 -16.765 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.113e-11 + H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 +Hto 1.719e-17 + Hto 1.719e-17 1.719e-17 -16.765 -16.765 0.000 (0) I 2.558e-18 I- 2.558e-18 2.558e-18 -17.592 -17.592 -0.000 (0) K 1.540e-03 @@ -199408,16 +198373,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.057e-20 Nat+ 1.057e-20 1.057e-20 -19.976 -19.976 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 -S(-2) 6.726e-08 - HS- 4.705e-08 3.097e-08 -7.327 -7.509 -0.182 21.14 - H2S 2.021e-08 2.197e-08 -7.694 -7.658 0.036 36.27 - S-2 1.912e-13 4.610e-14 -12.718 -13.336 -0.618 (0) - (H2S)2 2.340e-17 2.544e-17 -16.631 -16.594 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 +S(-2) 6.880e-08 + HS- 4.813e-08 3.168e-08 -7.318 -7.499 -0.182 21.14 + H2S 2.068e-08 2.248e-08 -7.685 -7.648 0.036 36.27 + S-2 1.956e-13 4.716e-14 -12.709 -13.326 -0.618 (0) + (H2S)2 2.449e-17 2.663e-17 -16.611 -16.575 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -199426,13 +198390,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -199444,21 +198408,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -199482,7 +198446,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.857e-11 Surface + diffuse layer charge, eq + -9.886e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -199492,7 +198456,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -199501,14 +198465,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 1.7838e-19 - I 2.2533e-32 + Hto 1.7833e-19 + I 2.2536e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2347e-22 + Nat 3.2333e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -199527,30 +198491,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.512e-18 1.781e-19 + Hto 1.511e-18 1.780e-19 I 1.913e-19 2.253e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.504e-22 6.485e-23 + Nat 5.502e-22 6.482e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.837e-09 + Electrical balance (eq) = -2.191e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -199562,10 +198526,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.294e-11 - CH4 4.294e-11 4.668e-11 -10.367 -10.331 0.036 35.46 +C(-4) 4.392e-11 + CH4 4.392e-11 4.776e-11 -10.357 -10.321 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -199575,9 +198539,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -199588,11 +198552,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.101e-11 - H2 1.051e-11 1.142e-11 -10.979 -10.942 0.036 28.61 -Hto 1.512e-18 - Hto 1.512e-18 1.512e-18 -17.821 -17.821 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.113e-11 + H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 +Hto 1.511e-18 + Hto 1.511e-18 1.511e-18 -17.821 -17.821 0.000 (0) I 1.913e-19 I- 1.913e-19 1.913e-19 -18.718 -18.718 -0.000 (0) K 1.540e-03 @@ -199610,16 +198574,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.504e-22 - Nat+ 5.504e-22 5.504e-22 -21.259 -21.259 -0.000 (0) +Nat 5.502e-22 + Nat+ 5.502e-22 5.502e-22 -21.259 -21.259 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 -S(-2) 6.726e-08 - HS- 4.705e-08 3.097e-08 -7.327 -7.509 -0.182 21.14 - H2S 2.021e-08 2.198e-08 -7.694 -7.658 0.036 36.27 - S-2 1.913e-13 4.610e-14 -12.718 -13.336 -0.618 (0) - (H2S)2 2.341e-17 2.545e-17 -16.631 -16.594 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 +S(-2) 6.881e-08 + HS- 4.813e-08 3.169e-08 -7.318 -7.499 -0.182 21.14 + H2S 2.068e-08 2.248e-08 -7.685 -7.648 0.036 36.27 + S-2 1.957e-13 4.716e-14 -12.708 -13.326 -0.618 (0) + (H2S)2 2.449e-17 2.663e-17 -16.611 -16.575 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -199628,13 +198591,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -199646,21 +198609,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -199684,7 +198647,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.858e-11 Surface + diffuse layer charge, eq + -9.886e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -199694,7 +198657,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -199703,14 +198666,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 1.4340e-20 + Hto 1.4336e-20 I 1.5392e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5180e-23 + Nat 1.5173e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -199729,30 +198692,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.215e-19 1.432e-20 + Hto 1.215e-19 1.431e-20 I 1.306e-20 1.539e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.583e-23 3.043e-24 + Nat 2.582e-23 3.042e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.837e-09 + Electrical balance (eq) = -2.191e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -199764,10 +198727,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.294e-11 - CH4 4.294e-11 4.668e-11 -10.367 -10.331 0.036 35.46 +C(-4) 4.392e-11 + CH4 4.392e-11 4.776e-11 -10.357 -10.321 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -199777,9 +198740,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -199790,9 +198753,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.101e-11 - H2 1.051e-11 1.142e-11 -10.979 -10.942 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.113e-11 + H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 Hto 1.215e-19 Hto 1.215e-19 1.215e-19 -18.915 -18.915 0.000 (0) I 1.306e-20 @@ -199812,16 +198775,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.583e-23 - Nat+ 2.583e-23 2.583e-23 -22.588 -22.588 -0.000 (0) +Nat 2.582e-23 + Nat+ 2.582e-23 2.582e-23 -22.588 -22.588 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 -S(-2) 6.726e-08 - HS- 4.705e-08 3.097e-08 -7.327 -7.509 -0.182 21.14 - H2S 2.021e-08 2.198e-08 -7.694 -7.658 0.036 36.27 - S-2 1.913e-13 4.610e-14 -12.718 -13.336 -0.618 (0) - (H2S)2 2.341e-17 2.545e-17 -16.631 -16.594 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 +S(-2) 6.881e-08 + HS- 4.813e-08 3.169e-08 -7.318 -7.499 -0.182 21.14 + H2S 2.068e-08 2.248e-08 -7.685 -7.648 0.036 36.27 + S-2 1.957e-13 4.716e-14 -12.708 -13.326 -0.618 (0) + (H2S)2 2.449e-17 2.663e-17 -16.611 -16.575 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -199830,13 +198792,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -199848,21 +198810,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -199886,7 +198848,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.858e-11 Surface + diffuse layer charge, eq + -9.886e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -199896,7 +198858,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -199905,14 +198867,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 1.1253e-21 - I 1.0155e-34 + Hto 1.1249e-21 + I 1.0156e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9918e-25 + Nat 4.9893e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -199931,30 +198893,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.536e-21 1.123e-21 + Hto 9.533e-21 1.123e-21 I 8.620e-22 1.015e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.494e-25 1.001e-25 + Nat 8.490e-25 1.000e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.837e-09 + Electrical balance (eq) = -2.191e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -199966,10 +198928,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.294e-11 - CH4 4.294e-11 4.668e-11 -10.367 -10.331 0.036 35.46 +C(-4) 4.392e-11 + CH4 4.392e-11 4.776e-11 -10.357 -10.321 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -199979,9 +198941,9 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -199992,11 +198954,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.101e-11 - H2 1.051e-11 1.142e-11 -10.979 -10.942 0.036 28.61 -Hto 9.536e-21 - Hto 9.536e-21 9.536e-21 -20.021 -20.021 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.113e-11 + H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 +Hto 9.533e-21 + Hto 9.533e-21 9.533e-21 -20.021 -20.021 0.000 (0) I 8.620e-22 I- 8.620e-22 8.620e-22 -21.065 -21.065 -0.000 (0) K 1.540e-03 @@ -200014,16 +198976,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.494e-25 - Nat+ 8.494e-25 8.494e-25 -24.071 -24.071 -0.000 (0) +Nat 8.490e-25 + Nat+ 8.490e-25 8.490e-25 -24.071 -24.071 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.541 -70.504 0.036 30.40 -S(-2) 6.726e-08 - HS- 4.705e-08 3.097e-08 -7.327 -7.509 -0.182 21.14 - H2S 2.021e-08 2.198e-08 -7.694 -7.658 0.036 36.27 - S-2 1.913e-13 4.610e-14 -12.718 -13.336 -0.618 (0) - (H2S)2 2.341e-17 2.545e-17 -16.631 -16.594 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 +S(-2) 6.881e-08 + HS- 4.813e-08 3.169e-08 -7.318 -7.499 -0.182 21.14 + H2S 2.068e-08 2.248e-08 -7.685 -7.648 0.036 36.27 + S-2 1.957e-13 4.717e-14 -12.708 -13.326 -0.618 (0) + (H2S)2 2.449e-17 2.663e-17 -16.611 -16.575 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -200032,13 +198993,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -200050,21 +199011,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -200094,18 +199055,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -200119,8 +199080,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -200144,8 +199105,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -200165,16 +199126,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -200201,21 +199161,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -200243,18 +199203,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -200268,8 +199228,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -200293,8 +199253,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -200314,16 +199274,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -200350,21 +199309,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -200401,18 +199360,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.060 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.059 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.026e-12 + Electrical balance (eq) = -9.856e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -200426,8 +199385,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.635e-12 - CH4 3.635e-12 3.952e-12 -11.439 -11.403 0.036 35.46 +C(-4) 3.555e-12 + CH4 3.555e-12 3.865e-12 -11.449 -11.413 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -200451,8 +199410,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.133e-11 - H2 5.666e-12 6.160e-12 -11.247 -11.210 0.036 28.61 +H(0) 1.127e-11 + H2 5.634e-12 6.125e-12 -11.249 -11.213 0.036 28.61 Hto 5.133e-07 Hto 5.133e-07 5.133e-07 -6.290 -6.290 0.000 (0) I 6.964e-07 @@ -200472,16 +199431,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.839e-07 Nat+ 2.839e-07 2.839e-07 -6.547 -6.547 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.004 -69.968 0.036 30.40 -S(-2) 5.699e-09 - HS- 3.984e-09 2.623e-09 -8.400 -8.581 -0.182 21.14 - H2S 1.714e-09 1.864e-09 -8.766 -8.730 0.036 36.27 - S-2 1.617e-14 3.898e-15 -13.791 -14.409 -0.618 (0) - (H2S)2 1.684e-19 1.830e-19 -18.774 -18.737 0.036 30.09 + O2 0.000e+00 0.000e+00 -69.999 -69.963 0.036 30.40 +S(-2) 5.572e-09 + HS- 3.896e-09 2.565e-09 -8.409 -8.591 -0.182 21.14 + H2S 1.676e-09 1.822e-09 -8.776 -8.739 0.036 36.27 + S-2 1.581e-14 3.812e-15 -13.801 -14.419 -0.618 (0) + (H2S)2 1.610e-19 1.750e-19 -18.793 -18.757 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -200508,21 +199466,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.60 -11.40 -2.80 CH4 + CH4(g) -8.61 -11.41 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.11 -11.21 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.74 -15.67 -7.94 H2S + H2S(g) -7.74 -15.68 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.08 -69.97 -2.89 O2 + O2(g) -67.07 -69.96 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.55 -0.67 4.88 S + Sulfur -5.56 -0.68 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -200546,7 +199504,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -5.085e-14 Surface + diffuse layer charge, eq + -5.007e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -200556,7 +199514,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -200565,14 +199523,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6648e-10 + Cl 4.6649e-10 H 1.2948e-04 Hto 5.3368e-08 I 7.2342e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5138e-07 + Nat 1.5139e-07 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -200603,18 +199561,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.111 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.110 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.945e-09 + Electrical balance (eq) = 1.678e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -200628,18 +199586,18 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.227e-12 - CH4 9.227e-12 1.003e-11 -11.035 -10.999 0.036 35.46 +C(-4) 9.173e-12 + CH4 9.173e-12 9.973e-12 -11.038 -11.001 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.628e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 - CO3-2 3.380e-06 8.603e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.380e-06 8.602e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.531e-08 7.101e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.277e-09 1.389e-09 -8.894 -8.857 0.036 68.87 @@ -200647,14 +199605,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 + CaCO3 9.010e-06 9.795e-06 -5.045 -5.009 0.036 -14.60 CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.430e-11 - H2 7.152e-12 7.776e-12 -11.146 -11.109 0.036 28.61 +H(0) 1.428e-11 + H2 7.141e-12 7.764e-12 -11.146 -11.110 0.036 28.61 Hto 4.523e-07 Hto 4.523e-07 4.523e-07 -6.345 -6.345 0.000 (0) I 6.141e-07 @@ -200674,16 +199632,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.576e-07 Nat+ 2.576e-07 2.576e-07 -6.589 -6.589 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.207 -70.170 0.036 30.40 -S(-2) 1.446e-08 - HS- 1.011e-08 6.658e-09 -7.995 -8.177 -0.182 21.14 - H2S 4.350e-09 4.730e-09 -8.361 -8.325 0.036 36.27 - S-2 4.106e-14 9.897e-15 -13.387 -14.005 -0.618 (0) - (H2S)2 1.084e-18 1.179e-18 -17.965 -17.929 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.205 -70.169 0.036 30.40 +S(-2) 1.438e-08 + HS- 1.005e-08 6.618e-09 -7.998 -8.179 -0.182 21.14 + H2S 4.325e-09 4.702e-09 -8.364 -8.328 0.036 36.27 + S-2 4.081e-14 9.838e-15 -13.389 -14.007 -0.618 (0) + (H2S)2 1.071e-18 1.165e-18 -17.970 -17.934 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -200758,7 +199715,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -200770,11 +199727,11 @@ Su Cl 4.6611e-10 H 1.2950e-04 Hto 3.5084e-08 - I 4.3946e-20 + I 4.3940e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.9557e-08 + Nat 8.9556e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -200806,18 +199763,18 @@ Su pH = 7.091 Charge balance pe = -3.174 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.008e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.379e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -200830,8 +199787,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.119e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 2.952e-11 - CH4 2.952e-11 3.210e-11 -10.530 -10.493 0.036 35.46 +C(-4) 2.959e-11 + CH4 2.959e-11 3.217e-11 -10.529 -10.492 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -200855,8 +199812,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.913e-11 - H2 9.567e-12 1.040e-11 -11.019 -10.983 0.036 28.61 +H(0) 1.914e-11 + H2 9.572e-12 1.041e-11 -11.019 -10.983 0.036 28.61 Hto 2.973e-07 Hto 2.973e-07 2.973e-07 -6.527 -6.527 0.000 (0) I 3.730e-07 @@ -200876,16 +199833,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.524e-07 Nat+ 1.524e-07 1.524e-07 -6.817 -6.817 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.459 -70.423 0.036 30.40 -S(-2) 4.626e-08 - HS- 3.235e-08 2.130e-08 -7.490 -7.672 -0.182 21.14 - H2S 1.391e-08 1.512e-08 -7.857 -7.820 0.036 36.27 - S-2 1.315e-13 3.169e-14 -12.881 -13.499 -0.618 (0) - (H2S)2 1.108e-17 1.205e-17 -16.955 -16.919 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.460 -70.423 0.036 30.40 +S(-2) 4.637e-08 + HS- 3.243e-08 2.135e-08 -7.489 -7.671 -0.182 21.14 + H2S 1.394e-08 1.515e-08 -7.856 -7.819 0.036 36.27 + S-2 1.318e-13 3.176e-14 -12.880 -13.498 -0.618 (0) + (H2S)2 1.113e-17 1.210e-17 -16.953 -16.917 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -200919,7 +199875,7 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.83 -14.76 -7.94 H2S + H2S(g) -6.82 -14.76 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -200950,7 +199906,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.864e-11 Surface + diffuse layer charge, eq + -9.868e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -200960,7 +199916,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -200969,14 +199925,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6595e-10 + Cl 4.6594e-10 H 1.2950e-04 Hto 1.9272e-08 - I 2.1970e-20 + I 2.1973e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9306e-08 + Nat 3.9305e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -201000,7 +199956,7 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.688e-08 7.880e-09 + Nat 6.688e-08 7.879e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 @@ -201008,17 +199964,17 @@ Su pH = 7.091 Charge balance pe = -3.189 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.936e-09 + Electrical balance (eq) = -2.287e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -201032,14 +199988,14 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.847e-11 - CH4 3.847e-11 4.182e-11 -10.415 -10.379 0.036 35.46 +C(-4) 3.879e-11 + CH4 3.879e-11 4.217e-11 -10.411 -10.375 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 @@ -201050,15 +200006,15 @@ C(4) 2.744e-03 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 - CaHCO3+ 5.386e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 + CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.021e-06 9.808e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.637e-09 -8.404 -8.249 0.155 (0) -H(0) 2.044e-11 - H2 1.022e-11 1.111e-11 -10.990 -10.954 0.036 28.61 + HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) +H(0) 2.049e-11 + H2 1.024e-11 1.114e-11 -10.990 -10.953 0.036 28.61 Hto 1.633e-07 Hto 1.633e-07 1.633e-07 -6.787 -6.787 0.000 (0) I 1.865e-07 @@ -201078,16 +200034,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 6.688e-08 Nat+ 6.688e-08 6.688e-08 -7.175 -7.175 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.517 -70.480 0.036 30.40 -S(-2) 6.027e-08 - HS- 4.215e-08 2.775e-08 -7.375 -7.557 -0.182 21.14 - H2S 1.811e-08 1.969e-08 -7.742 -7.706 0.036 36.27 - S-2 1.713e-13 4.130e-14 -12.766 -13.384 -0.618 (0) - (H2S)2 1.879e-17 2.043e-17 -16.726 -16.690 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.519 -70.482 0.036 30.40 +S(-2) 6.077e-08 + HS- 4.250e-08 2.798e-08 -7.372 -7.553 -0.182 21.14 + H2S 1.826e-08 1.986e-08 -7.738 -7.702 0.036 36.27 + S-2 1.728e-13 4.164e-14 -12.763 -13.380 -0.618 (0) + (H2S)2 1.911e-17 2.077e-17 -16.719 -16.682 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -201114,14 +200069,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.58 -10.38 -2.80 CH4 + CH4(g) -7.57 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.71 -14.65 -7.94 H2S + H2S(g) -6.71 -14.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -201152,7 +200107,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.921e-11 Surface + diffuse layer charge, eq + -9.938e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -201162,7 +200117,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -201171,10 +200126,10 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6589e-10 + Cl 4.6588e-10 H 1.2950e-04 - Hto 8.9108e-09 - I 9.1221e-21 + Hto 8.9106e-09 + I 9.1205e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -201197,7 +200152,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.552e-08 8.896e-09 + Hto 7.551e-08 8.896e-09 I 7.740e-08 9.119e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -201210,17 +200165,17 @@ Su pH = 7.091 Charge balance pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.945e-09 + Electrical balance (eq) = -2.296e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -201234,8 +200189,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.207e-11 - CH4 4.207e-11 4.574e-11 -10.376 -10.340 0.036 35.46 +C(-4) 4.268e-11 + CH4 4.268e-11 4.640e-11 -10.370 -10.333 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -201245,10 +200200,10 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 @@ -201259,10 +200214,10 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.091e-11 - H2 1.045e-11 1.137e-11 -10.981 -10.944 0.036 28.61 -Hto 7.552e-08 - Hto 7.552e-08 7.552e-08 -7.122 -7.122 0.000 (0) +H(0) 2.098e-11 + H2 1.049e-11 1.141e-11 -10.979 -10.943 0.036 28.61 +Hto 7.551e-08 + Hto 7.551e-08 7.551e-08 -7.122 -7.122 0.000 (0) I 7.740e-08 I- 7.740e-08 7.740e-08 -7.111 -7.111 -0.000 (0) K 1.540e-03 @@ -201280,16 +200235,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.275e-08 Nat+ 2.275e-08 2.275e-08 -7.643 -7.643 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.536 -70.500 0.036 30.40 -S(-2) 6.591e-08 - HS- 4.610e-08 3.035e-08 -7.336 -7.518 -0.182 21.14 - H2S 1.981e-08 2.153e-08 -7.703 -7.667 0.036 36.27 - S-2 1.874e-13 4.517e-14 -12.727 -13.345 -0.618 (0) - (H2S)2 2.247e-17 2.443e-17 -16.648 -16.612 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.539 -70.503 0.036 30.40 +S(-2) 6.686e-08 + HS- 4.677e-08 3.079e-08 -7.330 -7.512 -0.182 21.14 + H2S 2.009e-08 2.184e-08 -7.697 -7.661 0.036 36.27 + S-2 1.901e-13 4.582e-14 -12.721 -13.339 -0.618 (0) + (H2S)2 2.312e-17 2.514e-17 -16.636 -16.600 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -201316,14 +200270,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.54 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.67 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -201354,7 +200308,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.913e-11 Surface + diffuse layer charge, eq + -9.939e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -201364,7 +200318,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -201373,14 +200327,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6585e-10 H 1.2950e-04 - Hto 3.5028e-09 - I 3.1822e-21 + Hto 3.5027e-09 + I 3.1818e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.6519e-09 + Nat 3.6517e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -201399,30 +200353,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.969e-08 3.497e-09 + Hto 2.968e-08 3.497e-09 I 2.701e-08 3.182e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.214e-09 7.321e-10 + Nat 6.214e-09 7.320e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.941e-09 + Electrical balance (eq) = -2.294e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -201434,10 +200388,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.331e-11 - CH4 4.331e-11 4.709e-11 -10.363 -10.327 0.036 35.46 +C(-4) 4.413e-11 + CH4 4.413e-11 4.798e-11 -10.355 -10.319 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -201446,8 +200400,8 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 @@ -201460,11 +200414,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.106e-11 - H2 1.053e-11 1.145e-11 -10.978 -10.941 0.036 28.61 -Hto 2.969e-08 - Hto 2.969e-08 2.969e-08 -7.527 -7.527 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.116e-11 + H2 1.058e-11 1.150e-11 -10.976 -10.939 0.036 28.61 +Hto 2.968e-08 + Hto 2.968e-08 2.968e-08 -7.527 -7.527 0.000 (0) I 2.701e-08 I- 2.701e-08 2.701e-08 -7.569 -7.569 -0.000 (0) K 1.540e-03 @@ -201476,22 +200430,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 6.214e-09 Nat+ 6.214e-09 6.214e-09 -8.207 -8.207 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.543 -70.506 0.036 30.40 -S(-2) 6.786e-08 - HS- 4.747e-08 3.125e-08 -7.324 -7.505 -0.182 21.14 - H2S 2.039e-08 2.217e-08 -7.691 -7.654 0.036 36.27 - S-2 1.929e-13 4.651e-14 -12.715 -13.332 -0.618 (0) - (H2S)2 2.382e-17 2.590e-17 -16.623 -16.587 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.547 -70.510 0.036 30.40 +S(-2) 6.913e-08 + HS- 4.836e-08 3.184e-08 -7.316 -7.497 -0.182 21.14 + H2S 2.077e-08 2.259e-08 -7.682 -7.646 0.036 36.27 + S-2 1.966e-13 4.739e-14 -12.706 -13.324 -0.618 (0) + (H2S)2 2.472e-17 2.688e-17 -16.607 -16.571 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -201500,14 +200453,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -201518,19 +200471,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.51 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -201556,7 +200509,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.898e-11 Surface + diffuse layer charge, eq + -9.925e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -201566,7 +200519,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -201575,14 +200528,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6585e-10 H 1.2950e-04 Hto 1.1830e-09 - I 9.4505e-22 + I 9.4526e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.2350e-10 + Nat 8.2342e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -201613,18 +200566,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.937e-09 + Electrical balance (eq) = -2.291e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -201638,18 +200591,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.361e-11 - CH4 4.361e-11 4.742e-11 -10.360 -10.324 0.036 35.46 +C(-4) 4.454e-11 + CH4 4.454e-11 4.842e-11 -10.351 -10.315 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 @@ -201657,14 +200610,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.110e-11 - H2 1.055e-11 1.147e-11 -10.977 -10.941 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.121e-11 + H2 1.060e-11 1.153e-11 -10.975 -10.938 0.036 28.61 Hto 1.003e-08 Hto 1.003e-08 1.003e-08 -7.999 -7.999 0.000 (0) I 8.022e-09 @@ -201678,22 +200631,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.401e-09 - Nat+ 1.401e-09 1.401e-09 -8.853 -8.853 -0.000 (0) + Nat+ 1.401e-09 1.401e-09 -8.854 -8.854 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.544 -70.508 0.036 30.40 -S(-2) 6.832e-08 - HS- 4.779e-08 3.146e-08 -7.321 -7.502 -0.182 21.14 - H2S 2.053e-08 2.232e-08 -7.688 -7.651 0.036 36.27 - S-2 1.943e-13 4.683e-14 -12.712 -13.329 -0.618 (0) - (H2S)2 2.415e-17 2.626e-17 -16.617 -16.581 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.549 -70.512 0.036 30.40 +S(-2) 6.977e-08 + HS- 4.881e-08 3.213e-08 -7.312 -7.493 -0.182 21.14 + H2S 2.097e-08 2.279e-08 -7.678 -7.642 0.036 36.27 + S-2 1.984e-13 4.783e-14 -12.702 -13.320 -0.618 (0) + (H2S)2 2.518e-17 2.738e-17 -16.599 -16.563 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -201702,14 +200654,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -201720,21 +200672,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.59 -7.94 H2S + H2S(g) -6.65 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.74 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -201758,7 +200710,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.885e-11 Surface + diffuse layer charge, eq + -9.913e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -201768,7 +200720,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -201777,14 +200729,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6585e-10 H 1.2950e-04 - Hto 3.4670e-10 - I 2.4190e-22 + Hto 3.4668e-10 + I 2.4195e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5658e-10 + Nat 1.5657e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -201815,18 +200767,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.935e-09 + Electrical balance (eq) = -2.288e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -201840,18 +200792,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.354e-11 - CH4 4.354e-11 4.734e-11 -10.361 -10.325 0.036 35.46 +C(-4) 4.451e-11 + CH4 4.451e-11 4.839e-11 -10.352 -10.315 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 @@ -201859,14 +200811,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.109e-11 - H2 1.054e-11 1.146e-11 -10.977 -10.941 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.120e-11 + H2 1.060e-11 1.153e-11 -10.975 -10.938 0.036 28.61 Hto 2.938e-09 Hto 2.938e-09 2.938e-09 -8.532 -8.532 0.000 (0) I 2.053e-09 @@ -201880,22 +200832,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.664e-10 Nat+ 2.664e-10 2.664e-10 -9.574 -9.574 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.544 -70.507 0.036 30.40 -S(-2) 6.821e-08 - HS- 4.771e-08 3.141e-08 -7.321 -7.503 -0.182 21.14 - H2S 2.050e-08 2.228e-08 -7.688 -7.652 0.036 36.27 - S-2 1.939e-13 4.675e-14 -12.712 -13.330 -0.618 (0) - (H2S)2 2.407e-17 2.617e-17 -16.619 -16.582 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.549 -70.512 0.036 30.40 +S(-2) 6.972e-08 + HS- 4.877e-08 3.211e-08 -7.312 -7.493 -0.182 21.14 + H2S 2.095e-08 2.278e-08 -7.679 -7.642 0.036 36.27 + S-2 1.983e-13 4.779e-14 -12.703 -13.321 -0.618 (0) + (H2S)2 2.515e-17 2.734e-17 -16.600 -16.563 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -201904,14 +200855,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -201922,21 +200873,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.59 -7.94 H2S + H2S(g) -6.65 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.74 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -201960,7 +200911,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.873e-11 Surface + diffuse layer charge, eq + -9.901e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -201970,7 +200921,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -201979,14 +200930,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6585e-10 H 1.2950e-04 - Hto 8.8957e-11 - I 5.3902e-23 + Hto 8.8950e-11 + I 5.3909e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5526e-11 + Nat 2.5522e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -202005,30 +200956,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.539e-10 8.881e-11 + Hto 7.538e-10 8.881e-11 I 4.575e-10 5.390e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.344e-11 5.117e-12 + Nat 4.343e-11 5.116e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.418e-09 + Electrical balance (eq) = -1.773e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -202040,37 +200991,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.333e-11 - CH4 4.333e-11 4.711e-11 -10.363 -10.327 0.036 35.46 +C(-4) 4.432e-11 + CH4 4.432e-11 4.818e-11 -10.353 -10.317 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.106e-11 - H2 1.053e-11 1.145e-11 -10.978 -10.941 0.036 28.61 -Hto 7.539e-10 - Hto 7.539e-10 7.539e-10 -9.123 -9.123 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.118e-11 + H2 1.059e-11 1.151e-11 -10.975 -10.939 0.036 28.61 +Hto 7.538e-10 + Hto 7.538e-10 7.538e-10 -9.123 -9.123 0.000 (0) I 4.575e-10 I- 4.575e-10 4.575e-10 -9.340 -9.340 -0.000 (0) K 1.540e-03 @@ -202082,22 +201033,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.344e-11 - Nat+ 4.344e-11 4.344e-11 -10.362 -10.362 -0.000 (0) +Nat 4.343e-11 + Nat+ 4.343e-11 4.343e-11 -10.362 -10.362 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.543 -70.506 0.036 30.40 -S(-2) 6.789e-08 - HS- 4.749e-08 3.126e-08 -7.323 -7.505 -0.182 21.14 - H2S 2.040e-08 2.218e-08 -7.690 -7.654 0.036 36.27 - S-2 1.930e-13 4.653e-14 -12.714 -13.332 -0.618 (0) - (H2S)2 2.384e-17 2.592e-17 -16.623 -16.586 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.548 -70.511 0.036 30.40 +S(-2) 6.942e-08 + HS- 4.856e-08 3.197e-08 -7.314 -7.495 -0.182 21.14 + H2S 2.086e-08 2.268e-08 -7.681 -7.644 0.036 36.27 + S-2 1.974e-13 4.759e-14 -12.705 -13.323 -0.618 (0) + (H2S)2 2.493e-17 2.711e-17 -16.603 -16.567 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -202106,14 +201056,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -202124,19 +201074,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.51 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -202162,7 +201112,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.865e-11 Surface + diffuse layer charge, eq + -9.892e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -202172,7 +201122,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -202181,14 +201131,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 2.0142e-11 + Hto 2.0140e-11 I 1.0553e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.6144e-12 + Nat 3.6138e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -202212,25 +201162,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.150e-12 7.246e-13 + Nat 6.149e-12 7.244e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.367e-09 + Electrical balance (eq) = -1.721e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -202242,10 +201192,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.315e-11 - CH4 4.315e-11 4.692e-11 -10.365 -10.329 0.036 35.46 +C(-4) 4.414e-11 + CH4 4.414e-11 4.799e-11 -10.355 -10.319 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -202254,10 +201204,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -202268,9 +201218,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.104e-11 - H2 1.052e-11 1.144e-11 -10.978 -10.942 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.116e-11 + H2 1.058e-11 1.150e-11 -10.976 -10.939 0.036 28.61 Hto 1.707e-10 Hto 1.707e-10 1.707e-10 -9.768 -9.768 0.000 (0) I 8.958e-11 @@ -202284,22 +201234,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.150e-12 - Nat+ 6.150e-12 6.150e-12 -11.211 -11.211 -0.000 (0) +Nat 6.149e-12 + Nat+ 6.149e-12 6.149e-12 -11.211 -11.211 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.542 -70.505 0.036 30.40 -S(-2) 6.760e-08 - HS- 4.729e-08 3.113e-08 -7.325 -7.507 -0.182 21.14 - H2S 2.031e-08 2.209e-08 -7.692 -7.656 0.036 36.27 - S-2 1.922e-13 4.634e-14 -12.716 -13.334 -0.618 (0) - (H2S)2 2.364e-17 2.571e-17 -16.626 -16.590 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.547 -70.510 0.036 30.40 +S(-2) 6.915e-08 + HS- 4.837e-08 3.184e-08 -7.315 -7.497 -0.182 21.14 + H2S 2.078e-08 2.259e-08 -7.682 -7.646 0.036 36.27 + S-2 1.966e-13 4.740e-14 -12.706 -13.324 -0.618 (0) + (H2S)2 2.473e-17 2.689e-17 -16.607 -16.570 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -202308,13 +201257,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -202326,21 +201275,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.51 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.14 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -202364,7 +201313,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.860e-11 Surface + diffuse layer charge, eq + -9.888e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -202374,7 +201323,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -202383,14 +201332,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 4.0521e-12 - I 1.8297e-24 + Hto 4.0516e-12 + I 1.8292e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.4926e-13 + Nat 4.4917e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -202409,30 +201358,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.434e-11 4.046e-12 + Hto 3.434e-11 4.045e-12 I 1.553e-11 1.829e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.645e-13 9.006e-14 + Nat 7.643e-13 9.004e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.823e-09 + Electrical balance (eq) = -2.176e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -202444,10 +201393,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.308e-11 - CH4 4.308e-11 4.683e-11 -10.366 -10.329 0.036 35.46 +C(-4) 4.406e-11 + CH4 4.406e-11 4.791e-11 -10.356 -10.320 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -202456,10 +201405,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -202470,9 +201419,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.103e-11 - H2 1.052e-11 1.143e-11 -10.978 -10.942 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.115e-11 + H2 1.058e-11 1.150e-11 -10.976 -10.939 0.036 28.61 Hto 3.434e-11 Hto 3.434e-11 3.434e-11 -10.464 -10.464 0.000 (0) I 1.553e-11 @@ -202486,22 +201435,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 7.645e-13 - Nat+ 7.645e-13 7.645e-13 -12.117 -12.117 -0.000 (0) +Nat 7.643e-13 + Nat+ 7.643e-13 7.643e-13 -12.117 -12.117 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.541 -70.505 0.036 30.40 -S(-2) 6.748e-08 - HS- 4.720e-08 3.107e-08 -7.326 -7.508 -0.182 21.14 - H2S 2.028e-08 2.205e-08 -7.693 -7.657 0.036 36.27 - S-2 1.919e-13 4.625e-14 -12.717 -13.335 -0.618 (0) - (H2S)2 2.356e-17 2.561e-17 -16.628 -16.592 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.546 -70.510 0.036 30.40 +S(-2) 6.903e-08 + HS- 4.829e-08 3.179e-08 -7.316 -7.498 -0.182 21.14 + H2S 2.074e-08 2.255e-08 -7.683 -7.647 0.036 36.27 + S-2 1.963e-13 4.731e-14 -12.707 -13.325 -0.618 (0) + (H2S)2 2.465e-17 2.680e-17 -16.608 -16.572 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -202510,13 +201458,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -202528,21 +201476,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.51 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.14 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -202566,7 +201514,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.859e-11 Surface + diffuse layer charge, eq + -9.888e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -202576,7 +201524,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -202585,14 +201533,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 7.2856e-13 - I 2.8268e-25 + Hto 7.2847e-13 + I 2.8263e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9437e-14 + Nat 4.9426e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -202611,30 +201559,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.174e-12 7.274e-13 + Hto 6.173e-12 7.273e-13 I 2.399e-12 2.826e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.412e-14 9.910e-15 + Nat 8.410e-14 9.908e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.837e-09 + Electrical balance (eq) = -2.190e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -202646,10 +201594,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.313e-11 - CH4 4.313e-11 4.689e-11 -10.365 -10.329 0.036 35.46 +C(-4) 4.412e-11 + CH4 4.412e-11 4.797e-11 -10.355 -10.319 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -202658,10 +201606,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -202672,11 +201620,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.104e-11 - H2 1.052e-11 1.144e-11 -10.978 -10.942 0.036 28.61 -Hto 6.174e-12 - Hto 6.174e-12 6.174e-12 -11.209 -11.209 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.116e-11 + H2 1.058e-11 1.150e-11 -10.976 -10.939 0.036 28.61 +Hto 6.173e-12 + Hto 6.173e-12 6.173e-12 -11.209 -11.209 0.000 (0) I 2.399e-12 I- 2.399e-12 2.399e-12 -11.620 -11.620 -0.000 (0) K 1.540e-03 @@ -202688,22 +201636,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.412e-14 - Nat+ 8.412e-14 8.412e-14 -13.075 -13.075 -0.000 (0) +Nat 8.410e-14 + Nat+ 8.410e-14 8.410e-14 -13.075 -13.075 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.542 -70.505 0.036 30.40 -S(-2) 6.757e-08 - HS- 4.726e-08 3.111e-08 -7.325 -7.507 -0.182 21.14 - H2S 2.030e-08 2.208e-08 -7.692 -7.656 0.036 36.27 - S-2 1.921e-13 4.631e-14 -12.716 -13.334 -0.618 (0) - (H2S)2 2.362e-17 2.568e-17 -16.627 -16.590 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.547 -70.510 0.036 30.40 +S(-2) 6.911e-08 + HS- 4.835e-08 3.183e-08 -7.316 -7.497 -0.182 21.14 + H2S 2.077e-08 2.258e-08 -7.683 -7.646 0.036 36.27 + S-2 1.965e-13 4.737e-14 -12.707 -13.324 -0.618 (0) + (H2S)2 2.471e-17 2.687e-17 -16.607 -16.571 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -202712,13 +201659,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -202730,21 +201677,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.51 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.14 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -202768,7 +201715,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.867e-11 Surface + diffuse layer charge, eq + -9.895e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -202778,7 +201725,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -202787,14 +201734,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6585e-10 H 1.2950e-04 - Hto 1.1767e-13 - I 3.9134e-26 + Hto 1.1765e-13 + I 3.9128e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8500e-15 + Nat 4.8488e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -202813,30 +201760,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.972e-13 1.175e-13 + Hto 9.970e-13 1.175e-13 I 3.321e-13 3.913e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.253e-15 9.723e-16 + Nat 8.251e-15 9.720e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.196 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.462e-10 + Electrical balance (eq) = -6.997e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -202848,10 +201795,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.331e-11 - CH4 4.331e-11 4.709e-11 -10.363 -10.327 0.036 35.46 +C(-4) 4.430e-11 + CH4 4.430e-11 4.817e-11 -10.354 -10.317 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -202860,10 +201807,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -202874,11 +201821,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.106e-11 - H2 1.053e-11 1.145e-11 -10.978 -10.941 0.036 28.61 -Hto 9.972e-13 - Hto 9.972e-13 9.972e-13 -12.001 -12.001 0.000 (0) + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.118e-11 + H2 1.059e-11 1.151e-11 -10.975 -10.939 0.036 28.61 +Hto 9.970e-13 + Hto 9.970e-13 9.970e-13 -12.001 -12.001 0.000 (0) I 3.321e-13 I- 3.321e-13 3.321e-13 -12.479 -12.479 -0.000 (0) K 1.540e-03 @@ -202890,22 +201837,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.253e-15 - Nat+ 8.253e-15 8.253e-15 -14.083 -14.083 -0.000 (0) +Nat 8.251e-15 + Nat+ 8.251e-15 8.251e-15 -14.084 -14.084 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.543 -70.506 0.036 30.40 -S(-2) 6.786e-08 - HS- 4.747e-08 3.125e-08 -7.324 -7.505 -0.182 21.14 - H2S 2.039e-08 2.217e-08 -7.691 -7.654 0.036 36.27 - S-2 1.929e-13 4.651e-14 -12.715 -13.332 -0.618 (0) - (H2S)2 2.382e-17 2.590e-17 -16.623 -16.587 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.548 -70.511 0.036 30.40 +S(-2) 6.940e-08 + HS- 4.855e-08 3.196e-08 -7.314 -7.495 -0.182 21.14 + H2S 2.085e-08 2.267e-08 -7.681 -7.644 0.036 36.27 + S-2 1.974e-13 4.757e-14 -12.705 -13.323 -0.618 (0) + (H2S)2 2.492e-17 2.709e-17 -16.604 -16.567 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -202914,14 +201860,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -202932,19 +201878,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.65 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.51 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -202970,7 +201916,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.875e-11 Surface + diffuse layer charge, eq + -9.903e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -202980,7 +201926,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -202989,14 +201935,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6585e-10 H 1.2950e-04 - Hto 1.7144e-14 - I 4.8791e-27 + Hto 1.7142e-14 + I 4.8783e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2666e-16 + Nat 4.2654e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -203015,30 +201961,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.453e-13 1.712e-14 + Hto 1.453e-13 1.711e-14 I 4.140e-14 4.878e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.260e-16 8.553e-17 + Nat 7.258e-16 8.551e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.932e-09 + Electrical balance (eq) = -2.286e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -203052,18 +201998,18 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.357e-11 - CH4 4.357e-11 4.737e-11 -10.361 -10.325 0.036 35.46 +C(-4) 4.456e-11 + CH4 4.456e-11 4.844e-11 -10.351 -10.315 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 @@ -203071,14 +202017,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.109e-11 - H2 1.055e-11 1.147e-11 -10.977 -10.941 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.121e-11 + H2 1.060e-11 1.153e-11 -10.975 -10.938 0.036 28.61 Hto 1.453e-13 Hto 1.453e-13 1.453e-13 -12.838 -12.838 0.000 (0) I 4.140e-14 @@ -203092,22 +202038,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 7.260e-16 - Nat+ 7.260e-16 7.260e-16 -15.139 -15.139 -0.000 (0) +Nat 7.258e-16 + Nat+ 7.258e-16 7.258e-16 -15.139 -15.139 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.544 -70.508 0.036 30.40 -S(-2) 6.825e-08 - HS- 4.774e-08 3.143e-08 -7.321 -7.503 -0.182 21.14 - H2S 2.051e-08 2.230e-08 -7.688 -7.652 0.036 36.27 - S-2 1.941e-13 4.678e-14 -12.712 -13.330 -0.618 (0) - (H2S)2 2.410e-17 2.620e-17 -16.618 -16.582 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.549 -70.512 0.036 30.40 +S(-2) 6.980e-08 + HS- 4.883e-08 3.214e-08 -7.311 -7.493 -0.182 21.14 + H2S 2.097e-08 2.280e-08 -7.678 -7.642 0.036 36.27 + S-2 1.985e-13 4.784e-14 -12.702 -13.320 -0.618 (0) + (H2S)2 2.520e-17 2.740e-17 -16.599 -16.562 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -203116,14 +202061,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -203134,21 +202079,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.59 -7.94 H2S + H2S(g) -6.65 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.74 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -203172,7 +202117,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.882e-11 Surface + diffuse layer charge, eq + -9.910e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -203182,7 +202127,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -203191,14 +202136,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 2.2619e-15 - I 5.4974e-28 + Hto 2.2615e-15 + I 5.4984e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3818e-17 + Nat 3.3807e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -203217,30 +202162,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.917e-14 2.258e-15 + Hto 1.916e-14 2.258e-15 I 4.667e-15 5.498e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.754e-17 6.779e-18 + Nat 5.753e-17 6.777e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.935e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -203252,20 +202197,20 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.378e-11 - CH4 4.378e-11 4.760e-11 -10.359 -10.322 0.036 35.46 +C(-4) 4.477e-11 + CH4 4.477e-11 4.867e-11 -10.349 -10.313 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 @@ -203273,16 +202218,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.112e-11 - H2 1.056e-11 1.148e-11 -10.976 -10.940 0.036 28.61 -Hto 1.917e-14 - Hto 1.917e-14 1.917e-14 -13.717 -13.717 0.000 (0) +H(0) 2.123e-11 + H2 1.062e-11 1.154e-11 -10.974 -10.938 0.036 28.61 +Hto 1.916e-14 + Hto 1.916e-14 1.916e-14 -13.717 -13.717 0.000 (0) I 4.667e-15 I- 4.667e-15 4.667e-15 -14.331 -14.331 -0.000 (0) K 1.540e-03 @@ -203294,22 +202239,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.754e-17 - Nat+ 5.754e-17 5.754e-17 -16.240 -16.240 -0.000 (0) +Nat 5.753e-17 + Nat+ 5.753e-17 5.753e-17 -16.240 -16.240 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.545 -70.509 0.036 30.40 -S(-2) 6.858e-08 - HS- 4.797e-08 3.158e-08 -7.319 -7.501 -0.182 21.14 - H2S 2.061e-08 2.241e-08 -7.686 -7.650 0.036 36.27 - S-2 1.950e-13 4.701e-14 -12.710 -13.328 -0.618 (0) - (H2S)2 2.433e-17 2.645e-17 -16.614 -16.578 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.550 -70.513 0.036 30.40 +S(-2) 7.013e-08 + HS- 4.905e-08 3.229e-08 -7.309 -7.491 -0.182 21.14 + H2S 2.107e-08 2.291e-08 -7.676 -7.640 0.036 36.27 + S-2 1.994e-13 4.807e-14 -12.700 -13.318 -0.618 (0) + (H2S)2 2.544e-17 2.766e-17 -16.595 -16.558 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -203325,7 +202269,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -203336,21 +202280,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.59 -7.94 H2S + H2S(g) -6.65 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -203374,7 +202318,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.885e-11 Surface + diffuse layer charge, eq + -9.913e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -203384,7 +202328,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -203393,14 +202337,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 2.7105e-16 + Hto 2.7099e-16 I 5.6206e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4247e-18 + Nat 2.4239e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -203424,25 +202368,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.126e-18 4.861e-19 + Nat 4.124e-18 4.859e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.936e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -203454,19 +202398,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.389e-11 - CH4 4.389e-11 4.772e-11 -10.358 -10.321 0.036 35.46 +C(-4) 4.488e-11 + CH4 4.488e-11 4.880e-11 -10.348 -10.312 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -203475,14 +202419,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.113e-11 - H2 1.056e-11 1.149e-11 -10.976 -10.940 0.036 28.61 +H(0) 2.125e-11 + H2 1.062e-11 1.155e-11 -10.974 -10.937 0.036 28.61 Hto 2.297e-15 Hto 2.297e-15 2.297e-15 -14.639 -14.639 0.000 (0) I 4.771e-16 @@ -203496,22 +202440,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.126e-18 - Nat+ 4.126e-18 4.126e-18 -17.384 -17.384 -0.000 (0) +Nat 4.124e-18 + Nat+ 4.124e-18 4.124e-18 -17.385 -17.385 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.545 -70.509 0.036 30.40 -S(-2) 6.876e-08 - HS- 4.810e-08 3.166e-08 -7.318 -7.499 -0.182 21.14 - H2S 2.066e-08 2.246e-08 -7.685 -7.648 0.036 36.27 - S-2 1.955e-13 4.713e-14 -12.709 -13.327 -0.618 (0) - (H2S)2 2.446e-17 2.659e-17 -16.612 -16.575 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.550 -70.514 0.036 30.40 +S(-2) 7.031e-08 + HS- 4.918e-08 3.238e-08 -7.308 -7.490 -0.182 21.14 + H2S 2.113e-08 2.297e-08 -7.675 -7.639 0.036 36.27 + S-2 1.999e-13 4.819e-14 -12.699 -13.317 -0.618 (0) + (H2S)2 2.557e-17 2.780e-17 -16.592 -16.556 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -203527,7 +202470,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -203538,21 +202481,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -203576,7 +202519,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.886e-11 Surface + diffuse layer charge, eq + -9.914e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -203586,7 +202529,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -203595,14 +202538,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 2.9580e-17 - I 5.2277e-30 + Hto 2.9573e-17 + I 5.2285e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5778e-19 + Nat 1.5772e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -203621,30 +202564,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.507e-16 2.953e-17 + Hto 2.506e-16 2.953e-17 I 4.437e-17 5.227e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.685e-19 3.163e-20 + Nat 2.684e-19 3.162e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.936e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -203656,19 +202599,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.394e-11 - CH4 4.394e-11 4.777e-11 -10.357 -10.321 0.036 35.46 +C(-4) 4.493e-11 + CH4 4.493e-11 4.885e-11 -10.347 -10.311 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -203677,16 +202620,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.114e-11 - H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 -Hto 2.507e-16 - Hto 2.507e-16 2.507e-16 -15.601 -15.601 0.000 (0) +H(0) 2.125e-11 + H2 1.063e-11 1.155e-11 -10.974 -10.937 0.036 28.61 +Hto 2.506e-16 + Hto 2.506e-16 2.506e-16 -15.601 -15.601 0.000 (0) I 4.437e-17 I- 4.437e-17 4.437e-17 -16.353 -16.353 -0.000 (0) K 1.540e-03 @@ -203698,22 +202641,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.685e-19 - Nat+ 2.685e-19 2.685e-19 -18.571 -18.571 -0.000 (0) +Nat 2.684e-19 + Nat+ 2.684e-19 2.684e-19 -18.571 -18.571 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 -S(-2) 6.883e-08 - HS- 4.815e-08 3.170e-08 -7.317 -7.499 -0.182 21.14 - H2S 2.068e-08 2.249e-08 -7.684 -7.648 0.036 36.27 - S-2 1.957e-13 4.718e-14 -12.708 -13.326 -0.618 (0) - (H2S)2 2.451e-17 2.665e-17 -16.611 -16.574 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 +S(-2) 7.038e-08 + HS- 4.923e-08 3.241e-08 -7.308 -7.489 -0.182 21.14 + H2S 2.115e-08 2.299e-08 -7.675 -7.638 0.036 36.27 + S-2 2.001e-13 4.824e-14 -12.699 -13.317 -0.618 (0) + (H2S)2 2.562e-17 2.786e-17 -16.591 -16.555 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -203729,7 +202671,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -203740,21 +202682,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -203778,7 +202720,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.886e-11 Surface + diffuse layer charge, eq + -9.914e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -203788,7 +202730,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -203797,14 +202739,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 2.9462e-18 - I 4.4325e-31 + Hto 2.9455e-18 + I 4.4345e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.3435e-21 + Nat 9.3398e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -203823,30 +202765,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.497e-17 2.941e-18 + Hto 2.496e-17 2.941e-18 I 3.763e-18 4.433e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.590e-20 1.873e-21 + Nat 1.589e-20 1.872e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.935e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -203858,19 +202800,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.395e-11 - CH4 4.395e-11 4.779e-11 -10.357 -10.321 0.036 35.46 +C(-4) 4.494e-11 + CH4 4.494e-11 4.886e-11 -10.347 -10.311 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -203879,16 +202821,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.114e-11 - H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 -Hto 2.497e-17 - Hto 2.497e-17 2.497e-17 -16.603 -16.603 0.000 (0) +H(0) 2.126e-11 + H2 1.063e-11 1.155e-11 -10.974 -10.937 0.036 28.61 +Hto 2.496e-17 + Hto 2.496e-17 2.496e-17 -16.603 -16.603 0.000 (0) I 3.763e-18 I- 3.763e-18 3.763e-18 -17.424 -17.424 -0.000 (0) K 1.540e-03 @@ -203900,22 +202842,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.590e-20 - Nat+ 1.590e-20 1.590e-20 -19.799 -19.799 -0.000 (0) +Nat 1.589e-20 + Nat+ 1.589e-20 1.589e-20 -19.799 -19.799 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 -S(-2) 6.886e-08 - HS- 4.817e-08 3.171e-08 -7.317 -7.499 -0.182 21.14 - H2S 2.069e-08 2.250e-08 -7.684 -7.648 0.036 36.27 - S-2 1.958e-13 4.720e-14 -12.708 -13.326 -0.618 (0) - (H2S)2 2.453e-17 2.667e-17 -16.610 -16.574 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 +S(-2) 7.040e-08 + HS- 4.925e-08 3.242e-08 -7.308 -7.489 -0.182 21.14 + H2S 2.116e-08 2.300e-08 -7.675 -7.638 0.036 36.27 + S-2 2.002e-13 4.826e-14 -12.699 -13.316 -0.618 (0) + (H2S)2 2.564e-17 2.788e-17 -16.591 -16.555 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -203931,7 +202872,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -203942,21 +202883,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -203980,7 +202921,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.886e-11 Surface + diffuse layer charge, eq + -9.915e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -203990,7 +202931,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -203999,14 +202940,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 2.6831e-19 - I 3.4348e-32 + Hto 2.6824e-19 + I 3.4342e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.0452e-22 + Nat 5.0431e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -204025,30 +202966,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.274e-18 2.679e-19 + Hto 2.273e-18 2.678e-19 I 2.915e-19 3.434e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.585e-22 1.011e-22 + Nat 8.581e-22 1.011e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.936e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -204060,19 +203001,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.396e-11 - CH4 4.396e-11 4.779e-11 -10.357 -10.321 0.036 35.46 +C(-4) 4.495e-11 + CH4 4.495e-11 4.887e-11 -10.347 -10.311 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -204081,16 +203022,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.114e-11 - H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 -Hto 2.274e-18 - Hto 2.274e-18 2.274e-18 -17.643 -17.643 0.000 (0) +H(0) 2.126e-11 + H2 1.063e-11 1.155e-11 -10.974 -10.937 0.036 28.61 +Hto 2.273e-18 + Hto 2.273e-18 2.273e-18 -17.643 -17.643 0.000 (0) I 2.915e-19 I- 2.915e-19 2.915e-19 -18.535 -18.535 -0.000 (0) K 1.540e-03 @@ -204102,22 +203043,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.585e-22 - Nat+ 8.585e-22 8.585e-22 -21.066 -21.066 -0.000 (0) +Nat 8.581e-22 + Nat+ 8.581e-22 8.581e-22 -21.066 -21.066 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 -S(-2) 6.886e-08 - HS- 4.817e-08 3.171e-08 -7.317 -7.499 -0.182 21.14 - H2S 2.069e-08 2.250e-08 -7.684 -7.648 0.036 36.27 - S-2 1.958e-13 4.720e-14 -12.708 -13.326 -0.618 (0) - (H2S)2 2.453e-17 2.667e-17 -16.610 -16.574 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 +S(-2) 7.041e-08 + HS- 4.925e-08 3.242e-08 -7.308 -7.489 -0.182 21.14 + H2S 2.116e-08 2.300e-08 -7.675 -7.638 0.036 36.27 + S-2 2.002e-13 4.826e-14 -12.698 -13.316 -0.618 (0) + (H2S)2 2.564e-17 2.788e-17 -16.591 -16.555 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -204133,7 +203073,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -204144,21 +203084,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -204182,7 +203122,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.886e-11 Surface + diffuse layer charge, eq + -9.914e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -204192,7 +203132,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -204201,14 +203141,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 2.2380e-20 + Hto 2.2374e-20 I 2.4349e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.4706e-23 + Nat 2.4695e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -204227,30 +203167,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.897e-19 2.234e-20 + Hto 1.896e-19 2.234e-20 I 2.067e-20 2.435e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.204e-23 4.953e-24 + Nat 4.202e-23 4.950e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.936e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -204262,19 +203202,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.396e-11 - CH4 4.396e-11 4.779e-11 -10.357 -10.321 0.036 35.46 +C(-4) 4.495e-11 + CH4 4.495e-11 4.887e-11 -10.347 -10.311 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -204283,16 +203223,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.114e-11 - H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 -Hto 1.897e-19 - Hto 1.897e-19 1.897e-19 -18.722 -18.722 0.000 (0) +H(0) 2.126e-11 + H2 1.063e-11 1.155e-11 -10.974 -10.937 0.036 28.61 +Hto 1.896e-19 + Hto 1.896e-19 1.896e-19 -18.722 -18.722 0.000 (0) I 2.067e-20 I- 2.067e-20 2.067e-20 -19.685 -19.685 -0.000 (0) K 1.540e-03 @@ -204304,22 +203244,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.204e-23 - Nat+ 4.204e-23 4.204e-23 -22.376 -22.376 -0.000 (0) +Nat 4.202e-23 + Nat+ 4.202e-23 4.202e-23 -22.377 -22.377 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 -S(-2) 6.886e-08 - HS- 4.817e-08 3.171e-08 -7.317 -7.499 -0.182 21.14 - H2S 2.069e-08 2.250e-08 -7.684 -7.648 0.036 36.27 - S-2 1.958e-13 4.720e-14 -12.708 -13.326 -0.618 (0) - (H2S)2 2.453e-17 2.667e-17 -16.610 -16.574 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 +S(-2) 7.041e-08 + HS- 4.925e-08 3.242e-08 -7.308 -7.489 -0.182 21.14 + H2S 2.116e-08 2.300e-08 -7.675 -7.638 0.036 36.27 + S-2 2.002e-13 4.826e-14 -12.698 -13.316 -0.618 (0) + (H2S)2 2.564e-17 2.788e-17 -16.591 -16.555 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -204335,7 +203274,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -204346,21 +203285,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -204384,7 +203323,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.886e-11 Surface + diffuse layer charge, eq + -9.914e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -204394,7 +203333,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -204403,14 +203342,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 1.8297e-21 + Hto 1.8292e-21 I 1.6739e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.7549e-25 + Nat 9.7502e-25 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -204429,30 +203368,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.551e-20 1.827e-21 + Hto 1.550e-20 1.826e-21 I 1.421e-21 1.674e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.660e-24 1.956e-25 + Nat 1.659e-24 1.955e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.936e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -204464,19 +203403,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.396e-11 - CH4 4.396e-11 4.779e-11 -10.357 -10.321 0.036 35.46 +C(-4) 4.495e-11 + CH4 4.495e-11 4.887e-11 -10.347 -10.311 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -204485,16 +203424,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.114e-11 - H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 -Hto 1.551e-20 - Hto 1.551e-20 1.551e-20 -19.810 -19.810 0.000 (0) +H(0) 2.126e-11 + H2 1.063e-11 1.155e-11 -10.974 -10.937 0.036 28.61 +Hto 1.550e-20 + Hto 1.550e-20 1.550e-20 -19.810 -19.810 0.000 (0) I 1.421e-21 I- 1.421e-21 1.421e-21 -20.847 -20.847 -0.000 (0) K 1.540e-03 @@ -204506,22 +203445,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.660e-24 - Nat+ 1.660e-24 1.660e-24 -23.780 -23.780 -0.000 (0) +Nat 1.659e-24 + Nat+ 1.659e-24 1.659e-24 -23.780 -23.780 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 -S(-2) 6.886e-08 - HS- 4.817e-08 3.171e-08 -7.317 -7.499 -0.182 21.14 - H2S 2.069e-08 2.250e-08 -7.684 -7.648 0.036 36.27 - S-2 1.958e-13 4.720e-14 -12.708 -13.326 -0.618 (0) - (H2S)2 2.453e-17 2.667e-17 -16.610 -16.574 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 +S(-2) 7.041e-08 + HS- 4.925e-08 3.242e-08 -7.308 -7.489 -0.182 21.14 + H2S 2.116e-08 2.300e-08 -7.675 -7.638 0.036 36.27 + S-2 2.002e-13 4.826e-14 -12.698 -13.316 -0.618 (0) + (H2S)2 2.565e-17 2.788e-17 -16.591 -16.555 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -204537,7 +203475,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -204548,21 +203486,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -204592,18 +203530,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -204617,8 +203555,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -204642,8 +203580,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -204663,16 +203601,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -204699,21 +203636,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -204741,18 +203678,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -204766,8 +203703,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -204791,8 +203728,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -204812,16 +203749,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -204848,21 +203784,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -204892,25 +203828,25 @@ Kinetics 3. K 1.540e-03 7.700e-04 Mg 1.720e-02 8.600e-03 Na 2.390e-01 1.195e-01 - Nat 2.814e-07 1.407e-07 + Nat 2.815e-07 1.407e-07 S 1.260e-02 6.300e-03 Sr 5.000e-04 2.500e-04 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.062 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.061 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.027e-12 + Electrical balance (eq) = -9.870e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -204921,11 +203857,11 @@ Kinetics 3. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 + OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.812e-12 - CH4 3.812e-12 4.144e-12 -11.419 -11.383 0.036 35.46 +C(-4) 3.732e-12 + CH4 3.732e-12 4.058e-12 -11.428 -11.392 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -204949,8 +203885,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.147e-11 - H2 5.733e-12 6.233e-12 -11.242 -11.205 0.036 28.61 +H(0) 1.141e-11 + H2 5.703e-12 6.201e-12 -11.244 -11.208 0.036 28.61 Hto 5.102e-07 Hto 5.102e-07 5.102e-07 -6.292 -6.292 0.000 (0) I 6.940e-07 @@ -204970,16 +203906,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) -Nat 2.814e-07 - Nat+ 2.814e-07 2.814e-07 -6.551 -6.551 -0.000 (0) +Nat 2.815e-07 + Nat+ 2.815e-07 2.815e-07 -6.551 -6.551 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.015 -69.978 0.036 30.40 -S(-2) 5.975e-09 - HS- 4.178e-09 2.750e-09 -8.379 -8.561 -0.182 21.14 - H2S 1.798e-09 1.954e-09 -8.745 -8.709 0.036 36.27 - S-2 1.696e-14 4.088e-15 -13.771 -14.389 -0.618 (0) - (H2S)2 1.851e-19 2.013e-19 -18.733 -18.696 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.010 -69.974 0.036 30.40 +S(-2) 5.850e-09 + HS- 4.090e-09 2.693e-09 -8.388 -8.570 -0.182 21.14 + H2S 1.760e-09 1.913e-09 -8.755 -8.718 0.036 36.27 + S-2 1.660e-14 4.002e-15 -13.780 -14.398 -0.618 (0) + (H2S)2 1.774e-19 1.929e-19 -18.751 -18.715 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -205006,21 +203941,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.58 -11.38 -2.80 CH4 + CH4(g) -8.59 -11.39 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.10 -11.21 -3.10 H2 + H2(g) -8.11 -11.21 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.71 -15.65 -7.94 H2S + H2S(g) -7.72 -15.66 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.09 -69.98 -2.89 O2 + O2(g) -67.08 -69.97 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.54 -0.65 4.88 S + Sulfur -5.54 -0.66 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -205044,7 +203979,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -5.113e-14 Surface + diffuse layer charge, eq + -5.129e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -205054,7 +203989,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -205066,7 +204001,7 @@ Su Cl 4.6648e-10 H 1.2948e-04 Hto 5.3161e-08 - I 7.2236e-20 + I 7.2249e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -205102,17 +204037,17 @@ Su pH = 7.090 Charge balance pe = -3.112 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.945e-09 + Electrical balance (eq) = 1.677e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -205126,8 +204061,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.509e-12 - CH4 9.509e-12 1.034e-11 -11.022 -10.986 0.036 35.46 +C(-4) 9.457e-12 + CH4 9.457e-12 1.028e-11 -11.024 -10.988 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -205151,8 +204086,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) -H(0) 1.441e-11 - H2 7.206e-12 7.834e-12 -11.142 -11.106 0.036 28.61 +H(0) 1.439e-11 + H2 7.196e-12 7.824e-12 -11.143 -11.107 0.036 28.61 Hto 4.505e-07 Hto 4.505e-07 4.505e-07 -6.346 -6.346 0.000 (0) I 6.131e-07 @@ -205172,16 +204107,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.559e-07 Nat+ 2.559e-07 2.559e-07 -6.592 -6.592 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.213 -70.177 0.036 30.40 -S(-2) 1.491e-08 - HS- 1.042e-08 6.861e-09 -7.982 -8.164 -0.182 21.14 - H2S 4.483e-09 4.874e-09 -8.348 -8.312 0.036 36.27 - S-2 4.231e-14 1.020e-14 -13.374 -13.991 -0.618 (0) - (H2S)2 1.151e-18 1.252e-18 -17.939 -17.902 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.212 -70.176 0.036 30.40 +S(-2) 1.482e-08 + HS- 1.037e-08 6.824e-09 -7.984 -8.166 -0.182 21.14 + H2S 4.459e-09 4.848e-09 -8.351 -8.314 0.036 36.27 + S-2 4.208e-14 1.014e-14 -13.376 -13.994 -0.618 (0) + (H2S)2 1.139e-18 1.238e-18 -17.944 -17.907 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -205208,14 +204142,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.18 -10.99 -2.80 CH4 + CH4(g) -8.19 -10.99 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.00 -11.11 -3.10 H2 + H2(g) -8.01 -11.11 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.32 -15.25 -7.94 H2S + H2S(g) -7.32 -15.26 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -205256,7 +204190,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -205268,7 +204202,7 @@ Su Cl 4.6610e-10 H 1.2950e-04 Hto 3.5216e-08 - I 4.4238e-20 + I 4.4231e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -205304,18 +204238,18 @@ Su pH = 7.091 Charge balance pe = -3.175 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.103e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.284e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -205328,8 +204262,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.009e-11 - CH4 3.009e-11 3.271e-11 -10.522 -10.485 0.036 35.46 +C(-4) 3.016e-11 + CH4 3.016e-11 3.279e-11 -10.521 -10.484 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.749e-04 -3.585 -3.561 0.024 34.43 @@ -205353,8 +204287,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.922e-11 - H2 9.612e-12 1.045e-11 -11.017 -10.981 0.036 28.61 +H(0) 1.924e-11 + H2 9.618e-12 1.046e-11 -11.017 -10.981 0.036 28.61 Hto 2.984e-07 Hto 2.984e-07 2.984e-07 -6.525 -6.525 0.000 (0) I 3.755e-07 @@ -205374,16 +204308,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.530e-07 Nat+ 1.530e-07 1.530e-07 -6.815 -6.815 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.463 -70.427 0.036 30.40 -S(-2) 4.714e-08 - HS- 3.297e-08 2.170e-08 -7.482 -7.663 -0.182 21.14 - H2S 1.417e-08 1.541e-08 -7.849 -7.812 0.036 36.27 - S-2 1.340e-13 3.229e-14 -12.873 -13.491 -0.618 (0) - (H2S)2 1.150e-17 1.251e-17 -16.939 -16.903 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.464 -70.428 0.036 30.40 +S(-2) 4.726e-08 + HS- 3.305e-08 2.176e-08 -7.481 -7.662 -0.182 21.14 + H2S 1.421e-08 1.544e-08 -7.848 -7.811 0.036 36.27 + S-2 1.343e-13 3.237e-14 -12.872 -13.490 -0.618 (0) + (H2S)2 1.156e-17 1.257e-17 -16.937 -16.901 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -205410,7 +204343,7 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.49 -2.80 CH4 + CH4(g) -7.68 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O @@ -205422,7 +204355,7 @@ Sr 5.000e-04 Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.53 -70.43 -2.89 O2 + O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.86 0.02 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -205448,7 +204381,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.888e-11 Surface + diffuse layer charge, eq + -9.893e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -205458,7 +204391,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -205467,14 +204400,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6594e-10 + Cl 4.6593e-10 H 1.2950e-04 - Hto 1.9563e-08 - I 2.2387e-20 + Hto 1.9562e-08 + I 2.2390e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.0095e-08 + Nat 4.0094e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -205498,7 +204431,7 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.823e-08 8.038e-09 + Nat 6.822e-08 8.038e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 @@ -205506,17 +204439,17 @@ Su pH = 7.091 Charge balance pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.035e-09 + Electrical balance (eq) = -2.386e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -205530,8 +204463,8 @@ Su OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.116e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.925e-11 - CH4 3.925e-11 4.268e-11 -10.406 -10.370 0.036 35.46 +C(-4) 3.957e-11 + CH4 3.957e-11 4.303e-11 -10.403 -10.366 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -205543,7 +204476,7 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.614e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.275e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -205555,8 +204488,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.055e-11 - H2 1.027e-11 1.117e-11 -10.988 -10.952 0.036 28.61 +H(0) 2.059e-11 + H2 1.029e-11 1.119e-11 -10.987 -10.951 0.036 28.61 Hto 1.658e-07 Hto 1.658e-07 1.658e-07 -6.780 -6.780 0.000 (0) I 1.900e-07 @@ -205576,16 +204509,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.823e-08 - Nat+ 6.823e-08 6.823e-08 -7.166 -7.166 -0.000 (0) +Nat 6.822e-08 + Nat+ 6.822e-08 6.822e-08 -7.166 -7.166 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.521 -70.485 0.036 30.40 -S(-2) 6.150e-08 - HS- 4.301e-08 2.832e-08 -7.366 -7.548 -0.182 21.14 - H2S 1.848e-08 2.009e-08 -7.733 -7.697 0.036 36.27 - S-2 1.748e-13 4.214e-14 -12.757 -13.375 -0.618 (0) - (H2S)2 1.957e-17 2.127e-17 -16.708 -16.672 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.523 -70.487 0.036 30.40 +S(-2) 6.200e-08 + HS- 4.337e-08 2.855e-08 -7.363 -7.544 -0.182 21.14 + H2S 1.863e-08 2.026e-08 -7.730 -7.693 0.036 36.27 + S-2 1.763e-13 4.249e-14 -12.754 -13.372 -0.618 (0) + (H2S)2 1.989e-17 2.162e-17 -16.701 -16.665 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -205600,7 +204532,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.110e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.154e-10 8.089e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -205612,7 +204544,7 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.57 -10.37 -2.80 CH4 + CH4(g) -7.56 -10.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O @@ -205624,9 +204556,9 @@ Sr 5.000e-04 Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.59 -70.48 -2.89 O2 + O2(g) -67.59 -70.49 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.78 0.11 4.88 S + Sulfur -4.77 0.11 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -205650,7 +204582,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.949e-11 Surface + diffuse layer charge, eq + -9.966e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -205660,7 +204592,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -205669,14 +204601,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6587e-10 + Cl 4.6586e-10 H 1.2950e-04 - Hto 9.1749e-09 + Hto 9.1747e-09 I 9.4365e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3896e-08 + Nat 1.3895e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -205700,7 +204632,7 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.365e-08 2.786e-09 + Nat 2.364e-08 2.785e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 @@ -205708,17 +204640,17 @@ Su pH = 7.091 Charge balance pe = -3.195 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.044e-09 + Electrical balance (eq) = -2.396e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -205730,10 +204662,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.299e-11 - CH4 4.299e-11 4.674e-11 -10.367 -10.330 0.036 35.46 +C(-4) 4.359e-11 + CH4 4.359e-11 4.739e-11 -10.361 -10.324 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -205742,10 +204674,10 @@ C(4) 2.744e-03 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -205756,9 +204688,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.102e-11 - H2 1.051e-11 1.143e-11 -10.978 -10.942 0.036 28.61 + HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.109e-11 + H2 1.055e-11 1.147e-11 -10.977 -10.941 0.036 28.61 Hto 7.775e-08 Hto 7.775e-08 7.775e-08 -7.109 -7.109 0.000 (0) I 8.009e-08 @@ -205772,22 +204704,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.900e-07 2.128e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.365e-08 - Nat+ 2.365e-08 2.365e-08 -7.626 -7.626 -0.000 (0) +Nat 2.364e-08 + Nat+ 2.364e-08 2.364e-08 -7.626 -7.626 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.541 -70.505 0.036 30.40 -S(-2) 6.734e-08 - HS- 4.711e-08 3.101e-08 -7.327 -7.508 -0.182 21.14 - H2S 2.024e-08 2.200e-08 -7.694 -7.658 0.036 36.27 - S-2 1.915e-13 4.616e-14 -12.718 -13.336 -0.618 (0) - (H2S)2 2.346e-17 2.551e-17 -16.630 -16.593 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.544 -70.508 0.036 30.40 +S(-2) 6.829e-08 + HS- 4.777e-08 3.145e-08 -7.321 -7.502 -0.182 21.14 + H2S 2.052e-08 2.231e-08 -7.688 -7.652 0.036 36.27 + S-2 1.942e-13 4.681e-14 -12.712 -13.330 -0.618 (0) + (H2S)2 2.412e-17 2.623e-17 -16.618 -16.581 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -205796,13 +204727,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.551e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -205814,21 +204745,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.33 -2.80 CH4 + CH4(g) -7.52 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.66 -14.60 -7.94 H2S + H2S(g) -6.66 -14.59 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.61 -70.50 -2.89 O2 + O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.75 0.13 4.88 S + Sulfur -4.74 0.14 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -205852,7 +204783,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.943e-11 Surface + diffuse layer charge, eq + -9.968e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -205862,7 +204793,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -205871,14 +204802,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6585e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 3.6675e-09 - I 3.3517e-21 + Hto 3.6673e-09 + I 3.3509e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8755e-09 + Nat 3.8752e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -205897,30 +204828,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.108e-08 3.662e-09 + Hto 3.108e-08 3.661e-09 I 2.844e-08 3.351e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.595e-09 7.769e-10 + Nat 6.594e-09 7.768e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.040e-09 + Electrical balance (eq) = -2.393e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -205932,17 +204863,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.429e-11 - CH4 4.429e-11 4.816e-11 -10.354 -10.317 0.036 35.46 +C(-4) 4.511e-11 + CH4 4.511e-11 4.904e-11 -10.346 -10.309 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 @@ -205953,14 +204884,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.118e-11 - H2 1.059e-11 1.151e-11 -10.975 -10.939 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.127e-11 + H2 1.064e-11 1.157e-11 -10.973 -10.937 0.036 28.61 Hto 3.108e-08 Hto 3.108e-08 3.108e-08 -7.508 -7.508 0.000 (0) I 2.844e-08 @@ -205975,21 +204906,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.595e-09 - Nat+ 6.595e-09 6.595e-09 -8.181 -8.181 -0.000 (0) +Nat 6.594e-09 + Nat+ 6.594e-09 6.594e-09 -8.181 -8.181 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.547 -70.511 0.036 30.40 -S(-2) 6.939e-08 - HS- 4.854e-08 3.195e-08 -7.314 -7.495 -0.182 21.14 - H2S 2.085e-08 2.267e-08 -7.681 -7.645 0.036 36.27 - S-2 1.973e-13 4.756e-14 -12.705 -13.323 -0.618 (0) - (H2S)2 2.491e-17 2.708e-17 -16.604 -16.567 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.551 -70.515 0.036 30.40 +S(-2) 7.066e-08 + HS- 4.943e-08 3.254e-08 -7.306 -7.488 -0.182 21.14 + H2S 2.123e-08 2.308e-08 -7.673 -7.637 0.036 36.27 + S-2 2.009e-13 4.844e-14 -12.697 -13.315 -0.618 (0) + (H2S)2 2.583e-17 2.808e-17 -16.588 -16.552 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -206016,21 +204946,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -206054,7 +204984,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.927e-11 Surface + diffuse layer charge, eq + -9.954e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -206064,7 +204994,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -206073,14 +205003,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6585e-10 + Cl 4.6583e-10 H 1.2950e-04 - Hto 1.2621e-09 + Hto 1.2620e-09 I 1.0156e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.9363e-10 + Nat 8.9354e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -206104,25 +205034,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.521e-09 1.791e-10 + Nat 1.520e-09 1.791e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.036e-09 + Electrical balance (eq) = -2.390e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -206134,10 +205064,10 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.462e-11 - CH4 4.462e-11 4.851e-11 -10.350 -10.314 0.036 35.46 +C(-4) 4.554e-11 + CH4 4.554e-11 4.951e-11 -10.342 -10.305 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -206149,20 +205079,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.122e-11 - H2 1.061e-11 1.153e-11 -10.974 -10.938 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.133e-11 + H2 1.066e-11 1.159e-11 -10.972 -10.936 0.036 28.61 Hto 1.070e-08 Hto 1.070e-08 1.070e-08 -7.971 -7.971 0.000 (0) I 8.618e-09 @@ -206177,21 +205107,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.521e-09 - Nat+ 1.521e-09 1.521e-09 -8.818 -8.818 -0.000 (0) +Nat 1.520e-09 + Nat+ 1.520e-09 1.520e-09 -8.818 -8.818 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.549 -70.513 0.036 30.40 -S(-2) 6.990e-08 - HS- 4.889e-08 3.219e-08 -7.311 -7.492 -0.182 21.14 - H2S 2.100e-08 2.284e-08 -7.678 -7.641 0.036 36.27 - S-2 1.988e-13 4.791e-14 -12.702 -13.320 -0.618 (0) - (H2S)2 2.527e-17 2.748e-17 -16.597 -16.561 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.554 -70.517 0.036 30.40 +S(-2) 7.134e-08 + HS- 4.991e-08 3.285e-08 -7.302 -7.483 -0.182 21.14 + H2S 2.144e-08 2.331e-08 -7.669 -7.633 0.036 36.27 + S-2 2.029e-13 4.890e-14 -12.693 -13.311 -0.618 (0) + (H2S)2 2.633e-17 2.862e-17 -16.580 -16.543 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -206201,12 +205130,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -206218,21 +205147,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.58 -7.94 H2S + H2S(g) -6.64 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.15 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -206256,7 +205185,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.914e-11 Surface + diffuse layer charge, eq + -9.942e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -206266,7 +205195,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -206275,14 +205204,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6585e-10 + Cl 4.6583e-10 H 1.2950e-04 - Hto 3.7754e-10 - I 2.6552e-22 + Hto 3.7752e-10 + I 2.6547e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7397e-10 + Nat 1.7395e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -206306,25 +205235,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.960e-10 3.488e-11 + Nat 2.960e-10 3.487e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.034e-09 + Electrical balance (eq) = -2.388e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -206336,35 +205265,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.455e-11 - CH4 4.455e-11 4.844e-11 -10.351 -10.315 0.036 35.46 +C(-4) 4.552e-11 + CH4 4.552e-11 4.949e-11 -10.342 -10.305 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.121e-11 - H2 1.060e-11 1.153e-11 -10.975 -10.938 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.132e-11 + H2 1.066e-11 1.159e-11 -10.972 -10.936 0.036 28.61 Hto 3.199e-09 Hto 3.199e-09 3.199e-09 -8.495 -8.495 0.000 (0) I 2.253e-09 @@ -206379,21 +205308,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.960e-10 Nat+ 2.960e-10 2.960e-10 -9.529 -9.529 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.549 -70.512 0.036 30.40 -S(-2) 6.980e-08 - HS- 4.882e-08 3.214e-08 -7.311 -7.493 -0.182 21.14 - H2S 2.097e-08 2.280e-08 -7.678 -7.642 0.036 36.27 - S-2 1.985e-13 4.784e-14 -12.702 -13.320 -0.618 (0) - (H2S)2 2.520e-17 2.740e-17 -16.599 -16.562 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.553 -70.517 0.036 30.40 +S(-2) 7.131e-08 + HS- 4.988e-08 3.284e-08 -7.302 -7.484 -0.182 21.14 + H2S 2.143e-08 2.330e-08 -7.669 -7.633 0.036 36.27 + S-2 2.028e-13 4.888e-14 -12.693 -13.311 -0.618 (0) + (H2S)2 2.631e-17 2.860e-17 -16.580 -16.544 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -206403,12 +205331,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -206420,21 +205348,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.58 -7.94 H2S + H2S(g) -6.64 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.15 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -206458,7 +205386,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.902e-11 Surface + diffuse layer charge, eq + -9.930e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -206468,7 +205396,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -206477,14 +205405,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6585e-10 + Cl 4.6583e-10 H 1.2950e-04 - Hto 9.9028e-11 + Hto 9.9021e-11 I 6.0539e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9067e-11 + Nat 2.9063e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -206503,30 +205431,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.392e-10 9.887e-11 + Hto 8.392e-10 9.886e-11 I 5.138e-10 6.052e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.946e-11 5.827e-12 + Nat 4.945e-11 5.826e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.516e-09 + Electrical balance (eq) = -1.872e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -206538,17 +205466,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.436e-11 - CH4 4.436e-11 4.823e-11 -10.353 -10.317 0.036 35.46 +C(-4) 4.534e-11 + CH4 4.534e-11 4.929e-11 -10.344 -10.307 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 @@ -206559,14 +205487,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.119e-11 - H2 1.059e-11 1.152e-11 -10.975 -10.939 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.130e-11 + H2 1.065e-11 1.158e-11 -10.973 -10.936 0.036 28.61 Hto 8.392e-10 Hto 8.392e-10 8.392e-10 -9.076 -9.076 0.000 (0) I 5.138e-10 @@ -206581,21 +205509,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 4.946e-11 - Nat+ 4.946e-11 4.946e-11 -10.306 -10.306 -0.000 (0) +Nat 4.945e-11 + Nat+ 4.945e-11 4.945e-11 -10.306 -10.306 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.548 -70.511 0.036 30.40 -S(-2) 6.949e-08 - HS- 4.861e-08 3.200e-08 -7.313 -7.495 -0.182 21.14 - H2S 2.088e-08 2.270e-08 -7.680 -7.644 0.036 36.27 - S-2 1.976e-13 4.763e-14 -12.704 -13.322 -0.618 (0) - (H2S)2 2.498e-17 2.716e-17 -16.602 -16.566 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.553 -70.516 0.036 30.40 +S(-2) 7.103e-08 + HS- 4.968e-08 3.271e-08 -7.304 -7.485 -0.182 21.14 + H2S 2.134e-08 2.320e-08 -7.671 -7.634 0.036 36.27 + S-2 2.020e-13 4.869e-14 -12.695 -13.313 -0.618 (0) + (H2S)2 2.609e-17 2.837e-17 -16.583 -16.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -206605,7 +205532,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -206622,21 +205549,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -206660,7 +205587,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.893e-11 Surface + diffuse layer charge, eq + -9.922e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -206670,7 +205597,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -206679,14 +205606,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 2.2953e-11 - I 1.2140e-23 + Hto 2.2951e-11 + I 1.2141e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2227e-12 + Nat 4.2219e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -206705,30 +205632,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.945e-10 2.292e-11 + Hto 1.945e-10 2.291e-11 I 1.030e-10 1.214e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.185e-12 8.465e-13 + Nat 7.184e-12 8.464e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.466e-09 + Electrical balance (eq) = -1.820e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -206740,19 +205667,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.418e-11 - CH4 4.418e-11 4.803e-11 -10.355 -10.318 0.036 35.46 +C(-4) 4.517e-11 + CH4 4.517e-11 4.911e-11 -10.345 -10.309 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -206761,14 +205688,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.116e-11 - H2 1.058e-11 1.151e-11 -10.975 -10.939 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.128e-11 + H2 1.064e-11 1.157e-11 -10.973 -10.937 0.036 28.61 Hto 1.945e-10 Hto 1.945e-10 1.945e-10 -9.711 -9.711 0.000 (0) I 1.030e-10 @@ -206782,22 +205709,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 7.185e-12 - Nat+ 7.185e-12 7.185e-12 -11.144 -11.144 -0.000 (0) +Nat 7.184e-12 + Nat+ 7.184e-12 7.184e-12 -11.144 -11.144 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.547 -70.511 0.036 30.40 -S(-2) 6.921e-08 - HS- 4.841e-08 3.187e-08 -7.315 -7.497 -0.182 21.14 - H2S 2.080e-08 2.261e-08 -7.682 -7.646 0.036 36.27 - S-2 1.968e-13 4.744e-14 -12.706 -13.324 -0.618 (0) - (H2S)2 2.478e-17 2.694e-17 -16.606 -16.570 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.552 -70.515 0.036 30.40 +S(-2) 7.075e-08 + HS- 4.949e-08 3.258e-08 -7.305 -7.487 -0.182 21.14 + H2S 2.126e-08 2.311e-08 -7.672 -7.636 0.036 36.27 + S-2 2.012e-13 4.850e-14 -12.696 -13.314 -0.618 (0) + (H2S)2 2.590e-17 2.815e-17 -16.587 -16.550 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -206813,7 +205739,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -206824,21 +205750,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -206862,7 +205788,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.889e-11 Surface + diffuse layer charge, eq + -9.917e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -206872,7 +205798,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -206881,14 +205807,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 4.7326e-12 + Hto 4.7321e-12 I 2.1580e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.3898e-13 + Nat 5.3888e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -206907,30 +205833,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.011e-11 4.725e-12 + Hto 4.010e-11 4.724e-12 I 1.832e-11 2.158e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.171e-13 1.080e-13 + Nat 9.170e-13 1.080e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.921e-09 + Electrical balance (eq) = -2.275e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -206942,19 +205868,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.410e-11 - CH4 4.410e-11 4.795e-11 -10.356 -10.319 0.036 35.46 +C(-4) 4.509e-11 + CH4 4.509e-11 4.902e-11 -10.346 -10.310 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -206963,16 +205889,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.116e-11 - H2 1.058e-11 1.150e-11 -10.976 -10.939 0.036 28.61 -Hto 4.011e-11 - Hto 4.011e-11 4.011e-11 -10.397 -10.397 0.000 (0) + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.127e-11 + H2 1.064e-11 1.156e-11 -10.973 -10.937 0.036 28.61 +Hto 4.010e-11 + Hto 4.010e-11 4.010e-11 -10.397 -10.397 0.000 (0) I 1.832e-11 I- 1.832e-11 1.832e-11 -10.737 -10.737 -0.000 (0) K 1.540e-03 @@ -206984,22 +205910,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 9.171e-13 - Nat+ 9.171e-13 9.171e-13 -12.038 -12.038 -0.000 (0) +Nat 9.170e-13 + Nat+ 9.170e-13 9.170e-13 -12.038 -12.038 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.547 -70.510 0.036 30.40 -S(-2) 6.909e-08 - HS- 4.833e-08 3.182e-08 -7.316 -7.497 -0.182 21.14 - H2S 2.076e-08 2.257e-08 -7.683 -7.646 0.036 36.27 - S-2 1.965e-13 4.736e-14 -12.707 -13.325 -0.618 (0) - (H2S)2 2.469e-17 2.685e-17 -16.607 -16.571 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.551 -70.515 0.036 30.40 +S(-2) 7.064e-08 + HS- 4.941e-08 3.253e-08 -7.306 -7.488 -0.182 21.14 + H2S 2.123e-08 2.308e-08 -7.673 -7.637 0.036 36.27 + S-2 2.009e-13 4.842e-14 -12.697 -13.315 -0.618 (0) + (H2S)2 2.581e-17 2.806e-17 -16.588 -16.552 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -207015,7 +205940,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -207026,21 +205951,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -207064,7 +205989,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.888e-11 Surface + diffuse layer charge, eq + -9.916e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -207074,7 +205999,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -207083,14 +206008,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 8.7316e-13 - I 3.4235e-25 + Hto 8.7305e-13 + I 3.4225e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.0963e-14 + Nat 6.0949e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -207109,7 +206034,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.400e-12 8.718e-13 + Hto 7.399e-12 8.716e-13 I 2.905e-12 3.423e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -207121,18 +206046,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.935e-09 + Electrical balance (eq) = -2.289e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -207144,19 +206069,19 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.416e-11 - CH4 4.416e-11 4.801e-11 -10.355 -10.319 0.036 35.46 +C(-4) 4.515e-11 + CH4 4.515e-11 4.908e-11 -10.345 -10.309 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 @@ -207165,16 +206090,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.116e-11 - H2 1.058e-11 1.150e-11 -10.975 -10.939 0.036 28.61 -Hto 7.400e-12 - Hto 7.400e-12 7.400e-12 -11.131 -11.131 0.000 (0) + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.128e-11 + H2 1.064e-11 1.157e-11 -10.973 -10.937 0.036 28.61 +Hto 7.399e-12 + Hto 7.399e-12 7.399e-12 -11.131 -11.131 0.000 (0) I 2.905e-12 I- 2.905e-12 2.905e-12 -11.537 -11.537 -0.000 (0) K 1.540e-03 @@ -207186,22 +206111,21 @@ Mg 1.720e-02 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.037e-13 Nat+ 1.037e-13 1.037e-13 -12.984 -12.984 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.547 -70.510 0.036 30.40 -S(-2) 6.918e-08 - HS- 4.839e-08 3.186e-08 -7.315 -7.497 -0.182 21.14 - H2S 2.079e-08 2.260e-08 -7.682 -7.646 0.036 36.27 - S-2 1.967e-13 4.742e-14 -12.706 -13.324 -0.618 (0) - (H2S)2 2.476e-17 2.691e-17 -16.606 -16.570 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.552 -70.515 0.036 30.40 +S(-2) 7.072e-08 + HS- 4.947e-08 3.257e-08 -7.306 -7.487 -0.182 21.14 + H2S 2.125e-08 2.310e-08 -7.673 -7.636 0.036 36.27 + S-2 2.011e-13 4.848e-14 -12.697 -13.314 -0.618 (0) + (H2S)2 2.587e-17 2.813e-17 -16.587 -16.551 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -207217,7 +206141,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -207228,21 +206152,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -207266,7 +206190,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.896e-11 Surface + diffuse layer charge, eq + -9.924e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -207276,7 +206200,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -207285,14 +206209,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6585e-10 + Cl 4.6583e-10 H 1.2950e-04 - Hto 1.4487e-13 - I 4.8707e-26 + Hto 1.4485e-13 + I 4.8714e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.1532e-15 + Nat 6.1516e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -207316,25 +206240,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.047e-14 1.234e-15 + Nat 1.047e-14 1.233e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.448e-10 + Electrical balance (eq) = -7.986e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -207346,17 +206270,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.434e-11 - CH4 4.434e-11 4.821e-11 -10.353 -10.317 0.036 35.46 +C(-4) 4.533e-11 + CH4 4.533e-11 4.928e-11 -10.344 -10.307 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 @@ -207367,14 +206291,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.118e-11 - H2 1.059e-11 1.152e-11 -10.975 -10.939 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.130e-11 + H2 1.065e-11 1.158e-11 -10.973 -10.936 0.036 28.61 Hto 1.228e-12 Hto 1.228e-12 1.228e-12 -11.911 -11.911 0.000 (0) I 4.135e-13 @@ -207389,21 +206313,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.047e-14 Nat+ 1.047e-14 1.047e-14 -13.980 -13.980 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.548 -70.511 0.036 30.40 -S(-2) 6.946e-08 - HS- 4.859e-08 3.199e-08 -7.313 -7.495 -0.182 21.14 - H2S 2.087e-08 2.269e-08 -7.680 -7.644 0.036 36.27 - S-2 1.975e-13 4.761e-14 -12.704 -13.322 -0.618 (0) - (H2S)2 2.496e-17 2.714e-17 -16.603 -16.566 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.552 -70.516 0.036 30.40 +S(-2) 7.101e-08 + HS- 4.967e-08 3.270e-08 -7.304 -7.485 -0.182 21.14 + H2S 2.134e-08 2.320e-08 -7.671 -7.635 0.036 36.27 + S-2 2.019e-13 4.867e-14 -12.695 -13.313 -0.618 (0) + (H2S)2 2.608e-17 2.836e-17 -16.584 -16.547 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -207413,7 +206336,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -207430,21 +206353,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -207468,7 +206391,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.904e-11 Surface + diffuse layer charge, eq + -9.932e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -207478,7 +206401,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -207487,14 +206410,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6585e-10 + Cl 4.6583e-10 H 1.2950e-04 - Hto 2.1710e-14 - I 6.2494e-27 + Hto 2.1706e-14 + I 6.2486e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.5743e-16 + Nat 5.5727e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -207518,25 +206441,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.485e-16 1.117e-16 + Nat 9.483e-16 1.117e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.031e-09 + Electrical balance (eq) = -2.385e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -207548,35 +206471,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.459e-11 - CH4 4.459e-11 4.848e-11 -10.351 -10.314 0.036 35.46 +C(-4) 4.558e-11 + CH4 4.558e-11 4.955e-11 -10.341 -10.305 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.121e-11 - H2 1.061e-11 1.153e-11 -10.974 -10.938 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.133e-11 + H2 1.066e-11 1.160e-11 -10.972 -10.936 0.036 28.61 Hto 1.840e-13 Hto 1.840e-13 1.840e-13 -12.735 -12.735 0.000 (0) I 5.304e-14 @@ -207591,21 +206514,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 9.485e-16 - Nat+ 9.485e-16 9.485e-16 -15.023 -15.023 -0.000 (0) +Nat 9.483e-16 + Nat+ 9.483e-16 9.483e-16 -15.023 -15.023 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.549 -70.513 0.036 30.40 -S(-2) 6.985e-08 - HS- 4.886e-08 3.217e-08 -7.311 -7.493 -0.182 21.14 - H2S 2.099e-08 2.282e-08 -7.678 -7.642 0.036 36.27 - S-2 1.986e-13 4.788e-14 -12.702 -13.320 -0.618 (0) - (H2S)2 2.524e-17 2.744e-17 -16.598 -16.562 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.554 -70.517 0.036 30.40 +S(-2) 7.140e-08 + HS- 4.994e-08 3.288e-08 -7.302 -7.483 -0.182 21.14 + H2S 2.145e-08 2.332e-08 -7.669 -7.632 0.036 36.27 + S-2 2.030e-13 4.894e-14 -12.692 -13.310 -0.618 (0) + (H2S)2 2.637e-17 2.867e-17 -16.579 -16.543 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -207615,12 +206537,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -207632,21 +206554,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.58 -7.94 H2S + H2S(g) -6.64 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.15 4.88 S + Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -207670,7 +206592,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.911e-11 Surface + diffuse layer charge, eq + -9.939e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -207680,7 +206602,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -207689,14 +206611,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6583e-10 H 1.2950e-04 - Hto 2.9491e-15 + Hto 2.9486e-15 I 7.2546e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5545e-17 + Nat 4.5531e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -207720,25 +206642,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.750e-17 9.130e-18 + Nat 7.748e-17 9.127e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.034e-09 + Electrical balance (eq) = -2.388e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -207752,8 +206674,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.480e-11 - CH4 4.480e-11 4.870e-11 -10.349 -10.312 0.036 35.46 +C(-4) 4.578e-11 + CH4 4.578e-11 4.978e-11 -10.339 -10.303 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -207765,20 +206687,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.124e-11 - H2 1.062e-11 1.155e-11 -10.974 -10.938 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.135e-11 + H2 1.068e-11 1.161e-11 -10.972 -10.935 0.036 28.61 Hto 2.499e-14 Hto 2.499e-14 2.499e-14 -13.602 -13.602 0.000 (0) I 6.157e-15 @@ -207793,21 +206715,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.128e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 7.750e-17 - Nat+ 7.750e-17 7.750e-17 -16.111 -16.111 -0.000 (0) +Nat 7.748e-17 + Nat+ 7.748e-17 7.748e-17 -16.111 -16.111 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.550 -70.514 0.036 30.40 -S(-2) 7.017e-08 - HS- 4.909e-08 3.231e-08 -7.309 -7.491 -0.182 21.14 - H2S 2.109e-08 2.293e-08 -7.676 -7.640 0.036 36.27 - S-2 1.996e-13 4.810e-14 -12.700 -13.318 -0.618 (0) - (H2S)2 2.547e-17 2.770e-17 -16.594 -16.558 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.555 -70.518 0.036 30.40 +S(-2) 7.172e-08 + HS- 5.017e-08 3.303e-08 -7.300 -7.481 -0.182 21.14 + H2S 2.155e-08 2.343e-08 -7.667 -7.630 0.036 36.27 + S-2 2.040e-13 4.916e-14 -12.690 -13.308 -0.618 (0) + (H2S)2 2.661e-17 2.893e-17 -16.575 -16.539 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -207817,12 +206738,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -207834,19 +206755,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.58 -7.94 H2S + H2S(g) -6.64 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -207872,7 +206793,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.914e-11 Surface + diffuse layer charge, eq + -9.942e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -207882,7 +206803,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -207891,14 +206812,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 3.6430e-16 + Hto 3.6423e-16 I 7.6483e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.3697e-18 + Nat 3.3686e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -207917,30 +206838,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.087e-15 3.637e-16 + Hto 3.087e-15 3.636e-16 I 6.492e-16 7.648e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.734e-18 6.755e-19 + Nat 5.732e-18 6.753e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.034e-09 + Electrical balance (eq) = -2.388e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -207954,8 +206875,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.491e-11 - CH4 4.491e-11 4.883e-11 -10.348 -10.311 0.036 35.46 +C(-4) 4.590e-11 + CH4 4.590e-11 4.990e-11 -10.338 -10.302 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -207967,22 +206888,22 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.125e-11 - H2 1.063e-11 1.155e-11 -10.974 -10.937 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.137e-11 + H2 1.068e-11 1.162e-11 -10.971 -10.935 0.036 28.61 Hto 3.087e-15 - Hto 3.087e-15 3.087e-15 -14.510 -14.510 0.000 (0) + Hto 3.087e-15 3.087e-15 -14.511 -14.511 0.000 (0) I 6.492e-16 I- 6.492e-16 6.492e-16 -15.188 -15.188 -0.000 (0) K 1.540e-03 @@ -207995,21 +206916,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 5.734e-18 - Nat+ 5.734e-18 5.734e-18 -17.242 -17.242 -0.000 (0) +Nat 5.732e-18 + Nat+ 5.732e-18 5.732e-18 -17.242 -17.242 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.550 -70.514 0.036 30.40 -S(-2) 7.036e-08 - HS- 4.922e-08 3.240e-08 -7.308 -7.489 -0.182 21.14 - H2S 2.114e-08 2.299e-08 -7.675 -7.639 0.036 36.27 - S-2 2.001e-13 4.823e-14 -12.699 -13.317 -0.618 (0) - (H2S)2 2.561e-17 2.784e-17 -16.592 -16.555 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.555 -70.519 0.036 30.40 +S(-2) 7.190e-08 + HS- 5.030e-08 3.311e-08 -7.298 -7.480 -0.182 21.14 + H2S 2.161e-08 2.349e-08 -7.665 -7.629 0.036 36.27 + S-2 2.045e-13 4.929e-14 -12.689 -13.307 -0.618 (0) + (H2S)2 2.674e-17 2.908e-17 -16.573 -16.536 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -208019,12 +206939,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -208036,21 +206956,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.73 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -208074,7 +206994,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.915e-11 Surface + diffuse layer charge, eq + -9.943e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -208084,7 +207004,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -208093,14 +207013,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 4.1032e-17 - I 7.3432e-30 + Hto 4.1023e-17 + I 7.3447e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2652e-19 + Nat 2.2643e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -208119,30 +207039,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.477e-16 4.097e-17 + Hto 3.477e-16 4.096e-17 I 6.233e-17 7.343e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.854e-19 4.541e-20 + Nat 3.853e-19 4.539e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.035e-09 + Electrical balance (eq) = -2.388e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -208156,8 +207076,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.496e-11 - CH4 4.496e-11 4.888e-11 -10.347 -10.311 0.036 35.46 +C(-4) 4.595e-11 + CH4 4.595e-11 4.996e-11 -10.338 -10.301 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -208169,20 +207089,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.126e-11 - H2 1.063e-11 1.156e-11 -10.974 -10.937 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.137e-11 + H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 Hto 3.477e-16 Hto 3.477e-16 3.477e-16 -15.459 -15.459 0.000 (0) I 6.233e-17 @@ -208197,21 +207117,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 3.854e-19 - Nat+ 3.854e-19 3.854e-19 -18.414 -18.414 -0.000 (0) +Nat 3.853e-19 + Nat+ 3.853e-19 3.853e-19 -18.414 -18.414 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 -S(-2) 7.043e-08 - HS- 4.927e-08 3.243e-08 -7.307 -7.489 -0.182 21.14 - H2S 2.116e-08 2.301e-08 -7.674 -7.638 0.036 36.27 - S-2 2.003e-13 4.828e-14 -12.698 -13.316 -0.618 (0) - (H2S)2 2.566e-17 2.790e-17 -16.591 -16.554 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.555 -70.519 0.036 30.40 +S(-2) 7.198e-08 + HS- 5.035e-08 3.315e-08 -7.298 -7.480 -0.182 21.14 + H2S 2.163e-08 2.351e-08 -7.665 -7.629 0.036 36.27 + S-2 2.047e-13 4.934e-14 -12.689 -13.307 -0.618 (0) + (H2S)2 2.680e-17 2.914e-17 -16.572 -16.536 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -208221,12 +207140,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -208238,21 +207157,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.73 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -208276,7 +207195,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.915e-11 Surface + diffuse layer charge, eq + -9.943e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -208286,7 +207205,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -208295,14 +207214,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 4.2232e-18 - I 6.4384e-31 + Hto 4.2223e-18 + I 6.4374e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3873e-20 + Nat 1.3867e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -208321,30 +207240,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.579e-17 4.216e-18 + Hto 3.578e-17 4.215e-18 I 5.464e-18 6.437e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.361e-20 2.781e-21 + Nat 2.360e-20 2.780e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.034e-09 + Electrical balance (eq) = -2.389e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -208358,8 +207277,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.498e-11 - CH4 4.498e-11 4.890e-11 -10.347 -10.311 0.036 35.46 +C(-4) 4.596e-11 + CH4 4.596e-11 4.997e-11 -10.338 -10.301 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -208371,22 +207290,22 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.126e-11 - H2 1.063e-11 1.156e-11 -10.973 -10.937 0.036 28.61 -Hto 3.579e-17 - Hto 3.579e-17 3.579e-17 -16.446 -16.446 0.000 (0) + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.138e-11 + H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 +Hto 3.578e-17 + Hto 3.578e-17 3.578e-17 -16.446 -16.446 0.000 (0) I 5.464e-18 I- 5.464e-18 5.464e-18 -17.263 -17.263 -0.000 (0) K 1.540e-03 @@ -208399,21 +207318,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.361e-20 - Nat+ 2.361e-20 2.361e-20 -19.627 -19.627 -0.000 (0) +Nat 2.360e-20 + Nat+ 2.360e-20 2.360e-20 -19.627 -19.627 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 -S(-2) 7.046e-08 - HS- 4.929e-08 3.245e-08 -7.307 -7.489 -0.182 21.14 - H2S 2.117e-08 2.302e-08 -7.674 -7.638 0.036 36.27 - S-2 2.004e-13 4.830e-14 -12.698 -13.316 -0.618 (0) - (H2S)2 2.568e-17 2.792e-17 -16.590 -16.554 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 +S(-2) 7.200e-08 + HS- 5.037e-08 3.316e-08 -7.298 -7.479 -0.182 21.14 + H2S 2.164e-08 2.352e-08 -7.665 -7.629 0.036 36.27 + S-2 2.048e-13 4.936e-14 -12.689 -13.307 -0.618 (0) + (H2S)2 2.682e-17 2.916e-17 -16.572 -16.535 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -208423,12 +207341,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -208440,21 +207358,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.73 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -208478,7 +207396,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.915e-11 Surface + diffuse layer charge, eq + -9.943e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -208488,7 +207406,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -208497,14 +207415,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 3.9795e-19 - I 5.1615e-32 + Hto 3.9785e-19 + I 5.1621e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.7574e-22 + Nat 7.7541e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -208523,30 +207441,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.372e-18 3.973e-19 + Hto 3.372e-18 3.972e-19 I 4.381e-19 5.161e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.320e-21 1.555e-22 + Nat 1.319e-21 1.554e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.034e-09 + Electrical balance (eq) = -2.389e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -208560,8 +207478,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.498e-11 - CH4 4.498e-11 4.890e-11 -10.347 -10.311 0.036 35.46 +C(-4) 4.597e-11 + CH4 4.597e-11 4.998e-11 -10.338 -10.301 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -208573,20 +207491,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.126e-11 - H2 1.063e-11 1.156e-11 -10.973 -10.937 0.036 28.61 + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.138e-11 + H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 Hto 3.372e-18 Hto 3.372e-18 3.372e-18 -17.472 -17.472 0.000 (0) I 4.381e-19 @@ -208601,21 +207519,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 1.320e-21 - Nat+ 1.320e-21 1.320e-21 -20.879 -20.879 -0.000 (0) +Nat 1.319e-21 + Nat+ 1.319e-21 1.319e-21 -20.880 -20.880 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 -S(-2) 7.046e-08 - HS- 4.929e-08 3.245e-08 -7.307 -7.489 -0.182 21.14 - H2S 2.117e-08 2.302e-08 -7.674 -7.638 0.036 36.27 - S-2 2.004e-13 4.830e-14 -12.698 -13.316 -0.618 (0) - (H2S)2 2.568e-17 2.792e-17 -16.590 -16.554 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 +S(-2) 7.201e-08 + HS- 5.037e-08 3.316e-08 -7.298 -7.479 -0.182 21.14 + H2S 2.164e-08 2.352e-08 -7.665 -7.628 0.036 36.27 + S-2 2.048e-13 4.936e-14 -12.689 -13.307 -0.618 (0) + (H2S)2 2.682e-17 2.916e-17 -16.572 -16.535 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -208625,12 +207542,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -208642,21 +207559,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.73 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -208680,7 +207597,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.915e-11 Surface + diffuse layer charge, eq + -9.943e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -208690,7 +207607,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -208699,14 +207616,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 3.4394e-20 + Hto 3.4385e-20 I 3.7924e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.9504e-23 + Nat 3.9486e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -208725,30 +207642,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.915e-19 3.434e-20 + Hto 2.914e-19 3.433e-20 I 3.219e-20 3.792e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.722e-23 7.919e-24 + Nat 6.719e-23 7.916e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.034e-09 + Electrical balance (eq) = -2.389e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -208762,8 +207679,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.498e-11 - CH4 4.498e-11 4.890e-11 -10.347 -10.311 0.036 35.46 +C(-4) 4.597e-11 + CH4 4.597e-11 4.998e-11 -10.338 -10.301 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -208775,22 +207692,22 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.126e-11 - H2 1.063e-11 1.156e-11 -10.973 -10.937 0.036 28.61 -Hto 2.915e-19 - Hto 2.915e-19 2.915e-19 -18.535 -18.535 0.000 (0) + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.138e-11 + H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 +Hto 2.914e-19 + Hto 2.914e-19 2.914e-19 -18.536 -18.536 0.000 (0) I 3.219e-20 I- 3.219e-20 3.219e-20 -19.492 -19.492 -0.000 (0) K 1.540e-03 @@ -208803,21 +207720,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 6.722e-23 - Nat+ 6.722e-23 6.722e-23 -22.172 -22.172 -0.000 (0) +Nat 6.719e-23 + Nat+ 6.719e-23 6.719e-23 -22.173 -22.173 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 -S(-2) 7.046e-08 - HS- 4.929e-08 3.245e-08 -7.307 -7.489 -0.182 21.14 - H2S 2.117e-08 2.302e-08 -7.674 -7.638 0.036 36.27 - S-2 2.004e-13 4.830e-14 -12.698 -13.316 -0.618 (0) - (H2S)2 2.568e-17 2.793e-17 -16.590 -16.554 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 +S(-2) 7.201e-08 + HS- 5.037e-08 3.316e-08 -7.298 -7.479 -0.182 21.14 + H2S 2.164e-08 2.352e-08 -7.665 -7.628 0.036 36.27 + S-2 2.048e-13 4.936e-14 -12.689 -13.307 -0.618 (0) + (H2S)2 2.682e-17 2.916e-17 -16.572 -16.535 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -208827,12 +207743,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -208844,21 +207760,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.73 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -208882,7 +207798,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.915e-11 Surface + diffuse layer charge, eq + -9.943e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -208892,7 +207808,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -208901,14 +207817,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 2.9252e-21 + Hto 2.9243e-21 I 2.7121e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7454e-24 + Nat 1.7446e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -208927,30 +207843,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.479e-20 2.920e-21 + Hto 2.478e-20 2.920e-21 I 2.302e-21 2.712e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.970e-24 3.499e-25 + Nat 2.969e-24 3.497e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.035e-09 + Electrical balance (eq) = -2.389e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -208964,8 +207880,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.498e-11 - CH4 4.498e-11 4.891e-11 -10.347 -10.311 0.036 35.46 +C(-4) 4.597e-11 + CH4 4.597e-11 4.998e-11 -10.338 -10.301 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -208977,22 +207893,22 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.126e-11 - H2 1.063e-11 1.156e-11 -10.973 -10.937 0.036 28.61 -Hto 2.479e-20 - Hto 2.479e-20 2.479e-20 -19.606 -19.606 0.000 (0) + HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) +H(0) 2.138e-11 + H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 +Hto 2.478e-20 + Hto 2.478e-20 2.478e-20 -19.606 -19.606 0.000 (0) I 2.302e-21 I- 2.302e-21 2.302e-21 -20.638 -20.638 -0.000 (0) K 1.540e-03 @@ -209005,21 +207921,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 2.970e-24 - Nat+ 2.970e-24 2.970e-24 -23.527 -23.527 -0.000 (0) +Nat 2.969e-24 + Nat+ 2.969e-24 2.969e-24 -23.527 -23.527 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.551 -70.514 0.036 30.40 -S(-2) 7.046e-08 - HS- 4.929e-08 3.245e-08 -7.307 -7.489 -0.182 21.14 - H2S 2.117e-08 2.302e-08 -7.674 -7.638 0.036 36.27 - S-2 2.004e-13 4.830e-14 -12.698 -13.316 -0.618 (0) - (H2S)2 2.568e-17 2.793e-17 -16.590 -16.554 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 +S(-2) 7.201e-08 + HS- 5.037e-08 3.316e-08 -7.298 -7.479 -0.182 21.14 + H2S 2.164e-08 2.352e-08 -7.665 -7.628 0.036 36.27 + S-2 2.048e-13 4.936e-14 -12.689 -13.307 -0.618 (0) + (H2S)2 2.682e-17 2.916e-17 -16.572 -16.535 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -209029,12 +207944,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -209046,21 +207961,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.73 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -209090,18 +208005,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -209115,8 +208030,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -209140,8 +208055,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -209161,16 +208076,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -209197,21 +208111,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -209239,18 +208153,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -209264,8 +208178,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -209289,8 +208203,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -209310,16 +208224,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -209346,21 +208259,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -209397,18 +208310,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.065 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.064 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.028e-12 + Electrical balance (eq) = -9.883e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -209422,8 +208335,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.992e-12 - CH4 3.992e-12 4.340e-12 -11.399 -11.363 0.036 35.46 +C(-4) 3.913e-12 + CH4 3.913e-12 4.254e-12 -11.408 -11.371 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -209447,8 +208360,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.160e-11 - H2 5.800e-12 6.306e-12 -11.237 -11.200 0.036 28.61 +H(0) 1.154e-11 + H2 5.771e-12 6.274e-12 -11.239 -11.202 0.036 28.61 Hto 5.072e-07 Hto 5.072e-07 5.072e-07 -6.295 -6.295 0.000 (0) I 6.917e-07 @@ -209468,16 +208381,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.791e-07 Nat+ 2.791e-07 2.791e-07 -6.554 -6.554 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.025 -69.988 0.036 30.40 -S(-2) 6.257e-09 - HS- 4.375e-09 2.880e-09 -8.359 -8.541 -0.182 21.14 - H2S 1.882e-09 2.047e-09 -8.725 -8.689 0.036 36.27 - S-2 1.776e-14 4.281e-15 -13.751 -14.369 -0.618 (0) - (H2S)2 2.030e-19 2.207e-19 -18.693 -18.656 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.020 -69.984 0.036 30.40 +S(-2) 6.134e-09 + HS- 4.289e-09 2.823e-09 -8.368 -8.549 -0.182 21.14 + H2S 1.845e-09 2.006e-09 -8.734 -8.698 0.036 36.27 + S-2 1.741e-14 4.196e-15 -13.759 -14.377 -0.618 (0) + (H2S)2 1.951e-19 2.121e-19 -18.710 -18.674 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -209504,21 +208416,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.56 -11.36 -2.80 CH4 + CH4(g) -8.57 -11.37 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.69 -15.63 -7.94 H2S + H2S(g) -7.70 -15.64 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.10 -69.99 -2.89 O2 + O2(g) -67.09 -69.98 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.52 -0.64 4.88 S + Sulfur -5.53 -0.65 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -209542,7 +208454,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -5.074e-14 Surface + diffuse layer charge, eq + -5.251e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -209552,7 +208464,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -209564,7 +208476,7 @@ Su Cl 4.6647e-10 H 1.2948e-04 Hto 5.2955e-08 - I 7.2130e-20 + I 7.2117e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -209599,18 +208511,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.114 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.113 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.945e-09 + Electrical balance (eq) = 1.677e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -209624,8 +208536,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 9.793e-12 - CH4 9.793e-12 1.065e-11 -11.009 -10.973 0.036 35.46 +C(-4) 9.743e-12 + CH4 9.743e-12 1.059e-11 -11.011 -10.975 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -209644,13 +208556,13 @@ Ca 2.590e-02 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.010e-06 9.796e-06 -5.045 -5.009 0.036 -14.60 - CaOH+ 1.876e-08 1.371e-08 -7.727 -7.863 -0.136 (0) + CaOH+ 1.875e-08 1.371e-08 -7.727 -7.863 -0.136 (0) CaHSO4+ 1.066e-09 7.793e-10 -8.972 -9.108 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.452e-11 - H2 7.259e-12 7.892e-12 -11.139 -11.103 0.036 28.61 + HCl 3.953e-09 5.643e-09 -8.403 -8.248 0.155 (0) +H(0) 1.450e-11 + H2 7.250e-12 7.882e-12 -11.140 -11.103 0.036 28.61 Hto 4.488e-07 Hto 4.488e-07 4.488e-07 -6.348 -6.348 0.000 (0) I 6.121e-07 @@ -209670,16 +208582,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.542e-07 Nat+ 2.542e-07 2.542e-07 -6.595 -6.595 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.219 -70.183 0.036 30.40 -S(-2) 1.535e-08 - HS- 1.073e-08 7.065e-09 -7.969 -8.151 -0.182 21.14 - H2S 4.617e-09 5.019e-09 -8.336 -8.299 0.036 36.27 - S-2 4.357e-14 1.050e-14 -13.361 -13.979 -0.618 (0) - (H2S)2 1.221e-18 1.328e-18 -17.913 -17.877 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.218 -70.182 0.036 30.40 +S(-2) 1.527e-08 + HS- 1.068e-08 7.030e-09 -7.971 -8.153 -0.182 21.14 + H2S 4.593e-09 4.994e-09 -8.338 -8.302 0.036 36.27 + S-2 4.335e-14 1.045e-14 -13.363 -13.981 -0.618 (0) + (H2S)2 1.209e-18 1.314e-18 -17.918 -17.881 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -209713,7 +208624,7 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.00 -11.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.30 -15.24 -7.94 H2S + H2S(g) -7.31 -15.24 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -209754,7 +208665,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -209766,7 +208677,7 @@ Su Cl 4.6609e-10 H 1.2950e-04 Hto 3.5338e-08 - I 4.4516e-20 + I 4.4522e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -209802,18 +208713,18 @@ Su pH = 7.091 Charge balance pe = -3.176 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.199e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.188e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -209826,8 +208737,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.065e-11 - CH4 3.065e-11 3.332e-11 -10.514 -10.477 0.036 35.46 +C(-4) 3.072e-11 + CH4 3.072e-11 3.340e-11 -10.513 -10.476 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -209851,8 +208762,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.950e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.931e-11 - H2 9.656e-12 1.050e-11 -11.015 -10.979 0.036 28.61 +H(0) 1.933e-11 + H2 9.663e-12 1.051e-11 -11.015 -10.979 0.036 28.61 Hto 2.995e-07 Hto 2.995e-07 2.995e-07 -6.524 -6.524 0.000 (0) I 3.779e-07 @@ -209872,16 +208783,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.536e-07 Nat+ 1.536e-07 1.536e-07 -6.814 -6.814 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.467 -70.431 0.036 30.40 -S(-2) 4.802e-08 - HS- 3.358e-08 2.211e-08 -7.474 -7.655 -0.182 21.14 - H2S 1.443e-08 1.569e-08 -7.841 -7.804 0.036 36.27 - S-2 1.365e-13 3.289e-14 -12.865 -13.483 -0.618 (0) - (H2S)2 1.194e-17 1.298e-17 -16.923 -16.887 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.468 -70.432 0.036 30.40 +S(-2) 4.814e-08 + HS- 3.367e-08 2.217e-08 -7.473 -7.654 -0.182 21.14 + H2S 1.447e-08 1.573e-08 -7.840 -7.803 0.036 36.27 + S-2 1.368e-13 3.298e-14 -12.864 -13.482 -0.618 (0) + (H2S)2 1.200e-17 1.304e-17 -16.921 -16.885 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -209908,21 +208818,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.68 -10.48 -2.80 CH4 + CH4(g) -7.67 -10.48 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.88 -10.98 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.81 -14.75 -7.94 H2S + H2S(g) -6.81 -14.74 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.54 -70.43 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.86 0.02 4.88 S + Sulfur -4.86 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -209946,7 +208856,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.913e-11 Surface + diffuse layer charge, eq + -9.917e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -209956,7 +208866,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -209968,11 +208878,11 @@ Su Cl 4.6592e-10 H 1.2950e-04 Hto 1.9843e-08 - I 2.2794e-20 + I 2.2797e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.0862e-08 + Nat 4.0861e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -210004,17 +208914,17 @@ Su pH = 7.091 Charge balance pe = -3.191 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.133e-09 + Electrical balance (eq) = -2.484e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -210025,11 +208935,11 @@ Su Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.875e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 + OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.003e-11 - CH4 4.003e-11 4.353e-11 -10.398 -10.361 0.036 35.46 +C(-4) 4.036e-11 + CH4 4.036e-11 4.388e-11 -10.394 -10.358 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -210053,8 +208963,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.065e-11 - H2 1.032e-11 1.122e-11 -10.986 -10.950 0.036 28.61 +H(0) 2.069e-11 + H2 1.035e-11 1.125e-11 -10.985 -10.949 0.036 28.61 Hto 1.682e-07 Hto 1.682e-07 1.682e-07 -6.774 -6.774 0.000 (0) I 1.935e-07 @@ -210074,16 +208984,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 6.953e-08 Nat+ 6.953e-08 6.953e-08 -7.158 -7.158 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.525 -70.489 0.036 30.40 -S(-2) 6.272e-08 - HS- 4.387e-08 2.888e-08 -7.358 -7.539 -0.182 21.14 - H2S 1.885e-08 2.049e-08 -7.725 -7.688 0.036 36.27 - S-2 1.783e-13 4.298e-14 -12.749 -13.367 -0.618 (0) - (H2S)2 2.035e-17 2.213e-17 -16.691 -16.655 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.527 -70.491 0.036 30.40 +S(-2) 6.322e-08 + HS- 4.422e-08 2.911e-08 -7.354 -7.536 -0.182 21.14 + H2S 1.900e-08 2.066e-08 -7.721 -7.685 0.036 36.27 + S-2 1.797e-13 4.333e-14 -12.745 -13.363 -0.618 (0) + (H2S)2 2.068e-17 2.249e-17 -16.684 -16.648 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -210148,7 +209057,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -9.977e-11 Surface + diffuse layer charge, eq + -9.994e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -210158,7 +209067,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -210167,14 +209076,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6586e-10 + Cl 4.6584e-10 H 1.2950e-04 - Hto 9.4350e-09 + Hto 9.4348e-09 I 9.7508e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4421e-08 + Nat 1.4420e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -210205,18 +209114,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.196 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.197 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.143e-09 + Electrical balance (eq) = -2.495e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -210228,17 +209137,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.047e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.390e-11 - CH4 4.390e-11 4.773e-11 -10.358 -10.321 0.036 35.46 +C(-4) 4.450e-11 + CH4 4.450e-11 4.838e-11 -10.352 -10.315 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 @@ -210249,14 +209158,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.113e-11 - H2 1.057e-11 1.149e-11 -10.976 -10.940 0.036 28.61 +H(0) 2.120e-11 + H2 1.060e-11 1.153e-11 -10.975 -10.938 0.036 28.61 Hto 7.996e-08 Hto 7.996e-08 7.996e-08 -7.097 -7.097 0.000 (0) I 8.276e-08 @@ -210276,16 +209185,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.454e-08 Nat+ 2.454e-08 2.454e-08 -7.610 -7.610 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.546 -70.509 0.036 30.40 -S(-2) 6.878e-08 - HS- 4.811e-08 3.167e-08 -7.318 -7.499 -0.182 21.14 - H2S 2.067e-08 2.247e-08 -7.685 -7.648 0.036 36.27 - S-2 1.956e-13 4.714e-14 -12.709 -13.327 -0.618 (0) - (H2S)2 2.447e-17 2.660e-17 -16.611 -16.575 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.548 -70.512 0.036 30.40 +S(-2) 6.971e-08 + HS- 4.877e-08 3.210e-08 -7.312 -7.493 -0.182 21.14 + H2S 2.095e-08 2.278e-08 -7.679 -7.643 0.036 36.27 + S-2 1.982e-13 4.779e-14 -12.703 -13.321 -0.618 (0) + (H2S)2 2.514e-17 2.733e-17 -16.600 -16.563 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -210312,21 +209220,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.52 -10.32 -2.80 CH4 + CH4(g) -7.51 -10.32 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.59 -7.94 H2S + H2S(g) -6.65 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.62 -70.51 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.74 0.14 4.88 S + Sulfur -4.74 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -210350,7 +209258,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -9.972e-11 Surface + diffuse layer charge, eq + -9.997e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -210360,7 +209268,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -210369,14 +209277,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6583e-10 - H 1.2950e-04 - Hto 3.8328e-09 - I 3.5234e-21 + Cl 4.6582e-10 + H 1.2951e-04 + Hto 3.8327e-09 + I 3.5230e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.1038e-09 + Nat 4.1035e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -210400,25 +209308,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.983e-09 8.227e-10 + Nat 6.983e-09 8.226e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.139e-09 + Electrical balance (eq) = -2.493e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -210432,8 +209340,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.527e-11 - CH4 4.527e-11 4.922e-11 -10.344 -10.308 0.036 35.46 +C(-4) 4.608e-11 + CH4 4.608e-11 5.010e-11 -10.336 -10.300 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -210445,20 +209353,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.129e-11 - H2 1.065e-11 1.158e-11 -10.973 -10.936 0.036 28.61 +H(0) 2.139e-11 + H2 1.069e-11 1.163e-11 -10.971 -10.935 0.036 28.61 Hto 3.248e-08 Hto 3.248e-08 3.248e-08 -7.488 -7.488 0.000 (0) I 2.990e-08 @@ -210473,21 +209381,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 6.983e-09 Nat+ 6.983e-09 6.983e-09 -8.156 -8.156 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.552 -70.516 0.036 30.40 -S(-2) 7.092e-08 - HS- 4.961e-08 3.266e-08 -7.304 -7.486 -0.182 21.14 - H2S 2.131e-08 2.317e-08 -7.671 -7.635 0.036 36.27 - S-2 2.017e-13 4.862e-14 -12.695 -13.313 -0.618 (0) - (H2S)2 2.602e-17 2.829e-17 -16.585 -16.548 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.556 -70.520 0.036 30.40 +S(-2) 7.219e-08 + HS- 5.050e-08 3.324e-08 -7.297 -7.478 -0.182 21.14 + H2S 2.169e-08 2.358e-08 -7.664 -7.627 0.036 36.27 + S-2 2.053e-13 4.948e-14 -12.688 -13.306 -0.618 (0) + (H2S)2 2.695e-17 2.930e-17 -16.569 -16.533 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -210502,7 +209409,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -210514,21 +209421,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.52 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -210552,7 +209459,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.956e-11 Surface + diffuse layer charge, eq + -9.984e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -210562,7 +209469,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -210571,14 +209478,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6583e-10 - H 1.2950e-04 - Hto 1.3432e-09 + Cl 4.6581e-10 + H 1.2951e-04 + Hto 1.3431e-09 I 1.0879e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.6703e-10 + Nat 9.6693e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -210602,25 +209509,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.646e-09 1.939e-10 + Nat 1.645e-09 1.938e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.135e-09 + Electrical balance (eq) = -2.490e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -210634,33 +209541,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.562e-11 - CH4 4.562e-11 4.960e-11 -10.341 -10.304 0.036 35.46 +C(-4) 4.654e-11 + CH4 4.654e-11 5.060e-11 -10.332 -10.296 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.134e-11 - H2 1.067e-11 1.160e-11 -10.972 -10.936 0.036 28.61 +H(0) 2.144e-11 + H2 1.072e-11 1.166e-11 -10.970 -10.933 0.036 28.61 Hto 1.138e-08 Hto 1.138e-08 1.138e-08 -7.944 -7.944 0.000 (0) I 9.235e-09 @@ -210680,16 +209587,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.646e-09 - Nat+ 1.646e-09 1.646e-09 -8.784 -8.784 -0.000 (0) +Nat 1.645e-09 + Nat+ 1.645e-09 1.645e-09 -8.784 -8.784 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.554 -70.518 0.036 30.40 -S(-2) 7.147e-08 - HS- 5.000e-08 3.291e-08 -7.301 -7.483 -0.182 21.14 - H2S 2.148e-08 2.335e-08 -7.668 -7.632 0.036 36.27 - S-2 2.032e-13 4.899e-14 -12.692 -13.310 -0.618 (0) - (H2S)2 2.642e-17 2.873e-17 -16.578 -16.542 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.558 -70.522 0.036 30.40 +S(-2) 7.291e-08 + HS- 5.100e-08 3.358e-08 -7.292 -7.474 -0.182 21.14 + H2S 2.191e-08 2.382e-08 -7.659 -7.623 0.036 36.27 + S-2 2.074e-13 4.998e-14 -12.683 -13.301 -0.618 (0) + (H2S)2 2.750e-17 2.990e-17 -16.561 -16.524 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -210698,13 +209604,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -210716,21 +209622,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.57 -7.94 H2S + H2S(g) -6.63 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -210754,7 +209660,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.943e-11 Surface + diffuse layer charge, eq + -9.971e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -210764,7 +209670,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -210773,14 +209679,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6583e-10 - H 1.2950e-04 - Hto 4.0985e-10 - I 2.9050e-22 + Cl 4.6581e-10 + H 1.2951e-04 + Hto 4.0982e-10 + I 2.9044e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.9262e-10 + Nat 1.9260e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -210804,25 +209710,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.278e-10 3.861e-11 + Nat 3.277e-10 3.861e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.133e-09 + Electrical balance (eq) = -2.487e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -210836,33 +209742,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.557e-11 - CH4 4.557e-11 4.955e-11 -10.341 -10.305 0.036 35.46 +C(-4) 4.654e-11 + CH4 4.654e-11 5.060e-11 -10.332 -10.296 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.133e-11 - H2 1.066e-11 1.159e-11 -10.972 -10.936 0.036 28.61 +H(0) 2.144e-11 + H2 1.072e-11 1.166e-11 -10.970 -10.933 0.036 28.61 Hto 3.473e-09 Hto 3.473e-09 3.473e-09 -8.459 -8.459 0.000 (0) I 2.465e-09 @@ -210877,21 +209783,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 3.278e-10 - Nat+ 3.278e-10 3.278e-10 -9.484 -9.484 -0.000 (0) +Nat 3.277e-10 + Nat+ 3.277e-10 3.277e-10 -9.484 -9.484 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.554 -70.517 0.036 30.40 -S(-2) 7.139e-08 - HS- 4.994e-08 3.287e-08 -7.302 -7.483 -0.182 21.14 - H2S 2.145e-08 2.332e-08 -7.669 -7.632 0.036 36.27 - S-2 2.030e-13 4.894e-14 -12.692 -13.310 -0.618 (0) - (H2S)2 2.636e-17 2.866e-17 -16.579 -16.543 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.558 -70.522 0.036 30.40 +S(-2) 7.290e-08 + HS- 5.100e-08 3.357e-08 -7.292 -7.474 -0.182 21.14 + H2S 2.190e-08 2.382e-08 -7.659 -7.623 0.036 36.27 + S-2 2.073e-13 4.998e-14 -12.683 -13.301 -0.618 (0) + (H2S)2 2.749e-17 2.989e-17 -16.561 -16.525 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -210900,7 +209805,7 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 @@ -210918,21 +209823,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.57 -7.94 H2S + H2S(g) -6.63 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.52 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -210956,7 +209861,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.931e-11 Surface + diffuse layer charge, eq + -9.959e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -210966,7 +209871,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -210975,14 +209880,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6583e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 1.0982e-10 - I 6.7700e-23 + Hto 1.0981e-10 + I 6.7687e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2963e-11 + Nat 3.2958e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -211001,30 +209906,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.307e-10 1.096e-10 + Hto 9.306e-10 1.096e-10 I 5.746e-10 6.770e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.609e-11 6.608e-12 + Nat 5.608e-11 6.607e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.615e-09 + Electrical balance (eq) = -1.971e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -211038,8 +209943,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.538e-11 - CH4 4.538e-11 4.934e-11 -10.343 -10.307 0.036 35.46 +C(-4) 4.636e-11 + CH4 4.636e-11 5.041e-11 -10.334 -10.298 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -211051,22 +209956,22 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.131e-11 - H2 1.065e-11 1.158e-11 -10.973 -10.936 0.036 28.61 -Hto 9.307e-10 - Hto 9.307e-10 9.307e-10 -9.031 -9.031 0.000 (0) +H(0) 2.142e-11 + H2 1.071e-11 1.164e-11 -10.970 -10.934 0.036 28.61 +Hto 9.306e-10 + Hto 9.306e-10 9.306e-10 -9.031 -9.031 0.000 (0) I 5.746e-10 I- 5.746e-10 5.746e-10 -9.241 -9.241 -0.000 (0) K 1.540e-03 @@ -211079,21 +209984,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 5.609e-11 - Nat+ 5.609e-11 5.609e-11 -10.251 -10.251 -0.000 (0) +Nat 5.608e-11 + Nat+ 5.608e-11 5.608e-11 -10.251 -10.251 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.553 -70.516 0.036 30.40 -S(-2) 7.109e-08 - HS- 4.973e-08 3.274e-08 -7.303 -7.485 -0.182 21.14 - H2S 2.136e-08 2.322e-08 -7.670 -7.634 0.036 36.27 - S-2 2.022e-13 4.873e-14 -12.694 -13.312 -0.618 (0) - (H2S)2 2.614e-17 2.842e-17 -16.583 -16.546 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.557 -70.521 0.036 30.40 +S(-2) 7.263e-08 + HS- 5.080e-08 3.344e-08 -7.294 -7.476 -0.182 21.14 + H2S 2.182e-08 2.373e-08 -7.661 -7.625 0.036 36.27 + S-2 2.065e-13 4.979e-14 -12.685 -13.303 -0.618 (0) + (H2S)2 2.728e-17 2.966e-17 -16.564 -16.528 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -211108,7 +210012,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -211120,21 +210024,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.52 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -211158,7 +210062,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.922e-11 Surface + diffuse layer charge, eq + -9.950e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -211168,7 +210072,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -211177,14 +210081,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 2.6037e-11 - I 1.3899e-23 + Hto 2.6034e-11 + I 1.3901e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.9093e-12 + Nat 4.9084e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -211203,30 +210107,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.207e-10 2.599e-11 + Hto 2.206e-10 2.599e-11 I 1.180e-10 1.390e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.354e-12 9.841e-13 + Nat 8.352e-12 9.840e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.565e-09 + Electrical balance (eq) = -1.919e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -211240,8 +210144,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.521e-11 - CH4 4.521e-11 4.915e-11 -10.345 -10.308 0.036 35.46 +C(-4) 4.619e-11 + CH4 4.619e-11 5.022e-11 -10.335 -10.299 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -211253,22 +210157,22 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.129e-11 - H2 1.064e-11 1.157e-11 -10.973 -10.937 0.036 28.61 -Hto 2.207e-10 - Hto 2.207e-10 2.207e-10 -9.656 -9.656 0.000 (0) +H(0) 2.140e-11 + H2 1.070e-11 1.163e-11 -10.971 -10.934 0.036 28.61 +Hto 2.206e-10 + Hto 2.206e-10 2.206e-10 -9.656 -9.656 0.000 (0) I 1.180e-10 I- 1.180e-10 1.180e-10 -9.928 -9.928 -0.000 (0) K 1.540e-03 @@ -211281,21 +210185,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) -Nat 8.354e-12 - Nat+ 8.354e-12 8.354e-12 -11.078 -11.078 -0.000 (0) +Nat 8.352e-12 + Nat+ 8.352e-12 8.352e-12 -11.078 -11.078 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.552 -70.516 0.036 30.40 -S(-2) 7.082e-08 - HS- 4.954e-08 3.261e-08 -7.305 -7.487 -0.182 21.14 - H2S 2.128e-08 2.314e-08 -7.672 -7.636 0.036 36.27 - S-2 2.014e-13 4.854e-14 -12.696 -13.314 -0.618 (0) - (H2S)2 2.594e-17 2.820e-17 -16.586 -16.550 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.557 -70.520 0.036 30.40 +S(-2) 7.236e-08 + HS- 5.062e-08 3.332e-08 -7.296 -7.477 -0.182 21.14 + H2S 2.174e-08 2.364e-08 -7.663 -7.626 0.036 36.27 + S-2 2.058e-13 4.960e-14 -12.687 -13.304 -0.618 (0) + (H2S)2 2.708e-17 2.945e-17 -16.567 -16.531 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -211305,12 +210208,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -211322,21 +210225,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.52 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -211360,7 +210263,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.918e-11 Surface + diffuse layer charge, eq + -9.945e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -211370,7 +210273,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -211379,14 +210282,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 5.4981e-12 - I 2.5320e-24 + Hto 5.4976e-12 + I 2.5324e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.4299e-13 + Nat 6.4287e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -211417,18 +210320,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.020e-09 + Electrical balance (eq) = -2.374e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -211442,8 +210345,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.513e-11 - CH4 4.513e-11 4.907e-11 -10.346 -10.309 0.036 35.46 +C(-4) 4.612e-11 + CH4 4.612e-11 5.014e-11 -10.336 -10.300 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -211455,20 +210358,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.128e-11 - H2 1.064e-11 1.157e-11 -10.973 -10.937 0.036 28.61 +H(0) 2.139e-11 + H2 1.070e-11 1.163e-11 -10.971 -10.934 0.036 28.61 Hto 4.659e-11 Hto 4.659e-11 4.659e-11 -10.332 -10.332 0.000 (0) I 2.149e-11 @@ -211483,21 +210386,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.094e-12 Nat+ 1.094e-12 1.094e-12 -11.961 -11.961 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.552 -70.515 0.036 30.40 -S(-2) 7.070e-08 - HS- 4.946e-08 3.256e-08 -7.306 -7.487 -0.182 21.14 - H2S 2.124e-08 2.310e-08 -7.673 -7.636 0.036 36.27 - S-2 2.011e-13 4.846e-14 -12.697 -13.315 -0.618 (0) - (H2S)2 2.586e-17 2.811e-17 -16.587 -16.551 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.556 -70.520 0.036 30.40 +S(-2) 7.225e-08 + HS- 5.054e-08 3.327e-08 -7.296 -7.478 -0.182 21.14 + H2S 2.171e-08 2.360e-08 -7.663 -7.627 0.036 36.27 + S-2 2.055e-13 4.953e-14 -12.687 -13.305 -0.618 (0) + (H2S)2 2.700e-17 2.935e-17 -16.569 -16.532 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -211507,12 +210409,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -211524,21 +210426,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.52 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -211562,7 +210464,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.917e-11 Surface + diffuse layer charge, eq + -9.945e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -211572,7 +210474,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -211581,14 +210483,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 1.0401e-12 - I 4.1197e-25 + Hto 1.0399e-12 + I 4.1203e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.4694e-14 + Nat 7.4677e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -211607,7 +210509,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.814e-12 1.038e-12 + Hto 8.813e-12 1.038e-12 I 3.497e-12 4.120e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -211619,18 +210521,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.034e-09 + Electrical balance (eq) = -2.388e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -211644,8 +210546,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.519e-11 - CH4 4.519e-11 4.913e-11 -10.345 -10.309 0.036 35.46 +C(-4) 4.617e-11 + CH4 4.617e-11 5.020e-11 -10.336 -10.299 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -211657,22 +210559,22 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.128e-11 - H2 1.064e-11 1.157e-11 -10.973 -10.937 0.036 28.61 -Hto 8.814e-12 - Hto 8.814e-12 8.814e-12 -11.055 -11.055 0.000 (0) +H(0) 2.140e-11 + H2 1.070e-11 1.163e-11 -10.971 -10.934 0.036 28.61 +Hto 8.813e-12 + Hto 8.813e-12 8.813e-12 -11.055 -11.055 0.000 (0) I 3.497e-12 I- 3.497e-12 3.497e-12 -11.456 -11.456 -0.000 (0) K 1.540e-03 @@ -211685,21 +210587,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 1.271e-13 Nat+ 1.271e-13 1.271e-13 -12.896 -12.896 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.552 -70.515 0.036 30.40 -S(-2) 7.079e-08 - HS- 4.952e-08 3.260e-08 -7.305 -7.487 -0.182 21.14 - H2S 2.127e-08 2.313e-08 -7.672 -7.636 0.036 36.27 - S-2 2.013e-13 4.852e-14 -12.696 -13.314 -0.618 (0) - (H2S)2 2.592e-17 2.818e-17 -16.586 -16.550 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.556 -70.520 0.036 30.40 +S(-2) 7.233e-08 + HS- 5.060e-08 3.331e-08 -7.296 -7.477 -0.182 21.14 + H2S 2.173e-08 2.363e-08 -7.663 -7.627 0.036 36.27 + S-2 2.057e-13 4.958e-14 -12.687 -13.305 -0.618 (0) + (H2S)2 2.706e-17 2.942e-17 -16.568 -16.531 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -211709,12 +210610,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -211726,21 +210627,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.52 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -211764,7 +210665,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.925e-11 Surface + diffuse layer charge, eq + -9.953e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -211774,7 +210675,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -211783,14 +210684,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6583e-10 + Cl 4.6582e-10 H 1.2950e-04 - Hto 1.7713e-13 - I 6.0218e-26 + Hto 1.7711e-13 + I 6.0206e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.7500e-15 + Nat 7.7480e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -211814,25 +210715,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.319e-14 1.554e-15 + Nat 1.318e-14 1.553e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.438e-10 + Electrical balance (eq) = -8.979e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -211846,8 +210747,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.537e-11 - CH4 4.537e-11 4.932e-11 -10.343 -10.307 0.036 35.46 +C(-4) 4.635e-11 + CH4 4.635e-11 5.040e-11 -10.334 -10.298 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -211859,20 +210760,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.131e-11 - H2 1.065e-11 1.158e-11 -10.973 -10.936 0.036 28.61 +H(0) 2.142e-11 + H2 1.071e-11 1.164e-11 -10.970 -10.934 0.036 28.61 Hto 1.501e-12 Hto 1.501e-12 1.501e-12 -11.824 -11.824 0.000 (0) I 5.111e-13 @@ -211887,21 +210788,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.319e-14 - Nat+ 1.319e-14 1.319e-14 -13.880 -13.880 -0.000 (0) +Nat 1.318e-14 + Nat+ 1.318e-14 1.318e-14 -13.880 -13.880 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.553 -70.516 0.036 30.40 -S(-2) 7.107e-08 - HS- 4.971e-08 3.273e-08 -7.304 -7.485 -0.182 21.14 - H2S 2.135e-08 2.322e-08 -7.671 -7.634 0.036 36.27 - S-2 2.021e-13 4.871e-14 -12.694 -13.312 -0.618 (0) - (H2S)2 2.612e-17 2.840e-17 -16.583 -16.547 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.557 -70.521 0.036 30.40 +S(-2) 7.261e-08 + HS- 5.079e-08 3.344e-08 -7.294 -7.476 -0.182 21.14 + H2S 2.182e-08 2.372e-08 -7.661 -7.625 0.036 36.27 + S-2 2.065e-13 4.978e-14 -12.685 -13.303 -0.618 (0) + (H2S)2 2.727e-17 2.965e-17 -16.564 -16.528 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -211916,7 +210816,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -211928,21 +210828,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.58 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.52 -2.89 O2 + O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -211966,7 +210866,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.932e-11 Surface + diffuse layer charge, eq + -9.960e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -211976,7 +210876,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -211985,14 +210885,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6583e-10 - H 1.2950e-04 - Hto 2.7275e-14 + Cl 4.6581e-10 + H 1.2951e-04 + Hto 2.7271e-14 I 7.9407e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.2238e-16 + Nat 7.2218e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -212023,18 +210923,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.130e-09 + Electrical balance (eq) = -2.484e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -212048,33 +210948,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.561e-11 - CH4 4.561e-11 4.959e-11 -10.341 -10.305 0.036 35.46 +C(-4) 4.660e-11 + CH4 4.660e-11 5.066e-11 -10.332 -10.295 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.133e-11 - H2 1.067e-11 1.160e-11 -10.972 -10.936 0.036 28.61 +H(0) 2.145e-11 + H2 1.072e-11 1.166e-11 -10.970 -10.933 0.036 28.61 Hto 2.311e-13 Hto 2.311e-13 2.311e-13 -12.636 -12.636 0.000 (0) I 6.740e-14 @@ -212089,21 +210989,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.229e-15 Nat+ 1.229e-15 1.229e-15 -14.910 -14.910 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.554 -70.517 0.036 30.40 -S(-2) 7.145e-08 - HS- 4.998e-08 3.290e-08 -7.301 -7.483 -0.182 21.14 - H2S 2.147e-08 2.334e-08 -7.668 -7.632 0.036 36.27 - S-2 2.032e-13 4.898e-14 -12.692 -13.310 -0.618 (0) - (H2S)2 2.641e-17 2.871e-17 -16.578 -16.542 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.558 -70.522 0.036 30.40 +S(-2) 7.299e-08 + HS- 5.106e-08 3.361e-08 -7.292 -7.473 -0.182 21.14 + H2S 2.193e-08 2.385e-08 -7.659 -7.623 0.036 36.27 + S-2 2.076e-13 5.004e-14 -12.683 -13.301 -0.618 (0) + (H2S)2 2.756e-17 2.996e-17 -16.560 -16.523 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -212112,13 +211011,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -212130,21 +211029,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.30 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.57 -7.94 H2S + H2S(g) -6.63 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -212168,7 +211067,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.940e-11 Surface + diffuse layer charge, eq + -9.968e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -212178,7 +211077,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -212187,14 +211086,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6583e-10 - H 1.2950e-04 - Hto 3.8114e-15 + Cl 4.6581e-10 + H 1.2951e-04 + Hto 3.8107e-15 I 9.4880e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.0785e-17 + Nat 6.0766e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -212213,30 +211112,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.230e-14 3.805e-15 + Hto 3.229e-14 3.805e-15 I 8.052e-15 9.486e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.034e-16 1.219e-17 + Nat 1.034e-16 1.218e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.133e-09 + Electrical balance (eq) = -2.487e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -212248,37 +211147,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.581e-11 - CH4 4.581e-11 4.981e-11 -10.339 -10.303 0.036 35.46 +C(-4) 4.680e-11 + CH4 4.680e-11 5.088e-11 -10.330 -10.293 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.136e-11 - H2 1.068e-11 1.161e-11 -10.971 -10.935 0.036 28.61 -Hto 3.230e-14 - Hto 3.230e-14 3.230e-14 -13.491 -13.491 0.000 (0) +H(0) 2.147e-11 + H2 1.074e-11 1.167e-11 -10.969 -10.933 0.036 28.61 +Hto 3.229e-14 + Hto 3.229e-14 3.229e-14 -13.491 -13.491 0.000 (0) I 8.052e-15 I- 8.052e-15 8.052e-15 -14.094 -14.094 -0.000 (0) K 1.540e-03 @@ -212296,16 +211195,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.034e-16 Nat+ 1.034e-16 1.034e-16 -15.985 -15.985 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.555 -70.518 0.036 30.40 -S(-2) 7.177e-08 - HS- 5.020e-08 3.305e-08 -7.299 -7.481 -0.182 21.14 - H2S 2.156e-08 2.345e-08 -7.666 -7.630 0.036 36.27 - S-2 2.041e-13 4.920e-14 -12.690 -13.308 -0.618 (0) - (H2S)2 2.664e-17 2.897e-17 -16.574 -16.538 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.559 -70.523 0.036 30.40 +S(-2) 7.331e-08 + HS- 5.129e-08 3.376e-08 -7.290 -7.472 -0.182 21.14 + H2S 2.203e-08 2.395e-08 -7.657 -7.621 0.036 36.27 + S-2 2.085e-13 5.026e-14 -12.681 -13.299 -0.618 (0) + (H2S)2 2.780e-17 3.023e-17 -16.556 -16.520 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -212314,13 +211212,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -212332,21 +211230,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.57 -7.94 H2S + H2S(g) -6.63 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.16 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -212370,7 +211268,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.943e-11 Surface + diffuse layer charge, eq + -9.971e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -212380,7 +211278,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -212389,14 +211287,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 4.8486e-16 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 4.8476e-16 I 1.0304e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6361e-18 + Nat 4.6346e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -212415,30 +211313,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.109e-15 4.841e-16 + Hto 4.108e-15 4.840e-16 I 8.745e-16 1.030e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.889e-18 9.294e-19 + Nat 7.886e-18 9.291e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.134e-09 + Electrical balance (eq) = -2.488e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -212450,37 +211348,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.593e-11 - CH4 4.593e-11 4.994e-11 -10.338 -10.302 0.036 35.46 +C(-4) 4.692e-11 + CH4 4.692e-11 5.101e-11 -10.329 -10.292 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.137e-11 - H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 -Hto 4.109e-15 - Hto 4.109e-15 4.109e-15 -14.386 -14.386 0.000 (0) +H(0) 2.149e-11 + H2 1.074e-11 1.168e-11 -10.969 -10.933 0.036 28.61 +Hto 4.108e-15 + Hto 4.108e-15 4.108e-15 -14.386 -14.386 0.000 (0) I 8.745e-16 I- 8.745e-16 8.745e-16 -15.058 -15.058 -0.000 (0) K 1.540e-03 @@ -212498,16 +211396,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 7.889e-18 - Nat+ 7.889e-18 7.889e-18 -17.103 -17.103 -0.000 (0) +Nat 7.886e-18 + Nat+ 7.886e-18 7.886e-18 -17.103 -17.103 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.555 -70.519 0.036 30.40 -S(-2) 7.195e-08 - HS- 5.033e-08 3.313e-08 -7.298 -7.480 -0.182 21.14 - H2S 2.162e-08 2.351e-08 -7.665 -7.629 0.036 36.27 - S-2 2.046e-13 4.932e-14 -12.689 -13.307 -0.618 (0) - (H2S)2 2.678e-17 2.912e-17 -16.572 -16.536 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 +S(-2) 7.350e-08 + HS- 5.141e-08 3.385e-08 -7.289 -7.470 -0.182 21.14 + H2S 2.208e-08 2.401e-08 -7.656 -7.620 0.036 36.27 + S-2 2.090e-13 5.039e-14 -12.680 -13.298 -0.618 (0) + (H2S)2 2.794e-17 3.038e-17 -16.554 -16.517 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -212516,13 +211413,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -212534,21 +211431,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.63 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.16 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -212572,7 +211469,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.944e-11 Surface + diffuse layer charge, eq + -9.972e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -212582,7 +211479,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -212591,14 +211488,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 5.6302e-17 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 5.6291e-17 I 1.0203e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.2160e-19 + Nat 3.2148e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -212617,30 +211514,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.771e-16 5.621e-17 + Hto 4.770e-16 5.620e-17 I 8.660e-17 1.020e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.472e-19 6.447e-20 + Nat 5.470e-19 6.445e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.134e-09 + Electrical balance (eq) = -2.488e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -212652,37 +211549,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.598e-11 - CH4 4.598e-11 4.999e-11 -10.337 -10.301 0.036 35.46 +C(-4) 4.697e-11 + CH4 4.697e-11 5.107e-11 -10.328 -10.292 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.138e-11 - H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 -Hto 4.771e-16 - Hto 4.771e-16 4.771e-16 -15.321 -15.321 0.000 (0) +H(0) 2.149e-11 + H2 1.075e-11 1.168e-11 -10.969 -10.932 0.036 28.61 +Hto 4.770e-16 + Hto 4.770e-16 4.770e-16 -15.321 -15.321 0.000 (0) I 8.660e-17 I- 8.660e-17 8.660e-17 -16.062 -16.062 -0.000 (0) K 1.540e-03 @@ -212700,16 +211597,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 5.472e-19 - Nat+ 5.472e-19 5.472e-19 -18.262 -18.262 -0.000 (0) +Nat 5.470e-19 + Nat+ 5.470e-19 5.470e-19 -18.262 -18.262 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 -S(-2) 7.203e-08 - HS- 5.039e-08 3.317e-08 -7.298 -7.479 -0.182 21.14 - H2S 2.164e-08 2.353e-08 -7.665 -7.628 0.036 36.27 - S-2 2.048e-13 4.938e-14 -12.689 -13.306 -0.618 (0) - (H2S)2 2.684e-17 2.918e-17 -16.571 -16.535 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 +S(-2) 7.358e-08 + HS- 5.147e-08 3.388e-08 -7.288 -7.470 -0.182 21.14 + H2S 2.211e-08 2.404e-08 -7.655 -7.619 0.036 36.27 + S-2 2.093e-13 5.044e-14 -12.679 -13.297 -0.618 (0) + (H2S)2 2.800e-17 3.044e-17 -16.553 -16.517 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -212718,13 +211614,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -212736,21 +211632,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.16 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -212774,7 +211670,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.944e-11 Surface + diffuse layer charge, eq + -9.972e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -212784,7 +211680,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -212793,14 +211689,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 5.9815e-18 - I 9.2348e-31 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 5.9801e-18 + I 9.2368e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.0347e-20 + Nat 2.0339e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -212819,30 +211715,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.069e-17 5.972e-18 + Hto 5.068e-17 5.970e-18 I 7.838e-18 9.234e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.462e-20 4.079e-21 + Nat 3.461e-20 4.077e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.133e-09 + Electrical balance (eq) = -2.488e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -212854,37 +211750,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.600e-11 - CH4 4.600e-11 5.001e-11 -10.337 -10.301 0.036 35.46 +C(-4) 4.699e-11 + CH4 4.699e-11 5.108e-11 -10.328 -10.292 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.138e-11 - H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 -Hto 5.069e-17 - Hto 5.069e-17 5.069e-17 -16.295 -16.295 0.000 (0) +H(0) 2.149e-11 + H2 1.075e-11 1.168e-11 -10.969 -10.932 0.036 28.61 +Hto 5.068e-17 + Hto 5.068e-17 5.068e-17 -16.295 -16.295 0.000 (0) I 7.838e-18 I- 7.838e-18 7.838e-18 -17.106 -17.106 -0.000 (0) K 1.540e-03 @@ -212902,16 +211798,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 3.462e-20 - Nat+ 3.462e-20 3.462e-20 -19.461 -19.461 -0.000 (0) +Nat 3.461e-20 + Nat+ 3.461e-20 3.461e-20 -19.461 -19.461 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 -S(-2) 7.206e-08 - HS- 5.040e-08 3.318e-08 -7.298 -7.479 -0.182 21.14 - H2S 2.165e-08 2.354e-08 -7.665 -7.628 0.036 36.27 - S-2 2.049e-13 4.939e-14 -12.688 -13.306 -0.618 (0) - (H2S)2 2.686e-17 2.920e-17 -16.571 -16.535 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 +S(-2) 7.360e-08 + HS- 5.149e-08 3.389e-08 -7.288 -7.470 -0.182 21.14 + H2S 2.212e-08 2.404e-08 -7.655 -7.619 0.036 36.27 + S-2 2.093e-13 5.046e-14 -12.679 -13.297 -0.618 (0) + (H2S)2 2.802e-17 3.046e-17 -16.553 -16.516 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -212920,13 +211815,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -212938,21 +211833,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.16 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -212976,7 +211871,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.944e-11 Surface + diffuse layer charge, eq + -9.972e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -212986,7 +211881,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -212995,14 +211890,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 5.8248e-19 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 5.8234e-19 I 7.6544e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1768e-21 + Nat 1.1763e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -213021,30 +211916,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.936e-18 5.815e-19 + Hto 4.935e-18 5.814e-19 I 6.497e-19 7.654e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.002e-21 2.359e-22 + Nat 2.002e-21 2.358e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.134e-09 + Electrical balance (eq) = -2.488e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -213056,37 +211951,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.600e-11 - CH4 4.600e-11 5.001e-11 -10.337 -10.301 0.036 35.46 +C(-4) 4.699e-11 + CH4 4.699e-11 5.109e-11 -10.328 -10.292 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.138e-11 - H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 -Hto 4.936e-18 - Hto 4.936e-18 4.936e-18 -17.307 -17.307 0.000 (0) +H(0) 2.149e-11 + H2 1.075e-11 1.168e-11 -10.969 -10.932 0.036 28.61 +Hto 4.935e-18 + Hto 4.935e-18 4.935e-18 -17.307 -17.307 0.000 (0) I 6.497e-19 I- 6.497e-19 6.497e-19 -18.187 -18.187 -0.000 (0) K 1.540e-03 @@ -213104,16 +211999,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 2.002e-21 - Nat+ 2.002e-21 2.002e-21 -20.698 -20.698 -0.000 (0) + Nat+ 2.002e-21 2.002e-21 -20.699 -20.699 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 -S(-2) 7.206e-08 - HS- 5.041e-08 3.319e-08 -7.297 -7.479 -0.182 21.14 - H2S 2.165e-08 2.354e-08 -7.664 -7.628 0.036 36.27 - S-2 2.049e-13 4.940e-14 -12.688 -13.306 -0.618 (0) - (H2S)2 2.686e-17 2.920e-17 -16.571 -16.535 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 +S(-2) 7.361e-08 + HS- 5.149e-08 3.390e-08 -7.288 -7.470 -0.182 21.14 + H2S 2.212e-08 2.405e-08 -7.655 -7.619 0.036 36.27 + S-2 2.093e-13 5.046e-14 -12.679 -13.297 -0.618 (0) + (H2S)2 2.802e-17 3.047e-17 -16.552 -16.516 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -213122,13 +212016,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -213140,21 +212034,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.16 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -213178,7 +212072,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.944e-11 Surface + diffuse layer charge, eq + -9.972e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -213188,7 +212082,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -213197,14 +212091,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 5.2097e-20 - I 5.8214e-33 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 5.2083e-20 + I 5.8207e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2167e-23 + Nat 6.2139e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -213223,30 +212117,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.415e-19 5.201e-20 + Hto 4.414e-19 5.200e-20 I 4.941e-20 5.821e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.058e-22 1.246e-23 + Nat 1.057e-22 1.246e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.134e-09 + Electrical balance (eq) = -2.488e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -213258,37 +212152,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.600e-11 - CH4 4.600e-11 5.002e-11 -10.337 -10.301 0.036 35.46 +C(-4) 4.699e-11 + CH4 4.699e-11 5.109e-11 -10.328 -10.292 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.138e-11 - H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 -Hto 4.415e-19 - Hto 4.415e-19 4.415e-19 -18.355 -18.355 0.000 (0) +H(0) 2.149e-11 + H2 1.075e-11 1.168e-11 -10.969 -10.932 0.036 28.61 +Hto 4.414e-19 + Hto 4.414e-19 4.414e-19 -18.355 -18.355 0.000 (0) I 4.941e-20 I- 4.941e-20 4.941e-20 -19.306 -19.306 -0.000 (0) K 1.540e-03 @@ -213306,16 +212200,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.058e-22 - Nat+ 1.058e-22 1.058e-22 -21.976 -21.976 -0.000 (0) +Nat 1.057e-22 + Nat+ 1.057e-22 1.057e-22 -21.976 -21.976 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 -S(-2) 7.206e-08 - HS- 5.041e-08 3.319e-08 -7.297 -7.479 -0.182 21.14 - H2S 2.165e-08 2.354e-08 -7.664 -7.628 0.036 36.27 - S-2 2.049e-13 4.940e-14 -12.688 -13.306 -0.618 (0) - (H2S)2 2.686e-17 2.921e-17 -16.571 -16.535 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 +S(-2) 7.361e-08 + HS- 5.149e-08 3.390e-08 -7.288 -7.470 -0.182 21.14 + H2S 2.212e-08 2.405e-08 -7.655 -7.619 0.036 36.27 + S-2 2.093e-13 5.046e-14 -12.679 -13.297 -0.618 (0) + (H2S)2 2.803e-17 3.047e-17 -16.552 -16.516 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -213324,13 +212217,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -213342,21 +212235,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.16 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -213380,7 +212273,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.944e-11 Surface + diffuse layer charge, eq + -9.972e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -213390,7 +212283,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -213399,14 +212292,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 4.6027e-21 - I 4.3258e-34 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 4.6014e-21 + I 4.3249e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9705e-24 + Nat 2.9691e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -213425,30 +212318,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.901e-20 4.595e-21 + Hto 3.899e-20 4.594e-21 I 3.671e-21 4.325e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.055e-24 5.955e-25 + Nat 5.052e-24 5.952e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.134e-09 + Electrical balance (eq) = -2.488e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -213460,37 +212353,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.600e-11 - CH4 4.600e-11 5.002e-11 -10.337 -10.301 0.036 35.46 +C(-4) 4.699e-11 + CH4 4.699e-11 5.109e-11 -10.328 -10.292 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.138e-11 - H2 1.069e-11 1.162e-11 -10.971 -10.935 0.036 28.61 -Hto 3.901e-20 - Hto 3.901e-20 3.901e-20 -19.409 -19.409 0.000 (0) +H(0) 2.149e-11 + H2 1.075e-11 1.168e-11 -10.969 -10.932 0.036 28.61 +Hto 3.899e-20 + Hto 3.899e-20 3.899e-20 -19.409 -19.409 0.000 (0) I 3.671e-21 I- 3.671e-21 3.671e-21 -20.435 -20.435 -0.000 (0) K 1.540e-03 @@ -213508,16 +212401,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 5.055e-24 - Nat+ 5.055e-24 5.055e-24 -23.296 -23.296 -0.000 (0) +Nat 5.052e-24 + Nat+ 5.052e-24 5.052e-24 -23.297 -23.297 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.556 -70.519 0.036 30.40 -S(-2) 7.207e-08 - HS- 5.041e-08 3.319e-08 -7.297 -7.479 -0.182 21.14 - H2S 2.165e-08 2.354e-08 -7.664 -7.628 0.036 36.27 - S-2 2.049e-13 4.940e-14 -12.688 -13.306 -0.618 (0) - (H2S)2 2.686e-17 2.921e-17 -16.571 -16.535 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 +S(-2) 7.361e-08 + HS- 5.149e-08 3.390e-08 -7.288 -7.470 -0.182 21.14 + H2S 2.212e-08 2.405e-08 -7.655 -7.619 0.036 36.27 + S-2 2.093e-13 5.046e-14 -12.679 -13.297 -0.618 (0) + (H2S)2 2.803e-17 3.047e-17 -16.552 -16.516 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -213526,13 +212418,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -213544,21 +212436,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.16 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -213588,18 +212480,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -213613,8 +212505,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -213638,8 +212530,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -213659,16 +212551,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -213695,21 +212586,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -213737,18 +212628,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -213762,8 +212653,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -213787,8 +212678,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -213808,16 +212699,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -213844,21 +212734,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -213895,18 +212785,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.067 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.066 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.029e-12 + Electrical balance (eq) = -9.895e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -213920,8 +212810,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.175e-12 - CH4 4.175e-12 4.539e-12 -11.379 -11.343 0.036 35.46 +C(-4) 4.097e-12 + CH4 4.097e-12 4.454e-12 -11.388 -11.351 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -213932,7 +212822,7 @@ C(4) 2.744e-03 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 @@ -213945,8 +212835,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.173e-11 - H2 5.865e-12 6.377e-12 -11.232 -11.195 0.036 28.61 +H(0) 1.168e-11 + H2 5.838e-12 6.347e-12 -11.234 -11.197 0.036 28.61 Hto 5.043e-07 Hto 5.043e-07 5.043e-07 -6.297 -6.297 0.000 (0) I 6.894e-07 @@ -213954,7 +212844,7 @@ I 6.894e-07 K 1.540e-03 K+ 1.517e-03 1.011e-03 -2.819 -2.995 -0.176 9.47 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 - KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 + KHCO3 6.679e-07 6.732e-07 -6.175 -6.172 0.003 41.03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 @@ -213966,16 +212856,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.768e-07 Nat+ 2.768e-07 2.768e-07 -6.558 -6.558 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.034 -69.998 0.036 30.40 -S(-2) 6.545e-09 - HS- 4.576e-09 3.012e-09 -8.340 -8.521 -0.182 21.14 - H2S 1.969e-09 2.140e-09 -8.706 -8.669 0.036 36.27 - S-2 1.857e-14 4.477e-15 -13.731 -14.349 -0.618 (0) - (H2S)2 2.221e-19 2.414e-19 -18.654 -18.617 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.030 -69.994 0.036 30.40 +S(-2) 6.422e-09 + HS- 4.490e-09 2.956e-09 -8.348 -8.529 -0.182 21.14 + H2S 1.932e-09 2.100e-09 -8.714 -8.678 0.036 36.27 + S-2 1.823e-14 4.393e-15 -13.739 -14.357 -0.618 (0) + (H2S)2 2.138e-19 2.325e-19 -18.670 -18.634 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -214002,21 +212891,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.54 -11.34 -2.80 CH4 + CH4(g) -8.55 -11.35 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.09 -11.20 -3.10 H2 + H2(g) -8.10 -11.20 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.68 -15.61 -7.94 H2S + H2S(g) -7.68 -15.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.11 -70.00 -2.89 O2 + O2(g) -67.10 -69.99 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.51 -0.62 4.88 S + Sulfur -5.51 -0.63 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -214040,7 +212929,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -5.113e-14 Surface + diffuse layer charge, eq + -5.135e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -214050,7 +212939,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -214066,7 +212955,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4842e-07 + Nat 1.4843e-07 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -214098,17 +212987,17 @@ Su pH = 7.090 Charge balance pe = -3.115 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.944e-09 + Electrical balance (eq) = 1.677e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -214122,8 +213011,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.008e-11 - CH4 1.008e-11 1.096e-11 -10.997 -10.960 0.036 35.46 +C(-4) 1.003e-11 + CH4 1.003e-11 1.091e-11 -10.999 -10.962 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -214147,8 +213036,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.462e-11 - H2 7.311e-12 7.949e-12 -11.136 -11.100 0.036 28.61 +H(0) 1.461e-11 + H2 7.303e-12 7.940e-12 -11.137 -11.100 0.036 28.61 Hto 4.470e-07 Hto 4.470e-07 4.470e-07 -6.350 -6.350 0.000 (0) I 6.111e-07 @@ -214168,16 +213057,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.526e-07 Nat+ 2.526e-07 2.526e-07 -6.598 -6.598 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.226 -70.189 0.036 30.40 -S(-2) 1.580e-08 - HS- 1.105e-08 7.271e-09 -7.957 -8.138 -0.182 21.14 - H2S 4.751e-09 5.165e-09 -8.323 -8.287 0.036 36.27 - S-2 4.484e-14 1.081e-14 -13.348 -13.966 -0.618 (0) - (H2S)2 1.293e-18 1.406e-18 -17.888 -17.852 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.225 -70.188 0.036 30.40 +S(-2) 1.572e-08 + HS- 1.099e-08 7.238e-09 -7.959 -8.140 -0.182 21.14 + H2S 4.729e-09 5.142e-09 -8.325 -8.289 0.036 36.27 + S-2 4.463e-14 1.076e-14 -13.350 -13.968 -0.618 (0) + (H2S)2 1.281e-18 1.393e-18 -17.892 -17.856 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -214252,7 +213140,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -214264,7 +213152,7 @@ Su Cl 4.6607e-10 H 1.2950e-04 Hto 3.5451e-08 - I 4.4787e-20 + I 4.4793e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -214300,18 +213188,18 @@ Su pH = 7.091 Charge balance pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.295e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.092e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -214324,8 +213212,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.120e-11 - CH4 3.120e-11 3.392e-11 -10.506 -10.469 0.036 35.46 +C(-4) 3.129e-11 + CH4 3.129e-11 3.402e-11 -10.505 -10.468 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -214349,8 +213237,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.940e-11 - H2 9.700e-12 1.055e-11 -11.013 -10.977 0.036 28.61 +H(0) 1.941e-11 + H2 9.706e-12 1.055e-11 -11.013 -10.977 0.036 28.61 Hto 3.004e-07 Hto 3.004e-07 3.004e-07 -6.522 -6.522 0.000 (0) I 3.801e-07 @@ -214370,16 +213258,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.542e-07 Nat+ 1.542e-07 1.542e-07 -6.812 -6.812 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.471 -70.435 0.036 30.40 -S(-2) 4.889e-08 - HS- 3.419e-08 2.251e-08 -7.466 -7.648 -0.182 21.14 - H2S 1.470e-08 1.598e-08 -7.833 -7.796 0.036 36.27 - S-2 1.389e-13 3.349e-14 -12.857 -13.475 -0.618 (0) - (H2S)2 1.237e-17 1.345e-17 -16.908 -16.871 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.472 -70.436 0.036 30.40 +S(-2) 4.902e-08 + HS- 3.429e-08 2.257e-08 -7.465 -7.646 -0.182 21.14 + H2S 1.474e-08 1.602e-08 -7.832 -7.795 0.036 36.27 + S-2 1.393e-13 3.358e-14 -12.856 -13.474 -0.618 (0) + (H2S)2 1.244e-17 1.352e-17 -16.905 -16.869 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -214418,7 +213305,7 @@ Sr 5.000e-04 Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.54 -70.43 -2.89 O2 + O2(g) -67.54 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.85 0.03 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -214444,7 +213331,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.937e-11 Surface + diffuse layer charge, eq + -9.941e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -214454,7 +213341,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -214463,10 +213350,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6591e-10 + Cl 4.6590e-10 H 1.2950e-04 Hto 2.0114e-08 - I 2.3191e-20 + I 2.3194e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -214502,17 +213389,17 @@ Su pH = 7.091 Charge balance pe = -3.192 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.232e-09 + Electrical balance (eq) = -2.584e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -214526,33 +213413,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.081e-11 - CH4 4.081e-11 4.437e-11 -10.389 -10.353 0.036 35.46 +C(-4) 4.113e-11 + CH4 4.113e-11 4.472e-11 -10.386 -10.349 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.748e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.384e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.022e-06 9.809e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.022e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) CaHSO4+ 1.065e-09 7.784e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.075e-11 - H2 1.037e-11 1.128e-11 -10.984 -10.948 0.036 28.61 +H(0) 2.079e-11 + H2 1.039e-11 1.130e-11 -10.983 -10.947 0.036 28.61 Hto 1.705e-07 Hto 1.705e-07 1.705e-07 -6.768 -6.768 0.000 (0) I 1.969e-07 @@ -214572,16 +213459,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 7.080e-08 Nat+ 7.080e-08 7.080e-08 -7.150 -7.150 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.530 -70.493 0.036 30.40 -S(-2) 6.393e-08 - HS- 4.472e-08 2.944e-08 -7.349 -7.531 -0.182 21.14 - H2S 1.921e-08 2.089e-08 -7.716 -7.680 0.036 36.27 - S-2 1.818e-13 4.382e-14 -12.740 -13.358 -0.618 (0) - (H2S)2 2.115e-17 2.299e-17 -16.675 -16.638 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.531 -70.495 0.036 30.40 +S(-2) 6.444e-08 + HS- 4.508e-08 2.967e-08 -7.346 -7.528 -0.182 21.14 + H2S 1.937e-08 2.105e-08 -7.713 -7.677 0.036 36.27 + S-2 1.832e-13 4.417e-14 -12.737 -13.355 -0.618 (0) + (H2S)2 2.149e-17 2.336e-17 -16.668 -16.632 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -214596,7 +213482,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.540e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -214615,12 +213501,12 @@ Sr 5.000e-04 Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.85 -10.95 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.69 -14.62 -7.94 H2S + H2S(g) -6.68 -14.62 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.60 -70.49 -2.89 O2 + O2(g) -67.60 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.76 0.12 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -214646,7 +213532,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -1.001e-10 Surface + diffuse layer charge, eq + -1.002e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -214656,7 +213542,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -214665,14 +213551,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6584e-10 - H 1.2950e-04 - Hto 9.6912e-09 + Cl 4.6583e-10 + H 1.2951e-04 + Hto 9.6910e-09 I 1.0062e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4944e-08 + Nat 1.4943e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -214691,7 +213577,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.213e-08 9.676e-09 + Hto 8.213e-08 9.675e-09 I 8.541e-08 1.006e-08 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -214703,18 +213589,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.197 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.198 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.243e-09 + Electrical balance (eq) = -2.595e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -214728,8 +213614,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.481e-11 - CH4 4.481e-11 4.872e-11 -10.349 -10.312 0.036 35.46 +C(-4) 4.541e-11 + CH4 4.541e-11 4.937e-11 -10.343 -10.307 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -214741,20 +213627,20 @@ C(4) 2.744e-03 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.863 -0.136 (0) - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.124e-11 - H2 1.062e-11 1.155e-11 -10.974 -10.938 0.036 28.61 +H(0) 2.131e-11 + H2 1.066e-11 1.158e-11 -10.972 -10.936 0.036 28.61 Hto 8.213e-08 Hto 8.213e-08 8.213e-08 -7.086 -7.086 0.000 (0) I 8.541e-08 @@ -214769,21 +213655,20 @@ Mg 1.720e-02 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - MgOH+ 2.901e-07 2.129e-07 -6.538 -6.672 -0.134 (0) + MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 2.543e-08 Nat+ 2.543e-08 2.543e-08 -7.595 -7.595 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.550 -70.514 0.036 30.40 -S(-2) 7.020e-08 - HS- 4.911e-08 3.233e-08 -7.309 -7.490 -0.182 21.14 - H2S 2.109e-08 2.293e-08 -7.676 -7.640 0.036 36.27 - S-2 1.996e-13 4.812e-14 -12.700 -13.318 -0.618 (0) - (H2S)2 2.549e-17 2.772e-17 -16.594 -16.557 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.553 -70.517 0.036 30.40 +S(-2) 7.114e-08 + HS- 4.976e-08 3.276e-08 -7.303 -7.485 -0.182 21.14 + H2S 2.137e-08 2.324e-08 -7.670 -7.634 0.036 36.27 + S-2 2.023e-13 4.876e-14 -12.694 -13.312 -0.618 (0) + (H2S)2 2.617e-17 2.846e-17 -16.582 -16.546 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -214793,12 +213678,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.783e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -214810,19 +213695,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.51 -10.31 -2.80 CH4 + CH4(g) -7.50 -10.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.65 -14.58 -7.94 H2S + H2S(g) -6.64 -14.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.62 -70.51 -2.89 O2 + O2(g) -67.62 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.73 0.15 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -214848,7 +213733,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -214858,7 +213743,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -214867,14 +213752,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 + Cl 4.6580e-10 H 1.2951e-04 - Hto 3.9987e-09 - I 3.6967e-21 + Hto 3.9986e-09 + I 3.6971e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3368e-09 + Nat 4.3365e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -214898,25 +213783,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.380e-09 8.694e-10 + Nat 7.379e-09 8.693e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.239e-09 + Electrical balance (eq) = -2.593e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -214928,35 +213813,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.625e-11 - CH4 4.625e-11 5.029e-11 -10.335 -10.299 0.036 35.46 +C(-4) 4.705e-11 + CH4 4.705e-11 5.116e-11 -10.327 -10.291 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.141e-11 - H2 1.070e-11 1.164e-11 -10.970 -10.934 0.036 28.61 +H(0) 2.150e-11 + H2 1.075e-11 1.169e-11 -10.969 -10.932 0.036 28.61 Hto 3.389e-08 Hto 3.389e-08 3.389e-08 -7.470 -7.470 0.000 (0) I 3.138e-08 @@ -214976,16 +213861,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 7.380e-09 - Nat+ 7.380e-09 7.380e-09 -8.132 -8.132 -0.000 (0) +Nat 7.379e-09 + Nat+ 7.379e-09 7.379e-09 -8.132 -8.132 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.557 -70.521 0.036 30.40 -S(-2) 7.245e-08 - HS- 5.068e-08 3.336e-08 -7.295 -7.477 -0.182 21.14 - H2S 2.177e-08 2.367e-08 -7.662 -7.626 0.036 36.27 - S-2 2.060e-13 4.967e-14 -12.686 -13.304 -0.618 (0) - (H2S)2 2.715e-17 2.952e-17 -16.566 -16.530 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.561 -70.524 0.036 30.40 +S(-2) 7.371e-08 + HS- 5.156e-08 3.394e-08 -7.288 -7.469 -0.182 21.14 + H2S 2.215e-08 2.408e-08 -7.655 -7.618 0.036 36.27 + S-2 2.096e-13 5.053e-14 -12.679 -13.296 -0.618 (0) + (H2S)2 2.810e-17 3.055e-17 -16.551 -16.515 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -214994,13 +213878,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -215012,14 +213896,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -215050,7 +213934,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -9.985e-11 Surface + diffuse layer charge, eq + -1.001e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -215060,7 +213944,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -215069,14 +213953,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6581e-10 + Cl 4.6579e-10 H 1.2951e-04 Hto 1.4261e-09 - I 1.1630e-21 + I 1.1628e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0437e-09 + Nat 1.0436e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -215107,18 +213991,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.235e-09 + Electrical balance (eq) = -2.590e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -215130,17 +214014,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.663e-11 - CH4 4.663e-11 5.070e-11 -10.331 -10.295 0.036 35.46 +C(-4) 4.755e-11 + CH4 4.755e-11 5.169e-11 -10.323 -10.287 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -215151,14 +214035,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.145e-11 - H2 1.073e-11 1.166e-11 -10.970 -10.933 0.036 28.61 +H(0) 2.156e-11 + H2 1.078e-11 1.172e-11 -10.967 -10.931 0.036 28.61 Hto 1.209e-08 Hto 1.209e-08 1.209e-08 -7.918 -7.918 0.000 (0) I 9.871e-09 @@ -215178,16 +214062,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.776e-09 Nat+ 1.776e-09 1.776e-09 -8.751 -8.751 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.559 -70.522 0.036 30.40 -S(-2) 7.304e-08 - HS- 5.110e-08 3.364e-08 -7.292 -7.473 -0.182 21.14 - H2S 2.195e-08 2.386e-08 -7.659 -7.622 0.036 36.27 - S-2 2.077e-13 5.007e-14 -12.682 -13.300 -0.618 (0) - (H2S)2 2.760e-17 3.000e-17 -16.559 -16.523 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.563 -70.527 0.036 30.40 +S(-2) 7.448e-08 + HS- 5.210e-08 3.430e-08 -7.283 -7.465 -0.182 21.14 + H2S 2.238e-08 2.433e-08 -7.650 -7.614 0.036 36.27 + S-2 2.118e-13 5.106e-14 -12.674 -13.292 -0.618 (0) + (H2S)2 2.869e-17 3.119e-17 -16.542 -16.506 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -215203,7 +214086,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -215214,21 +214097,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.30 -2.80 CH4 + CH4(g) -7.48 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.56 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.63 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -215252,7 +214135,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -9.972e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -215262,7 +214145,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -215271,14 +214154,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6581e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 4.4361e-10 - I 3.1676e-22 + Hto 4.4358e-10 + I 3.1681e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.1256e-10 + Nat 2.1254e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -215309,18 +214192,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.232e-09 + Electrical balance (eq) = -2.587e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -215332,35 +214215,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.659e-11 - CH4 4.659e-11 5.065e-11 -10.332 -10.295 0.036 35.46 +C(-4) 4.755e-11 + CH4 4.755e-11 5.170e-11 -10.323 -10.287 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.145e-11 - H2 1.072e-11 1.166e-11 -10.970 -10.933 0.036 28.61 +H(0) 2.156e-11 + H2 1.078e-11 1.172e-11 -10.967 -10.931 0.036 28.61 Hto 3.759e-09 Hto 3.759e-09 3.759e-09 -8.425 -8.425 0.000 (0) I 2.689e-09 @@ -215380,16 +214263,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 3.617e-10 Nat+ 3.617e-10 3.617e-10 -9.442 -9.442 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.558 -70.522 0.036 30.40 -S(-2) 7.298e-08 - HS- 5.105e-08 3.361e-08 -7.292 -7.474 -0.182 21.14 - H2S 2.193e-08 2.384e-08 -7.659 -7.623 0.036 36.27 - S-2 2.075e-13 5.003e-14 -12.683 -13.301 -0.618 (0) - (H2S)2 2.755e-17 2.995e-17 -16.560 -16.524 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.563 -70.527 0.036 30.40 +S(-2) 7.449e-08 + HS- 5.211e-08 3.430e-08 -7.283 -7.465 -0.182 21.14 + H2S 2.238e-08 2.433e-08 -7.650 -7.614 0.036 36.27 + S-2 2.119e-13 5.107e-14 -12.674 -13.292 -0.618 (0) + (H2S)2 2.870e-17 3.120e-17 -16.542 -16.506 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -215404,8 +214286,8 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -215416,21 +214298,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.30 -2.80 CH4 + CH4(g) -7.48 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.56 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.63 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -215454,7 +214336,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.960e-11 Surface + diffuse layer charge, eq + -9.988e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -215464,7 +214346,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -215473,14 +214355,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 1.2135e-10 - I 7.5441e-23 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 1.2134e-10 + I 7.5429e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.7233e-11 + Nat 3.7227e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -215499,30 +214381,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.028e-09 1.212e-10 + Hto 1.028e-09 1.211e-10 I 6.403e-10 7.543e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.336e-11 7.464e-12 + Nat 6.335e-11 7.463e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.715e-09 + Electrical balance (eq) = -2.071e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -215534,35 +214416,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.640e-11 - CH4 4.640e-11 5.045e-11 -10.333 -10.297 0.036 35.46 +C(-4) 4.738e-11 + CH4 4.738e-11 5.152e-11 -10.324 -10.288 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.143e-11 - H2 1.071e-11 1.165e-11 -10.970 -10.934 0.036 28.61 +H(0) 2.154e-11 + H2 1.077e-11 1.171e-11 -10.968 -10.931 0.036 28.61 Hto 1.028e-09 Hto 1.028e-09 1.028e-09 -8.988 -8.988 0.000 (0) I 6.403e-10 @@ -215582,16 +214464,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 6.336e-11 - Nat+ 6.336e-11 6.336e-11 -10.198 -10.198 -0.000 (0) +Nat 6.335e-11 + Nat+ 6.335e-11 6.335e-11 -10.198 -10.198 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.558 -70.521 0.036 30.40 -S(-2) 7.269e-08 - HS- 5.085e-08 3.347e-08 -7.294 -7.475 -0.182 21.14 - H2S 2.184e-08 2.375e-08 -7.661 -7.624 0.036 36.27 - S-2 2.067e-13 4.983e-14 -12.685 -13.303 -0.618 (0) - (H2S)2 2.733e-17 2.971e-17 -16.563 -16.527 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.562 -70.526 0.036 30.40 +S(-2) 7.423e-08 + HS- 5.192e-08 3.418e-08 -7.285 -7.466 -0.182 21.14 + H2S 2.230e-08 2.425e-08 -7.652 -7.615 0.036 36.27 + S-2 2.111e-13 5.089e-14 -12.676 -13.293 -0.618 (0) + (H2S)2 2.850e-17 3.098e-17 -16.545 -16.509 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -215600,14 +214481,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -215618,21 +214499,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.63 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.72 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -215656,7 +214537,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.951e-11 Surface + diffuse layer charge, eq + -9.979e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -215666,7 +214547,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -215675,14 +214556,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 2.9408e-11 - I 1.5839e-23 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 2.9406e-11 + I 1.5842e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 5.6810e-12 + Nat 5.6801e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -215706,25 +214587,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 9.667e-12 1.139e-12 + Nat 9.665e-12 1.139e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.664e-09 + Electrical balance (eq) = -2.018e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -215736,35 +214617,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.623e-11 - CH4 4.623e-11 5.027e-11 -10.335 -10.299 0.036 35.46 +C(-4) 4.722e-11 + CH4 4.722e-11 5.134e-11 -10.326 -10.290 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.141e-11 - H2 1.070e-11 1.164e-11 -10.970 -10.934 0.036 28.61 +H(0) 2.152e-11 + H2 1.076e-11 1.170e-11 -10.968 -10.932 0.036 28.61 Hto 2.492e-10 Hto 2.492e-10 2.492e-10 -9.603 -9.603 0.000 (0) I 1.345e-10 @@ -215784,16 +214665,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 9.667e-12 - Nat+ 9.667e-12 9.667e-12 -11.015 -11.015 -0.000 (0) +Nat 9.665e-12 + Nat+ 9.665e-12 9.665e-12 -11.015 -11.015 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.557 -70.520 0.036 30.40 -S(-2) 7.242e-08 - HS- 5.066e-08 3.335e-08 -7.295 -7.477 -0.182 21.14 - H2S 2.176e-08 2.366e-08 -7.662 -7.626 0.036 36.27 - S-2 2.060e-13 4.965e-14 -12.686 -13.304 -0.618 (0) - (H2S)2 2.713e-17 2.950e-17 -16.567 -16.530 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.561 -70.525 0.036 30.40 +S(-2) 7.397e-08 + HS- 5.174e-08 3.406e-08 -7.286 -7.468 -0.182 21.14 + H2S 2.222e-08 2.416e-08 -7.653 -7.617 0.036 36.27 + S-2 2.104e-13 5.071e-14 -12.677 -13.295 -0.618 (0) + (H2S)2 2.830e-17 3.077e-17 -16.548 -16.512 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -215802,14 +214682,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.091e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -215820,21 +214700,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.63 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.72 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -215858,7 +214738,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.946e-11 Surface + diffuse layer charge, eq + -9.974e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -215868,7 +214748,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -215877,14 +214757,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 6.3554e-12 - I 2.9557e-24 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 6.3547e-12 + I 2.9553e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.6298e-13 + Nat 7.6282e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -215903,30 +214783,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.386e-11 6.345e-12 + Hto 5.385e-11 6.344e-12 I 2.509e-11 2.955e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.298e-12 1.530e-13 + Nat 1.298e-12 1.529e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.119e-09 + Electrical balance (eq) = -2.474e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -215938,37 +214818,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.616e-11 - CH4 4.616e-11 5.019e-11 -10.336 -10.299 0.036 35.46 +C(-4) 4.715e-11 + CH4 4.715e-11 5.126e-11 -10.327 -10.290 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.140e-11 - H2 1.070e-11 1.163e-11 -10.971 -10.934 0.036 28.61 -Hto 5.386e-11 - Hto 5.386e-11 5.386e-11 -10.269 -10.269 0.000 (0) +H(0) 2.151e-11 + H2 1.076e-11 1.169e-11 -10.968 -10.932 0.036 28.61 +Hto 5.385e-11 + Hto 5.385e-11 5.385e-11 -10.269 -10.269 0.000 (0) I 2.509e-11 I- 2.509e-11 2.509e-11 -10.601 -10.601 -0.000 (0) K 1.540e-03 @@ -215986,16 +214866,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.298e-12 Nat+ 1.298e-12 1.298e-12 -11.887 -11.887 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.556 -70.520 0.036 30.40 -S(-2) 7.231e-08 - HS- 5.058e-08 3.330e-08 -7.296 -7.478 -0.182 21.14 - H2S 2.173e-08 2.362e-08 -7.663 -7.627 0.036 36.27 - S-2 2.056e-13 4.957e-14 -12.687 -13.305 -0.618 (0) - (H2S)2 2.705e-17 2.940e-17 -16.568 -16.532 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.561 -70.525 0.036 30.40 +S(-2) 7.386e-08 + HS- 5.166e-08 3.401e-08 -7.287 -7.468 -0.182 21.14 + H2S 2.219e-08 2.413e-08 -7.654 -7.618 0.036 36.27 + S-2 2.100e-13 5.063e-14 -12.678 -13.296 -0.618 (0) + (H2S)2 2.821e-17 3.067e-17 -16.550 -16.513 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -216004,13 +214883,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -216022,14 +214901,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -216060,7 +214939,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.946e-11 Surface + diffuse layer charge, eq + -9.974e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -216070,7 +214949,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -216079,14 +214958,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 1.2317e-12 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 1.2316e-12 I 4.9296e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.0961e-14 + Nat 9.0941e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -216110,25 +214989,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.548e-13 1.823e-14 + Nat 1.547e-13 1.823e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.133e-09 + Electrical balance (eq) = -2.488e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -216140,35 +215019,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.621e-11 - CH4 4.621e-11 5.025e-11 -10.335 -10.299 0.036 35.46 +C(-4) 4.720e-11 + CH4 4.720e-11 5.132e-11 -10.326 -10.290 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.140e-11 - H2 1.070e-11 1.164e-11 -10.971 -10.934 0.036 28.61 +H(0) 2.152e-11 + H2 1.076e-11 1.170e-11 -10.968 -10.932 0.036 28.61 Hto 1.044e-11 Hto 1.044e-11 1.044e-11 -10.981 -10.981 0.000 (0) I 4.185e-12 @@ -216188,16 +215067,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.548e-13 - Nat+ 1.548e-13 1.548e-13 -12.810 -12.810 -0.000 (0) +Nat 1.547e-13 + Nat+ 1.547e-13 1.547e-13 -12.810 -12.810 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.557 -70.520 0.036 30.40 -S(-2) 7.239e-08 - HS- 5.064e-08 3.334e-08 -7.295 -7.477 -0.182 21.14 - H2S 2.175e-08 2.365e-08 -7.662 -7.626 0.036 36.27 - S-2 2.059e-13 4.963e-14 -12.686 -13.304 -0.618 (0) - (H2S)2 2.711e-17 2.947e-17 -16.567 -16.531 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.561 -70.525 0.036 30.40 +S(-2) 7.394e-08 + HS- 5.172e-08 3.405e-08 -7.286 -7.468 -0.182 21.14 + H2S 2.222e-08 2.415e-08 -7.653 -7.617 0.036 36.27 + S-2 2.103e-13 5.069e-14 -12.677 -13.295 -0.618 (0) + (H2S)2 2.828e-17 3.074e-17 -16.549 -16.512 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -216206,14 +215084,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.091e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -216224,14 +215102,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -216262,7 +215140,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.954e-11 Surface + diffuse layer charge, eq + -9.982e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -216272,7 +215150,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -216281,14 +215159,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 - H 1.2950e-04 - Hto 2.1514e-13 + Cl 4.6580e-10 + H 1.2951e-04 + Hto 2.1511e-13 I 7.3926e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.6940e-15 + Nat 9.6915e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -216312,25 +215190,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.650e-14 1.943e-15 + Nat 1.649e-14 1.943e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.430e-10 + Electrical balance (eq) = -9.974e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -216342,35 +215220,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.639e-11 - CH4 4.639e-11 5.044e-11 -10.334 -10.297 0.036 35.46 +C(-4) 4.738e-11 + CH4 4.738e-11 5.151e-11 -10.324 -10.288 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 + CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.142e-11 - H2 1.071e-11 1.165e-11 -10.970 -10.934 0.036 28.61 +H(0) 2.154e-11 + H2 1.077e-11 1.171e-11 -10.968 -10.932 0.036 28.61 Hto 1.823e-12 Hto 1.823e-12 1.823e-12 -11.739 -11.739 0.000 (0) I 6.275e-13 @@ -216390,16 +215268,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.650e-14 - Nat+ 1.650e-14 1.650e-14 -13.783 -13.783 -0.000 (0) +Nat 1.649e-14 + Nat+ 1.649e-14 1.649e-14 -13.783 -13.783 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.558 -70.521 0.036 30.40 -S(-2) 7.267e-08 - HS- 5.083e-08 3.347e-08 -7.294 -7.475 -0.182 21.14 - H2S 2.184e-08 2.374e-08 -7.661 -7.625 0.036 36.27 - S-2 2.067e-13 4.982e-14 -12.685 -13.303 -0.618 (0) - (H2S)2 2.732e-17 2.970e-17 -16.564 -16.527 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.562 -70.526 0.036 30.40 +S(-2) 7.422e-08 + HS- 5.192e-08 3.418e-08 -7.285 -7.466 -0.182 21.14 + H2S 2.230e-08 2.424e-08 -7.652 -7.615 0.036 36.27 + S-2 2.111e-13 5.088e-14 -12.676 -13.293 -0.618 (0) + (H2S)2 2.849e-17 3.097e-17 -16.545 -16.509 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -216408,14 +215285,14 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -216426,21 +215303,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.50 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.57 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.63 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.72 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -216464,7 +215341,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.961e-11 Surface + diffuse layer charge, eq + -9.989e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -216474,7 +215351,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -216483,14 +215360,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6581e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 3.4013e-14 + Hto 3.4007e-14 I 1.0014e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.2893e-16 + Nat 9.2867e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -216509,30 +215386,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.882e-13 3.396e-14 + Hto 2.882e-13 3.395e-14 I 8.500e-14 1.001e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.581e-15 1.862e-16 + Nat 1.580e-15 1.862e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.230e-09 + Electrical balance (eq) = -2.584e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -216544,17 +215421,17 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.663e-11 - CH4 4.663e-11 5.070e-11 -10.331 -10.295 0.036 35.46 +C(-4) 4.762e-11 + CH4 4.762e-11 5.177e-11 -10.322 -10.286 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -216565,14 +215442,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.145e-11 - H2 1.073e-11 1.166e-11 -10.970 -10.933 0.036 28.61 +H(0) 2.157e-11 + H2 1.078e-11 1.172e-11 -10.967 -10.931 0.036 28.61 Hto 2.882e-13 Hto 2.882e-13 2.882e-13 -12.540 -12.540 0.000 (0) I 8.500e-14 @@ -216592,16 +215469,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.581e-15 - Nat+ 1.581e-15 1.581e-15 -14.801 -14.801 -0.000 (0) +Nat 1.580e-15 + Nat+ 1.580e-15 1.580e-15 -14.801 -14.801 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.559 -70.522 0.036 30.40 -S(-2) 7.304e-08 - HS- 5.110e-08 3.364e-08 -7.292 -7.473 -0.182 21.14 - H2S 2.195e-08 2.386e-08 -7.659 -7.622 0.036 36.27 - S-2 2.077e-13 5.007e-14 -12.682 -13.300 -0.618 (0) - (H2S)2 2.760e-17 3.000e-17 -16.559 -16.523 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.563 -70.527 0.036 30.40 +S(-2) 7.459e-08 + HS- 5.218e-08 3.435e-08 -7.283 -7.464 -0.182 21.14 + H2S 2.241e-08 2.437e-08 -7.650 -7.613 0.036 36.27 + S-2 2.121e-13 5.114e-14 -12.673 -13.291 -0.618 (0) + (H2S)2 2.878e-17 3.129e-17 -16.541 -16.505 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -216617,7 +215493,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -216628,21 +215504,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.30 -2.80 CH4 + CH4(g) -7.48 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.63 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -216666,7 +215542,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.968e-11 Surface + diffuse layer charge, eq + -9.996e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -216676,7 +215552,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -216685,14 +215561,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6581e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 4.8848e-15 - I 1.2304e-27 + Hto 4.8840e-15 + I 1.2300e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.0429e-17 + Nat 8.0404e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -216711,30 +215587,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.140e-14 4.877e-15 + Hto 4.139e-14 4.876e-15 I 1.044e-14 1.230e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.369e-16 1.612e-17 + Nat 1.368e-16 1.612e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.232e-09 + Electrical balance (eq) = -2.587e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -216748,15 +215624,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.683e-11 - CH4 4.683e-11 5.092e-11 -10.329 -10.293 0.036 35.46 +C(-4) 4.782e-11 + CH4 4.782e-11 5.199e-11 -10.320 -10.284 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -216767,16 +215643,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.148e-11 - H2 1.074e-11 1.167e-11 -10.969 -10.933 0.036 28.61 -Hto 4.140e-14 - Hto 4.140e-14 4.140e-14 -13.383 -13.383 0.000 (0) +H(0) 2.159e-11 + H2 1.079e-11 1.174e-11 -10.967 -10.930 0.036 28.61 +Hto 4.139e-14 + Hto 4.139e-14 4.139e-14 -13.383 -13.383 0.000 (0) I 1.044e-14 I- 1.044e-14 1.044e-14 -13.981 -13.981 -0.000 (0) K 1.540e-03 @@ -216794,16 +215670,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.369e-16 - Nat+ 1.369e-16 1.369e-16 -15.864 -15.864 -0.000 (0) +Nat 1.368e-16 + Nat+ 1.368e-16 1.368e-16 -15.864 -15.864 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.560 -70.523 0.036 30.40 -S(-2) 7.336e-08 - HS- 5.132e-08 3.378e-08 -7.290 -7.471 -0.182 21.14 - H2S 2.204e-08 2.397e-08 -7.657 -7.620 0.036 36.27 - S-2 2.086e-13 5.029e-14 -12.681 -13.298 -0.618 (0) - (H2S)2 2.784e-17 3.027e-17 -16.555 -16.519 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.564 -70.528 0.036 30.40 +S(-2) 7.491e-08 + HS- 5.240e-08 3.450e-08 -7.281 -7.462 -0.182 21.14 + H2S 2.251e-08 2.447e-08 -7.648 -7.611 0.036 36.27 + S-2 2.130e-13 5.135e-14 -12.672 -13.289 -0.618 (0) + (H2S)2 2.902e-17 3.155e-17 -16.537 -16.501 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -216819,7 +215694,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -216830,21 +215705,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -216868,7 +215743,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -9.972e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -216878,7 +215753,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -216887,14 +215762,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 6.3934e-16 - I 1.3751e-28 + Hto 6.3922e-16 + I 1.3753e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.3179e-18 + Nat 6.3158e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -216913,30 +215788,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.418e-15 6.383e-16 + Hto 5.417e-15 6.382e-16 I 1.167e-15 1.375e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.075e-17 1.267e-18 + Nat 1.075e-17 1.266e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.233e-09 + Electrical balance (eq) = -2.588e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -216950,15 +215825,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.695e-11 - CH4 4.695e-11 5.105e-11 -10.328 -10.292 0.036 35.46 +C(-4) 4.794e-11 + CH4 4.794e-11 5.212e-11 -10.319 -10.283 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -216969,16 +215844,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.149e-11 - H2 1.074e-11 1.168e-11 -10.969 -10.932 0.036 28.61 -Hto 5.418e-15 - Hto 5.418e-15 5.418e-15 -14.266 -14.266 0.000 (0) +H(0) 2.160e-11 + H2 1.080e-11 1.174e-11 -10.967 -10.930 0.036 28.61 +Hto 5.417e-15 + Hto 5.417e-15 5.417e-15 -14.266 -14.266 0.000 (0) I 1.167e-15 I- 1.167e-15 1.167e-15 -14.933 -14.933 -0.000 (0) K 1.540e-03 @@ -216996,16 +215871,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.075e-17 Nat+ 1.075e-17 1.075e-17 -16.969 -16.969 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 -S(-2) 7.355e-08 - HS- 5.145e-08 3.387e-08 -7.289 -7.470 -0.182 21.14 - H2S 2.210e-08 2.403e-08 -7.656 -7.619 0.036 36.27 - S-2 2.092e-13 5.042e-14 -12.680 -13.297 -0.618 (0) - (H2S)2 2.798e-17 3.042e-17 -16.553 -16.517 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.565 -70.528 0.036 30.40 +S(-2) 7.509e-08 + HS- 5.253e-08 3.458e-08 -7.280 -7.461 -0.182 21.14 + H2S 2.256e-08 2.453e-08 -7.647 -7.610 0.036 36.27 + S-2 2.136e-13 5.148e-14 -12.670 -13.288 -0.618 (0) + (H2S)2 2.917e-17 3.171e-17 -16.535 -16.499 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -217021,7 +215895,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -217032,21 +215906,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -217070,7 +215944,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -9.973e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -217080,7 +215954,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -217089,14 +215963,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 7.6465e-17 - I 1.4030e-29 + Hto 7.6449e-17 + I 1.4033e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5181e-19 + Nat 4.5165e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -217115,30 +215989,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.480e-16 7.634e-17 + Hto 6.479e-16 7.633e-17 I 1.191e-16 1.403e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.688e-19 9.057e-20 + Nat 7.685e-19 9.054e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.233e-09 + Electrical balance (eq) = -2.588e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -217152,15 +216026,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.700e-11 - CH4 4.700e-11 5.110e-11 -10.328 -10.292 0.036 35.46 +C(-4) 4.799e-11 + CH4 4.799e-11 5.218e-11 -10.319 -10.283 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -217171,16 +216045,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.150e-11 - H2 1.075e-11 1.169e-11 -10.969 -10.932 0.036 28.61 -Hto 6.480e-16 - Hto 6.480e-16 6.480e-16 -15.188 -15.188 0.000 (0) +H(0) 2.161e-11 + H2 1.080e-11 1.175e-11 -10.966 -10.930 0.036 28.61 +Hto 6.479e-16 + Hto 6.479e-16 6.479e-16 -15.189 -15.189 0.000 (0) I 1.191e-16 I- 1.191e-16 1.191e-16 -15.924 -15.924 -0.000 (0) K 1.540e-03 @@ -217198,16 +216072,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 7.688e-19 - Nat+ 7.688e-19 7.688e-19 -18.114 -18.114 -0.000 (0) +Nat 7.685e-19 + Nat+ 7.685e-19 7.685e-19 -18.114 -18.114 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 -S(-2) 7.363e-08 - HS- 5.151e-08 3.391e-08 -7.288 -7.470 -0.182 21.14 - H2S 2.212e-08 2.405e-08 -7.655 -7.619 0.036 36.27 - S-2 2.094e-13 5.048e-14 -12.679 -13.297 -0.618 (0) - (H2S)2 2.804e-17 3.049e-17 -16.552 -16.516 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 +S(-2) 7.517e-08 + HS- 5.259e-08 3.462e-08 -7.279 -7.461 -0.182 21.14 + H2S 2.259e-08 2.456e-08 -7.646 -7.610 0.036 36.27 + S-2 2.138e-13 5.154e-14 -12.670 -13.288 -0.618 (0) + (H2S)2 2.923e-17 3.178e-17 -16.534 -16.498 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -217223,7 +216096,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -217234,21 +216107,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -217272,7 +216145,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -9.973e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -217282,7 +216155,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -217291,14 +216164,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 8.3762e-18 + Hto 8.3743e-18 I 1.3098e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.9500e-20 + Nat 2.9488e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -217317,30 +216190,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.098e-17 8.363e-18 + Hto 7.097e-17 8.361e-18 I 1.112e-17 1.310e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 5.020e-20 5.914e-21 + Nat 5.018e-20 5.911e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.233e-09 + Electrical balance (eq) = -2.588e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -217354,15 +216227,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.702e-11 - CH4 4.702e-11 5.112e-11 -10.328 -10.291 0.036 35.46 +C(-4) 4.801e-11 + CH4 4.801e-11 5.220e-11 -10.319 -10.282 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -217373,16 +216246,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.150e-11 - H2 1.075e-11 1.169e-11 -10.969 -10.932 0.036 28.61 -Hto 7.098e-17 - Hto 7.098e-17 7.098e-17 -16.149 -16.149 0.000 (0) +H(0) 2.161e-11 + H2 1.080e-11 1.175e-11 -10.966 -10.930 0.036 28.61 +Hto 7.097e-17 + Hto 7.097e-17 7.097e-17 -16.149 -16.149 0.000 (0) I 1.112e-17 I- 1.112e-17 1.112e-17 -16.954 -16.954 -0.000 (0) K 1.540e-03 @@ -217400,16 +216273,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 5.020e-20 - Nat+ 5.020e-20 5.020e-20 -19.299 -19.299 -0.000 (0) +Nat 5.018e-20 + Nat+ 5.018e-20 5.018e-20 -19.299 -19.299 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 -S(-2) 7.366e-08 - HS- 5.152e-08 3.392e-08 -7.288 -7.470 -0.182 21.14 - H2S 2.213e-08 2.406e-08 -7.655 -7.619 0.036 36.27 - S-2 2.095e-13 5.049e-14 -12.679 -13.297 -0.618 (0) - (H2S)2 2.806e-17 3.051e-17 -16.552 -16.516 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 +S(-2) 7.520e-08 + HS- 5.261e-08 3.463e-08 -7.279 -7.461 -0.182 21.14 + H2S 2.259e-08 2.457e-08 -7.646 -7.610 0.036 36.27 + S-2 2.139e-13 5.156e-14 -12.670 -13.288 -0.618 (0) + (H2S)2 2.925e-17 3.180e-17 -16.534 -16.498 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -217425,7 +216297,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -217436,21 +216308,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -217474,7 +216346,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -9.973e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -217484,7 +216356,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -217493,14 +216365,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 8.4202e-19 + Hto 8.4182e-19 I 1.1209e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.7626e-21 + Nat 1.7619e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -217519,30 +216391,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.136e-18 8.407e-19 + Hto 7.134e-18 8.405e-19 I 9.514e-19 1.121e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.999e-21 3.533e-22 + Nat 2.998e-21 3.532e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.233e-09 + Electrical balance (eq) = -2.588e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -217556,15 +216428,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.702e-11 - CH4 4.702e-11 5.113e-11 -10.328 -10.291 0.036 35.46 +C(-4) 4.801e-11 + CH4 4.801e-11 5.220e-11 -10.319 -10.282 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -217575,16 +216447,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.150e-11 - H2 1.075e-11 1.169e-11 -10.969 -10.932 0.036 28.61 -Hto 7.136e-18 - Hto 7.136e-18 7.136e-18 -17.147 -17.147 0.000 (0) +H(0) 2.161e-11 + H2 1.080e-11 1.175e-11 -10.966 -10.930 0.036 28.61 +Hto 7.134e-18 + Hto 7.134e-18 7.134e-18 -17.147 -17.147 0.000 (0) I 9.514e-19 I- 9.514e-19 9.514e-19 -18.022 -18.022 -0.000 (0) K 1.540e-03 @@ -217602,16 +216474,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 2.999e-21 - Nat+ 2.999e-21 2.999e-21 -20.523 -20.523 -0.000 (0) +Nat 2.998e-21 + Nat+ 2.998e-21 2.998e-21 -20.523 -20.523 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 -S(-2) 7.366e-08 - HS- 5.153e-08 3.392e-08 -7.288 -7.470 -0.182 21.14 - H2S 2.213e-08 2.406e-08 -7.655 -7.619 0.036 36.27 - S-2 2.095e-13 5.050e-14 -12.679 -13.297 -0.618 (0) - (H2S)2 2.807e-17 3.051e-17 -16.552 -16.515 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 +S(-2) 7.521e-08 + HS- 5.261e-08 3.463e-08 -7.279 -7.460 -0.182 21.14 + H2S 2.260e-08 2.457e-08 -7.646 -7.610 0.036 36.27 + S-2 2.139e-13 5.156e-14 -12.670 -13.288 -0.618 (0) + (H2S)2 2.925e-17 3.181e-17 -16.534 -16.497 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -217627,7 +216498,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -217638,21 +216509,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -217676,7 +216547,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -9.973e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -217686,7 +216557,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -217695,14 +216566,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 7.7839e-20 - I 8.8141e-33 + Hto 7.7819e-20 + I 8.8126e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.6411e-23 + Nat 9.6368e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -217721,30 +216592,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.597e-19 7.771e-20 + Hto 6.595e-19 7.769e-20 I 7.481e-20 8.813e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.641e-22 1.933e-23 + Nat 1.640e-22 1.932e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.233e-09 + Electrical balance (eq) = -2.588e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -217758,15 +216629,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.703e-11 - CH4 4.703e-11 5.113e-11 -10.328 -10.291 0.036 35.46 +C(-4) 4.801e-11 + CH4 4.801e-11 5.220e-11 -10.319 -10.282 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -217777,16 +216648,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.150e-11 - H2 1.075e-11 1.169e-11 -10.969 -10.932 0.036 28.61 -Hto 6.597e-19 - Hto 6.597e-19 6.597e-19 -18.181 -18.181 0.000 (0) +H(0) 2.161e-11 + H2 1.080e-11 1.175e-11 -10.966 -10.930 0.036 28.61 +Hto 6.595e-19 + Hto 6.595e-19 6.595e-19 -18.181 -18.181 0.000 (0) I 7.481e-20 I- 7.481e-20 7.481e-20 -19.126 -19.126 -0.000 (0) K 1.540e-03 @@ -217804,16 +216675,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.641e-22 - Nat+ 1.641e-22 1.641e-22 -21.785 -21.785 -0.000 (0) +Nat 1.640e-22 + Nat+ 1.640e-22 1.640e-22 -21.785 -21.785 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 -S(-2) 7.366e-08 - HS- 5.153e-08 3.392e-08 -7.288 -7.470 -0.182 21.14 - H2S 2.213e-08 2.406e-08 -7.655 -7.619 0.036 36.27 - S-2 2.095e-13 5.050e-14 -12.679 -13.297 -0.618 (0) - (H2S)2 2.807e-17 3.052e-17 -16.552 -16.515 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 +S(-2) 7.521e-08 + HS- 5.261e-08 3.464e-08 -7.279 -7.460 -0.182 21.14 + H2S 2.260e-08 2.457e-08 -7.646 -7.610 0.036 36.27 + S-2 2.139e-13 5.156e-14 -12.670 -13.288 -0.618 (0) + (H2S)2 2.926e-17 3.181e-17 -16.534 -16.497 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -217829,7 +216699,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -217840,21 +216710,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -217878,7 +216748,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -9.973e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -217888,7 +216758,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -217897,14 +216767,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 7.1345e-21 - I 6.7925e-34 + Hto 7.1325e-21 + I 6.7934e-34 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8912e-24 + Nat 4.8889e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -217923,30 +216793,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.046e-20 7.123e-21 + Hto 6.045e-20 7.121e-21 I 5.766e-21 6.793e-22 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 8.323e-24 9.805e-25 + Nat 8.319e-24 9.801e-25 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.233e-09 + Electrical balance (eq) = -2.588e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -217960,15 +216830,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.703e-11 - CH4 4.703e-11 5.113e-11 -10.328 -10.291 0.036 35.46 +C(-4) 4.801e-11 + CH4 4.801e-11 5.220e-11 -10.319 -10.282 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -217979,16 +216849,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.150e-11 - H2 1.075e-11 1.169e-11 -10.969 -10.932 0.036 28.61 -Hto 6.046e-20 - Hto 6.046e-20 6.046e-20 -19.219 -19.219 0.000 (0) +H(0) 2.161e-11 + H2 1.080e-11 1.175e-11 -10.966 -10.930 0.036 28.61 +Hto 6.045e-20 + Hto 6.045e-20 6.045e-20 -19.219 -19.219 0.000 (0) I 5.766e-21 I- 5.766e-21 5.766e-21 -20.239 -20.239 -0.000 (0) K 1.540e-03 @@ -218006,16 +216876,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 8.323e-24 - Nat+ 8.323e-24 8.323e-24 -23.080 -23.080 -0.000 (0) +Nat 8.319e-24 + Nat+ 8.319e-24 8.319e-24 -23.080 -23.080 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.560 -70.524 0.036 30.40 -S(-2) 7.367e-08 - HS- 5.153e-08 3.392e-08 -7.288 -7.470 -0.182 21.14 - H2S 2.213e-08 2.406e-08 -7.655 -7.619 0.036 36.27 - S-2 2.095e-13 5.050e-14 -12.679 -13.297 -0.618 (0) - (H2S)2 2.807e-17 3.052e-17 -16.552 -16.515 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 +S(-2) 7.521e-08 + HS- 5.261e-08 3.464e-08 -7.279 -7.460 -0.182 21.14 + H2S 2.260e-08 2.457e-08 -7.646 -7.610 0.036 36.27 + S-2 2.139e-13 5.156e-14 -12.670 -13.288 -0.618 (0) + (H2S)2 2.926e-17 3.181e-17 -16.534 -16.497 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -218031,7 +216900,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -218042,21 +216911,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -218086,18 +216955,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -218111,8 +216980,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -218136,8 +217005,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -218157,16 +217026,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -218193,21 +217061,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -218235,18 +217103,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -218260,8 +217128,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -218285,8 +217153,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -218306,16 +217174,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -218342,21 +217209,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -218393,18 +217260,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.070 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.069 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.030e-12 + Electrical balance (eq) = -9.906e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -218418,8 +217285,8 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.361e-12 - CH4 4.361e-12 4.742e-12 -11.360 -11.324 0.036 35.46 +C(-4) 4.284e-12 + CH4 4.284e-12 4.658e-12 -11.368 -11.332 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 @@ -218443,8 +217310,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.186e-11 - H2 5.930e-12 6.447e-12 -11.227 -11.191 0.036 28.61 +H(0) 1.181e-11 + H2 5.903e-12 6.418e-12 -11.229 -11.193 0.036 28.61 Hto 5.014e-07 Hto 5.014e-07 5.014e-07 -6.300 -6.300 0.000 (0) I 6.871e-07 @@ -218464,16 +217331,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.746e-07 Nat+ 2.746e-07 2.746e-07 -6.561 -6.561 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.044 -70.007 0.036 30.40 -S(-2) 6.837e-09 - HS- 4.780e-09 3.147e-09 -8.321 -8.502 -0.182 21.14 - H2S 2.057e-09 2.236e-09 -8.687 -8.651 0.036 36.27 - S-2 1.940e-14 4.677e-15 -13.712 -14.330 -0.618 (0) - (H2S)2 2.423e-19 2.635e-19 -18.616 -18.579 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.040 -70.004 0.036 30.40 +S(-2) 6.716e-09 + HS- 4.696e-09 3.091e-09 -8.328 -8.510 -0.182 21.14 + H2S 2.020e-09 2.197e-09 -8.695 -8.658 0.036 36.27 + S-2 1.906e-14 4.594e-15 -13.720 -14.338 -0.618 (0) + (H2S)2 2.338e-19 2.542e-19 -18.631 -18.595 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -218500,21 +217366,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.52 -11.32 -2.80 CH4 + CH4(g) -8.53 -11.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -8.09 -11.19 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.66 -15.59 -7.94 H2S + H2S(g) -7.66 -15.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.12 -70.01 -2.89 O2 + O2(g) -67.11 -70.00 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -5.49 -0.61 4.88 S + Sulfur -5.50 -0.62 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -218538,7 +217404,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -5.163e-14 Surface + diffuse layer charge, eq + -5.179e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -218548,7 +217414,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -218596,17 +217462,17 @@ Su pH = 7.090 Charge balance pe = -3.117 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.944e-09 + Electrical balance (eq) = 1.676e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -218620,8 +217486,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.036e-11 - CH4 1.036e-11 1.127e-11 -10.984 -10.948 0.036 35.46 +C(-4) 1.032e-11 + CH4 1.032e-11 1.122e-11 -10.986 -10.950 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -218645,8 +217511,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.473e-11 - H2 7.363e-12 8.005e-12 -11.133 -11.097 0.036 28.61 +H(0) 1.471e-11 + H2 7.355e-12 7.996e-12 -11.133 -11.097 0.036 28.61 Hto 4.453e-07 Hto 4.453e-07 4.453e-07 -6.351 -6.351 0.000 (0) I 6.101e-07 @@ -218666,16 +217532,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.509e-07 Nat+ 2.509e-07 2.509e-07 -6.600 -6.600 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.232 -70.195 0.036 30.40 -S(-2) 1.625e-08 - HS- 1.136e-08 7.478e-09 -7.945 -8.126 -0.182 21.14 - H2S 4.886e-09 5.312e-09 -8.311 -8.275 0.036 36.27 - S-2 4.612e-14 1.112e-14 -13.336 -13.954 -0.618 (0) - (H2S)2 1.368e-18 1.487e-18 -17.864 -17.828 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.231 -70.195 0.036 30.40 +S(-2) 1.618e-08 + HS- 1.131e-08 7.446e-09 -7.946 -8.128 -0.182 21.14 + H2S 4.865e-09 5.290e-09 -8.313 -8.277 0.036 36.27 + S-2 4.592e-14 1.107e-14 -13.338 -13.956 -0.618 (0) + (H2S)2 1.356e-18 1.474e-18 -17.868 -17.831 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -218714,7 +217579,7 @@ Sr 5.000e-04 Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.30 -70.20 -2.89 O2 + O2(g) -67.30 -70.19 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.21 -0.33 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -218740,7 +217605,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.606e-11 Surface + diffuse layer charge, eq + -9.608e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -218750,7 +217615,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -218762,7 +217627,7 @@ Su Cl 4.6606e-10 H 1.2950e-04 Hto 3.5556e-08 - I 4.5038e-20 + I 4.5045e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -218798,18 +217663,18 @@ Su pH = 7.091 Charge balance pe = -3.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.391e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.996e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -218822,8 +217687,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.176e-11 - CH4 3.176e-11 3.453e-11 -10.498 -10.462 0.036 35.46 +C(-4) 3.185e-11 + CH4 3.185e-11 3.462e-11 -10.497 -10.461 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -218847,8 +217712,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.949e-11 - H2 9.743e-12 1.059e-11 -11.011 -10.975 0.036 28.61 +H(0) 1.950e-11 + H2 9.750e-12 1.060e-11 -11.011 -10.975 0.036 28.61 Hto 3.013e-07 Hto 3.013e-07 3.013e-07 -6.521 -6.521 0.000 (0) I 3.823e-07 @@ -218868,16 +217733,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.546e-07 Nat+ 1.546e-07 1.546e-07 -6.811 -6.811 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.475 -70.439 0.036 30.40 -S(-2) 4.976e-08 - HS- 3.480e-08 2.291e-08 -7.458 -7.640 -0.182 21.14 - H2S 1.496e-08 1.626e-08 -7.825 -7.789 0.036 36.27 - S-2 1.414e-13 3.409e-14 -12.850 -13.467 -0.618 (0) - (H2S)2 1.282e-17 1.393e-17 -16.892 -16.856 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.476 -70.439 0.036 30.40 +S(-2) 4.990e-08 + HS- 3.490e-08 2.297e-08 -7.457 -7.639 -0.182 21.14 + H2S 1.500e-08 1.631e-08 -7.824 -7.788 0.036 36.27 + S-2 1.418e-13 3.418e-14 -12.848 -13.466 -0.618 (0) + (H2S)2 1.289e-17 1.401e-17 -16.890 -16.853 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -218918,7 +217782,7 @@ Sr 5.000e-04 Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.55 -70.44 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.85 0.04 4.88 S + Sulfur -4.84 0.04 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -218942,7 +217806,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.961e-11 Surface + diffuse layer charge, eq + -9.965e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -218952,7 +217816,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -218968,7 +217832,7 @@ Su K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2332e-08 + Nat 4.2331e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -219000,17 +217864,17 @@ Su pH = 7.091 Charge balance pe = -3.193 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.332e-09 + Electrical balance (eq) = -2.683e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -219024,8 +217888,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.158e-11 - CH4 4.158e-11 4.521e-11 -10.381 -10.345 0.036 35.46 +C(-4) 4.191e-11 + CH4 4.191e-11 4.556e-11 -10.378 -10.341 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -219035,7 +217899,7 @@ C(4) 2.744e-03 CaCO3 9.023e-06 9.810e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.615e-07 -5.471 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.386e-09 -8.895 -8.858 0.036 68.87 @@ -219049,8 +217913,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.085e-11 - H2 1.042e-11 1.133e-11 -10.982 -10.946 0.036 28.61 +H(0) 2.089e-11 + H2 1.044e-11 1.135e-11 -10.981 -10.945 0.036 28.61 Hto 1.727e-07 Hto 1.727e-07 1.727e-07 -6.763 -6.763 0.000 (0) I 2.001e-07 @@ -219070,16 +217934,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 7.203e-08 Nat+ 7.203e-08 7.203e-08 -7.142 -7.142 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.534 -70.497 0.036 30.40 -S(-2) 6.514e-08 - HS- 4.557e-08 3.000e-08 -7.341 -7.523 -0.182 21.14 - H2S 1.958e-08 2.128e-08 -7.708 -7.672 0.036 36.27 - S-2 1.852e-13 4.465e-14 -12.732 -13.350 -0.618 (0) - (H2S)2 2.196e-17 2.387e-17 -16.658 -16.622 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.535 -70.499 0.036 30.40 +S(-2) 6.565e-08 + HS- 4.592e-08 3.023e-08 -7.338 -7.520 -0.182 21.14 + H2S 1.973e-08 2.145e-08 -7.705 -7.669 0.036 36.27 + S-2 1.867e-13 4.500e-14 -12.729 -13.347 -0.618 (0) + (H2S)2 2.230e-17 2.425e-17 -16.652 -16.615 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -219111,16 +217974,16 @@ Sr 5.000e-04 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.84 -10.95 -3.10 H2 + H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.68 -14.61 -7.94 H2S + H2S(g) -6.67 -14.61 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.61 -70.50 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.76 0.12 4.88 S + Sulfur -4.76 0.13 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -219144,7 +218007,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.005e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -219154,7 +218017,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -219163,14 +218026,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6582e-10 + Cl 4.6581e-10 H 1.2951e-04 - Hto 9.9434e-09 + Hto 9.9432e-09 I 1.0373e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5465e-08 + Nat 1.5464e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -219189,30 +218052,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.427e-08 9.927e-09 + Hto 8.426e-08 9.927e-09 I 8.804e-08 1.037e-08 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.632e-08 3.100e-09 + Nat 2.631e-08 3.100e-09 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.198 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.343e-09 + Electrical balance (eq) = -2.695e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -219226,35 +218089,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.114e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.572e-11 - CH4 4.572e-11 4.971e-11 -10.340 -10.304 0.036 35.46 +C(-4) 4.632e-11 + CH4 4.632e-11 5.036e-11 -10.334 -10.298 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.616e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 - (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.811e-06 -5.045 -5.008 0.036 -14.60 - CaOH+ 1.878e-08 1.372e-08 -7.726 -7.862 -0.136 (0) + CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.135e-11 - H2 1.067e-11 1.160e-11 -10.972 -10.935 0.036 28.61 -Hto 8.427e-08 - Hto 8.427e-08 8.427e-08 -7.074 -7.074 0.000 (0) +H(0) 2.142e-11 + H2 1.071e-11 1.164e-11 -10.970 -10.934 0.036 28.61 +Hto 8.426e-08 + Hto 8.426e-08 8.426e-08 -7.074 -7.074 0.000 (0) I 8.804e-08 I- 8.804e-08 8.804e-08 -7.055 -7.055 -0.000 (0) K 1.540e-03 @@ -219272,16 +218135,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 2.632e-08 - Nat+ 2.632e-08 2.632e-08 -7.580 -7.580 -0.000 (0) +Nat 2.631e-08 + Nat+ 2.631e-08 2.631e-08 -7.580 -7.580 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.554 -70.518 0.036 30.40 -S(-2) 7.162e-08 - HS- 5.010e-08 3.298e-08 -7.300 -7.482 -0.182 21.14 - H2S 2.152e-08 2.340e-08 -7.667 -7.631 0.036 36.27 - S-2 2.037e-13 4.910e-14 -12.691 -13.309 -0.618 (0) - (H2S)2 2.653e-17 2.885e-17 -16.576 -16.540 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.557 -70.521 0.036 30.40 +S(-2) 7.255e-08 + HS- 5.075e-08 3.341e-08 -7.295 -7.476 -0.182 21.14 + H2S 2.180e-08 2.370e-08 -7.662 -7.625 0.036 36.27 + S-2 2.063e-13 4.974e-14 -12.685 -13.303 -0.618 (0) + (H2S)2 2.723e-17 2.960e-17 -16.565 -16.529 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -219290,13 +218152,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.550e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -219313,16 +218175,16 @@ Sr 5.000e-04 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.94 -3.10 H2 + H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.64 -14.57 -7.94 H2S + H2S(g) -6.63 -14.57 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.63 -70.52 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.73 0.15 4.88 S + Sulfur -4.72 0.16 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -219346,7 +218208,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -219356,7 +218218,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -219365,14 +218227,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6578e-10 H 1.2951e-04 - Hto 4.1651e-09 - I 3.8720e-21 + Hto 4.1649e-09 + I 3.8729e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.5741e-09 + Nat 4.5738e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -219396,25 +218258,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.783e-09 9.170e-10 + Nat 7.783e-09 9.169e-10 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.339e-09 + Electrical balance (eq) = -2.693e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -219428,8 +218290,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.723e-11 - CH4 4.723e-11 5.135e-11 -10.326 -10.289 0.036 35.46 +C(-4) 4.802e-11 + CH4 4.802e-11 5.221e-11 -10.319 -10.282 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -219453,8 +218315,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.152e-11 - H2 1.076e-11 1.170e-11 -10.968 -10.932 0.036 28.61 +H(0) 2.161e-11 + H2 1.081e-11 1.175e-11 -10.966 -10.930 0.036 28.61 Hto 3.530e-08 Hto 3.530e-08 3.530e-08 -7.452 -7.452 0.000 (0) I 3.287e-08 @@ -219474,16 +218336,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 7.783e-09 Nat+ 7.783e-09 7.783e-09 -8.109 -8.109 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.561 -70.525 0.036 30.40 -S(-2) 7.398e-08 - HS- 5.175e-08 3.407e-08 -7.286 -7.468 -0.182 21.14 - H2S 2.223e-08 2.417e-08 -7.653 -7.617 0.036 36.27 - S-2 2.104e-13 5.072e-14 -12.677 -13.295 -0.618 (0) - (H2S)2 2.831e-17 3.078e-17 -16.548 -16.512 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 +S(-2) 7.523e-08 + HS- 5.263e-08 3.464e-08 -7.279 -7.460 -0.182 21.14 + H2S 2.260e-08 2.457e-08 -7.646 -7.610 0.036 36.27 + S-2 2.140e-13 5.158e-14 -12.670 -13.288 -0.618 (0) + (H2S)2 2.927e-17 3.182e-17 -16.534 -16.497 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -219510,21 +218371,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.62 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.17 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -219548,7 +218409,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -1.001e-10 Surface + diffuse layer charge, eq + -1.004e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -219558,7 +218419,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -219567,14 +218428,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 1.5109e-09 - I 1.2406e-21 + Hto 1.5108e-09 + I 1.2404e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1236e-09 + Nat 1.1235e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -219605,18 +218466,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.335e-09 + Electrical balance (eq) = -2.690e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -219630,8 +218491,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.763e-11 - CH4 4.763e-11 5.179e-11 -10.322 -10.286 0.036 35.46 +C(-4) 4.855e-11 + CH4 4.855e-11 5.278e-11 -10.314 -10.278 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -219651,12 +218512,12 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.157e-11 - H2 1.078e-11 1.172e-11 -10.967 -10.931 0.036 28.61 + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.167e-11 + H2 1.083e-11 1.178e-11 -10.965 -10.929 0.036 28.61 Hto 1.280e-08 Hto 1.280e-08 1.280e-08 -7.893 -7.893 0.000 (0) I 1.053e-08 @@ -219676,16 +218537,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.912e-09 Nat+ 1.912e-09 1.912e-09 -8.719 -8.719 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.563 -70.527 0.036 30.40 -S(-2) 7.461e-08 - HS- 5.220e-08 3.436e-08 -7.282 -7.464 -0.182 21.14 - H2S 2.242e-08 2.437e-08 -7.649 -7.613 0.036 36.27 - S-2 2.122e-13 5.115e-14 -12.673 -13.291 -0.618 (0) - (H2S)2 2.879e-17 3.131e-17 -16.541 -16.504 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.567 -70.531 0.036 30.40 +S(-2) 7.605e-08 + HS- 5.320e-08 3.502e-08 -7.274 -7.456 -0.182 21.14 + H2S 2.285e-08 2.484e-08 -7.641 -7.605 0.036 36.27 + S-2 2.163e-13 5.214e-14 -12.665 -13.283 -0.618 (0) + (H2S)2 2.991e-17 3.252e-17 -16.524 -16.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -219695,7 +218555,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -219712,19 +218572,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.55 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -219750,7 +218610,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -219760,7 +218620,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -219769,14 +218629,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 4.7880e-10 - I 3.4442e-22 + Hto 4.7878e-10 + I 3.4452e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.3384e-10 + Nat 2.3381e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -219795,30 +218655,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.058e-09 4.780e-10 + Hto 4.057e-09 4.780e-10 I 2.924e-09 3.445e-10 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.979e-10 4.688e-11 + Nat 3.979e-10 4.687e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.332e-09 + Electrical balance (eq) = -2.687e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -219832,8 +218692,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.760e-11 - CH4 4.760e-11 5.176e-11 -10.322 -10.286 0.036 35.46 +C(-4) 4.857e-11 + CH4 4.857e-11 5.280e-11 -10.314 -10.277 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -219853,14 +218713,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.156e-11 - H2 1.078e-11 1.172e-11 -10.967 -10.931 0.036 28.61 -Hto 4.058e-09 - Hto 4.058e-09 4.058e-09 -8.392 -8.392 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.167e-11 + H2 1.084e-11 1.178e-11 -10.965 -10.929 0.036 28.61 +Hto 4.057e-09 + Hto 4.057e-09 4.057e-09 -8.392 -8.392 0.000 (0) I 2.924e-09 I- 2.924e-09 2.924e-09 -8.534 -8.534 -0.000 (0) K 1.540e-03 @@ -219878,16 +218738,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 3.979e-10 Nat+ 3.979e-10 3.979e-10 -9.400 -9.400 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.563 -70.527 0.036 30.40 -S(-2) 7.457e-08 - HS- 5.216e-08 3.434e-08 -7.283 -7.464 -0.182 21.14 - H2S 2.241e-08 2.436e-08 -7.650 -7.613 0.036 36.27 - S-2 2.121e-13 5.112e-14 -12.674 -13.291 -0.618 (0) - (H2S)2 2.876e-17 3.127e-17 -16.541 -16.505 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.567 -70.531 0.036 30.40 +S(-2) 7.608e-08 + HS- 5.322e-08 3.503e-08 -7.274 -7.455 -0.182 21.14 + H2S 2.286e-08 2.485e-08 -7.641 -7.605 0.036 36.27 + S-2 2.164e-13 5.216e-14 -12.665 -13.283 -0.618 (0) + (H2S)2 2.993e-17 3.254e-17 -16.524 -16.488 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -219897,7 +218756,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -219914,19 +218773,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -219952,7 +218811,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -9.989e-11 Surface + diffuse layer charge, eq + -1.002e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -219962,7 +218821,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -219971,14 +218830,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6578e-10 H 1.2951e-04 - Hto 1.3363e-10 + Hto 1.3362e-10 I 8.3765e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.1898e-11 + Nat 4.1892e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -220002,25 +218861,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.129e-11 8.399e-12 + Nat 7.128e-11 8.398e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.814e-09 + Electrical balance (eq) = -2.171e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -220034,8 +218893,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.743e-11 - CH4 4.743e-11 5.156e-11 -10.324 -10.288 0.036 35.46 +C(-4) 4.841e-11 + CH4 4.841e-11 5.263e-11 -10.315 -10.279 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -220058,9 +218917,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.154e-11 - H2 1.077e-11 1.171e-11 -10.968 -10.931 0.036 28.61 + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.165e-11 + H2 1.083e-11 1.177e-11 -10.965 -10.929 0.036 28.61 Hto 1.132e-09 Hto 1.132e-09 1.132e-09 -8.946 -8.946 0.000 (0) I 7.109e-10 @@ -220080,16 +218939,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 7.129e-11 - Nat+ 7.129e-11 7.129e-11 -10.147 -10.147 -0.000 (0) +Nat 7.128e-11 + Nat+ 7.128e-11 7.128e-11 -10.147 -10.147 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.562 -70.526 0.036 30.40 -S(-2) 7.429e-08 - HS- 5.197e-08 3.421e-08 -7.284 -7.466 -0.182 21.14 - H2S 2.232e-08 2.427e-08 -7.651 -7.615 0.036 36.27 - S-2 2.113e-13 5.093e-14 -12.675 -13.293 -0.618 (0) - (H2S)2 2.855e-17 3.104e-17 -16.544 -16.508 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.567 -70.530 0.036 30.40 +S(-2) 7.583e-08 + HS- 5.304e-08 3.492e-08 -7.275 -7.457 -0.182 21.14 + H2S 2.278e-08 2.477e-08 -7.642 -7.606 0.036 36.27 + S-2 2.157e-13 5.199e-14 -12.666 -13.284 -0.618 (0) + (H2S)2 2.974e-17 3.233e-17 -16.527 -16.490 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -220116,21 +218974,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.17 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -220154,7 +219012,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -9.980e-11 Surface + diffuse layer charge, eq + -1.001e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -220164,7 +219022,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -220173,14 +219031,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6578e-10 H 1.2951e-04 - Hto 3.3080e-11 - I 1.7978e-23 + Hto 3.3077e-11 + I 1.7981e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.5452e-12 + Nat 6.5441e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -220199,7 +219057,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.803e-10 3.303e-11 + Hto 2.803e-10 3.302e-11 I 1.526e-10 1.798e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -220211,18 +219069,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.764e-09 + Electrical balance (eq) = -2.118e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -220236,8 +219094,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.726e-11 - CH4 4.726e-11 5.138e-11 -10.326 -10.289 0.036 35.46 +C(-4) 4.825e-11 + CH4 4.825e-11 5.245e-11 -10.317 -10.280 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -220260,9 +219118,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.152e-11 - H2 1.076e-11 1.170e-11 -10.968 -10.932 0.036 28.61 + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.164e-11 + H2 1.082e-11 1.176e-11 -10.966 -10.930 0.036 28.61 Hto 2.803e-10 Hto 2.803e-10 2.803e-10 -9.552 -9.552 0.000 (0) I 1.526e-10 @@ -220282,16 +219140,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.114e-11 Nat+ 1.114e-11 1.114e-11 -10.953 -10.953 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.562 -70.525 0.036 30.40 -S(-2) 7.403e-08 - HS- 5.179e-08 3.409e-08 -7.286 -7.467 -0.182 21.14 - H2S 2.224e-08 2.418e-08 -7.653 -7.616 0.036 36.27 - S-2 2.105e-13 5.075e-14 -12.677 -13.295 -0.618 (0) - (H2S)2 2.835e-17 3.082e-17 -16.547 -16.511 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.566 -70.530 0.036 30.40 +S(-2) 7.557e-08 + HS- 5.287e-08 3.480e-08 -7.277 -7.458 -0.182 21.14 + H2S 2.271e-08 2.469e-08 -7.644 -7.608 0.036 36.27 + S-2 2.149e-13 5.181e-14 -12.668 -13.286 -0.618 (0) + (H2S)2 2.954e-17 3.212e-17 -16.530 -16.493 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -220307,7 +219164,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.937 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -220318,21 +219175,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.17 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -220356,7 +219213,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -9.975e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -220366,7 +219223,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -220375,14 +219232,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6578e-10 H 1.2951e-04 - Hto 7.3111e-12 - I 3.4335e-24 + Hto 7.3104e-12 + I 3.4331e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.0074e-13 + Nat 9.0056e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -220401,30 +219258,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.196e-11 7.299e-12 + Hto 6.195e-11 7.299e-12 I 2.914e-11 3.433e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.533e-12 1.806e-13 + Nat 1.532e-12 1.805e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.219e-09 + Electrical balance (eq) = -2.573e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -220438,15 +219295,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.719e-11 - CH4 4.719e-11 5.130e-11 -10.326 -10.290 0.036 35.46 +C(-4) 4.818e-11 + CH4 4.818e-11 5.238e-11 -10.317 -10.281 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -220457,16 +219314,16 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.152e-11 - H2 1.076e-11 1.170e-11 -10.968 -10.932 0.036 28.61 -Hto 6.196e-11 - Hto 6.196e-11 6.196e-11 -10.208 -10.208 0.000 (0) +H(0) 2.163e-11 + H2 1.081e-11 1.176e-11 -10.966 -10.930 0.036 28.61 +Hto 6.195e-11 + Hto 6.195e-11 6.195e-11 -10.208 -10.208 0.000 (0) I 2.914e-11 I- 2.914e-11 2.914e-11 -10.536 -10.536 -0.000 (0) K 1.540e-03 @@ -220484,16 +219341,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.533e-12 - Nat+ 1.533e-12 1.533e-12 -11.815 -11.815 -0.000 (0) +Nat 1.532e-12 + Nat+ 1.532e-12 1.532e-12 -11.815 -11.815 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.561 -70.525 0.036 30.40 -S(-2) 7.392e-08 - HS- 5.171e-08 3.404e-08 -7.286 -7.468 -0.182 21.14 - H2S 2.221e-08 2.415e-08 -7.653 -7.617 0.036 36.27 - S-2 2.102e-13 5.067e-14 -12.677 -13.295 -0.618 (0) - (H2S)2 2.826e-17 3.073e-17 -16.549 -16.512 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.566 -70.529 0.036 30.40 +S(-2) 7.546e-08 + HS- 5.279e-08 3.475e-08 -7.277 -7.459 -0.182 21.14 + H2S 2.267e-08 2.465e-08 -7.644 -7.608 0.036 36.27 + S-2 2.146e-13 5.174e-14 -12.668 -13.286 -0.618 (0) + (H2S)2 2.945e-17 3.202e-17 -16.531 -16.495 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -220509,7 +219365,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -220520,21 +219376,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -220558,7 +219414,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -9.975e-11 Surface + diffuse layer charge, eq + -1.000e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -220568,7 +219424,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -220577,14 +219433,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6578e-10 H 1.2951e-04 - Hto 1.4507e-12 - I 5.8656e-25 + Hto 1.4505e-12 + I 5.8666e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1013e-13 + Nat 1.1010e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -220608,25 +219464,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.874e-13 2.208e-14 + Nat 1.874e-13 2.207e-14 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.233e-09 + Electrical balance (eq) = -2.587e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -220640,8 +219496,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.724e-11 - CH4 4.724e-11 5.136e-11 -10.326 -10.289 0.036 35.46 +C(-4) 4.823e-11 + CH4 4.823e-11 5.244e-11 -10.317 -10.280 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -220664,9 +219520,9 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.152e-11 - H2 1.076e-11 1.170e-11 -10.968 -10.932 0.036 28.61 + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.163e-11 + H2 1.082e-11 1.176e-11 -10.966 -10.930 0.036 28.61 Hto 1.229e-11 Hto 1.229e-11 1.229e-11 -10.910 -10.910 0.000 (0) I 4.979e-12 @@ -220686,16 +219542,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.874e-13 Nat+ 1.874e-13 1.874e-13 -12.727 -12.727 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.561 -70.525 0.036 30.40 -S(-2) 7.400e-08 - HS- 5.177e-08 3.408e-08 -7.286 -7.468 -0.182 21.14 - H2S 2.224e-08 2.417e-08 -7.653 -7.617 0.036 36.27 - S-2 2.105e-13 5.073e-14 -12.677 -13.295 -0.618 (0) - (H2S)2 2.833e-17 3.080e-17 -16.548 -16.512 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.566 -70.530 0.036 30.40 +S(-2) 7.555e-08 + HS- 5.285e-08 3.479e-08 -7.277 -7.459 -0.182 21.14 + H2S 2.270e-08 2.468e-08 -7.644 -7.608 0.036 36.27 + S-2 2.149e-13 5.180e-14 -12.668 -13.286 -0.618 (0) + (H2S)2 2.952e-17 3.209e-17 -16.530 -16.494 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -220711,7 +219566,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.937 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -220722,21 +219577,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.17 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -220760,7 +219615,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -9.983e-11 Surface + diffuse layer charge, eq + -1.001e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -220770,7 +219625,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -220779,14 +219634,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6580e-10 + Cl 4.6578e-10 H 1.2951e-04 - Hto 2.5968e-13 + Hto 2.5964e-13 I 9.0208e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2046e-14 + Nat 1.2043e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -220805,30 +219660,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.201e-12 2.593e-13 + Hto 2.200e-12 2.592e-13 I 7.656e-13 9.019e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.050e-14 2.415e-15 + Nat 2.049e-14 2.414e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.201 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.426e-10 + Electrical balance (eq) = -1.097e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -220842,8 +219697,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.742e-11 - CH4 4.742e-11 5.155e-11 -10.324 -10.288 0.036 35.46 +C(-4) 4.840e-11 + CH4 4.840e-11 5.263e-11 -10.315 -10.279 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -220866,11 +219721,11 @@ Ca 2.590e-02 CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.154e-11 - H2 1.077e-11 1.171e-11 -10.968 -10.931 0.036 28.61 -Hto 2.201e-12 - Hto 2.201e-12 2.201e-12 -11.657 -11.657 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.165e-11 + H2 1.083e-11 1.177e-11 -10.965 -10.929 0.036 28.61 +Hto 2.200e-12 + Hto 2.200e-12 2.200e-12 -11.658 -11.658 0.000 (0) I 7.656e-13 I- 7.656e-13 7.656e-13 -12.116 -12.116 -0.000 (0) K 1.540e-03 @@ -220888,16 +219743,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 2.050e-14 - Nat+ 2.050e-14 2.050e-14 -13.688 -13.688 -0.000 (0) +Nat 2.049e-14 + Nat+ 2.049e-14 2.049e-14 -13.688 -13.688 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.562 -70.526 0.036 30.40 -S(-2) 7.428e-08 - HS- 5.196e-08 3.420e-08 -7.284 -7.466 -0.182 21.14 - H2S 2.232e-08 2.426e-08 -7.651 -7.615 0.036 36.27 - S-2 2.112e-13 5.092e-14 -12.675 -13.293 -0.618 (0) - (H2S)2 2.853e-17 3.102e-17 -16.545 -16.508 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.567 -70.530 0.036 30.40 +S(-2) 7.582e-08 + HS- 5.304e-08 3.492e-08 -7.275 -7.457 -0.182 21.14 + H2S 2.278e-08 2.477e-08 -7.642 -7.606 0.036 36.27 + S-2 2.156e-13 5.198e-14 -12.666 -13.284 -0.618 (0) + (H2S)2 2.973e-17 3.233e-17 -16.527 -16.490 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -220924,21 +219778,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.29 -2.80 CH4 + CH4(g) -7.48 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.56 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.17 4.88 S + Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -220962,7 +219816,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -9.990e-11 Surface + diffuse layer charge, eq + -1.002e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -220972,7 +219826,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -220981,14 +219835,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 4.2116e-14 - I 1.2538e-26 + Hto 4.2109e-14 + I 1.2540e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1858e-15 + Nat 1.1855e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -221007,30 +219861,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.569e-13 4.205e-14 + Hto 3.569e-13 4.204e-14 I 1.064e-13 1.254e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.018e-15 2.377e-16 + Nat 2.017e-15 2.376e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.329e-09 + Electrical balance (eq) = -2.684e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -221044,8 +219898,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.765e-11 - CH4 4.765e-11 5.181e-11 -10.322 -10.286 0.036 35.46 +C(-4) 4.864e-11 + CH4 4.864e-11 5.288e-11 -10.313 -10.277 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -221065,14 +219919,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.157e-11 - H2 1.078e-11 1.173e-11 -10.967 -10.931 0.036 28.61 + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.168e-11 + H2 1.084e-11 1.179e-11 -10.965 -10.929 0.036 28.61 Hto 3.569e-13 - Hto 3.569e-13 3.569e-13 -12.447 -12.447 0.000 (0) + Hto 3.569e-13 3.569e-13 -12.448 -12.448 0.000 (0) I 1.064e-13 I- 1.064e-13 1.064e-13 -12.973 -12.973 -0.000 (0) K 1.540e-03 @@ -221090,16 +219944,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 2.018e-15 - Nat+ 2.018e-15 2.018e-15 -14.695 -14.695 -0.000 (0) +Nat 2.017e-15 + Nat+ 2.017e-15 2.017e-15 -14.695 -14.695 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.563 -70.527 0.036 30.40 -S(-2) 7.464e-08 - HS- 5.222e-08 3.437e-08 -7.282 -7.464 -0.182 21.14 - H2S 2.243e-08 2.438e-08 -7.649 -7.613 0.036 36.27 - S-2 2.123e-13 5.117e-14 -12.673 -13.291 -0.618 (0) - (H2S)2 2.882e-17 3.133e-17 -16.540 -16.504 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.568 -70.531 0.036 30.40 +S(-2) 7.619e-08 + HS- 5.330e-08 3.509e-08 -7.273 -7.455 -0.182 21.14 + H2S 2.289e-08 2.489e-08 -7.640 -7.604 0.036 36.27 + S-2 2.167e-13 5.224e-14 -12.664 -13.282 -0.618 (0) + (H2S)2 3.002e-17 3.264e-17 -16.523 -16.486 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -221109,7 +219962,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -221126,19 +219979,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.29 -2.80 CH4 + CH4(g) -7.47 -10.28 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.55 -7.94 H2S + H2S(g) -6.61 -14.55 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.53 -2.89 O2 + O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.71 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -221164,7 +220017,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -9.997e-11 Surface + diffuse layer charge, eq + -1.002e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -221174,7 +220027,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -221183,14 +220036,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 6.2113e-15 + Hto 6.2102e-15 I 1.5825e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0555e-16 + Nat 1.0552e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -221209,30 +220062,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 5.264e-14 6.201e-15 + Hto 5.263e-14 6.200e-15 I 1.343e-14 1.582e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.796e-16 2.116e-17 + Nat 1.796e-16 2.115e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.332e-09 + Electrical balance (eq) = -2.687e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -221246,8 +220099,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.785e-11 - CH4 4.785e-11 5.202e-11 -10.320 -10.284 0.036 35.46 +C(-4) 4.884e-11 + CH4 4.884e-11 5.310e-11 -10.311 -10.275 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -221267,14 +220120,14 @@ Ca 2.590e-02 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.159e-11 - H2 1.080e-11 1.174e-11 -10.967 -10.930 0.036 28.61 -Hto 5.264e-14 - Hto 5.264e-14 5.264e-14 -13.279 -13.279 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.170e-11 + H2 1.085e-11 1.180e-11 -10.965 -10.928 0.036 28.61 +Hto 5.263e-14 + Hto 5.263e-14 5.263e-14 -13.279 -13.279 0.000 (0) I 1.343e-14 I- 1.343e-14 1.343e-14 -13.872 -13.872 -0.000 (0) K 1.540e-03 @@ -221292,16 +220145,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.796e-16 Nat+ 1.796e-16 1.796e-16 -15.746 -15.746 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.564 -70.528 0.036 30.40 -S(-2) 7.496e-08 - HS- 5.243e-08 3.452e-08 -7.280 -7.462 -0.182 21.14 - H2S 2.252e-08 2.449e-08 -7.647 -7.611 0.036 36.27 - S-2 2.132e-13 5.139e-14 -12.671 -13.289 -0.618 (0) - (H2S)2 2.906e-17 3.159e-17 -16.537 -16.500 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.569 -70.532 0.036 30.40 +S(-2) 7.650e-08 + HS- 5.352e-08 3.523e-08 -7.272 -7.453 -0.182 21.14 + H2S 2.299e-08 2.499e-08 -7.639 -7.602 0.036 36.27 + S-2 2.176e-13 5.245e-14 -12.662 -13.280 -0.618 (0) + (H2S)2 3.027e-17 3.291e-17 -16.519 -16.483 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -221311,7 +220163,7 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 @@ -221328,21 +220180,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.71 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -221366,7 +220218,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -221376,7 +220228,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -221385,14 +220237,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 8.3565e-16 - I 1.8188e-28 + Hto 8.3550e-16 + I 1.8191e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.5322e-18 + Nat 8.5293e-18 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -221411,30 +220263,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.082e-15 8.343e-16 + Hto 7.080e-15 8.341e-16 I 1.544e-15 1.819e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.452e-17 1.710e-18 + Nat 1.451e-17 1.710e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.333e-09 + Electrical balance (eq) = -2.688e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -221448,35 +220300,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.797e-11 - CH4 4.797e-11 5.215e-11 -10.319 -10.283 0.036 35.46 +C(-4) 4.896e-11 + CH4 4.896e-11 5.323e-11 -10.310 -10.274 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.161e-11 - H2 1.080e-11 1.174e-11 -10.966 -10.930 0.036 28.61 -Hto 7.082e-15 - Hto 7.082e-15 7.082e-15 -14.150 -14.150 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.172e-11 + H2 1.086e-11 1.180e-11 -10.964 -10.928 0.036 28.61 +Hto 7.080e-15 + Hto 7.080e-15 7.080e-15 -14.150 -14.150 0.000 (0) I 1.544e-15 I- 1.544e-15 1.544e-15 -14.811 -14.811 -0.000 (0) K 1.540e-03 @@ -221494,16 +220346,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.452e-17 - Nat+ 1.452e-17 1.452e-17 -16.838 -16.838 -0.000 (0) +Nat 1.451e-17 + Nat+ 1.451e-17 1.451e-17 -16.838 -16.838 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.565 -70.528 0.036 30.40 -S(-2) 7.514e-08 - HS- 5.257e-08 3.460e-08 -7.279 -7.461 -0.182 21.14 - H2S 2.258e-08 2.455e-08 -7.646 -7.610 0.036 36.27 - S-2 2.137e-13 5.152e-14 -12.670 -13.288 -0.618 (0) - (H2S)2 2.920e-17 3.175e-17 -16.535 -16.498 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.569 -70.533 0.036 30.40 +S(-2) 7.669e-08 + HS- 5.365e-08 3.532e-08 -7.270 -7.452 -0.182 21.14 + H2S 2.304e-08 2.505e-08 -7.637 -7.601 0.036 36.27 + S-2 2.181e-13 5.258e-14 -12.661 -13.279 -0.618 (0) + (H2S)2 3.042e-17 3.307e-17 -16.517 -16.481 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -221513,12 +220364,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -221530,21 +220381,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.71 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -221568,7 +220419,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -221578,7 +220429,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -221587,14 +220438,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 1.0284e-16 - I 1.9105e-29 + Hto 1.0282e-16 + I 1.9102e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.2844e-19 + Nat 6.2821e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -221613,30 +220464,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.715e-16 1.027e-16 + Hto 8.714e-16 1.027e-16 I 1.621e-16 1.910e-17 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.069e-18 1.260e-19 + Nat 1.069e-18 1.259e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.333e-09 + Electrical balance (eq) = -2.688e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -221650,35 +220501,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.802e-11 - CH4 4.802e-11 5.221e-11 -10.319 -10.282 0.036 35.46 +C(-4) 4.901e-11 + CH4 4.901e-11 5.329e-11 -10.310 -10.273 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.161e-11 - H2 1.081e-11 1.175e-11 -10.966 -10.930 0.036 28.61 -Hto 8.715e-16 - Hto 8.715e-16 8.715e-16 -15.060 -15.060 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.172e-11 + H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 +Hto 8.714e-16 + Hto 8.714e-16 8.714e-16 -15.060 -15.060 0.000 (0) I 1.621e-16 I- 1.621e-16 1.621e-16 -15.790 -15.790 -0.000 (0) K 1.540e-03 @@ -221696,16 +220547,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 1.069e-18 Nat+ 1.069e-18 1.069e-18 -17.971 -17.971 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 -S(-2) 7.523e-08 - HS- 5.262e-08 3.464e-08 -7.279 -7.460 -0.182 21.14 - H2S 2.260e-08 2.457e-08 -7.646 -7.610 0.036 36.27 - S-2 2.140e-13 5.157e-14 -12.670 -13.288 -0.618 (0) - (H2S)2 2.927e-17 3.182e-17 -16.534 -16.497 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.569 -70.533 0.036 30.40 +S(-2) 7.677e-08 + HS- 5.371e-08 3.536e-08 -7.270 -7.452 -0.182 21.14 + H2S 2.307e-08 2.508e-08 -7.637 -7.601 0.036 36.27 + S-2 2.184e-13 5.264e-14 -12.661 -13.279 -0.618 (0) + (H2S)2 3.048e-17 3.314e-17 -16.516 -16.480 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -221715,12 +220565,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -221732,21 +220582,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.62 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -221770,7 +220620,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -221780,7 +220630,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -221789,14 +220639,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 1.1604e-17 + Hto 1.1602e-17 I 1.8373e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.2302e-20 + Nat 4.2285e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -221815,30 +220665,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.834e-17 1.159e-17 + Hto 9.832e-17 1.158e-17 I 1.560e-17 1.837e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.198e-20 8.480e-21 + Nat 7.195e-20 8.477e-21 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.333e-09 + Electrical balance (eq) = -2.688e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -221852,35 +220702,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.804e-11 - CH4 4.804e-11 5.223e-11 -10.318 -10.282 0.036 35.46 +C(-4) 4.903e-11 + CH4 4.903e-11 5.331e-11 -10.310 -10.273 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.161e-11 - H2 1.081e-11 1.175e-11 -10.966 -10.930 0.036 28.61 -Hto 9.834e-17 - Hto 9.834e-17 9.834e-17 -16.007 -16.007 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.172e-11 + H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 +Hto 9.832e-17 + Hto 9.832e-17 9.832e-17 -16.007 -16.007 0.000 (0) I 1.560e-17 I- 1.560e-17 1.560e-17 -16.807 -16.807 -0.000 (0) K 1.540e-03 @@ -221898,16 +220748,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 7.198e-20 - Nat+ 7.198e-20 7.198e-20 -19.143 -19.143 -0.000 (0) +Nat 7.195e-20 + Nat+ 7.195e-20 7.195e-20 -19.143 -19.143 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 -S(-2) 7.525e-08 - HS- 5.264e-08 3.466e-08 -7.279 -7.460 -0.182 21.14 - H2S 2.261e-08 2.458e-08 -7.646 -7.609 0.036 36.27 - S-2 2.140e-13 5.159e-14 -12.670 -13.287 -0.618 (0) - (H2S)2 2.929e-17 3.185e-17 -16.533 -16.497 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 +S(-2) 7.680e-08 + HS- 5.373e-08 3.537e-08 -7.270 -7.451 -0.182 21.14 + H2S 2.307e-08 2.509e-08 -7.637 -7.601 0.036 36.27 + S-2 2.184e-13 5.266e-14 -12.661 -13.279 -0.618 (0) + (H2S)2 3.050e-17 3.317e-17 -16.516 -16.479 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -221917,12 +220766,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -221934,21 +220783,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -221972,7 +220821,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -221982,7 +220831,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -221991,14 +220840,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 1.2029e-18 - I 1.6221e-31 + Hto 1.2026e-18 + I 1.6219e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.6085e-21 + Nat 2.6074e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -222022,25 +220871,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.439e-21 5.229e-22 + Nat 4.437e-21 5.227e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.333e-09 + Electrical balance (eq) = -2.688e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -222054,33 +220903,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.805e-11 - CH4 4.805e-11 5.224e-11 -10.318 -10.282 0.036 35.46 +C(-4) 4.903e-11 + CH4 4.903e-11 5.331e-11 -10.309 -10.273 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.161e-11 - H2 1.081e-11 1.175e-11 -10.966 -10.930 0.036 28.61 + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.172e-11 + H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 Hto 1.019e-17 Hto 1.019e-17 1.019e-17 -16.992 -16.992 0.000 (0) I 1.377e-18 @@ -222100,16 +220949,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 4.439e-21 - Nat+ 4.439e-21 4.439e-21 -20.353 -20.353 -0.000 (0) +Nat 4.437e-21 + Nat+ 4.437e-21 4.437e-21 -20.353 -20.353 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 -S(-2) 7.526e-08 - HS- 5.265e-08 3.466e-08 -7.279 -7.460 -0.182 21.14 - H2S 2.261e-08 2.459e-08 -7.646 -7.609 0.036 36.27 - S-2 2.141e-13 5.160e-14 -12.669 -13.287 -0.618 (0) - (H2S)2 2.930e-17 3.185e-17 -16.533 -16.497 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 +S(-2) 7.681e-08 + HS- 5.373e-08 3.537e-08 -7.270 -7.451 -0.182 21.14 + H2S 2.308e-08 2.509e-08 -7.637 -7.600 0.036 36.27 + S-2 2.185e-13 5.266e-14 -12.661 -13.279 -0.618 (0) + (H2S)2 3.051e-17 3.317e-17 -16.516 -16.479 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -222119,12 +220967,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -222136,21 +220984,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -222174,7 +221022,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -222184,7 +221032,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -222193,14 +221041,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 1.1481e-19 - I 1.3170e-32 + Hto 1.1478e-19 + I 1.3172e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4750e-22 + Nat 1.4744e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -222219,30 +221067,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.729e-19 1.146e-19 + Hto 9.727e-19 1.146e-19 I 1.118e-19 1.317e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.510e-22 2.957e-23 + Nat 2.509e-22 2.956e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.333e-09 + Electrical balance (eq) = -2.688e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -222256,35 +221104,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.805e-11 - CH4 4.805e-11 5.224e-11 -10.318 -10.282 0.036 35.46 +C(-4) 4.904e-11 + CH4 4.904e-11 5.331e-11 -10.309 -10.273 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.161e-11 - H2 1.081e-11 1.175e-11 -10.966 -10.930 0.036 28.61 -Hto 9.729e-19 - Hto 9.729e-19 9.729e-19 -18.012 -18.012 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.172e-11 + H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 +Hto 9.727e-19 + Hto 9.727e-19 9.727e-19 -18.012 -18.012 0.000 (0) I 1.118e-19 I- 1.118e-19 1.118e-19 -18.952 -18.952 -0.000 (0) K 1.540e-03 @@ -222302,16 +221150,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 2.510e-22 - Nat+ 2.510e-22 2.510e-22 -21.600 -21.600 -0.000 (0) +Nat 2.509e-22 + Nat+ 2.509e-22 2.509e-22 -21.601 -21.601 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 -S(-2) 7.526e-08 - HS- 5.265e-08 3.466e-08 -7.279 -7.460 -0.182 21.14 - H2S 2.261e-08 2.459e-08 -7.646 -7.609 0.036 36.27 - S-2 2.141e-13 5.160e-14 -12.669 -13.287 -0.618 (0) - (H2S)2 2.930e-17 3.185e-17 -16.533 -16.497 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 +S(-2) 7.681e-08 + HS- 5.373e-08 3.537e-08 -7.270 -7.451 -0.182 21.14 + H2S 2.308e-08 2.509e-08 -7.637 -7.600 0.036 36.27 + S-2 2.185e-13 5.266e-14 -12.661 -13.278 -0.618 (0) + (H2S)2 3.051e-17 3.317e-17 -16.516 -16.479 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -222321,12 +221168,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -222338,21 +221185,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -222376,7 +221223,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -222386,7 +221233,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -222395,14 +221242,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6579e-10 + Cl 4.6577e-10 H 1.2951e-04 - Hto 1.0904e-20 - I 1.0519e-33 + Hto 1.0901e-20 + I 1.0517e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.8606e-24 + Nat 7.8569e-24 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -222421,30 +221268,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.240e-20 1.089e-20 + Hto 9.238e-20 1.088e-20 I 8.928e-21 1.052e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.338e-23 1.576e-24 + Nat 1.337e-23 1.575e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.333e-09 + Electrical balance (eq) = -2.688e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -222458,35 +221305,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.805e-11 - CH4 4.805e-11 5.224e-11 -10.318 -10.282 0.036 35.46 +C(-4) 4.904e-11 + CH4 4.904e-11 5.331e-11 -10.309 -10.273 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.161e-11 - H2 1.081e-11 1.175e-11 -10.966 -10.930 0.036 28.61 -Hto 9.240e-20 - Hto 9.240e-20 9.240e-20 -19.034 -19.034 0.000 (0) + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.172e-11 + H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 +Hto 9.238e-20 + Hto 9.238e-20 9.238e-20 -19.034 -19.034 0.000 (0) I 8.928e-21 I- 8.928e-21 8.928e-21 -20.049 -20.049 -0.000 (0) K 1.540e-03 @@ -222504,16 +221351,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.338e-23 - Nat+ 1.338e-23 1.338e-23 -22.874 -22.874 -0.000 (0) +Nat 1.337e-23 + Nat+ 1.337e-23 1.337e-23 -22.874 -22.874 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.565 -70.529 0.036 30.40 -S(-2) 7.527e-08 - HS- 5.265e-08 3.466e-08 -7.279 -7.460 -0.182 21.14 - H2S 2.261e-08 2.459e-08 -7.646 -7.609 0.036 36.27 - S-2 2.141e-13 5.160e-14 -12.669 -13.287 -0.618 (0) - (H2S)2 2.930e-17 3.185e-17 -16.533 -16.497 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 +S(-2) 7.681e-08 + HS- 5.373e-08 3.537e-08 -7.270 -7.451 -0.182 21.14 + H2S 2.308e-08 2.509e-08 -7.637 -7.600 0.036 36.27 + S-2 2.185e-13 5.266e-14 -12.661 -13.278 -0.618 (0) + (H2S)2 3.051e-17 3.317e-17 -16.516 -16.479 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -222523,12 +221369,12 @@ S(6) 1.260e-02 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -222540,21 +221386,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -222584,18 +221430,18 @@ Using solution 0. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.188e-14 + Electrical balance (eq) = 1.177e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -222609,8 +221455,8 @@ Using solution 0. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -222634,8 +221480,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -222655,16 +221501,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -222691,21 +221536,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -222733,18 +221578,18 @@ Using solution 1. Solution after simulation 4. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -1.767 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -1.766 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92733 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.184e-14 + Electrical balance (eq) = 1.180e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 5.550745e+01 @@ -222758,8 +221603,8 @@ Using solution 1. Solution after simulation 4. OH- 1.873e-07 1.233e-07 -6.728 -6.909 -0.182 -3.17 H+ 1.048e-07 8.128e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.642e-22 - CH4 1.642e-22 1.786e-22 -21.785 -21.748 0.036 35.46 +C(-4) 1.616e-22 + CH4 1.616e-22 1.757e-22 -21.792 -21.755 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.604e-04 2.751e-04 -3.584 -3.560 0.024 34.43 @@ -222783,8 +221628,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.645e-09 -8.403 -8.248 0.155 (0) -H(0) 2.938e-14 - H2 1.469e-14 1.597e-14 -13.833 -13.797 0.036 28.61 +H(0) 2.926e-14 + H2 1.463e-14 1.590e-14 -13.835 -13.798 0.036 28.61 Hto 1.000e-06 Hto 1.000e-06 1.000e-06 -6.000 -6.000 0.000 (0) I 1.000e-06 @@ -222804,16 +221649,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.658 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 1.000e-06 Nat+ 1.000e-06 1.000e-06 -6.000 -6.000 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.832 -64.795 0.036 30.40 -S(-2) 2.575e-19 - HS- 1.800e-19 1.185e-19 -18.745 -18.926 -0.182 21.14 - H2S 7.746e-20 8.422e-20 -19.111 -19.075 0.036 36.27 - S-2 7.305e-25 1.761e-25 -24.136 -24.754 -0.618 (0) - (H2S)2 3.438e-40 3.737e-40 -39.464 -39.427 0.036 30.09 + O2 0.000e+00 0.000e+00 -64.828 -64.792 0.036 30.40 +S(-2) 2.533e-19 + HS- 1.771e-19 1.166e-19 -18.752 -18.933 -0.182 21.14 + H2S 7.621e-20 8.286e-20 -19.118 -19.082 0.036 36.27 + S-2 7.187e-25 1.732e-25 -24.143 -24.761 -0.618 (0) + (H2S)2 3.327e-40 3.618e-40 -39.478 -39.442 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -222840,21 +221684,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -18.95 -21.75 -2.80 CH4 + CH4(g) -18.95 -21.76 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -18.08 -26.02 -7.94 H2S + H2S(g) -18.09 -26.02 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -61.90 -64.80 -2.89 O2 + O2(g) -61.90 -64.79 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -13.31 -8.43 4.88 S + Sulfur -13.32 -8.43 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -222891,18 +221735,18 @@ Kinetics 3. ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance - pe = -3.072 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.071 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.50395 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 5.000e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.031e-12 + Electrical balance (eq) = -9.917e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 5.550745e+01 @@ -222916,11 +221760,11 @@ Kinetics 3. OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.127e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.551e-12 - CH4 4.551e-12 4.948e-12 -11.342 -11.306 0.036 35.46 +C(-4) 4.475e-12 + CH4 4.475e-12 4.865e-12 -11.349 -11.313 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 - CO2 2.603e-04 2.751e-04 -3.585 -3.561 0.024 34.43 + CO2 2.603e-04 2.751e-04 -3.584 -3.561 0.024 34.43 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.380e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.385e-05 3.897e-05 -4.269 -4.409 -0.140 122.88 @@ -222929,7 +221773,7 @@ C(4) 2.744e-03 MgCO3 3.627e-06 3.944e-06 -5.440 -5.404 0.036 -17.09 CO3-2 3.379e-06 8.601e-07 -5.471 -6.065 -0.594 -1.53 KHCO3 6.680e-07 6.732e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 (CO2)2 1.278e-09 1.389e-09 -8.894 -8.857 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -222941,8 +221785,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.954e-09 5.644e-09 -8.403 -8.248 0.155 (0) -H(0) 1.199e-11 - H2 5.993e-12 6.516e-12 -11.222 -11.186 0.036 28.61 +H(0) 1.194e-11 + H2 5.968e-12 6.488e-12 -11.224 -11.188 0.036 28.61 Hto 4.986e-07 Hto 4.986e-07 4.986e-07 -6.302 -6.302 0.000 (0) I 6.849e-07 @@ -222962,16 +221806,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.861e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.922e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.724e-07 Nat+ 2.724e-07 2.724e-07 -6.565 -6.565 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.053 -70.017 0.036 30.40 -S(-2) 7.134e-09 - HS- 4.988e-09 3.284e-09 -8.302 -8.484 -0.182 21.14 - H2S 2.146e-09 2.333e-09 -8.668 -8.632 0.036 36.27 - S-2 2.025e-14 4.880e-15 -13.694 -14.312 -0.618 (0) - (H2S)2 2.638e-19 2.869e-19 -18.579 -18.542 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.049 -70.013 0.036 30.40 +S(-2) 7.015e-09 + HS- 4.905e-09 3.229e-09 -8.309 -8.491 -0.182 21.14 + H2S 2.110e-09 2.294e-09 -8.676 -8.639 0.036 36.27 + S-2 1.991e-14 4.799e-15 -13.701 -14.319 -0.618 (0) + (H2S)2 2.551e-19 2.774e-19 -18.593 -18.557 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -222986,7 +221829,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.150e-06 2.948e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.530e-08 7.100e-08 -7.185 -7.149 0.036 -14.13 + SrCO3 6.530e-08 7.099e-08 -7.185 -7.149 0.036 -14.13 SrOH+ 1.153e-10 8.078e-11 -9.938 -10.093 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -222998,19 +221841,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.50 -11.31 -2.80 CH4 + CH4(g) -8.51 -11.31 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -8.08 -11.19 -3.10 H2 + H2(g) -8.09 -11.19 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.64 -15.57 -7.94 H2S + H2S(g) -7.64 -15.58 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.12 -70.02 -2.89 O2 + O2(g) -67.12 -70.01 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -5.48 -0.60 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -223036,7 +221879,7 @@ Kinetics 4. Diffuse Double Layer Surface-Complexation Model Su - -5.174e-14 Surface + diffuse layer charge, eq + -5.224e-14 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -223046,7 +221889,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -223055,10 +221898,10 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6645e-10 + Cl 4.6646e-10 H 1.2948e-04 Hto 5.2348e-08 - I 7.1773e-20 + I 7.1760e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 @@ -223094,17 +221937,17 @@ Su pH = 7.090 Charge balance pe = -3.118 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.500e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.944e-09 + Electrical balance (eq) = 1.676e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (22 overall) Total H = 1.307864e+01 @@ -223118,8 +221961,8 @@ Su OH- 1.873e-07 1.233e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.048e-07 8.125e-08 -6.980 -7.090 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 1.065e-11 - CH4 1.065e-11 1.158e-11 -10.973 -10.936 0.036 35.46 +C(-4) 1.061e-11 + CH4 1.061e-11 1.154e-11 -10.974 -10.938 0.036 35.46 C(4) 2.744e-03 HCO3- 2.098e-03 1.490e-03 -2.678 -2.827 -0.149 25.45 CO2 2.603e-04 2.750e-04 -3.585 -3.561 0.024 34.43 @@ -223143,8 +221986,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.953e-09 5.643e-09 -8.403 -8.249 0.155 (0) -H(0) 1.483e-11 - H2 7.413e-12 8.060e-12 -11.130 -11.094 0.036 28.61 +H(0) 1.481e-11 + H2 7.406e-12 8.052e-12 -11.130 -11.094 0.036 28.61 Hto 4.436e-07 Hto 4.436e-07 4.436e-07 -6.353 -6.353 0.000 (0) I 6.091e-07 @@ -223164,16 +222007,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.200e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.923e-18 2.090e-18 -17.716 -17.680 0.036 (0) Nat 2.494e-07 Nat+ 2.494e-07 2.494e-07 -6.603 -6.603 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.238 -70.201 0.036 30.40 -S(-2) 1.670e-08 - HS- 1.168e-08 7.686e-09 -7.933 -8.114 -0.182 21.14 - H2S 5.022e-09 5.460e-09 -8.299 -8.263 0.036 36.27 - S-2 4.740e-14 1.143e-14 -13.324 -13.942 -0.618 (0) - (H2S)2 1.445e-18 1.571e-18 -17.840 -17.804 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.237 -70.201 0.036 30.40 +S(-2) 1.663e-08 + HS- 1.163e-08 7.656e-09 -7.934 -8.116 -0.182 21.14 + H2S 5.002e-09 5.439e-09 -8.301 -8.265 0.036 36.27 + S-2 4.722e-14 1.138e-14 -13.326 -13.944 -0.618 (0) + (H2S)2 1.434e-18 1.559e-18 -17.844 -17.807 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -223200,14 +222042,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -8.13 -10.94 -2.80 CH4 + CH4(g) -8.14 -10.94 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.99 -11.09 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -7.27 -15.20 -7.94 H2S + H2S(g) -7.27 -15.21 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -223238,7 +222080,7 @@ Kinetics 5. Diffuse Double Layer Surface-Complexation Model Su - -9.621e-11 Surface + diffuse layer charge, eq + -9.623e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -223248,7 +222090,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -223260,11 +222102,11 @@ Su Cl 4.6605e-10 H 1.2950e-04 Hto 3.5652e-08 - I 4.5290e-20 + I 4.5283e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 9.1140e-08 + Nat 9.1139e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -223296,18 +222138,18 @@ Su pH = 7.091 Charge balance pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.487e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 1.900e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 Total O = 6.546049e+00 @@ -223320,8 +222162,8 @@ Su OH- 1.875e-07 1.234e-07 -6.727 -6.909 -0.182 -3.17 H+ 1.047e-07 8.118e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 3.231e-11 - CH4 3.231e-11 3.513e-11 -10.491 -10.454 0.036 35.46 +C(-4) 3.240e-11 + CH4 3.240e-11 3.523e-11 -10.489 -10.453 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.601e-04 2.748e-04 -3.585 -3.561 0.024 34.43 @@ -223345,8 +222187,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.949e-09 5.638e-09 -8.403 -8.249 0.155 (0) -H(0) 1.957e-11 - H2 9.785e-12 1.064e-11 -11.009 -10.973 0.036 28.61 +H(0) 1.958e-11 + H2 9.792e-12 1.065e-11 -11.009 -10.973 0.036 28.61 Hto 3.021e-07 Hto 3.021e-07 3.021e-07 -6.520 -6.520 0.000 (0) I 3.844e-07 @@ -223366,16 +222208,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.924e-18 2.092e-18 -17.716 -17.679 0.036 (0) Nat 1.551e-07 Nat+ 1.551e-07 1.551e-07 -6.809 -6.809 -0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.479 -70.443 0.036 30.40 -S(-2) 5.062e-08 - HS- 3.541e-08 2.331e-08 -7.451 -7.632 -0.182 21.14 - H2S 1.522e-08 1.654e-08 -7.818 -7.781 0.036 36.27 - S-2 1.439e-13 3.468e-14 -12.842 -13.460 -0.618 (0) - (H2S)2 1.326e-17 1.442e-17 -16.877 -16.841 0.036 30.09 +S(-2) 5.077e-08 + HS- 3.551e-08 2.338e-08 -7.450 -7.631 -0.182 21.14 + H2S 1.526e-08 1.659e-08 -7.816 -7.780 0.036 36.27 + S-2 1.443e-13 3.478e-14 -12.841 -13.459 -0.618 (0) + (H2S)2 1.334e-17 1.451e-17 -16.875 -16.838 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -223440,7 +222281,7 @@ Kinetics 6. Diffuse Double Layer Surface-Complexation Model Su - -9.985e-11 Surface + diffuse layer charge, eq + -9.989e-11 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -223450,7 +222291,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -223459,14 +222300,14 @@ Su Element Moles C 1.6144e-04 Ca 7.1884e-02 - Cl 4.6588e-10 + Cl 4.6587e-10 H 1.2950e-04 Hto 2.0629e-08 I 2.3958e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.3035e-08 + Nat 4.3034e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -223498,17 +222339,17 @@ Su pH = 7.091 Charge balance pe = -3.194 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.431e-09 + Electrical balance (eq) = -2.783e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -223522,8 +222363,8 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.047e-07 8.115e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.235e-11 - CH4 4.235e-11 4.605e-11 -10.373 -10.337 0.036 35.46 +C(-4) 4.268e-11 + CH4 4.268e-11 4.640e-11 -10.370 -10.333 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.600e-04 2.747e-04 -3.585 -3.561 0.024 34.43 @@ -223535,7 +222376,7 @@ C(4) 2.744e-03 MgCO3 3.633e-06 3.950e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.615e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.858 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 @@ -223547,8 +222388,8 @@ Ca 2.590e-02 Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.948e-09 5.636e-09 -8.404 -8.249 0.155 (0) -H(0) 2.094e-11 - H2 1.047e-11 1.138e-11 -10.980 -10.944 0.036 28.61 +H(0) 2.098e-11 + H2 1.049e-11 1.141e-11 -10.979 -10.943 0.036 28.61 Hto 1.748e-07 Hto 1.748e-07 1.748e-07 -6.757 -6.757 0.000 (0) I 2.034e-07 @@ -223568,16 +222409,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.716 -17.679 0.036 (0) Nat 7.323e-08 Nat+ 7.323e-08 7.323e-08 -7.135 -7.135 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.538 -70.501 0.036 30.40 -S(-2) 6.635e-08 - HS- 4.641e-08 3.055e-08 -7.333 -7.515 -0.182 21.14 - H2S 1.994e-08 2.168e-08 -7.700 -7.664 0.036 36.27 - S-2 1.887e-13 4.548e-14 -12.724 -13.342 -0.618 (0) - (H2S)2 2.277e-17 2.476e-17 -16.643 -16.606 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.539 -70.503 0.036 30.40 +S(-2) 6.686e-08 + HS- 4.677e-08 3.079e-08 -7.330 -7.512 -0.182 21.14 + H2S 2.009e-08 2.184e-08 -7.697 -7.661 0.036 36.27 + S-2 1.901e-13 4.583e-14 -12.721 -13.339 -0.618 (0) + (H2S)2 2.313e-17 2.514e-17 -16.636 -16.600 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -223592,7 +222432,7 @@ Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.541e-08 7.111e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.541e-08 7.112e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.090e-11 -9.938 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -223604,14 +222444,14 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.53 -10.34 -2.80 CH4 + CH4(g) -7.53 -10.33 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.84 -10.94 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.67 -14.61 -7.94 H2S + H2S(g) -6.67 -14.60 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O @@ -223642,7 +222482,7 @@ Kinetics 7. Diffuse Double Layer Surface-Complexation Model Su - -1.006e-10 Surface + diffuse layer charge, eq + -1.008e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -223652,7 +222492,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -223661,14 +222501,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6581e-10 + Cl 4.6579e-10 H 1.2951e-04 - Hto 1.0192e-08 + Hto 1.0191e-08 I 1.0681e-20 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5983e-08 + Nat 1.5982e-08 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -223687,7 +222527,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 8.637e-08 1.018e-08 + Hto 8.637e-08 1.017e-08 I 9.065e-08 1.068e-08 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -223699,18 +222539,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.199 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.200 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.444e-09 + Electrical balance (eq) = -2.796e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -223724,15 +222564,15 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.663e-11 - CH4 4.663e-11 5.069e-11 -10.331 -10.295 0.036 35.46 +C(-4) 4.722e-11 + CH4 4.722e-11 5.134e-11 -10.326 -10.290 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 @@ -223743,14 +222583,14 @@ Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.024e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.145e-11 - H2 1.073e-11 1.166e-11 -10.970 -10.933 0.036 28.61 +H(0) 2.152e-11 + H2 1.076e-11 1.170e-11 -10.968 -10.932 0.036 28.61 Hto 8.637e-08 Hto 8.637e-08 8.637e-08 -7.064 -7.064 0.000 (0) I 9.065e-08 @@ -223770,16 +222610,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.925e-18 2.093e-18 -17.715 -17.679 0.036 (0) Nat 2.720e-08 Nat+ 2.720e-08 2.720e-08 -7.565 -7.565 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.559 -70.522 0.036 30.40 -S(-2) 7.304e-08 - HS- 5.109e-08 3.364e-08 -7.292 -7.473 -0.182 21.14 - H2S 2.195e-08 2.386e-08 -7.659 -7.622 0.036 36.27 - S-2 2.077e-13 5.007e-14 -12.683 -13.300 -0.618 (0) - (H2S)2 2.759e-17 3.000e-17 -16.559 -16.523 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.561 -70.525 0.036 30.40 +S(-2) 7.397e-08 + HS- 5.174e-08 3.406e-08 -7.286 -7.468 -0.182 21.14 + H2S 2.222e-08 2.416e-08 -7.653 -7.617 0.036 36.27 + S-2 2.104e-13 5.071e-14 -12.677 -13.295 -0.618 (0) + (H2S)2 2.830e-17 3.076e-17 -16.548 -16.512 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -223795,7 +222634,7 @@ Sr 5.000e-04 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 - SrOH+ 1.155e-10 8.091e-11 -9.938 -10.092 -0.154 (0) + SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -223806,21 +222645,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.49 -10.30 -2.80 CH4 + CH4(g) -7.49 -10.29 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.63 -14.56 -7.94 H2S + H2S(g) -6.62 -14.56 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.63 -70.52 -2.89 O2 + O2(g) -67.63 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.72 0.16 4.88 S + Sulfur -4.72 0.17 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -223844,7 +222683,7 @@ Kinetics 8. Diffuse Double Layer Surface-Complexation Model Su - -1.006e-10 Surface + diffuse layer charge, eq + -1.008e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -223854,7 +222693,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -223863,14 +222702,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6578e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 4.3316e-09 - I 4.0490e-21 + Hto 4.3315e-09 + I 4.0499e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.8155e-09 + Nat 4.8152e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -223889,7 +222728,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.671e-08 4.325e-09 + Hto 3.671e-08 4.324e-09 I 3.437e-08 4.049e-09 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -223901,18 +222740,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.439e-09 + Electrical balance (eq) = -2.794e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -223926,33 +222765,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.820e-11 - CH4 4.820e-11 5.240e-11 -10.317 -10.281 0.036 35.46 +C(-4) 4.899e-11 + CH4 4.899e-11 5.327e-11 -10.310 -10.274 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.163e-11 - H2 1.082e-11 1.176e-11 -10.966 -10.930 0.036 28.61 +H(0) 2.172e-11 + H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 Hto 3.671e-08 Hto 3.671e-08 3.671e-08 -7.435 -7.435 0.000 (0) I 3.437e-08 @@ -223964,7 +222803,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) @@ -223972,16 +222811,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) Nat 8.194e-09 - Nat+ 8.194e-09 8.194e-09 -8.086 -8.086 -0.000 (0) + Nat+ 8.194e-09 8.194e-09 -8.087 -8.087 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.566 -70.530 0.036 30.40 -S(-2) 7.550e-08 - HS- 5.282e-08 3.477e-08 -7.277 -7.459 -0.182 21.14 - H2S 2.269e-08 2.466e-08 -7.644 -7.608 0.036 36.27 - S-2 2.147e-13 5.176e-14 -12.668 -13.286 -0.618 (0) - (H2S)2 2.948e-17 3.205e-17 -16.530 -16.494 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.569 -70.533 0.036 30.40 +S(-2) 7.675e-08 + HS- 5.369e-08 3.534e-08 -7.270 -7.452 -0.182 21.14 + H2S 2.306e-08 2.507e-08 -7.637 -7.601 0.036 36.27 + S-2 2.183e-13 5.262e-14 -12.661 -13.279 -0.618 (0) + (H2S)2 3.046e-17 3.312e-17 -16.516 -16.480 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -223990,13 +222828,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -224008,21 +222846,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.61 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -224046,7 +222884,7 @@ Kinetics 9. Diffuse Double Layer Surface-Complexation Model Su - -1.004e-10 Surface + diffuse layer charge, eq + -1.007e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -224056,7 +222894,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -224065,14 +222903,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 1.5974e-09 - I 1.3198e-21 + Hto 1.5973e-09 + I 1.3200e-21 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2066e-09 + Nat 1.2065e-09 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -224103,18 +222941,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.435e-09 + Electrical balance (eq) = -2.790e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -224128,33 +222966,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.864e-11 - CH4 4.864e-11 5.288e-11 -10.313 -10.277 0.036 35.46 +C(-4) 4.955e-11 + CH4 4.955e-11 5.387e-11 -10.305 -10.269 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.168e-11 - H2 1.084e-11 1.179e-11 -10.965 -10.929 0.036 28.61 +H(0) 2.178e-11 + H2 1.089e-11 1.184e-11 -10.963 -10.927 0.036 28.61 Hto 1.354e-08 Hto 1.354e-08 1.354e-08 -7.868 -7.868 0.000 (0) I 1.120e-08 @@ -224166,7 +223004,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) @@ -224174,16 +223012,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) Nat 2.053e-09 Nat+ 2.053e-09 2.053e-09 -8.688 -8.688 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.568 -70.531 0.036 30.40 -S(-2) 7.618e-08 - HS- 5.329e-08 3.508e-08 -7.273 -7.455 -0.182 21.14 - H2S 2.289e-08 2.489e-08 -7.640 -7.604 0.036 36.27 - S-2 2.167e-13 5.223e-14 -12.664 -13.282 -0.618 (0) - (H2S)2 3.002e-17 3.264e-17 -16.523 -16.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.572 -70.536 0.036 30.40 +S(-2) 7.761e-08 + HS- 5.429e-08 3.574e-08 -7.265 -7.447 -0.182 21.14 + H2S 2.332e-08 2.535e-08 -7.632 -7.596 0.036 36.27 + S-2 2.208e-13 5.321e-14 -12.656 -13.274 -0.618 (0) + (H2S)2 3.115e-17 3.387e-17 -16.507 -16.470 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -224192,13 +223029,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -224210,21 +223047,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.64 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -224248,7 +223085,7 @@ Kinetics 10. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -224258,7 +223095,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -224267,14 +223104,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 5.1542e-10 + Hto 5.1539e-10 I 3.7352e-22 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.5648e-10 + Nat 2.5645e-10 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -224298,25 +223135,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 4.364e-10 5.142e-11 + Nat 4.364e-10 5.141e-11 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.432e-09 + Electrical balance (eq) = -2.787e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -224330,33 +223167,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.862e-11 - CH4 4.862e-11 5.286e-11 -10.313 -10.277 0.036 35.46 +C(-4) 4.958e-11 + CH4 4.958e-11 5.391e-11 -10.305 -10.268 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.168e-11 - H2 1.084e-11 1.178e-11 -10.965 -10.929 0.036 28.61 +H(0) 2.178e-11 + H2 1.089e-11 1.184e-11 -10.963 -10.927 0.036 28.61 Hto 4.368e-09 Hto 4.368e-09 4.368e-09 -8.360 -8.360 0.000 (0) I 3.171e-09 @@ -224368,7 +223205,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) @@ -224376,16 +223213,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) Nat 4.364e-10 Nat+ 4.364e-10 4.364e-10 -9.360 -9.360 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.568 -70.531 0.036 30.40 -S(-2) 7.616e-08 - HS- 5.328e-08 3.507e-08 -7.273 -7.455 -0.182 21.14 - H2S 2.288e-08 2.488e-08 -7.641 -7.604 0.036 36.27 - S-2 2.166e-13 5.221e-14 -12.664 -13.282 -0.618 (0) - (H2S)2 3.000e-17 3.261e-17 -16.523 -16.487 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.572 -70.536 0.036 30.40 +S(-2) 7.767e-08 + HS- 5.433e-08 3.577e-08 -7.265 -7.447 -0.182 21.14 + H2S 2.333e-08 2.537e-08 -7.632 -7.596 0.036 36.27 + S-2 2.209e-13 5.325e-14 -12.656 -13.274 -0.618 (0) + (H2S)2 3.119e-17 3.392e-17 -16.506 -16.470 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -224394,13 +223230,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -224412,21 +223248,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.64 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -224450,7 +223286,7 @@ Kinetics 11. Diffuse Double Layer Surface-Complexation Model Su - -1.002e-10 Surface + diffuse layer charge, eq + -1.005e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -224460,7 +223296,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -224469,14 +223305,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6578e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 1.4667e-10 - I 9.2696e-23 + Hto 1.4666e-10 + I 9.2709e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 4.6978e-11 + Nat 4.6972e-11 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -224500,25 +223336,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 7.994e-11 9.418e-12 + Nat 7.993e-11 9.416e-12 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.914e-09 + Electrical balance (eq) = -2.271e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -224532,33 +223368,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.845e-11 - CH4 4.845e-11 5.267e-11 -10.315 -10.278 0.036 35.46 +C(-4) 4.943e-11 + CH4 4.943e-11 5.374e-11 -10.306 -10.270 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.166e-11 - H2 1.083e-11 1.177e-11 -10.965 -10.929 0.036 28.61 +H(0) 2.177e-11 + H2 1.088e-11 1.183e-11 -10.963 -10.927 0.036 28.61 Hto 1.243e-09 Hto 1.243e-09 1.243e-09 -8.906 -8.906 0.000 (0) I 7.867e-10 @@ -224578,16 +223414,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 7.994e-11 - Nat+ 7.994e-11 7.994e-11 -10.097 -10.097 -0.000 (0) +Nat 7.993e-11 + Nat+ 7.993e-11 7.993e-11 -10.097 -10.097 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.567 -70.531 0.036 30.40 -S(-2) 7.589e-08 - HS- 5.309e-08 3.495e-08 -7.275 -7.457 -0.182 21.14 - H2S 2.280e-08 2.479e-08 -7.642 -7.606 0.036 36.27 - S-2 2.159e-13 5.203e-14 -12.666 -13.284 -0.618 (0) - (H2S)2 2.979e-17 3.239e-17 -16.526 -16.490 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.571 -70.535 0.036 30.40 +S(-2) 7.743e-08 + HS- 5.416e-08 3.566e-08 -7.266 -7.448 -0.182 21.14 + H2S 2.326e-08 2.529e-08 -7.633 -7.597 0.036 36.27 + S-2 2.202e-13 5.309e-14 -12.657 -13.275 -0.618 (0) + (H2S)2 3.100e-17 3.371e-17 -16.509 -16.472 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -224596,13 +223431,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -224614,21 +223449,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -224652,7 +223487,7 @@ Kinetics 12. Diffuse Double Layer Surface-Complexation Model Su - -1.001e-10 Surface + diffuse layer charge, eq + -1.004e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -224662,7 +223497,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -224671,14 +223506,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6578e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 3.7066e-11 - I 2.0327e-23 + Hto 3.7063e-11 + I 2.0331e-23 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 7.5091e-12 + Nat 7.5078e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -224697,7 +223532,7 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 3.141e-10 3.701e-11 + Hto 3.141e-10 3.700e-11 I 1.725e-10 2.033e-11 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 @@ -224709,18 +223544,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.863e-09 + Electrical balance (eq) = -2.218e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -224734,33 +223569,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.829e-11 - CH4 4.829e-11 5.250e-11 -10.316 -10.280 0.036 35.46 +C(-4) 4.927e-11 + CH4 4.927e-11 5.357e-11 -10.307 -10.271 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.164e-11 - H2 1.082e-11 1.176e-11 -10.966 -10.929 0.036 28.61 +H(0) 2.175e-11 + H2 1.088e-11 1.182e-11 -10.964 -10.927 0.036 28.61 Hto 3.141e-10 Hto 3.141e-10 3.141e-10 -9.503 -9.503 0.000 (0) I 1.725e-10 @@ -224780,16 +223615,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) Nat 1.278e-11 Nat+ 1.278e-11 1.278e-11 -10.894 -10.894 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.566 -70.530 0.036 30.40 -S(-2) 7.564e-08 - HS- 5.291e-08 3.483e-08 -7.276 -7.458 -0.182 21.14 - H2S 2.273e-08 2.471e-08 -7.643 -7.607 0.036 36.27 - S-2 2.151e-13 5.186e-14 -12.667 -13.285 -0.618 (0) - (H2S)2 2.959e-17 3.217e-17 -16.529 -16.493 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.571 -70.534 0.036 30.40 +S(-2) 7.718e-08 + HS- 5.399e-08 3.554e-08 -7.268 -7.449 -0.182 21.14 + H2S 2.319e-08 2.521e-08 -7.635 -7.598 0.036 36.27 + S-2 2.195e-13 5.292e-14 -12.659 -13.276 -0.618 (0) + (H2S)2 3.081e-17 3.349e-17 -16.511 -16.475 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -224798,13 +223632,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -224816,21 +223650,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -224854,7 +223688,7 @@ Kinetics 13. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -224864,7 +223698,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -224873,14 +223707,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6578e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 8.3724e-12 - I 3.9695e-24 + Hto 8.3716e-12 + I 3.9687e-24 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.0582e-12 + Nat 1.0580e-12 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -224899,30 +223733,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 7.095e-11 8.359e-12 + Hto 7.095e-11 8.358e-12 I 3.369e-11 3.969e-12 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.801e-12 2.121e-13 + Nat 1.800e-12 2.121e-13 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.318e-09 + Electrical balance (eq) = -2.673e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -224936,33 +223770,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.822e-11 - CH4 4.822e-11 5.242e-11 -10.317 -10.280 0.036 35.46 +C(-4) 4.920e-11 + CH4 4.920e-11 5.350e-11 -10.308 -10.272 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 - HCl 3.947e-09 5.635e-09 -8.404 -8.249 0.155 (0) -H(0) 2.163e-11 - H2 1.082e-11 1.176e-11 -10.966 -10.930 0.036 28.61 + HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) +H(0) 2.174e-11 + H2 1.087e-11 1.182e-11 -10.964 -10.927 0.036 28.61 Hto 7.095e-11 Hto 7.095e-11 7.095e-11 -10.149 -10.149 0.000 (0) I 3.369e-11 @@ -224982,16 +223816,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.093e-18 -17.715 -17.679 0.036 (0) -Nat 1.801e-12 - Nat+ 1.801e-12 1.801e-12 -11.745 -11.745 -0.000 (0) +Nat 1.800e-12 + Nat+ 1.800e-12 1.800e-12 -11.745 -11.745 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.566 -70.530 0.036 30.40 -S(-2) 7.553e-08 - HS- 5.283e-08 3.478e-08 -7.277 -7.459 -0.182 21.14 - H2S 2.269e-08 2.467e-08 -7.644 -7.608 0.036 36.27 - S-2 2.148e-13 5.178e-14 -12.668 -13.286 -0.618 (0) - (H2S)2 2.950e-17 3.208e-17 -16.530 -16.494 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.570 -70.534 0.036 30.40 +S(-2) 7.707e-08 + HS- 5.392e-08 3.549e-08 -7.268 -7.450 -0.182 21.14 + H2S 2.316e-08 2.518e-08 -7.635 -7.599 0.036 36.27 + S-2 2.192e-13 5.284e-14 -12.659 -13.277 -0.618 (0) + (H2S)2 3.072e-17 3.340e-17 -16.513 -16.476 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -225000,13 +223833,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -225018,21 +223851,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -225056,7 +223889,7 @@ Kinetics 14. Diffuse Double Layer Surface-Complexation Model Su - -1.000e-10 Surface + diffuse layer charge, eq + -1.003e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -225066,7 +223899,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -225075,14 +223908,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6578e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 1.6996e-12 + Hto 1.6994e-12 I 6.9420e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3260e-13 + Nat 1.3257e-13 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -225113,18 +223946,18 @@ Su ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.333e-09 + Electrical balance (eq) = -2.687e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -225138,33 +223971,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.827e-11 - CH4 4.827e-11 5.248e-11 -10.316 -10.280 0.036 35.46 +C(-4) 4.926e-11 + CH4 4.926e-11 5.355e-11 -10.308 -10.271 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.164e-11 - H2 1.082e-11 1.176e-11 -10.966 -10.929 0.036 28.61 +H(0) 2.175e-11 + H2 1.087e-11 1.182e-11 -10.964 -10.927 0.036 28.61 Hto 1.440e-11 Hto 1.440e-11 1.440e-11 -10.842 -10.842 0.000 (0) I 5.892e-12 @@ -225184,16 +224017,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) Nat 2.256e-13 Nat+ 2.256e-13 2.256e-13 -12.647 -12.647 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.566 -70.530 0.036 30.40 -S(-2) 7.561e-08 - HS- 5.289e-08 3.482e-08 -7.277 -7.458 -0.182 21.14 - H2S 2.272e-08 2.470e-08 -7.644 -7.607 0.036 36.27 - S-2 2.151e-13 5.184e-14 -12.667 -13.285 -0.618 (0) - (H2S)2 2.957e-17 3.215e-17 -16.529 -16.493 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.571 -70.534 0.036 30.40 +S(-2) 7.716e-08 + HS- 5.398e-08 3.553e-08 -7.268 -7.449 -0.182 21.14 + H2S 2.318e-08 2.520e-08 -7.635 -7.599 0.036 36.27 + S-2 2.195e-13 5.290e-14 -12.659 -13.277 -0.618 (0) + (H2S)2 3.079e-17 3.347e-17 -16.512 -16.475 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -225202,13 +224034,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -225220,21 +224052,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -225258,7 +224090,7 @@ Kinetics 15. Diffuse Double Layer Surface-Complexation Model Su - -1.001e-10 Surface + diffuse layer charge, eq + -1.004e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -225268,7 +224100,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -225277,14 +224109,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6578e-10 + Cl 4.6576e-10 H 1.2951e-04 - Hto 3.1157e-13 - I 1.0938e-25 + Hto 3.1153e-13 + I 1.0939e-25 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.4876e-14 + Nat 1.4873e-14 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -225303,30 +224135,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 2.640e-12 3.111e-13 + Hto 2.640e-12 3.110e-13 I 9.284e-13 1.094e-13 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.531e-14 2.982e-15 + Nat 2.531e-14 2.981e-15 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.201 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.202 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.424e-10 + Electrical balance (eq) = -1.197e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -225340,33 +224172,33 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.844e-11 - CH4 4.844e-11 5.267e-11 -10.315 -10.278 0.036 35.46 +C(-4) 4.943e-11 + CH4 4.943e-11 5.374e-11 -10.306 -10.270 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.166e-11 - H2 1.083e-11 1.177e-11 -10.965 -10.929 0.036 28.61 +H(0) 2.177e-11 + H2 1.088e-11 1.183e-11 -10.963 -10.927 0.036 28.61 Hto 2.640e-12 Hto 2.640e-12 2.640e-12 -11.578 -11.578 0.000 (0) I 9.284e-13 @@ -225386,16 +224218,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) Nat 2.531e-14 Nat+ 2.531e-14 2.531e-14 -13.597 -13.597 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.567 -70.531 0.036 30.40 -S(-2) 7.588e-08 - HS- 5.308e-08 3.494e-08 -7.275 -7.457 -0.182 21.14 - H2S 2.280e-08 2.479e-08 -7.642 -7.606 0.036 36.27 - S-2 2.158e-13 5.202e-14 -12.666 -13.284 -0.618 (0) - (H2S)2 2.978e-17 3.238e-17 -16.526 -16.490 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.571 -70.535 0.036 30.40 +S(-2) 7.743e-08 + HS- 5.416e-08 3.566e-08 -7.266 -7.448 -0.182 21.14 + H2S 2.326e-08 2.529e-08 -7.633 -7.597 0.036 36.27 + S-2 2.202e-13 5.309e-14 -12.657 -13.275 -0.618 (0) + (H2S)2 3.100e-17 3.371e-17 -16.509 -16.472 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -225404,13 +224235,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 - CaHSO4+ 1.065e-09 7.782e-10 -8.973 -9.109 -0.136 (0) + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 + CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -225422,21 +224253,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.48 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O O2(g) -67.64 -70.53 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -225460,7 +224291,7 @@ Kinetics 16. Diffuse Double Layer Surface-Complexation Model Su - -1.002e-10 Surface + diffuse layer charge, eq + -1.005e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -225470,7 +224301,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -225479,14 +224310,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 5.1800e-14 + Hto 5.1792e-14 I 1.5597e-26 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.5031e-15 + Nat 1.5027e-15 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -225505,30 +224336,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 4.390e-13 5.172e-14 + Hto 4.389e-13 5.171e-14 I 1.324e-13 1.559e-14 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.558e-15 3.013e-16 + Nat 2.557e-15 3.012e-16 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.429e-09 + Electrical balance (eq) = -2.784e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -225542,35 +224373,35 @@ Su OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.867e-11 - CH4 4.867e-11 5.292e-11 -10.313 -10.276 0.036 35.46 +C(-4) 4.966e-11 + CH4 4.966e-11 5.399e-11 -10.304 -10.268 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.168e-11 - H2 1.084e-11 1.179e-11 -10.965 -10.929 0.036 28.61 -Hto 4.390e-13 - Hto 4.390e-13 4.390e-13 -12.358 -12.358 0.000 (0) +H(0) 2.179e-11 + H2 1.090e-11 1.185e-11 -10.963 -10.926 0.036 28.61 +Hto 4.389e-13 + Hto 4.389e-13 4.389e-13 -12.358 -12.358 0.000 (0) I 1.324e-13 I- 1.324e-13 1.324e-13 -12.878 -12.878 -0.000 (0) K 1.540e-03 @@ -225580,7 +224411,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) @@ -225588,16 +224419,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 2.558e-15 - Nat+ 2.558e-15 2.558e-15 -14.592 -14.592 -0.000 (0) +Nat 2.557e-15 + Nat+ 2.557e-15 2.557e-15 -14.592 -14.592 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.568 -70.532 0.036 30.40 -S(-2) 7.624e-08 - HS- 5.333e-08 3.511e-08 -7.273 -7.455 -0.182 21.14 - H2S 2.291e-08 2.490e-08 -7.640 -7.604 0.036 36.27 - S-2 2.168e-13 5.227e-14 -12.664 -13.282 -0.618 (0) - (H2S)2 3.006e-17 3.268e-17 -16.522 -16.486 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.572 -70.536 0.036 30.40 +S(-2) 7.779e-08 + HS- 5.442e-08 3.582e-08 -7.264 -7.446 -0.182 21.14 + H2S 2.337e-08 2.541e-08 -7.631 -7.595 0.036 36.27 + S-2 2.213e-13 5.333e-14 -12.655 -13.273 -0.618 (0) + (H2S)2 3.129e-17 3.402e-17 -16.505 -16.468 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -225606,13 +224436,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -225624,21 +224454,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.28 -2.80 CH4 + CH4(g) -7.47 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O H2(g) -7.83 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.55 -7.94 H2S + H2S(g) -6.60 -14.54 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.64 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.17 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -225662,7 +224492,7 @@ Kinetics 17. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.005e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -225672,7 +224502,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -225681,14 +224511,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 7.8387e-15 + Hto 7.8374e-15 I 2.0203e-27 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.3746e-16 + Nat 1.3741e-16 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -225707,30 +224537,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 6.643e-14 7.826e-15 + Hto 6.642e-14 7.825e-15 I 1.715e-14 2.020e-15 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.339e-16 2.756e-17 + Nat 2.338e-16 2.755e-17 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.432e-09 + Electrical balance (eq) = -2.787e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -225742,37 +224572,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.112e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.887e-11 - CH4 4.887e-11 5.313e-11 -10.311 -10.275 0.036 35.46 +C(-4) 4.986e-11 + CH4 4.986e-11 5.421e-11 -10.302 -10.266 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.812e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.171e-11 - H2 1.085e-11 1.180e-11 -10.964 -10.928 0.036 28.61 -Hto 6.643e-14 - Hto 6.643e-14 6.643e-14 -13.178 -13.178 0.000 (0) +H(0) 2.181e-11 + H2 1.091e-11 1.186e-11 -10.962 -10.926 0.036 28.61 +Hto 6.642e-14 + Hto 6.642e-14 6.642e-14 -13.178 -13.178 0.000 (0) I 1.715e-14 I- 1.715e-14 1.715e-14 -13.766 -13.766 -0.000 (0) K 1.540e-03 @@ -225782,7 +224612,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) @@ -225790,16 +224620,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 2.339e-16 - Nat+ 2.339e-16 2.339e-16 -15.631 -15.631 -0.000 (0) +Nat 2.338e-16 + Nat+ 2.338e-16 2.338e-16 -15.631 -15.631 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.569 -70.533 0.036 30.40 -S(-2) 7.655e-08 - HS- 5.355e-08 3.525e-08 -7.271 -7.453 -0.182 21.14 - H2S 2.300e-08 2.501e-08 -7.638 -7.602 0.036 36.27 - S-2 2.177e-13 5.248e-14 -12.662 -13.280 -0.618 (0) - (H2S)2 3.031e-17 3.295e-17 -16.518 -16.482 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.573 -70.537 0.036 30.40 +S(-2) 7.810e-08 + HS- 5.463e-08 3.597e-08 -7.263 -7.444 -0.182 21.14 + H2S 2.346e-08 2.551e-08 -7.630 -7.593 0.036 36.27 + S-2 2.221e-13 5.355e-14 -12.653 -13.271 -0.618 (0) + (H2S)2 3.154e-17 3.429e-17 -16.501 -16.465 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -225808,13 +224637,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.542e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -225826,21 +224655,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.27 -2.80 CH4 + CH4(g) -7.46 -10.27 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.93 -3.10 H2 + H2(g) -7.82 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.54 -7.94 H2S + H2S(g) -6.60 -14.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.64 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.18 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -225864,7 +224693,7 @@ Kinetics 18. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -225874,7 +224703,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -225883,14 +224712,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 1.0831e-15 + Hto 1.0829e-15 I 2.3858e-28 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.1424e-17 + Nat 1.1420e-17 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -225909,30 +224738,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 9.179e-15 1.081e-15 + Hto 9.178e-15 1.081e-15 I 2.025e-15 2.386e-16 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.944e-17 2.290e-18 + Nat 1.943e-17 2.289e-18 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.433e-09 + Electrical balance (eq) = -2.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -225944,37 +224773,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.112e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.899e-11 - CH4 4.899e-11 5.326e-11 -10.310 -10.274 0.036 35.46 +C(-4) 4.998e-11 + CH4 4.998e-11 5.434e-11 -10.301 -10.265 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.172e-11 - H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 -Hto 9.179e-15 - Hto 9.179e-15 9.179e-15 -14.037 -14.037 0.000 (0) +H(0) 2.183e-11 + H2 1.091e-11 1.187e-11 -10.962 -10.926 0.036 28.61 +Hto 9.178e-15 + Hto 9.178e-15 9.178e-15 -14.037 -14.037 0.000 (0) I 2.025e-15 I- 2.025e-15 2.025e-15 -14.694 -14.694 -0.000 (0) K 1.540e-03 @@ -225984,7 +224813,7 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) @@ -225992,16 +224821,15 @@ Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 1.944e-17 - Nat+ 1.944e-17 1.944e-17 -16.711 -16.711 -0.000 (0) +Nat 1.943e-17 + Nat+ 1.943e-17 1.943e-17 -16.711 -16.711 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.569 -70.533 0.036 30.40 -S(-2) 7.674e-08 - HS- 5.368e-08 3.534e-08 -7.270 -7.452 -0.182 21.14 - H2S 2.306e-08 2.507e-08 -7.637 -7.601 0.036 36.27 - S-2 2.183e-13 5.261e-14 -12.661 -13.279 -0.618 (0) - (H2S)2 3.046e-17 3.311e-17 -16.516 -16.480 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.574 -70.537 0.036 30.40 +S(-2) 7.829e-08 + HS- 5.477e-08 3.605e-08 -7.261 -7.443 -0.182 21.14 + H2S 2.352e-08 2.557e-08 -7.629 -7.592 0.036 36.27 + S-2 2.227e-13 5.368e-14 -12.652 -13.270 -0.618 (0) + (H2S)2 3.169e-17 3.446e-17 -16.499 -16.463 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -226010,13 +224838,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -226028,21 +224856,21 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.27 -2.80 CH4 + CH4(g) -7.46 -10.26 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.93 -3.10 H2 + H2(g) -7.82 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.54 -7.94 H2S + H2S(g) -6.60 -14.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.65 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 - Sulfur -4.71 0.18 4.88 S + Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl Thenardite -4.16 -4.46 -0.30 Na2SO4 @@ -226066,7 +224894,7 @@ Kinetics 19. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -226076,7 +224904,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -226085,14 +224913,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 1.3704e-16 - I 2.5770e-29 + Hto 1.3701e-16 + I 2.5767e-29 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 8.6587e-19 + Nat 8.6555e-19 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -226116,25 +224944,25 @@ Su K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.473e-18 1.736e-19 + Nat 1.473e-18 1.735e-19 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.433e-09 + Electrical balance (eq) = -2.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -226146,35 +224974,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.112e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.904e-11 - CH4 4.904e-11 5.332e-11 -10.309 -10.273 0.036 35.46 +C(-4) 5.003e-11 + CH4 5.003e-11 5.440e-11 -10.301 -10.264 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.173e-11 - H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 +H(0) 2.183e-11 + H2 1.092e-11 1.187e-11 -10.962 -10.926 0.036 28.61 Hto 1.161e-15 Hto 1.161e-15 1.161e-15 -14.935 -14.935 0.000 (0) I 2.187e-16 @@ -226186,24 +225014,23 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) Nat 1.473e-18 Nat+ 1.473e-18 1.473e-18 -17.832 -17.832 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 -S(-2) 7.682e-08 - HS- 5.374e-08 3.538e-08 -7.270 -7.451 -0.182 21.14 - H2S 2.308e-08 2.510e-08 -7.637 -7.600 0.036 36.27 - S-2 2.185e-13 5.267e-14 -12.661 -13.278 -0.618 (0) - (H2S)2 3.052e-17 3.319e-17 -16.515 -16.479 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.574 -70.538 0.036 30.40 +S(-2) 7.837e-08 + HS- 5.482e-08 3.609e-08 -7.261 -7.443 -0.182 21.14 + H2S 2.355e-08 2.560e-08 -7.628 -7.592 0.036 36.27 + S-2 2.229e-13 5.373e-14 -12.652 -13.270 -0.618 (0) + (H2S)2 3.176e-17 3.453e-17 -16.498 -16.462 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -226212,13 +225039,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -226230,19 +225057,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.27 -2.80 CH4 + CH4(g) -7.46 -10.26 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.93 -3.10 H2 + H2(g) -7.82 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.54 -7.94 H2S + H2S(g) -6.60 -14.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.65 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -226268,7 +225095,7 @@ Kinetics 20. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -226278,7 +225105,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -226287,14 +225114,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 1.5913e-17 - I 2.5511e-30 + Hto 1.5910e-17 + I 2.5519e-30 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 6.0032e-20 + Nat 6.0008e-20 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -226313,30 +225140,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.349e-16 1.589e-17 + Hto 1.348e-16 1.588e-17 I 2.166e-17 2.551e-18 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 1.022e-19 1.203e-20 + Nat 1.021e-19 1.203e-20 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.433e-09 + Electrical balance (eq) = -2.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -226348,37 +225175,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.112e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.906e-11 - CH4 4.906e-11 5.334e-11 -10.309 -10.273 0.036 35.46 +C(-4) 5.005e-11 + CH4 5.005e-11 5.442e-11 -10.301 -10.264 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.173e-11 - H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 -Hto 1.349e-16 - Hto 1.349e-16 1.349e-16 -15.870 -15.870 0.000 (0) +H(0) 2.184e-11 + H2 1.092e-11 1.187e-11 -10.962 -10.926 0.036 28.61 +Hto 1.348e-16 + Hto 1.348e-16 1.348e-16 -15.870 -15.870 0.000 (0) I 2.166e-17 I- 2.166e-17 2.166e-17 -16.664 -16.664 -0.000 (0) K 1.540e-03 @@ -226388,24 +225215,23 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 1.022e-19 - Nat+ 1.022e-19 1.022e-19 -18.991 -18.991 -0.000 (0) +Nat 1.021e-19 + Nat+ 1.021e-19 1.021e-19 -18.991 -18.991 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 -S(-2) 7.685e-08 - HS- 5.376e-08 3.539e-08 -7.270 -7.451 -0.182 21.14 - H2S 2.309e-08 2.511e-08 -7.637 -7.600 0.036 36.27 - S-2 2.186e-13 5.269e-14 -12.660 -13.278 -0.618 (0) - (H2S)2 3.055e-17 3.321e-17 -16.515 -16.479 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.574 -70.538 0.036 30.40 +S(-2) 7.840e-08 + HS- 5.485e-08 3.611e-08 -7.261 -7.442 -0.182 21.14 + H2S 2.355e-08 2.561e-08 -7.628 -7.592 0.036 36.27 + S-2 2.230e-13 5.376e-14 -12.652 -13.270 -0.618 (0) + (H2S)2 3.179e-17 3.456e-17 -16.498 -16.461 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -226414,13 +225240,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -226432,19 +225258,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.27 -2.80 CH4 + CH4(g) -7.46 -10.26 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.93 -3.10 H2 + H2(g) -7.82 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.54 -7.94 H2S + H2S(g) -6.60 -14.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.65 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -226470,7 +225296,7 @@ Kinetics 21. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -226480,7 +225306,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -226489,14 +225315,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 1.6994e-18 + Hto 1.6990e-18 I 2.3212e-31 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 3.8165e-21 + Nat 3.8149e-21 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -226515,30 +225341,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.440e-17 1.697e-18 + Hto 1.440e-17 1.696e-18 I 1.970e-18 2.321e-19 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 6.494e-21 7.651e-22 + Nat 6.492e-21 7.648e-22 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.433e-09 + Electrical balance (eq) = -2.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -226550,35 +225376,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.112e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.907e-11 - CH4 4.907e-11 5.335e-11 -10.309 -10.273 0.036 35.46 +C(-4) 5.006e-11 + CH4 5.006e-11 5.442e-11 -10.301 -10.264 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.173e-11 - H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 +H(0) 2.184e-11 + H2 1.092e-11 1.187e-11 -10.962 -10.926 0.036 28.61 Hto 1.440e-17 Hto 1.440e-17 1.440e-17 -16.842 -16.842 0.000 (0) I 1.970e-18 @@ -226590,24 +225416,23 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 6.494e-21 - Nat+ 6.494e-21 6.494e-21 -20.187 -20.187 -0.000 (0) +Nat 6.492e-21 + Nat+ 6.492e-21 6.492e-21 -20.188 -20.188 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 -S(-2) 7.686e-08 - HS- 5.377e-08 3.540e-08 -7.269 -7.451 -0.182 21.14 - H2S 2.309e-08 2.511e-08 -7.637 -7.600 0.036 36.27 - S-2 2.186e-13 5.270e-14 -12.660 -13.278 -0.618 (0) - (H2S)2 3.055e-17 3.322e-17 -16.515 -16.479 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.574 -70.538 0.036 30.40 +S(-2) 7.841e-08 + HS- 5.485e-08 3.611e-08 -7.261 -7.442 -0.182 21.14 + H2S 2.356e-08 2.561e-08 -7.628 -7.592 0.036 36.27 + S-2 2.230e-13 5.376e-14 -12.652 -13.270 -0.618 (0) + (H2S)2 3.179e-17 3.457e-17 -16.498 -16.461 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -226616,13 +225441,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -226634,19 +225459,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.27 -2.80 CH4 + CH4(g) -7.46 -10.26 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.93 -3.10 H2 + H2(g) -7.82 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.54 -7.94 H2S + H2S(g) -6.60 -14.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.65 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -226672,7 +225497,7 @@ Kinetics 22. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -226682,7 +225507,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -226691,14 +225516,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 1.6727e-19 - I 1.9446e-32 + Hto 1.6723e-19 + I 1.9443e-32 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 2.2282e-22 + Nat 2.2272e-22 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -226717,30 +225542,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.418e-18 1.670e-19 + Hto 1.417e-18 1.670e-19 I 1.650e-19 1.944e-20 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 3.792e-22 4.467e-23 + Nat 3.790e-22 4.465e-23 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.433e-09 + Electrical balance (eq) = -2.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -226752,37 +225577,37 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.112e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.907e-11 - CH4 4.907e-11 5.335e-11 -10.309 -10.273 0.036 35.46 +C(-4) 5.006e-11 + CH4 5.006e-11 5.442e-11 -10.301 -10.264 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.173e-11 - H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 -Hto 1.418e-18 - Hto 1.418e-18 1.418e-18 -17.848 -17.848 0.000 (0) +H(0) 2.184e-11 + H2 1.092e-11 1.187e-11 -10.962 -10.926 0.036 28.61 +Hto 1.417e-18 + Hto 1.417e-18 1.417e-18 -17.849 -17.849 0.000 (0) I 1.650e-19 I- 1.650e-19 1.650e-19 -18.782 -18.782 -0.000 (0) K 1.540e-03 @@ -226792,24 +225617,23 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 3.792e-22 - Nat+ 3.792e-22 3.792e-22 -21.421 -21.421 -0.000 (0) +Nat 3.790e-22 + Nat+ 3.790e-22 3.790e-22 -21.421 -21.421 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 -S(-2) 7.687e-08 - HS- 5.377e-08 3.540e-08 -7.269 -7.451 -0.182 21.14 - H2S 2.309e-08 2.511e-08 -7.636 -7.600 0.036 36.27 - S-2 2.186e-13 5.270e-14 -12.660 -13.278 -0.618 (0) - (H2S)2 3.056e-17 3.322e-17 -16.515 -16.479 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.574 -70.538 0.036 30.40 +S(-2) 7.841e-08 + HS- 5.485e-08 3.611e-08 -7.261 -7.442 -0.182 21.14 + H2S 2.356e-08 2.561e-08 -7.628 -7.592 0.036 36.27 + S-2 2.230e-13 5.376e-14 -12.652 -13.270 -0.618 (0) + (H2S)2 3.180e-17 3.457e-17 -16.498 -16.461 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -226818,13 +225642,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -226836,19 +225660,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.27 -2.80 CH4 + CH4(g) -7.46 -10.26 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.93 -3.10 H2 + H2(g) -7.82 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.54 -7.94 H2S + H2S(g) -6.60 -14.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.65 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl @@ -226874,7 +225698,7 @@ Kinetics 23. Diffuse Double Layer Surface-Complexation Model Su - -1.003e-10 Surface + diffuse layer charge, eq + -1.006e-10 Surface + diffuse layer charge, eq -3.770e-01 Surface charge, eq -3.638e-01 sigma, C/m² -1.203e-01 psi, V @@ -226884,7 +225708,7 @@ Su 1.000e+05 m² for 1.000e+00 g Water in diffuse layer: 1.180e-01 kg, 100.0% of total DDL-water. - viscosity: 0.92731 mPa s for DDL water. + viscosity: 0.92734 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. Donnan Layer potential, psi_DL = -4.125e-02 V. @@ -226893,14 +225717,14 @@ Su Element Moles C 1.6143e-04 Ca 7.1884e-02 - Cl 4.6577e-10 + Cl 4.6575e-10 H 1.2951e-04 - Hto 1.6442e-20 - I 1.6068e-33 + Hto 1.6438e-20 + I 1.6069e-33 K 8.9156e-04 Mg 4.6365e-02 Na 1.3761e-01 - Nat 1.2391e-23 + Nat 1.2386e-23 O 1.7087e-03 S 3.1372e-04 Sr 1.3747e-03 @@ -226919,30 +225743,30 @@ Su C 2.744e-03 3.233e-04 Ca 2.590e-02 3.051e-03 Cl 3.000e-01 3.535e-02 - Hto 1.393e-19 1.642e-20 + Hto 1.393e-19 1.641e-20 I 1.364e-20 1.607e-21 K 1.540e-03 1.814e-04 Mg 1.720e-02 2.026e-03 Na 2.390e-01 2.816e-02 - Nat 2.109e-23 2.484e-24 + Nat 2.108e-23 2.483e-24 S 1.260e-02 1.484e-03 Sr 5.000e-04 5.891e-05 ----------------------------Description of solution---------------------------- pH = 7.091 Charge balance - pe = -3.202 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 30194 + pe = -3.203 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 30193 Density (g/cm³) = 1.01108 Volume (L) = 0.11874 - Viscosity (mPa s) = 0.92731 + Viscosity (mPa s) = 0.92734 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.632e-01 Mass of water (kg) = 1.178e-01 Total alkalinity (eq/kg) = 2.501e-03 Total CO2 (mol/kg) = 2.744e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.433e-09 + Electrical balance (eq) = -2.788e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 (14 overall) Total H = 1.307863e+01 @@ -226954,35 +225778,35 @@ Su Species Molality Activity Molality Activity Gamma cm³/mol OH- 1.876e-07 1.235e-07 -6.727 -6.908 -0.182 -3.17 - H+ 1.046e-07 8.113e-08 -6.980 -7.091 -0.110 0.00 + H+ 1.046e-07 8.112e-08 -6.980 -7.091 -0.110 0.00 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.07 -C(-4) 4.907e-11 - CH4 4.907e-11 5.335e-11 -10.309 -10.273 0.036 35.46 +C(-4) 5.006e-11 + CH4 5.006e-11 5.443e-11 -10.301 -10.264 0.036 35.46 C(4) 2.744e-03 HCO3- 2.099e-03 1.491e-03 -2.678 -2.827 -0.149 25.45 CO2 2.599e-04 2.747e-04 -3.585 -3.561 0.024 34.43 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 - CO3-2 3.385e-06 8.617e-07 -5.470 -6.065 -0.594 -1.53 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 + CO3-2 3.386e-06 8.618e-07 -5.470 -6.065 -0.594 -1.53 KHCO3 6.681e-07 6.734e-07 -6.175 -6.172 0.003 41.03 - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 (CO2)2 1.274e-09 1.385e-09 -8.895 -8.859 0.036 68.87 Ca 2.590e-02 Ca+2 2.450e-02 6.778e-03 -1.611 -2.169 -0.558 -16.98 CaSO4 1.342e-03 1.459e-03 -2.872 -2.836 0.036 7.50 CaHCO3+ 5.386e-05 3.898e-05 -4.269 -4.409 -0.140 122.88 - CaCO3 9.025e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 + CaCO3 9.026e-06 9.813e-06 -5.045 -5.008 0.036 -14.60 CaOH+ 1.878e-08 1.373e-08 -7.726 -7.862 -0.136 (0) CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Cl 3.000e-01 Cl- 3.000e-01 2.016e-01 -0.523 -0.695 -0.173 18.60 HCl 3.947e-09 5.634e-09 -8.404 -8.249 0.155 (0) -H(0) 2.173e-11 - H2 1.086e-11 1.181e-11 -10.964 -10.928 0.036 28.61 +H(0) 2.184e-11 + H2 1.092e-11 1.187e-11 -10.962 -10.926 0.036 28.61 Hto 1.393e-19 Hto 1.393e-19 1.393e-19 -18.856 -18.856 0.000 (0) I 1.364e-20 @@ -226994,24 +225818,23 @@ K 1.540e-03 Mg 1.720e-02 Mg+2 1.576e-02 4.805e-03 -1.802 -2.318 -0.516 -20.70 MgSO4 1.288e-03 1.523e-03 -2.890 -2.817 0.073 -7.92 - MgHCO3+ 1.244e-04 8.381e-05 -3.905 -4.077 -0.172 5.77 + MgHCO3+ 1.244e-04 8.382e-05 -3.905 -4.077 -0.172 5.77 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - MgCO3 3.634e-06 3.951e-06 -5.440 -5.403 0.036 -17.09 + MgCO3 3.634e-06 3.952e-06 -5.440 -5.403 0.036 -17.09 MgOH+ 2.901e-07 2.129e-07 -6.537 -6.672 -0.134 (0) Na 2.390e-01 Na+ 2.341e-01 1.695e-01 -0.631 -0.771 -0.140 -0.75 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 NaHCO3 1.862e-04 2.201e-04 -3.730 -3.657 0.073 31.73 - NaOH 1.926e-18 2.094e-18 -17.715 -17.679 0.036 (0) -Nat 2.109e-23 - Nat+ 2.109e-23 2.109e-23 -22.676 -22.676 -0.000 (0) +Nat 2.108e-23 + Nat+ 2.108e-23 2.108e-23 -22.676 -22.676 -0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.570 -70.533 0.036 30.40 -S(-2) 7.687e-08 - HS- 5.377e-08 3.540e-08 -7.269 -7.451 -0.182 21.14 - H2S 2.309e-08 2.511e-08 -7.636 -7.600 0.036 36.27 - S-2 2.186e-13 5.270e-14 -12.660 -13.278 -0.618 (0) - (H2S)2 3.056e-17 3.322e-17 -16.515 -16.479 0.036 30.09 + O2 0.000e+00 0.000e+00 -70.574 -70.538 0.036 30.40 +S(-2) 7.841e-08 + HS- 5.485e-08 3.611e-08 -7.261 -7.442 -0.182 21.14 + H2S 2.356e-08 2.561e-08 -7.628 -7.592 0.036 36.27 + S-2 2.230e-13 5.376e-14 -12.652 -13.270 -0.618 (0) + (H2S)2 3.180e-17 3.457e-17 -16.498 -16.461 0.036 30.09 S(6) 1.260e-02 SO4-2 5.193e-03 1.211e-03 -2.285 -2.917 -0.632 32.55 NaSO4- 4.688e-03 3.340e-03 -2.329 -2.476 -0.147 3.26 @@ -227020,13 +225843,13 @@ S(6) 1.260e-02 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 KSO4- 2.237e-05 1.863e-05 -4.650 -4.730 -0.080 13.44 Mg(SO4)2-2 1.913e-05 6.073e-06 -4.718 -5.217 -0.498 28.46 - HSO4- 1.307e-08 9.549e-09 -7.884 -8.020 -0.136 40.78 + HSO4- 1.307e-08 9.548e-09 -7.884 -8.020 -0.136 40.78 CaHSO4+ 1.065e-09 7.781e-10 -8.973 -9.109 -0.136 (0) Sr 5.000e-04 Sr+2 4.677e-04 1.293e-04 -3.330 -3.888 -0.558 -16.76 SrSO4 2.807e-05 3.052e-05 -4.552 -4.515 0.036 24.24 SrHCO3+ 4.151e-06 2.949e-06 -5.382 -5.530 -0.149 (0) - SrCO3 6.543e-08 7.113e-08 -7.184 -7.148 0.036 -14.13 + SrCO3 6.543e-08 7.114e-08 -7.184 -7.148 0.036 -14.13 SrOH+ 1.155e-10 8.092e-11 -9.937 -10.092 -0.154 (0) ------------------------------Saturation indices------------------------------- @@ -227038,19 +225861,19 @@ Sr 5.000e-04 Arcanite -7.03 -8.91 -1.88 K2SO4 Calcite 0.25 -8.23 -8.48 CaCO3 Celestite -0.15 -6.81 -6.66 SrSO4 - CH4(g) -7.47 -10.27 -2.80 CH4 + CH4(g) -7.46 -10.26 -2.80 CH4 CO2(g) -2.09 -3.56 -1.47 CO2 Dolomite 0.47 -16.62 -17.08 CaMg(CO3)2 Epsomite -3.53 -5.27 -1.74 MgSO4:7H2O Gypsum -0.51 -5.09 -4.58 CaSO4:2H2O - H2(g) -7.83 -10.93 -3.10 H2 + H2(g) -7.82 -10.93 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -6.61 -14.54 -7.94 H2S + H2S(g) -6.60 -14.53 -7.94 H2S Halite -3.04 -1.47 1.57 NaCl Hexahydrite -3.70 -5.26 -1.57 MgSO4:6H2O Kieserite -4.08 -5.24 -1.16 MgSO4:H2O Mirabilite -3.26 -4.50 -1.24 Na2SO4:10H2O - O2(g) -67.64 -70.53 -2.89 O2 + O2(g) -67.65 -70.54 -2.89 O2 Strontianite -0.68 -9.95 -9.27 SrCO3 Sulfur -4.70 0.18 4.88 S Sylvite -4.59 -3.69 0.90 KCl diff --git a/mytest/opa_col2.sel b/mytest/opa_col2.sel index af5dbee06..f6b030330 100644 --- a/mytest/opa_col2.sel +++ b/mytest/opa_col2.sel @@ -1,52 +1,52 @@ time/days HTO Nat I 0.0000e+00 1.0000e+00 1.0000e+00 1.0000e+00 6.9444e+00 9.4972e-01 9.0844e-01 9.7122e-01 - 1.3889e+01 9.0733e-01 8.3120e-01 9.4678e-01 - 2.0833e+01 8.7130e-01 7.6586e-01 9.2586e-01 + 1.3889e+01 9.0733e-01 8.3121e-01 9.4678e-01 + 2.0833e+01 8.7130e-01 7.6587e-01 9.2586e-01 2.7778e+01 8.4043e-01 7.1040e-01 9.0783e-01 - 3.4722e+01 8.1375e-01 6.6315e-01 8.9214e-01 - 4.1667e+01 7.9050e-01 6.2275e-01 8.7837e-01 - 4.8611e+01 7.7007e-01 5.8806e-01 8.6620e-01 - 5.5556e+01 7.5196e-01 5.5814e-01 8.5533e-01 - 6.2500e+01 7.3579e-01 5.3221e-01 8.4556e-01 + 3.4722e+01 8.1375e-01 6.6316e-01 8.9214e-01 + 4.1667e+01 7.9050e-01 6.2276e-01 8.7837e-01 + 4.8611e+01 7.7007e-01 5.8807e-01 8.6620e-01 + 5.5556e+01 7.5196e-01 5.5815e-01 8.5533e-01 + 6.2500e+01 7.3579e-01 5.3222e-01 8.4556e-01 6.9444e+01 7.2122e-01 5.0963e-01 8.3670e-01 - 7.6389e+01 7.0801e-01 4.8985e-01 8.2861e-01 + 7.6389e+01 7.0802e-01 4.8986e-01 8.2861e-01 8.3333e+01 6.9595e-01 4.7245e-01 8.2116e-01 9.0278e+01 6.8487e-01 4.5704e-01 8.1427e-01 9.7222e+01 6.7462e-01 4.4332e-01 8.0784e-01 - 1.0417e+02 6.6510e-01 4.3103e-01 8.0183e-01 - 1.1111e+02 6.5620e-01 4.1997e-01 7.9616e-01 - 1.1806e+02 6.4786e-01 4.0995e-01 7.9081e-01 - 1.2500e+02 6.4000e-01 4.0083e-01 7.8572e-01 - 1.3194e+02 6.3257e-01 3.9248e-01 7.8088e-01 + 1.0417e+02 6.6510e-01 4.3104e-01 8.0183e-01 + 1.1111e+02 6.5620e-01 4.1998e-01 7.9616e-01 + 1.1806e+02 6.4786e-01 4.0996e-01 7.9081e-01 + 1.2500e+02 6.4000e-01 4.0084e-01 7.8572e-01 + 1.3194e+02 6.3257e-01 3.9249e-01 7.8088e-01 1.3889e+02 6.2552e-01 3.8480e-01 7.7624e-01 1.4583e+02 6.1882e-01 3.7770e-01 7.7180e-01 1.5278e+02 6.1242e-01 3.7110e-01 7.6754e-01 - 1.5972e+02 6.0631e-01 3.6494e-01 7.6342e-01 - 1.6667e+02 6.0045e-01 3.5918e-01 7.5946e-01 - 1.7361e+02 5.9483e-01 3.5375e-01 7.5562e-01 + 1.5972e+02 6.0631e-01 3.6495e-01 7.6342e-01 + 1.6667e+02 6.0046e-01 3.5918e-01 7.5946e-01 + 1.7361e+02 5.9484e-01 3.5376e-01 7.5562e-01 1.8056e+02 5.8943e-01 3.4864e-01 7.5190e-01 1.8750e+02 5.8422e-01 3.4380e-01 7.4830e-01 1.9444e+02 5.7920e-01 3.3921e-01 7.4479e-01 - 2.0139e+02 5.7435e-01 3.3483e-01 7.4139e-01 + 2.0139e+02 5.7435e-01 3.3484e-01 7.4139e-01 2.0833e+02 5.6966e-01 3.3066e-01 7.3808e-01 2.1528e+02 5.6512e-01 3.2667e-01 7.3485e-01 2.2222e+02 5.6072e-01 3.2285e-01 7.3169e-01 2.2917e+02 5.5645e-01 3.1918e-01 7.2862e-01 - 2.3611e+02 5.5231e-01 3.1565e-01 7.2562e-01 + 2.3611e+02 5.5231e-01 3.1566e-01 7.2562e-01 2.4306e+02 5.4828e-01 3.1226e-01 7.2268e-01 - 2.5000e+02 5.4436e-01 3.0898e-01 7.1981e-01 - 2.5694e+02 5.4055e-01 3.0582e-01 7.1700e-01 + 2.5000e+02 5.4436e-01 3.0899e-01 7.1981e-01 + 2.5694e+02 5.4055e-01 3.0583e-01 7.1700e-01 2.6389e+02 5.3684e-01 3.0277e-01 7.1424e-01 - 2.7083e+02 5.3322e-01 2.9981e-01 7.1154e-01 + 2.7083e+02 5.3322e-01 2.9982e-01 7.1154e-01 2.7778e+02 5.2969e-01 2.9695e-01 7.0890e-01 - 2.8472e+02 5.2625e-01 2.9417e-01 7.0630e-01 + 2.8472e+02 5.2625e-01 2.9418e-01 7.0630e-01 2.9167e+02 5.2289e-01 2.9148e-01 7.0376e-01 2.9861e+02 5.1961e-01 2.8887e-01 7.0126e-01 - 3.0556e+02 5.1640e-01 2.8632e-01 6.9880e-01 - 3.1250e+02 5.1327e-01 2.8385e-01 6.9639e-01 + 3.0556e+02 5.1640e-01 2.8633e-01 6.9880e-01 + 3.1250e+02 5.1327e-01 2.8386e-01 6.9639e-01 3.1944e+02 5.1020e-01 2.8145e-01 6.9402e-01 3.2639e+02 5.0720e-01 2.7911e-01 6.9169e-01 3.3333e+02 5.0426e-01 2.7683e-01 6.8940e-01 - 3.4028e+02 5.0138e-01 2.7461e-01 6.8715e-01 - 3.4722e+02 4.9856e-01 2.7244e-01 6.8493e-01 + 3.4028e+02 5.0139e-01 2.7461e-01 6.8715e-01 + 3.4722e+02 4.9857e-01 2.7244e-01 6.8493e-01 diff --git a/mytest/opa_col2_101.sel b/mytest/opa_col2_101.sel index 7c66bf94d..2c198dac3 100644 --- a/mytest/opa_col2_101.sel +++ b/mytest/opa_col2_101.sel @@ -1,57 +1,57 @@ Mu SC - 0.363222841108 30194.3286270759 - 0.363221826910 30194.2366151820 - 0.363222841108 30194.3286270753 - 0.363221826910 30194.2366151814 - 0.363221826910 30194.2366151814 - 0.363222841108 30194.3286270753 - 0.363222817395 30194.3247471059 - 0.363222799513 30194.3216692098 - 0.363222787725 30194.3192548349 - 0.363222776917 30194.3172087619 - 0.363222767331 30194.3154562011 - 0.363222758540 30194.3139328224 - 0.363222750360 30194.3125955227 - 0.363222742650 30194.3114096861 - 0.363222735339 30194.3103495351 - 0.363222729029 30194.3094172426 - 0.363222723055 30194.3085655619 - 0.363222717215 30194.3077749553 - 0.363222711555 30194.3070519113 - 0.363222706084 30194.3063868211 - 0.363222700810 30194.3057719183 - 0.363222695730 30194.3052005471 - 0.363222690847 30194.3046673750 - 0.363222686157 30194.3041677417 - 0.363222681653 30194.3036977156 - 0.363222677328 30194.3032542098 - 0.363222673182 30194.3028343910 - 0.363222669185 30194.3024400367 - 0.363222665381 30194.3020647428 - 0.363222661744 30194.3017062238 - 0.363222658264 30194.3013630980 - 0.363222654936 30194.3010342013 - 0.363222651755 30194.3007191078 - 0.363222648716 30194.3004169309 - 0.363222645815 30194.3001269199 - 0.363222643066 30194.2998456247 - 0.363222640438 30194.2995756776 - 0.363222637913 30194.2993156200 - 0.363222635493 30194.2990651965 - 0.363222633168 30194.2988262610 - 0.363222630955 30194.2985958539 - 0.363222628847 30194.2983733881 - 0.363222626855 30194.2981592723 - 0.363222624972 30194.2979529979 - 0.363222623191 30194.2977541334 - 0.363222621511 30194.2975624120 - 0.363222619926 30194.2973775267 - 0.363222618355 30194.2971963201 - 0.363222616897 30194.2970222759 - 0.363222615519 30194.2968547569 - 0.363222614300 30194.2966954291 - 0.363222613154 30194.2965411094 - 0.363222612097 30194.2963917842 - 0.363222611106 30194.2962472954 - 0.363222610182 30194.2961075668 - 0.363222609322 30194.2959725192 + 0.363222841108 30193.6266056236 + 0.363221826910 30193.5345937233 + 0.363222841108 30193.6266056231 + 0.363221826910 30193.5345937228 + 0.363221826910 30193.5345937227 + 0.363222841108 30193.6266056231 + 0.363222817394 30193.6227255541 + 0.363222799449 30193.6196440236 + 0.363222787619 30193.6172271698 + 0.363222776771 30193.6151787134 + 0.363222767168 30193.6134250638 + 0.363222758393 30193.6119025605 + 0.363222750250 30193.6105675052 + 0.363222742593 30193.6093848316 + 0.363222735323 30193.6083272633 + 0.363222729287 30193.6073979155 + 0.363222723285 30193.6065479057 + 0.363222717426 30193.6057590644 + 0.363222711751 30193.6050378264 + 0.363222706269 30193.6043747307 + 0.363222700986 30193.6037619382 + 0.363222695897 30193.6031927195 + 0.363222691002 30193.6026615594 + 0.363222686297 30193.6021643043 + 0.363222681779 30193.6016962524 + 0.363222677412 30193.6012592386 + 0.363222673232 30193.6008447065 + 0.363222669235 30193.6004508636 + 0.363222665417 30193.6000765387 + 0.363222661782 30193.5997207353 + 0.363222658310 30193.5993813037 + 0.363222654991 30193.5990569198 + 0.363222651820 30193.5987464772 + 0.363222648769 30193.5984482589 + 0.363222645844 30193.5981617941 + 0.363222643045 30193.5978866502 + 0.363222640364 30193.5976221070 + 0.363222637818 30193.5973652899 + 0.363222635385 30193.5971187677 + 0.363222633077 30193.5968826735 + 0.363222630875 30193.5966582956 + 0.363222628794 30193.5964426790 + 0.363222626827 30193.5962351579 + 0.363222624966 30193.5960353957 + 0.363222623205 30193.5958429853 + 0.363222621541 30193.5956575763 + 0.363222619968 30193.5954789342 + 0.363222618406 30193.5953039166 + 0.363222616955 30193.5951360853 + 0.363222615606 30193.5949748827 + 0.363222614388 30193.5948218697 + 0.363222613244 30193.5946739381 + 0.363222612190 30193.5945310775 + 0.363222611202 30193.5943931332 + 0.363222610281 30193.5942600334 + 0.363222609426 30193.5941316898 diff --git a/mytest/org_gas.out b/mytest/org_gas.out index 218140bbe..91af5dbb9 100644 --- a/mytest/org_gas.out +++ b/mytest/org_gas.out @@ -126,7 +126,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.453e-03 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99737 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89454 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.281e-03 Mass of water (kg) = 1.000e+00 @@ -260,7 +260,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 12 Density (g/cm³) = 0.99704 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89012 + Viscosity (mPa s) = 0.89034 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.030e-04 Mass of water (kg) = 1.000e+00 @@ -356,7 +356,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 24 Density (g/cm³) = 0.99704 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89018 + Viscosity (mPa s) = 0.89057 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.031e-04 Mass of water (kg) = 1.000e+00 @@ -466,7 +466,7 @@ NH3(g) -8.92 1.198e-09 0.992 0.000e+00 1.457e-12 1.457e-12 Specific Conductance (µS/cm, 25°C) = 47 Density (g/cm³) = 0.99706 Volume (L) = 1.00311 - Viscosity (mPa s) = 0.89028 + Viscosity (mPa s) = 0.89101 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.030e-04 Mass of water (kg) = 1.000e+00 @@ -576,7 +576,7 @@ NH3(g) -8.59 2.552e-09 0.992 0.000e+00 1.120e-11 1.120e-11 Specific Conductance (µS/cm, 25°C) = 93 Density (g/cm³) = 0.99709 Volume (L) = 1.00319 - Viscosity (mPa s) = 0.89046 + Viscosity (mPa s) = 0.89183 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.023e-04 Mass of water (kg) = 1.000e+00 @@ -686,7 +686,7 @@ NH3(g) -8.48 3.302e-09 0.992 0.000e+00 2.016e-11 2.016e-11 Specific Conductance (µS/cm, 25°C) = 116 Density (g/cm³) = 0.99711 Volume (L) = 1.00322 - Viscosity (mPa s) = 0.89054 + Viscosity (mPa s) = 0.89222 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.001e-03 Mass of water (kg) = 1.000e+00 @@ -796,7 +796,7 @@ NH3(g) -8.11 7.775e-09 0.992 0.000e+00 1.227e-10 1.227e-10 Specific Conductance (µS/cm, 25°C) = 226 Density (g/cm³) = 0.99719 Volume (L) = 1.00335 - Viscosity (mPa s) = 0.89094 + Viscosity (mPa s) = 0.89399 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.976e-03 Mass of water (kg) = 9.999e-01 @@ -906,7 +906,7 @@ NH3(g) -7.75 1.763e-08 0.992 0.000e+00 6.830e-10 6.830e-10 Specific Conductance (µS/cm, 25°C) = 402 Density (g/cm³) = 0.99728 Volume (L) = 1.00349 - Viscosity (mPa s) = 0.89155 + Viscosity (mPa s) = 0.89651 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.550e-03 Mass of water (kg) = 9.999e-01 @@ -1016,7 +1016,7 @@ NH3(g) -7.57 2.722e-08 0.992 0.000e+00 2.482e-09 2.482e-09 Specific Conductance (µS/cm, 25°C) = 547 Density (g/cm³) = 0.99735 Volume (L) = 1.00358 - Viscosity (mPa s) = 0.89204 + Viscosity (mPa s) = 0.89849 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.859e-03 Mass of water (kg) = 9.998e-01 @@ -1126,7 +1126,7 @@ NH3(g) -7.50 3.159e-08 0.992 0.000e+00 6.379e-09 6.379e-09 Specific Conductance (µS/cm, 25°C) = 615 Density (g/cm³) = 0.99739 Volume (L) = 1.00363 - Viscosity (mPa s) = 0.89226 + Viscosity (mPa s) = 0.89943 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.475e-03 Mass of water (kg) = 9.998e-01 @@ -1236,7 +1236,7 @@ NH3(g) -7.48 3.334e-08 0.992 0.000e+00 1.422e-08 1.422e-08 Specific Conductance (µS/cm, 25°C) = 644 Density (g/cm³) = 0.99741 Volume (L) = 1.00365 - Viscosity (mPa s) = 0.89236 + Viscosity (mPa s) = 0.89985 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.743e-03 Mass of water (kg) = 9.998e-01 @@ -1346,7 +1346,7 @@ NH3(g) -7.47 3.410e-08 0.992 0.000e+00 2.991e-08 2.991e-08 Specific Conductance (µS/cm, 25°C) = 658 Density (g/cm³) = 0.99742 Volume (L) = 1.00367 - Viscosity (mPa s) = 0.89241 + Viscosity (mPa s) = 0.90004 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.865e-03 Mass of water (kg) = 9.998e-01 @@ -1456,7 +1456,7 @@ NH3(g) -7.46 3.445e-08 0.992 0.000e+00 6.128e-08 6.128e-08 Specific Conductance (µS/cm, 25°C) = 664 Density (g/cm³) = 0.99742 Volume (L) = 1.00367 - Viscosity (mPa s) = 0.89243 + Viscosity (mPa s) = 0.90013 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.924e-03 Mass of water (kg) = 9.998e-01 @@ -1568,7 +1568,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 12 Density (g/cm³) = 0.99704 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89012 + Viscosity (mPa s) = 0.89034 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.030e-04 Mass of water (kg) = 1.000e+00 @@ -1664,7 +1664,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 24 Density (g/cm³) = 0.99704 Volume (L) = 1.00306 - Viscosity (mPa s) = 0.89018 + Viscosity (mPa s) = 0.89057 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.031e-04 Mass of water (kg) = 1.000e+00 @@ -1773,7 +1773,7 @@ NH3(g) -8.92 1.198e-09 0.992 0.000e+00 1.457e-12 1.457e-12 Specific Conductance (µS/cm, 25°C) = 47 Density (g/cm³) = 0.99706 Volume (L) = 1.00311 - Viscosity (mPa s) = 0.89028 + Viscosity (mPa s) = 0.89101 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.030e-04 Mass of water (kg) = 1.000e+00 @@ -1882,7 +1882,7 @@ NH3(g) -8.59 2.554e-09 0.992 0.000e+00 1.121e-11 1.121e-11 Specific Conductance (µS/cm, 25°C) = 93 Density (g/cm³) = 0.99709 Volume (L) = 1.00319 - Viscosity (mPa s) = 0.89046 + Viscosity (mPa s) = 0.89183 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.027e-04 Mass of water (kg) = 1.000e+00 @@ -1991,7 +1991,7 @@ NH3(g) -8.48 3.309e-09 0.992 0.000e+00 2.020e-11 2.020e-11 Specific Conductance (µS/cm, 25°C) = 116 Density (g/cm³) = 0.99711 Volume (L) = 1.00322 - Viscosity (mPa s) = 0.89054 + Viscosity (mPa s) = 0.89222 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.002e-03 Mass of water (kg) = 1.000e+00 @@ -2100,7 +2100,7 @@ NH3(g) -8.10 7.970e-09 0.992 0.000e+00 1.255e-10 1.255e-10 Specific Conductance (µS/cm, 25°C) = 229 Density (g/cm³) = 0.99719 Volume (L) = 1.00335 - Viscosity (mPa s) = 0.89095 + Viscosity (mPa s) = 0.89402 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.001e-03 Mass of water (kg) = 9.999e-01 @@ -2209,7 +2209,7 @@ NH3(g) -7.65 2.215e-08 0.992 0.000e+00 8.449e-10 8.449e-10 Specific Conductance (µS/cm, 25°C) = 451 Density (g/cm³) = 0.99730 Volume (L) = 1.00349 - Viscosity (mPa s) = 0.89171 + Viscosity (mPa s) = 0.89706 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.989e-03 Mass of water (kg) = 9.999e-01 @@ -2318,7 +2318,7 @@ NH3(g) -7.16 6.858e-08 0.992 0.000e+00 5.968e-09 5.968e-09 Specific Conductance (µS/cm, 25°C) = 875 Density (g/cm³) = 0.99746 Volume (L) = 1.00362 - Viscosity (mPa s) = 0.89314 + Viscosity (mPa s) = 0.90179 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.857e-03 Mass of water (kg) = 9.998e-01 @@ -2424,10 +2424,10 @@ NH3(g) -6.69 2.040e-07 0.992 0.000e+00 3.851e-08 3.851e-08 pH = 6.239 Charge balance pe = -3.033 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1598 + Specific Conductance (µS/cm, 25°C) = 1597 Density (g/cm³) = 0.99772 Volume (L) = 1.00376 - Viscosity (mPa s) = 0.89555 + Viscosity (mPa s) = 0.90809 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.459e-02 Mass of water (kg) = 9.995e-01 @@ -2533,10 +2533,10 @@ NH3(g) -6.32 4.824e-07 0.992 0.000e+00 1.921e-07 1.921e-07 pH = 6.417 Charge balance pe = -3.207 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2546 + Specific Conductance (µS/cm, 25°C) = 2544 Density (g/cm³) = 0.99805 Volume (L) = 1.00398 - Viscosity (mPa s) = 0.89873 + Viscosity (mPa s) = 0.91461 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.360e-02 Mass of water (kg) = 9.993e-01 @@ -2642,10 +2642,10 @@ NH3(g) -6.04 9.045e-07 0.992 0.000e+00 7.464e-07 7.464e-07 pH = 6.549 Charge balance pe = -3.337 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3564 + Specific Conductance (µS/cm, 25°C) = 3561 Density (g/cm³) = 0.99840 Volume (L) = 1.00443 - Viscosity (mPa s) = 0.90218 + Viscosity (mPa s) = 0.92045 Activity of water = 0.998 Ionic strength (mol/kgw) = 3.349e-02 Mass of water (kg) = 9.989e-01 @@ -2769,10 +2769,10 @@ NH3(g) -5.83 1.487e-06 0.992 0.000e+00 2.510e-06 2.510e-06 pH = 6.656 Charge balance pe = -3.442 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 4635 + Specific Conductance (µS/cm, 25°C) = 4631 Density (g/cm³) = 0.99875 Volume (L) = 1.00534 - Viscosity (mPa s) = 0.90585 + Viscosity (mPa s) = 0.92584 Activity of water = 0.997 Ionic strength (mol/kgw) = 4.411e-02 Mass of water (kg) = 9.986e-01 @@ -2885,7 +2885,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 467 Density (g/cm³) = 0.99737 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89529 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.385e-03 Mass of water (kg) = 1.000e+00 @@ -2988,10 +2988,10 @@ Reaction 1. pH = 6.629 Charge balance pe = -3.551 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 478 + Specific Conductance (µS/cm, 25°C) = 477 Density (g/cm³) = 0.99737 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89592 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.486e-03 Mass of water (kg) = 9.999e-01 @@ -3108,10 +3108,10 @@ NH3(g) -8.01 9.744e-09 0.992 0.000e+00 1.273e-11 1.273e-11 pH = 6.468 Charge balance pe = -3.373 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 498 + Specific Conductance (µS/cm, 25°C) = 497 Density (g/cm³) = 0.99738 Volume (L) = 1.00318 - Viscosity (mPa s) = 0.89309 + Viscosity (mPa s) = 0.89687 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.683e-03 Mass of water (kg) = 9.999e-01 @@ -3228,10 +3228,10 @@ NH3(g) -7.88 1.306e-08 0.992 0.000e+00 5.986e-11 5.986e-11 pH = 6.301 Charge balance pe = -3.177 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 537 + Specific Conductance (µS/cm, 25°C) = 535 Density (g/cm³) = 0.99742 Volume (L) = 1.00326 - Viscosity (mPa s) = 0.89317 + Viscosity (mPa s) = 0.89820 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.068e-03 Mass of water (kg) = 9.999e-01 @@ -3348,10 +3348,10 @@ NH3(g) -7.84 1.442e-08 0.992 0.000e+00 9.172e-11 9.172e-11 pH = 6.252 Charge balance pe = -3.118 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 556 + Specific Conductance (µS/cm, 25°C) = 554 Density (g/cm³) = 0.99744 Volume (L) = 1.00329 - Viscosity (mPa s) = 0.89322 + Viscosity (mPa s) = 0.89871 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.253e-03 Mass of water (kg) = 9.999e-01 @@ -3468,10 +3468,10 @@ NH3(g) -7.69 2.020e-08 0.992 0.000e+00 3.315e-10 3.315e-10 pH = 6.131 Charge balance pe = -2.969 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 641 + Specific Conductance (µS/cm, 25°C) = 638 Density (g/cm³) = 0.99750 Volume (L) = 1.00341 - Viscosity (mPa s) = 0.89344 + Viscosity (mPa s) = 0.90051 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.077e-03 Mass of water (kg) = 9.999e-01 @@ -3588,10 +3588,10 @@ NH3(g) -7.57 2.721e-08 0.992 0.000e+00 1.098e-09 1.098e-09 pH = 6.068 Charge balance pe = -2.883 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 745 + Specific Conductance (µS/cm, 25°C) = 742 Density (g/cm³) = 0.99757 Volume (L) = 1.00353 - Viscosity (mPa s) = 0.89374 + Viscosity (mPa s) = 0.90233 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-02 Mass of water (kg) = 9.999e-01 @@ -3708,10 +3708,10 @@ NH3(g) -7.50 3.162e-08 0.992 0.000e+00 2.967e-09 2.967e-09 pH = 6.038 Charge balance pe = -2.838 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 818 + Specific Conductance (µS/cm, 25°C) = 814 Density (g/cm³) = 0.99762 Volume (L) = 1.00361 - Viscosity (mPa s) = 0.89396 + Viscosity (mPa s) = 0.90355 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.079e-02 Mass of water (kg) = 9.998e-01 @@ -3828,10 +3828,10 @@ NH3(g) -7.48 3.345e-08 0.992 0.000e+00 6.859e-09 6.859e-09 pH = 6.022 Charge balance pe = -2.815 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 853 + Specific Conductance (µS/cm, 25°C) = 849 Density (g/cm³) = 0.99765 Volume (L) = 1.00365 - Viscosity (mPa s) = 0.89407 + Viscosity (mPa s) = 0.90417 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.113e-02 Mass of water (kg) = 9.998e-01 @@ -3948,10 +3948,10 @@ NH3(g) -7.47 3.419e-08 0.992 0.000e+00 1.469e-08 1.469e-08 pH = 6.015 Charge balance pe = -2.803 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 870 + Specific Conductance (µS/cm, 25°C) = 865 Density (g/cm³) = 0.99766 Volume (L) = 1.00367 - Viscosity (mPa s) = 0.89412 + Viscosity (mPa s) = 0.90446 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.129e-02 Mass of water (kg) = 9.998e-01 @@ -4068,10 +4068,10 @@ NH3(g) -7.46 3.450e-08 0.992 0.000e+00 3.037e-08 3.037e-08 pH = 6.011 Charge balance pe = -2.797 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 877 + Specific Conductance (µS/cm, 25°C) = 873 Density (g/cm³) = 0.99766 Volume (L) = 1.00369 - Viscosity (mPa s) = 0.89414 + Viscosity (mPa s) = 0.90460 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.136e-02 Mass of water (kg) = 9.998e-01 @@ -4188,10 +4188,10 @@ NH3(g) -7.46 3.465e-08 0.992 0.000e+00 6.174e-08 6.174e-08 pH = 6.009 Charge balance pe = -2.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 881 + Specific Conductance (µS/cm, 25°C) = 877 Density (g/cm³) = 0.99767 Volume (L) = 1.00369 - Viscosity (mPa s) = 0.89415 + Viscosity (mPa s) = 0.90467 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.140e-02 Mass of water (kg) = 9.998e-01 @@ -4313,7 +4313,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 467 Density (g/cm³) = 0.99737 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89529 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.385e-03 Mass of water (kg) = 1.000e+00 @@ -4416,10 +4416,10 @@ Reaction 1. pH = 6.629 Charge balance pe = -3.551 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 478 + Specific Conductance (µS/cm, 25°C) = 477 Density (g/cm³) = 0.99737 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89592 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.486e-03 Mass of water (kg) = 9.999e-01 @@ -4535,10 +4535,10 @@ NH3(g) -8.01 9.782e-09 0.992 0.000e+00 1.276e-11 1.276e-11 pH = 6.469 Charge balance pe = -3.373 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 498 + Specific Conductance (µS/cm, 25°C) = 497 Density (g/cm³) = 0.99738 Volume (L) = 1.00318 - Viscosity (mPa s) = 0.89309 + Viscosity (mPa s) = 0.89687 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.685e-03 Mass of water (kg) = 9.999e-01 @@ -4654,10 +4654,10 @@ NH3(g) -7.88 1.332e-08 0.992 0.000e+00 6.082e-11 6.082e-11 pH = 6.302 Charge balance pe = -3.179 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 538 + Specific Conductance (µS/cm, 25°C) = 537 Density (g/cm³) = 0.99742 Volume (L) = 1.00326 - Viscosity (mPa s) = 0.89317 + Viscosity (mPa s) = 0.89820 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.080e-03 Mass of water (kg) = 9.999e-01 @@ -4773,10 +4773,10 @@ NH3(g) -7.83 1.487e-08 0.992 0.000e+00 9.411e-11 9.411e-11 pH = 6.254 Charge balance pe = -3.121 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 559 + Specific Conductance (µS/cm, 25°C) = 557 Density (g/cm³) = 0.99744 Volume (L) = 1.00329 - Viscosity (mPa s) = 0.89322 + Viscosity (mPa s) = 0.89872 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.277e-03 Mass of water (kg) = 9.999e-01 @@ -4892,10 +4892,10 @@ NH3(g) -7.64 2.293e-08 0.992 0.000e+00 3.708e-10 3.708e-10 pH = 6.144 Charge balance pe = -2.983 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 660 + Specific Conductance (µS/cm, 25°C) = 657 Density (g/cm³) = 0.99751 Volume (L) = 1.00341 - Viscosity (mPa s) = 0.89349 + Viscosity (mPa s) = 0.90064 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.260e-03 Mass of water (kg) = 9.999e-01 @@ -5011,10 +5011,10 @@ NH3(g) -7.36 4.331e-08 0.992 0.000e+00 1.681e-09 1.681e-09 pH = 6.126 Charge balance pe = -2.943 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 861 + Specific Conductance (µS/cm, 25°C) = 857 Density (g/cm³) = 0.99761 Volume (L) = 1.00354 - Viscosity (mPa s) = 0.89409 + Viscosity (mPa s) = 0.90326 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.120e-02 Mass of water (kg) = 9.998e-01 @@ -5130,10 +5130,10 @@ NH3(g) -7.00 9.938e-08 0.992 0.000e+00 8.743e-09 8.743e-09 pH = 6.205 Charge balance pe = -3.007 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1247 + Specific Conductance (µS/cm, 25°C) = 1241 Density (g/cm³) = 0.99777 Volume (L) = 1.00366 - Viscosity (mPa s) = 0.89533 + Viscosity (mPa s) = 0.90701 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.491e-02 Mass of water (kg) = 9.997e-01 @@ -5249,10 +5249,10 @@ NH3(g) -6.62 2.407e-07 0.992 0.000e+00 4.578e-08 4.578e-08 pH = 6.338 Charge balance pe = -3.132 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1898 + Specific Conductance (µS/cm, 25°C) = 1891 Density (g/cm³) = 0.99801 Volume (L) = 1.00381 - Viscosity (mPa s) = 0.89749 + Viscosity (mPa s) = 0.91203 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.117e-02 Mass of water (kg) = 9.995e-01 @@ -5368,10 +5368,10 @@ NH3(g) -6.29 5.129e-07 0.992 0.000e+00 2.052e-07 2.052e-07 pH = 6.472 Charge balance pe = -3.262 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2763 + Specific Conductance (µS/cm, 25°C) = 2754 Density (g/cm³) = 0.99831 Volume (L) = 1.00404 - Viscosity (mPa s) = 0.90039 + Viscosity (mPa s) = 0.91751 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.956e-02 Mass of water (kg) = 9.992e-01 @@ -5487,10 +5487,10 @@ NH3(g) -6.03 9.256e-07 0.992 0.000e+00 7.659e-07 7.659e-07 pH = 6.585 Charge balance pe = -3.372 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3727 + Specific Conductance (µS/cm, 25°C) = 3716 Density (g/cm³) = 0.99864 Volume (L) = 1.00449 - Viscosity (mPa s) = 0.90366 + Viscosity (mPa s) = 0.92275 Activity of water = 0.998 Ionic strength (mol/kgw) = 3.902e-02 Mass of water (kg) = 9.989e-01 @@ -5606,10 +5606,10 @@ NH3(g) -5.82 1.501e-06 0.992 0.000e+00 2.538e-06 2.538e-06 pH = 6.681 Charge balance pe = -3.467 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 4767 + Specific Conductance (µS/cm, 25°C) = 4754 Density (g/cm³) = 0.99898 Volume (L) = 1.00540 - Viscosity (mPa s) = 0.90722 + Viscosity (mPa s) = 0.92781 Activity of water = 0.997 Ionic strength (mol/kgw) = 4.940e-02 Mass of water (kg) = 9.986e-01 @@ -5740,7 +5740,7 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -6.762e-04 Specific Conductance (µS/cm, 25°C) = 141 Density (g/cm³) = 0.99713 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89128 + Viscosity (mPa s) = 0.89134 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.106e-03 Mass of water (kg) = 1.000e+00 @@ -5851,10 +5851,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -1.216e-03 pH = 7.497 Charge balance pe = -4.562 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 253 + Specific Conductance (µS/cm, 25°C) = 252 Density (g/cm³) = 0.99719 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89183 + Viscosity (mPa s) = 0.89212 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.812e-03 Mass of water (kg) = 1.000e+00 @@ -5982,7 +5982,7 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.010e-03 Specific Conductance (µS/cm, 25°C) = 417 Density (g/cm³) = 0.99730 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89266 + Viscosity (mPa s) = 0.89375 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.357e-03 Mass of water (kg) = 1.000e+00 @@ -6107,10 +6107,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.984e-03 pH = 6.773 Charge balance pe = -3.705 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 627 + Specific Conductance (µS/cm, 25°C) = 625 Density (g/cm³) = 0.99745 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89368 + Viscosity (mPa s) = 0.89661 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.586e-03 Mass of water (kg) = 9.999e-01 @@ -6235,10 +6235,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -3.315e-03 pH = 6.687 Charge balance pe = -3.602 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 701 + Specific Conductance (µS/cm, 25°C) = 699 Density (g/cm³) = 0.99751 Volume (L) = 1.00319 - Viscosity (mPa s) = 0.89404 + Viscosity (mPa s) = 0.89781 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.072e-02 Mass of water (kg) = 9.999e-01 @@ -6363,10 +6363,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.996e+00 -4.311e-03 pH = 6.474 Charge balance pe = -3.339 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 938 + Specific Conductance (µS/cm, 25°C) = 934 Density (g/cm³) = 0.99769 Volume (L) = 1.00333 - Viscosity (mPa s) = 0.89512 + Viscosity (mPa s) = 0.90212 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.429e-02 Mass of water (kg) = 9.999e-01 @@ -6491,10 +6491,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.995e+00 -5.097e-03 pH = 6.338 Charge balance pe = -3.167 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1132 + Specific Conductance (µS/cm, 25°C) = 1126 Density (g/cm³) = 0.99786 Volume (L) = 1.00350 - Viscosity (mPa s) = 0.89600 + Viscosity (mPa s) = 0.90614 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.720e-02 Mass of water (kg) = 9.998e-01 @@ -6619,10 +6619,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.578e-03 pH = 6.267 Charge balance pe = -3.074 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1245 + Specific Conductance (µS/cm, 25°C) = 1236 Density (g/cm³) = 0.99797 Volume (L) = 1.00362 - Viscosity (mPa s) = 0.89652 + Viscosity (mPa s) = 0.90869 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.893e-02 Mass of water (kg) = 9.998e-01 @@ -6747,10 +6747,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.826e-03 pH = 6.235 Charge balance pe = -3.030 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1298 + Specific Conductance (µS/cm, 25°C) = 1288 Density (g/cm³) = 0.99802 Volume (L) = 1.00368 - Viscosity (mPa s) = 0.89677 + Viscosity (mPa s) = 0.90998 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.977e-02 Mass of water (kg) = 9.998e-01 @@ -6875,10 +6875,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.949e-03 pH = 6.220 Charge balance pe = -3.010 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1323 + Specific Conductance (µS/cm, 25°C) = 1312 Density (g/cm³) = 0.99805 Volume (L) = 1.00371 - Viscosity (mPa s) = 0.89689 + Viscosity (mPa s) = 0.91060 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.017e-02 Mass of water (kg) = 9.998e-01 @@ -7003,10 +7003,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -6.010e-03 pH = 6.212 Charge balance pe = -3.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1334 + Specific Conductance (µS/cm, 25°C) = 1324 Density (g/cm³) = 0.99806 Volume (L) = 1.00373 - Viscosity (mPa s) = 0.89695 + Viscosity (mPa s) = 0.91091 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.037e-02 Mass of water (kg) = 9.998e-01 @@ -7131,10 +7131,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -6.040e-03 pH = 6.209 Charge balance pe = -2.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1340 + Specific Conductance (µS/cm, 25°C) = 1330 Density (g/cm³) = 0.99807 Volume (L) = 1.00374 - Viscosity (mPa s) = 0.89698 + Viscosity (mPa s) = 0.91105 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.046e-02 Mass of water (kg) = 9.998e-01 @@ -7265,7 +7265,7 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -6.762e-04 Specific Conductance (µS/cm, 25°C) = 141 Density (g/cm³) = 0.99713 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89128 + Viscosity (mPa s) = 0.89134 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.106e-03 Mass of water (kg) = 1.000e+00 @@ -7376,10 +7376,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -1.216e-03 pH = 7.497 Charge balance pe = -4.562 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 253 + Specific Conductance (µS/cm, 25°C) = 252 Density (g/cm³) = 0.99719 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89183 + Viscosity (mPa s) = 0.89212 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.812e-03 Mass of water (kg) = 1.000e+00 @@ -7506,7 +7506,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.007e-03 Specific Conductance (µS/cm, 25°C) = 417 Density (g/cm³) = 0.99730 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89266 + Viscosity (mPa s) = 0.89374 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.355e-03 Mass of water (kg) = 1.000e+00 @@ -7630,10 +7630,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.968e-03 pH = 6.774 Charge balance pe = -3.707 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 628 + Specific Conductance (µS/cm, 25°C) = 627 Density (g/cm³) = 0.99745 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89368 + Viscosity (mPa s) = 0.89660 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.580e-03 Mass of water (kg) = 9.999e-01 @@ -7757,10 +7757,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -3.288e-03 pH = 6.690 Charge balance pe = -3.605 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 704 + Specific Conductance (µS/cm, 25°C) = 702 Density (g/cm³) = 0.99750 Volume (L) = 1.00319 - Viscosity (mPa s) = 0.89403 + Viscosity (mPa s) = 0.89780 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.072e-02 Mass of water (kg) = 9.999e-01 @@ -7884,10 +7884,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.996e+00 -4.182e-03 pH = 6.481 Charge balance pe = -3.348 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 955 + Specific Conductance (µS/cm, 25°C) = 951 Density (g/cm³) = 0.99769 Volume (L) = 1.00333 - Viscosity (mPa s) = 0.89511 + Viscosity (mPa s) = 0.90210 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.430e-02 Mass of water (kg) = 9.999e-01 @@ -8011,10 +8011,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.995e+00 -4.602e-03 pH = 6.360 Charge balance pe = -3.190 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1216 + Specific Conductance (µS/cm, 25°C) = 1210 Density (g/cm³) = 0.99786 Volume (L) = 1.00351 - Viscosity (mPa s) = 0.89604 + Viscosity (mPa s) = 0.90633 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.742e-02 Mass of water (kg) = 9.998e-01 @@ -8138,10 +8138,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.996e+00 -4.221e-03 pH = 6.328 Charge balance pe = -3.136 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1518 + Specific Conductance (µS/cm, 25°C) = 1510 Density (g/cm³) = 0.99797 Volume (L) = 1.00367 - Viscosity (mPa s) = 0.89685 + Viscosity (mPa s) = 0.90965 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.990e-02 Mass of water (kg) = 9.997e-01 @@ -8265,10 +8265,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.997e+00 -3.160e-03 pH = 6.372 Charge balance pe = -3.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1987 + Specific Conductance (µS/cm, 25°C) = 1978 Density (g/cm³) = 0.99809 Volume (L) = 1.00381 - Viscosity (mPa s) = 0.89803 + Viscosity (mPa s) = 0.91286 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.304e-02 Mass of water (kg) = 9.995e-01 @@ -8392,10 +8392,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.057e-03 pH = 6.466 Charge balance pe = -3.257 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2724 + Specific Conductance (µS/cm, 25°C) = 2716 Density (g/cm³) = 0.99827 Volume (L) = 1.00402 - Viscosity (mPa s) = 0.90012 + Viscosity (mPa s) = 0.91697 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.858e-02 Mass of water (kg) = 9.992e-01 @@ -8519,10 +8519,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.999e+00 -1.337e-03 pH = 6.570 Charge balance pe = -3.358 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3647 + Specific Conductance (µS/cm, 25°C) = 3639 Density (g/cm³) = 0.99853 Volume (L) = 1.00446 - Viscosity (mPa s) = 0.90298 + Viscosity (mPa s) = 0.92168 Activity of water = 0.998 Ionic strength (mol/kgw) = 3.649e-02 Mass of water (kg) = 9.989e-01 @@ -8646,10 +8646,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.131e-04 pH = 6.666 Charge balance pe = -3.452 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 4680 + Specific Conductance (µS/cm, 25°C) = 4672 Density (g/cm³) = 0.99883 Volume (L) = 1.00536 - Viscosity (mPa s) = 0.90636 + Viscosity (mPa s) = 0.92656 Activity of water = 0.997 Ionic strength (mol/kgw) = 4.607e-02 Mass of water (kg) = 9.986e-01 @@ -8777,10 +8777,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -2.745e-04 pH = 6.879 Charge balance pe = -3.791 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 516 + Specific Conductance (µS/cm, 25°C) = 515 Density (g/cm³) = 0.99740 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89330 + Viscosity (mPa s) = 0.89532 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.189e-03 Mass of water (kg) = 9.999e-01 @@ -8891,10 +8891,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.999e+00 -5.176e-04 pH = 6.807 Charge balance pe = -3.742 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 569 + Specific Conductance (µS/cm, 25°C) = 568 Density (g/cm³) = 0.99743 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89355 + Viscosity (mPa s) = 0.89609 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.003e-03 Mass of water (kg) = 9.999e-01 @@ -9019,10 +9019,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.041e-04 pH = 6.704 Charge balance pe = -3.624 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 656 + Specific Conductance (µS/cm, 25°C) = 655 Density (g/cm³) = 0.99749 Volume (L) = 1.00317 - Viscosity (mPa s) = 0.89396 + Viscosity (mPa s) = 0.89744 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.033e-02 Mass of water (kg) = 9.999e-01 @@ -9147,10 +9147,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -1.457e-03 pH = 6.574 Charge balance pe = -3.466 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 789 + Specific Conductance (µS/cm, 25°C) = 786 Density (g/cm³) = 0.99759 Volume (L) = 1.00324 - Viscosity (mPa s) = 0.89455 + Viscosity (mPa s) = 0.89968 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-02 Mass of water (kg) = 9.999e-01 @@ -9275,10 +9275,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.664e-03 pH = 6.530 Charge balance pe = -3.411 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 841 + Specific Conductance (µS/cm, 25°C) = 838 Density (g/cm³) = 0.99763 Volume (L) = 1.00327 - Viscosity (mPa s) = 0.89478 + Viscosity (mPa s) = 0.90062 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.309e-02 Mass of water (kg) = 9.999e-01 @@ -9403,10 +9403,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.325e-03 pH = 6.401 Charge balance pe = -3.249 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1018 + Specific Conductance (µS/cm, 25°C) = 1013 Density (g/cm³) = 0.99777 Volume (L) = 1.00340 - Viscosity (mPa s) = 0.89555 + Viscosity (mPa s) = 0.90399 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.566e-02 Mass of water (kg) = 9.999e-01 @@ -9531,10 +9531,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.879e-03 pH = 6.307 Charge balance pe = -3.128 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1170 + Specific Conductance (µS/cm, 25°C) = 1163 Density (g/cm³) = 0.99790 Volume (L) = 1.00354 - Viscosity (mPa s) = 0.89620 + Viscosity (mPa s) = 0.90713 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.787e-02 Mass of water (kg) = 9.998e-01 @@ -9659,10 +9659,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.997e+00 -3.233e-03 pH = 6.255 Charge balance pe = -3.058 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1261 + Specific Conductance (µS/cm, 25°C) = 1252 Density (g/cm³) = 0.99799 Volume (L) = 1.00364 - Viscosity (mPa s) = 0.89661 + Viscosity (mPa s) = 0.90914 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.922e-02 Mass of water (kg) = 9.998e-01 @@ -9787,10 +9787,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.997e+00 -3.424e-03 pH = 6.229 Charge balance pe = -3.023 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1305 + Specific Conductance (µS/cm, 25°C) = 1295 Density (g/cm³) = 0.99803 Volume (L) = 1.00369 - Viscosity (mPa s) = 0.89681 + Viscosity (mPa s) = 0.91019 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.990e-02 Mass of water (kg) = 9.998e-01 @@ -9915,10 +9915,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.996e+00 -3.520e-03 pH = 6.217 Charge balance pe = -3.006 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1326 + Specific Conductance (µS/cm, 25°C) = 1315 Density (g/cm³) = 0.99805 Volume (L) = 1.00372 - Viscosity (mPa s) = 0.89691 + Viscosity (mPa s) = 0.91070 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.023e-02 Mass of water (kg) = 9.998e-01 @@ -10043,10 +10043,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.996e+00 -3.569e-03 pH = 6.211 Charge balance pe = -2.998 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1336 + Specific Conductance (µS/cm, 25°C) = 1325 Density (g/cm³) = 0.99806 Volume (L) = 1.00373 - Viscosity (mPa s) = 0.89696 + Viscosity (mPa s) = 0.91095 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.040e-02 Mass of water (kg) = 9.998e-01 @@ -10171,10 +10171,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.996e+00 -3.593e-03 pH = 6.208 Charge balance pe = -2.994 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1341 + Specific Conductance (µS/cm, 25°C) = 1330 Density (g/cm³) = 0.99807 Volume (L) = 1.00374 - Viscosity (mPa s) = 0.89698 + Viscosity (mPa s) = 0.91108 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.048e-02 Mass of water (kg) = 9.998e-01 @@ -10302,10 +10302,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -2.745e-04 pH = 6.879 Charge balance pe = -3.791 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 516 + Specific Conductance (µS/cm, 25°C) = 515 Density (g/cm³) = 0.99740 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89330 + Viscosity (mPa s) = 0.89532 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.189e-03 Mass of water (kg) = 9.999e-01 @@ -10416,10 +10416,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.999e+00 -5.176e-04 pH = 6.807 Charge balance pe = -3.742 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 569 + Specific Conductance (µS/cm, 25°C) = 568 Density (g/cm³) = 0.99743 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89355 + Viscosity (mPa s) = 0.89609 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.003e-03 Mass of water (kg) = 9.999e-01 @@ -10543,10 +10543,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.029e-04 pH = 6.704 Charge balance pe = -3.625 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 656 + Specific Conductance (µS/cm, 25°C) = 655 Density (g/cm³) = 0.99749 Volume (L) = 1.00317 - Viscosity (mPa s) = 0.89396 + Viscosity (mPa s) = 0.89744 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.033e-02 Mass of water (kg) = 9.999e-01 @@ -10670,10 +10670,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -1.446e-03 pH = 6.575 Charge balance pe = -3.467 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 790 + Specific Conductance (µS/cm, 25°C) = 787 Density (g/cm³) = 0.99759 Volume (L) = 1.00324 - Viscosity (mPa s) = 0.89455 + Viscosity (mPa s) = 0.89968 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.232e-02 Mass of water (kg) = 9.999e-01 @@ -10797,10 +10797,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.643e-03 pH = 6.532 Charge balance pe = -3.413 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 843 + Specific Conductance (µS/cm, 25°C) = 840 Density (g/cm³) = 0.99763 Volume (L) = 1.00327 - Viscosity (mPa s) = 0.89478 + Viscosity (mPa s) = 0.90061 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.309e-02 Mass of water (kg) = 9.999e-01 @@ -10924,10 +10924,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.203e-03 pH = 6.407 Charge balance pe = -3.256 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1035 + Specific Conductance (µS/cm, 25°C) = 1030 Density (g/cm³) = 0.99777 Volume (L) = 1.00341 - Viscosity (mPa s) = 0.89554 + Viscosity (mPa s) = 0.90399 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.569e-02 Mass of water (kg) = 9.999e-01 @@ -11051,10 +11051,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.382e-03 pH = 6.328 Charge balance pe = -3.150 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1255 + Specific Conductance (µS/cm, 25°C) = 1248 Density (g/cm³) = 0.99790 Volume (L) = 1.00356 - Viscosity (mPa s) = 0.89625 + Viscosity (mPa s) = 0.90735 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.810e-02 Mass of water (kg) = 9.998e-01 @@ -11178,10 +11178,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.867e-03 pH = 6.314 Charge balance pe = -3.118 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1534 + Specific Conductance (µS/cm, 25°C) = 1526 Density (g/cm³) = 0.99799 Volume (L) = 1.00369 - Viscosity (mPa s) = 0.89694 + Viscosity (mPa s) = 0.91012 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.019e-02 Mass of water (kg) = 9.997e-01 @@ -11305,10 +11305,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.999e+00 -7.460e-04 pH = 6.366 Charge balance pe = -3.160 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1994 + Specific Conductance (µS/cm, 25°C) = 1985 Density (g/cm³) = 0.99809 Volume (L) = 1.00382 - Viscosity (mPa s) = 0.89807 + Viscosity (mPa s) = 0.91308 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.316e-02 Mass of water (kg) = 9.995e-01 @@ -11432,10 +11432,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 3.830e-04 pH = 6.463 Charge balance pe = -3.253 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2727 + Specific Conductance (µS/cm, 25°C) = 2719 Density (g/cm³) = 0.99827 Volume (L) = 1.00403 - Viscosity (mPa s) = 0.90013 + Viscosity (mPa s) = 0.91708 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.863e-02 Mass of water (kg) = 9.992e-01 @@ -11559,10 +11559,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 1.111e-03 pH = 6.568 Charge balance pe = -3.356 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3649 + Specific Conductance (µS/cm, 25°C) = 3641 Density (g/cm³) = 0.99853 Volume (L) = 1.00446 - Viscosity (mPa s) = 0.90299 + Viscosity (mPa s) = 0.92174 Activity of water = 0.998 Ionic strength (mol/kgw) = 3.651e-02 Mass of water (kg) = 9.989e-01 @@ -11686,10 +11686,10 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 1.538e-03 pH = 6.665 Charge balance pe = -3.451 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 4681 + Specific Conductance (µS/cm, 25°C) = 4673 Density (g/cm³) = 0.99883 Volume (L) = 1.00536 - Viscosity (mPa s) = 0.90636 + Viscosity (mPa s) = 0.92660 Activity of water = 0.997 Ionic strength (mol/kgw) = 4.608e-02 Mass of water (kg) = 9.986e-01 diff --git a/mytest/org_gas_101.sel b/mytest/org_gas_101.sel index 878c439a2..c15e14d7f 100644 --- a/mytest/org_gas_101.sel +++ b/mytest/org_gas_101.sel @@ -1,99 +1,99 @@ Mu SC 0.000000100661 0.0546997340 - 0.007281181403 457.6528671039 - 0.000103009022 12.8900984472 - 0.000203071207 24.5583764168 - 0.000402976646 47.6940627266 - 0.000802281858 93.5447214261 - 0.001001392429 116.2793422076 - 0.001976162676 226.6991610484 - 0.003549508407 402.7333379734 - 0.004858971479 547.7236637195 - 0.005474961679 615.5281412304 - 0.005742880817 644.9442516179 - 0.005865367038 658.3777444449 - 0.005923706585 664.7727816254 - 0.000103009022 12.8900984388 - 0.000203071207 24.5583764168 - 0.000402991468 47.6957420981 - 0.000802685440 93.5905406098 - 0.001002493221 116.4041696848 - 0.002000874852 229.4788337512 - 0.003988950509 451.5229237800 - 0.007857348612 875.9425423406 - 0.014586867934 1598.6643896986 - 0.023603454514 2546.0013842705 - 0.033493487121 3564.3309159167 - 0.044109413722 4635.7660478173 - 0.007384628910 467.9510711852 - 0.007485506562 478.1222324802 - 0.007683288687 498.2459139085 - 0.008067539407 537.5465585423 - 0.008252990184 556.5657569901 - 0.009076564271 641.3024178574 - 0.010088214948 745.8261508344 - 0.010787277943 818.2339588831 - 0.011128985079 853.6595396247 - 0.011286747153 870.0191026015 - 0.011361294491 877.7499622243 - 0.011397390409 881.4933112839 - 0.007384628910 467.9510711853 - 0.007485506562 478.1222324802 - 0.007684653659 498.3858303699 - 0.008080242885 538.8518066404 - 0.008277490802 559.0858745285 - 0.009260040057 660.2576559454 - 0.011201179627 861.3482091544 - 0.014906722817 1247.0461510978 - 0.021170283107 1898.3672717657 - 0.029558143838 2763.6043087565 - 0.039020299475 3727.4855041727 - 0.049395363451 4767.5647946280 - 0.002106178316 141.6258445953 - 0.003812439203 253.0445917443 - 0.006356791828 417.6338112075 - 0.009586373132 627.0858311108 - 0.010724609291 701.5977563289 - 0.014287510515 938.0119744464 - 0.017203855373 1132.8741490831 - 0.018926509055 1245.2438306540 - 0.019770578326 1298.4522248397 - 0.020171969321 1323.1450808814 - 0.020365745859 1334.9018350072 - 0.020460729954 1340.6228402296 - 0.002106178316 141.6258446137 - 0.003812439203 253.0445917443 - 0.006354860750 417.7413364595 - 0.009579700221 628.3679689546 - 0.010716676340 704.1249144357 - 0.014300497620 955.3537682091 - 0.017417597288 1216.7935987351 - 0.019899992735 1518.3504929655 - 0.023036428131 1987.4202005455 - 0.028578855967 2724.2518843080 - 0.036489860357 3647.5926287494 - 0.046065922880 4680.4726707160 - 0.008189210228 516.4970448207 - 0.009003393927 569.4071610454 - 0.010332729212 656.6955720386 - 0.012316998923 789.0668528126 - 0.013087797454 841.2240811582 - 0.015661326192 1018.0814389777 - 0.017873022813 1170.6715671470 - 0.019219888930 1261.0497363946 - 0.019901400167 1305.2381331841 - 0.020232989826 1326.2389060416 - 0.020395133234 1336.3735520399 - 0.020475141574 1341.3399762562 - 0.008189210228 516.4970448204 - 0.009003393927 569.4071610454 - 0.010332348359 656.7959468265 - 0.012315062163 790.2577457054 - 0.013085886436 843.6356178431 - 0.015685518443 1035.6655652430 - 0.018099295240 1255.7566046508 - 0.020193848544 1534.8757351695 - 0.023156056381 1994.1162197801 - 0.028628818520 2727.3525849218 - 0.036514299742 3649.3986124861 - 0.046079393427 4681.5934008261 + 0.007281181403 457.1968451314 + 0.000103009022 12.8893792257 + 0.000203071207 24.5568324821 + 0.000402976646 47.6903966840 + 0.000802281858 93.5350398483 + 0.001001392429 116.2658279680 + 0.001976162676 226.6597089448 + 0.003549508407 402.6295238828 + 0.004858971479 547.5455724180 + 0.005474961679 615.3076784708 + 0.005742880817 644.7035721780 + 0.005865367038 658.1274109783 + 0.005923706585 664.5177523363 + 0.000103009022 12.8893792173 + 0.000203071207 24.5568324821 + 0.000402991468 47.6920759901 + 0.000802685440 93.5808548208 + 0.001002493221 116.3906408089 + 0.002000874852 229.4387381665 + 0.003988950509 451.3996099335 + 0.007857348612 875.5734491593 + 0.014586867934 1597.7073125102 + 0.023603454514 2544.0909480470 + 0.033493487121 3561.2755630197 + 0.044109413722 4631.4423366731 + 0.007384628910 467.2680373797 + 0.007485506562 477.2434699075 + 0.007683288687 497.0647587239 + 0.008067539407 535.9232179514 + 0.008252990184 554.7652666717 + 0.009076564271 638.8413881235 + 0.010088214948 742.6569212163 + 0.010787277943 814.5742923889 + 0.011128985079 849.7475160781 + 0.011286747153 865.9856298924 + 0.011361294491 873.6576800248 + 0.011397390409 877.3721781974 + 0.007384628910 467.2680373798 + 0.007485506562 477.2434699075 + 0.007684653659 497.2045469556 + 0.008080242885 537.2259995929 + 0.008277490802 557.2798084164 + 0.009260040057 657.7389317907 + 0.011201179627 857.7814152452 + 0.014906722817 1241.9266523669 + 0.021170283107 1891.2150068398 + 0.029558143838 2754.3559174992 + 0.039020299475 3716.3649241070 + 0.049395363451 4754.7573141885 + 0.002106178316 141.6199777283 + 0.003812439203 252.9979358217 + 0.006356791828 417.3507304921 + 0.009586373132 625.9658344600 + 0.010724609291 699.9956229864 + 0.014287510515 934.1708613648 + 0.017203855373 1126.3195079185 + 0.018926509055 1236.6892183080 + 0.019770578326 1288.8031547287 + 0.020171969321 1312.9479616938 + 0.020365745859 1324.4336272041 + 0.020460729954 1330.0201861859 + 0.002106178316 141.6199777467 + 0.003812439203 252.9979358217 + 0.006354860750 417.4586028384 + 0.009579700221 627.2520796202 + 0.010716676340 702.5303000393 + 0.014300497620 951.5439224399 + 0.017417597288 1210.3119100469 + 0.019899992735 1510.0537616227 + 0.023036428131 1978.7279723725 + 0.028578855967 2716.1452237624 + 0.036489860357 3639.9880069152 + 0.046065922880 4672.8487437596 + 0.008189210228 515.8197806128 + 0.009003393927 568.4813496440 + 0.010332729212 655.2533923134 + 0.012316998923 786.5785678692 + 0.013087797454 838.2360305120 + 0.015661326192 1013.0326311165 + 0.017873022813 1163.3543954994 + 0.019219888930 1252.1122283490 + 0.019901400167 1295.4070246408 + 0.020232989826 1315.9542748590 + 0.020395133234 1325.8625818419 + 0.020475141574 1330.7162017627 + 0.008189210228 515.8197806125 + 0.009003393927 568.4813496440 + 0.010332348359 655.3540336796 + 0.012315062163 787.7724114616 + 0.013085886436 840.6529124005 + 0.015685518443 1030.6376252737 + 0.018099295240 1248.4909518060 + 0.020193848544 1526.1800299831 + 0.023156056381 1985.2379786659 + 0.028628818520 2719.1639387126 + 0.036514299742 3641.7582126062 + 0.046079393427 4673.9528792858 diff --git a/mytest/osmotic.out b/mytest/osmotic.out index 23f1249eb..8358c6054 100644 --- a/mytest/osmotic.out +++ b/mytest/osmotic.out @@ -174,7 +174,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.090 -40.080 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.510e-19 7.685e-19 -18.124 -18.114 0.010 (0) O(0) 1.168e-12 O2 5.842e-13 5.978e-13 -12.233 -12.223 0.010 30.40 @@ -229,7 +228,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.281e-09 + Electrical balance (eq) = -1.286e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -250,9 +249,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.093 -40.073 0.020 28.61 Na 2.000e-01 Na+ 2.000e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.376e-18 1.441e-18 -17.861 -17.841 0.020 (0) -O(0) 1.099e-12 - O2 5.493e-13 5.752e-13 -12.260 -12.240 0.020 30.40 +O(0) 1.100e-12 + O2 5.498e-13 5.757e-13 -12.260 -12.240 0.020 30.40 ------------------------------Saturation indices------------------------------- @@ -305,7 +303,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.744e-09 + Electrical balance (eq) = -1.723e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -326,9 +324,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.099 -40.069 0.030 28.61 Na 3.000e-01 Na+ 3.000e-01 2.191e-01 -0.523 -0.659 -0.136 -0.81 - NaOH 1.947e-18 2.086e-18 -17.711 -17.681 0.030 (0) O(0) 1.049e-12 - O2 5.247e-13 5.623e-13 -12.280 -12.250 0.030 30.40 + O2 5.244e-13 5.619e-13 -12.280 -12.250 0.030 30.40 ------------------------------Saturation indices------------------------------- @@ -371,7 +368,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.975 Charge balance - pe = 11.484 Adjusted to redox equilibrium + pe = 11.483 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 37919 Density (g/cm³) = 1.01312 Volume (L) = 1.01013 @@ -381,7 +378,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.631e-09 + Electrical balance (eq) = -3.245e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -399,12 +396,11 @@ Cl 4.000e-01 Cl- 4.000e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 HCl 6.558e-09 9.705e-09 -8.183 -8.013 0.170 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.108 -40.068 0.040 28.61 + H2 0.000e+00 0.000e+00 -40.107 -40.067 0.040 28.61 Na 4.000e-01 Na+ 4.000e-01 2.886e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.482e-18 2.721e-18 -17.605 -17.565 0.040 (0) -O(0) 1.011e-12 - O2 5.053e-13 5.541e-13 -12.296 -12.256 0.040 30.40 +O(0) 1.008e-12 + O2 5.038e-13 5.524e-13 -12.298 -12.258 0.040 30.40 ------------------------------Saturation indices------------------------------- @@ -413,7 +409,7 @@ O(0) 1.011e-12 H2(g) -36.97 -40.07 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.68 -1.11 1.57 NaCl - O2(g) -9.36 -12.26 -2.89 O2 + O2(g) -9.37 -12.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -474,13 +470,12 @@ Reaction 1. Cl 5.000e-01 Cl- 5.000e-01 3.249e-01 -0.301 -0.488 -0.187 18.69 HCl 7.300e-09 1.192e-08 -8.137 -7.924 0.213 (0) -H(0) 2.524e-40 +H(0) 2.523e-40 H2 1.262e-40 1.416e-40 -39.899 -39.849 0.050 28.61 Na 5.000e-01 Na+ 5.000e-01 3.588e-01 -0.301 -0.445 -0.144 -0.63 - NaOH 2.989e-18 3.353e-18 -17.525 -17.475 0.050 (0) -O(0) 3.581e-13 - O2 1.790e-13 2.009e-13 -12.747 -12.697 0.050 30.40 +O(0) 3.583e-13 + O2 1.792e-13 2.010e-13 -12.747 -12.697 0.050 30.40 ------------------------------Saturation indices------------------------------- @@ -554,9 +549,8 @@ H(0) 2.472e-40 H2 1.236e-40 1.419e-40 -39.908 -39.848 0.060 28.61 Na 6.000e-01 Na+ 6.000e-01 4.300e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.473e-18 3.988e-18 -17.459 -17.399 0.060 (0) -O(0) 3.461e-13 - O2 1.730e-13 1.987e-13 -12.762 -12.702 0.060 30.40 +O(0) 3.460e-13 + O2 1.730e-13 1.986e-13 -12.762 -12.702 0.060 30.40 ------------------------------Saturation indices------------------------------- @@ -599,7 +593,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.969 Charge balance - pe = 11.383 Adjusted to redox equilibrium + pe = 11.384 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 62199 Density (g/cm³) = 1.02473 Volume (L) = 1.01579 @@ -609,7 +603,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.344e-09 + Electrical balance (eq) = -1.384e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -626,19 +620,18 @@ Reaction 1. Cl 7.000e-01 Cl- 7.000e-01 4.399e-01 -0.155 -0.357 -0.202 18.80 HCl 8.193e-09 1.627e-08 -8.087 -7.789 0.298 (0) -H(0) 2.381e-40 - H2 1.190e-40 1.399e-40 -39.924 -39.854 0.070 28.61 +H(0) 2.375e-40 + H2 1.187e-40 1.395e-40 -39.925 -39.855 0.070 28.61 Na 7.000e-01 Na+ 7.000e-01 5.027e-01 -0.155 -0.299 -0.144 -0.49 - NaOH 3.938e-18 4.627e-18 -17.405 -17.335 0.070 (0) -O(0) 3.457e-13 - O2 1.729e-13 2.031e-13 -12.762 -12.692 0.070 30.40 +O(0) 3.475e-13 + O2 1.738e-13 2.042e-13 -12.760 -12.690 0.070 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.75 -39.85 -3.10 H2 + H2(g) -36.75 -39.86 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.23 -0.66 1.57 NaCl O2(g) -9.80 -12.69 -2.89 O2 @@ -675,7 +668,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.968 Charge balance - pe = 11.384 Adjusted to redox equilibrium + pe = 11.383 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 69794 Density (g/cm³) = 1.02854 Volume (L) = 1.01771 @@ -685,7 +678,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.225e-09 + Electrical balance (eq) = -1.222e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -702,13 +695,12 @@ Reaction 1. Cl 8.000e-01 Cl- 8.000e-01 4.965e-01 -0.097 -0.304 -0.207 18.85 HCl 8.415e-09 1.843e-08 -8.075 -7.734 0.340 (0) -H(0) 2.334e-40 - H2 1.167e-40 1.403e-40 -39.933 -39.853 0.080 28.61 +H(0) 2.342e-40 + H2 1.171e-40 1.408e-40 -39.931 -39.851 0.080 28.61 Na 8.000e-01 Na+ 8.000e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.386e-18 5.273e-18 -17.358 -17.278 0.080 (0) -O(0) 3.335e-13 - O2 1.668e-13 2.005e-13 -12.778 -12.698 0.080 30.40 +O(0) 3.310e-13 + O2 1.655e-13 1.990e-13 -12.781 -12.701 0.080 30.40 ------------------------------Saturation indices------------------------------- @@ -778,13 +770,12 @@ Reaction 1. Cl 9.000e-01 Cl- 9.000e-01 5.527e-01 -0.046 -0.257 -0.212 18.90 HCl 8.522e-09 2.059e-08 -8.069 -7.686 0.383 (0) -H(0) 2.291e-40 - H2 1.146e-40 1.409e-40 -39.941 -39.851 0.090 28.61 +H(0) 2.296e-40 + H2 1.148e-40 1.412e-40 -39.940 -39.850 0.090 28.61 Na 9.000e-01 Na+ 9.000e-01 6.532e-01 -0.046 -0.185 -0.139 -0.36 - NaOH 4.818e-18 5.928e-18 -17.317 -17.227 0.090 (0) -O(0) 3.206e-13 - O2 1.603e-13 1.972e-13 -12.795 -12.705 0.090 30.40 +O(0) 3.193e-13 + O2 1.596e-13 1.964e-13 -12.797 -12.707 0.090 30.40 ------------------------------Saturation indices------------------------------- @@ -827,7 +818,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.965 Charge balance - pe = 11.384 Adjusted to redox equilibrium + pe = 11.385 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 84318 Density (g/cm³) = 1.03606 Volume (L) = 1.02160 @@ -854,13 +845,12 @@ Reaction 1. Cl 1.000e+00 Cl- 1.000e+00 6.087e-01 -0.000 -0.216 -0.216 18.94 HCl 8.534e-09 2.274e-08 -8.069 -7.643 0.426 (0) -H(0) 2.256e-40 - H2 1.128e-40 1.420e-40 -39.948 -39.848 0.100 28.61 +H(0) 2.248e-40 + H2 1.124e-40 1.415e-40 -39.949 -39.849 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.237e-18 6.593e-18 -17.281 -17.181 0.100 (0) -O(0) 3.064e-13 - O2 1.532e-13 1.929e-13 -12.815 -12.715 0.100 30.40 +O(0) 3.086e-13 + O2 1.543e-13 1.942e-13 -12.812 -12.712 0.100 30.40 ------------------------------Saturation indices------------------------------- @@ -903,7 +893,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.963 Charge balance - pe = 11.384 Adjusted to redox equilibrium + pe = 11.385 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 91265 Density (g/cm³) = 1.03978 Volume (L) = 1.02357 @@ -930,19 +920,18 @@ Reaction 1. Cl 1.100e+00 Cl- 1.100e+00 6.644e-01 0.041 -0.178 -0.219 18.99 HCl 8.471e-09 2.489e-08 -8.072 -7.604 0.468 (0) -H(0) 2.221e-40 - H2 1.110e-40 1.430e-40 -39.955 -39.845 0.110 28.61 +H(0) 2.208e-40 + H2 1.104e-40 1.422e-40 -39.957 -39.847 0.110 28.61 Na 1.100e+00 Na+ 1.100e+00 8.114e-01 0.041 -0.091 -0.132 -0.25 - NaOH 5.642e-18 7.268e-18 -17.249 -17.139 0.110 (0) -O(0) 2.931e-13 - O2 1.466e-13 1.888e-13 -12.834 -12.724 0.110 30.40 +O(0) 2.964e-13 + O2 1.482e-13 1.909e-13 -12.829 -12.719 0.110 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.74 -39.84 -3.10 H2 + H2(g) -36.75 -39.85 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.84 -0.27 1.57 NaCl O2(g) -9.83 -12.72 -2.89 O2 @@ -979,7 +968,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.962 Charge balance - pe = 11.494 Adjusted to redox equilibrium + pe = 11.493 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 98011 Density (g/cm³) = 1.04347 Volume (L) = 1.02555 @@ -989,7 +978,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.901e-09 + Electrical balance (eq) = -2.621e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1007,12 +996,11 @@ Cl 1.200e+00 Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 HCl 8.346e-09 2.705e-08 -8.079 -7.568 0.511 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.182 -40.062 0.120 28.61 + H2 0.000e+00 0.000e+00 -40.181 -40.061 0.120 28.61 Na 1.200e+00 Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.035e-18 7.956e-18 -17.219 -17.099 0.120 (0) -O(0) 7.740e-13 - O2 3.870e-13 5.102e-13 -12.412 -12.292 0.120 30.40 +O(0) 7.697e-13 + O2 3.849e-13 5.073e-13 -12.415 -12.295 0.120 30.40 ------------------------------Saturation indices------------------------------- @@ -1055,7 +1043,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.961 Charge balance - pe = 11.492 Adjusted to redox equilibrium + pe = 11.493 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 104560 Density (g/cm³) = 1.04713 Volume (L) = 1.02755 @@ -1065,7 +1053,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.244e-09 + Electrical balance (eq) = -1.262e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1083,12 +1071,11 @@ Cl 1.300e+00 Cl- 1.300e+00 7.755e-01 0.114 -0.110 -0.224 19.06 HCl 8.171e-09 2.921e-08 -8.088 -7.534 0.553 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.186 -40.056 0.130 28.61 + H2 0.000e+00 0.000e+00 -40.189 -40.059 0.130 28.61 Na 1.300e+00 Na+ 1.300e+00 9.784e-01 0.114 -0.009 -0.123 -0.15 - NaOH 6.417e-18 8.656e-18 -17.193 -17.063 0.130 (0) -O(0) 7.324e-13 - O2 3.662e-13 4.940e-13 -12.436 -12.306 0.130 30.40 +O(0) 7.420e-13 + O2 3.710e-13 5.005e-13 -12.431 -12.301 0.130 30.40 ------------------------------Saturation indices------------------------------- @@ -1097,7 +1084,7 @@ O(0) 7.324e-13 H2(g) -36.96 -40.06 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.69 -0.12 1.57 NaCl - O2(g) -9.41 -12.31 -2.89 O2 + O2(g) -9.41 -12.30 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1162,9 +1149,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.196 -40.056 0.140 28.61 Na 1.400e+00 Na+ 1.400e+00 1.065e+00 0.146 0.028 -0.119 -0.11 - NaOH 6.789e-18 9.371e-18 -17.168 -17.028 0.140 (0) -O(0) 7.077e-13 - O2 3.539e-13 4.885e-13 -12.451 -12.311 0.140 30.40 +O(0) 7.083e-13 + O2 3.541e-13 4.888e-13 -12.451 -12.311 0.140 30.40 ------------------------------Saturation indices------------------------------- @@ -1238,9 +1224,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.204 -40.054 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 7.150e-18 1.010e-17 -17.146 -16.996 0.150 (0) -O(0) 6.809e-13 - O2 3.404e-13 4.809e-13 -12.468 -12.318 0.150 30.40 +O(0) 6.831e-13 + O2 3.416e-13 4.825e-13 -12.467 -12.317 0.150 30.40 ------------------------------Saturation indices------------------------------- @@ -1249,7 +1234,7 @@ O(0) 6.809e-13 H2(g) -36.95 -40.05 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O Halite -1.56 0.01 1.57 NaCl - O2(g) -9.43 -12.32 -2.89 O2 + O2(g) -9.42 -12.32 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1283,7 +1268,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 11.494 Adjusted to redox equilibrium + pe = 11.493 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 123077 Density (g/cm³) = 1.05796 Volume (L) = 1.03360 @@ -1311,12 +1296,11 @@ Cl 1.600e+00 Cl- 1.600e+00 9.422e-01 0.204 -0.026 -0.230 19.17 HCl 7.448e-09 3.573e-08 -8.128 -7.447 0.681 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.214 -40.054 0.160 28.61 + H2 0.000e+00 0.000e+00 -40.213 -40.053 0.160 28.61 Na 1.600e+00 Na+ 1.600e+00 1.247e+00 0.204 0.096 -0.108 -0.02 - NaOH 7.503e-18 1.084e-17 -17.125 -16.965 0.160 (0) -O(0) 6.625e-13 - O2 3.312e-13 4.788e-13 -12.480 -12.320 0.160 30.40 +O(0) 6.598e-13 + O2 3.299e-13 4.768e-13 -12.482 -12.322 0.160 30.40 ------------------------------Saturation indices------------------------------- @@ -1359,7 +1343,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.957 Charge balance - pe = 11.494 Adjusted to redox equilibrium + pe = 11.492 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 128885 Density (g/cm³) = 1.06152 Volume (L) = 1.03564 @@ -1369,7 +1353,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.208e-09 + Electrical balance (eq) = -1.203e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1387,12 +1371,11 @@ Cl 1.700e+00 Cl- 1.700e+00 9.978e-01 0.230 -0.001 -0.231 19.20 HCl 7.165e-09 3.791e-08 -8.145 -7.421 0.724 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.222 -40.052 0.170 28.61 + H2 0.000e+00 0.000e+00 -40.219 -40.049 0.170 28.61 Na 1.700e+00 Na+ 1.700e+00 1.342e+00 0.230 0.128 -0.103 0.02 - NaOH 7.846e-18 1.161e-17 -17.105 -16.935 0.170 (0) -O(0) 6.372e-13 - O2 3.186e-13 4.713e-13 -12.497 -12.327 0.170 30.40 +O(0) 6.280e-13 + O2 3.140e-13 4.644e-13 -12.503 -12.333 0.170 30.40 ------------------------------Saturation indices------------------------------- @@ -1401,7 +1384,7 @@ O(0) 6.372e-13 H2(g) -36.95 -40.05 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.44 0.13 1.57 NaCl - O2(g) -9.43 -12.33 -2.89 O2 + O2(g) -9.44 -12.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1445,7 +1428,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.168e-09 + Electrical balance (eq) = -1.167e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1466,9 +1449,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.229 -40.049 0.180 28.61 Na 1.800e+00 Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.182e-18 1.238e-17 -17.087 -16.907 0.180 (0) -O(0) 6.086e-13 - O2 3.043e-13 4.606e-13 -12.517 -12.337 0.180 30.40 +O(0) 6.079e-13 + O2 3.040e-13 4.601e-13 -12.517 -12.337 0.180 30.40 ------------------------------Saturation indices------------------------------- @@ -1511,7 +1493,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.956 Charge balance - pe = 11.493 Adjusted to redox equilibrium + pe = 11.494 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 139974 Density (g/cm³) = 1.06856 Volume (L) = 1.03976 @@ -1521,7 +1503,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.071e-09 + Electrical balance (eq) = -1.085e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1539,12 +1521,11 @@ Cl 1.900e+00 Cl- 1.900e+00 1.109e+00 0.279 0.045 -0.234 19.26 HCl 6.572e-09 4.230e-08 -8.182 -7.374 0.809 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.239 -40.049 0.190 28.61 + H2 0.000e+00 0.000e+00 -40.240 -40.050 0.190 28.61 Na 1.900e+00 Na+ 1.900e+00 1.540e+00 0.279 0.188 -0.091 0.10 - NaOH 8.509e-18 1.318e-17 -17.070 -16.880 0.190 (0) -O(0) 5.899e-13 - O2 2.949e-13 4.568e-13 -12.530 -12.340 0.190 30.40 +O(0) 5.919e-13 + O2 2.960e-13 4.584e-13 -12.529 -12.339 0.190 30.40 ------------------------------Saturation indices------------------------------- @@ -1587,7 +1568,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.955 Charge balance - pe = 11.493 Adjusted to redox equilibrium + pe = 11.494 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 145262 Density (g/cm³) = 1.07204 Volume (L) = 1.04183 @@ -1597,7 +1578,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -7.106e-10 + Electrical balance (eq) = -7.705e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1615,12 +1596,11 @@ Cl 2.000e+00 Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 HCl 6.269e-09 4.450e-08 -8.203 -7.352 0.851 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.247 -40.047 0.200 28.61 + H2 0.000e+00 0.000e+00 -40.248 -40.048 0.200 28.61 Na 2.000e+00 Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.829e-18 1.399e-17 -17.054 -16.854 0.200 (0) -O(0) 5.679e-13 - O2 2.840e-13 4.501e-13 -12.547 -12.347 0.200 30.40 +O(0) 5.703e-13 + O2 2.851e-13 4.519e-13 -12.545 -12.345 0.200 30.40 ------------------------------Saturation indices------------------------------- @@ -1629,7 +1609,7 @@ O(0) 5.679e-13 H2(g) -36.95 -40.05 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.29 0.28 1.57 NaCl - O2(g) -9.45 -12.35 -2.89 O2 + O2(g) -9.45 -12.34 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/osmotic_101.sel b/mytest/osmotic_101.sel index 693d720ea..042640680 100644 --- a/mytest/osmotic_101.sel +++ b/mytest/osmotic_101.sel @@ -1,22 +1,22 @@ Mu SC 0.000000100661 0.0546997340 - 0.100000125507 10609.0360223355 - 0.200000131568 20182.8324852522 - 0.300000135336 29241.1912833217 - 0.400000138094 37919.6848727688 - 0.500000140285 46282.9145608557 - 0.600000142117 54368.2442886532 - 0.700000143701 62199.7904574322 - 0.800000145104 69794.3181362633 - 0.900000146368 77164.1506220643 - 1.000000147520 84318.7645644884 - 1.100000148580 91265.7330561985 - 1.200000149562 98011.3157747438 - 1.300000150476 104560.8443648017 - 1.400000151329 110918.9843732615 - 1.500000152128 117089.9161523190 - 1.600000152878 123077.4644978106 - 1.700000153582 128885.1921146571 - 1.800000154243 134516.4682245402 - 1.900000154865 139974.5193754476 - 2.000000155449 145262.4673098942 + 0.100000125507 10609.0359951556 + 0.200000131568 20182.8324128661 + 0.300000135336 29241.1911530190 + 0.400000138094 37919.6846541532 + 0.500000140285 46282.9143024858 + 0.600000142117 54368.2439595313 + 0.700000143701 62199.7900573662 + 0.800000145104 69794.3176592552 + 0.900000146368 77164.1500697531 + 1.000000147520 84318.7639364944 + 1.100000148580 91265.7323527557 + 1.200000149562 98011.3149830049 + 1.300000150476 104560.8435135743 + 1.400000151329 110918.9834486355 + 1.500000152128 117089.9151566559 + 1.600000152878 123077.4634327810 + 1.700000153582 128885.1909821707 + 1.800000154243 134516.4670266897 + 1.900000154865 139974.5181140530 + 2.000000155449 145262.4659866817 diff --git a/mytest/oxygen.out b/mytest/oxygen.out index 8a345ae59..49299dea8 100644 --- a/mytest/oxygen.out +++ b/mytest/oxygen.out @@ -137,7 +137,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99705 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89009 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.476e-05 Mass of water (kg) = 1.000e+00 diff --git a/mytest/oxygen_101.sel b/mytest/oxygen_101.sel index 428dbb021..8f5119d3c 100644 --- a/mytest/oxygen_101.sel +++ b/mytest/oxygen_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000000100643 0.0547802358 - 0.000014756907 5.7712556728 + 0.000000100643 0.0547802359 + 0.000014756907 5.7705016831 diff --git a/mytest/oxygenmp.out b/mytest/oxygenmp.out index 7ff4320ef..064676411 100644 --- a/mytest/oxygenmp.out +++ b/mytest/oxygenmp.out @@ -137,7 +137,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 5 Density (g/cm³) = 0.99705 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89009 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.476e-05 Mass of water (kg) = 1.000e+00 diff --git a/mytest/oxygenmp_101.sel b/mytest/oxygenmp_101.sel index 428dbb021..8f5119d3c 100644 --- a/mytest/oxygenmp_101.sel +++ b/mytest/oxygenmp_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.000000100643 0.0547802358 - 0.000014756907 5.7712556728 + 0.000000100643 0.0547802359 + 0.000014756907 5.7705016831 diff --git a/mytest/pKw.out b/mytest/pKw.out index 8a9d26576..882e16366 100644 --- a/mytest/pKw.out +++ b/mytest/pKw.out @@ -2999,7 +2999,7 @@ Using pressure 1. Specific Conductance (µS/cm, 220°C) = 3 Density (g/cm³) = 0.87630 Volume (L) = 1.14117 - Viscosity (mPa s) = 0.13306 + Viscosity (mPa s) = 0.13307 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.153e-06 Mass of water (kg) = 1.000e+00 @@ -4816,7 +4816,7 @@ Using pressure 1. Specific Conductance (µS/cm, 240°C) = 4 Density (g/cm³) = 0.88712 Volume (L) = 1.12724 - Viscosity (mPa s) = 0.13294 + Viscosity (mPa s) = 0.13293 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.265e-06 Mass of water (kg) = 1.000e+00 diff --git a/mytest/pKw_101.sel b/mytest/pKw_101.sel index f6db6cd90..8a42248f3 100644 --- a/mytest/pKw_101.sel +++ b/mytest/pKw_101.sel @@ -2,94 +2,94 @@ 0.000000100644 0.0547821166 0.000000035661 0.0123528660 0.000000056621 0.0243940019 - 0.000000085908 0.0440017207 + 0.000000085908 0.0440017208 0.000000125217 0.0738412075 - 0.000000176122 0.1167514260 - 0.000000239956 0.1755197694 - 0.000000317701 0.2526205196 - 0.000000409888 0.3499449587 - 0.000000516524 0.4685527482 - 0.000000637034 0.6084716099 - 0.000000770249 0.7685739243 - 0.000000914539 0.9466620988 - 0.000001067528 1.1391946373 - 0.000001226431 1.3416748649 - 0.000001388060 1.5487835218 - 0.000001548950 1.7546436996 - 0.000001705481 1.9531266080 - 0.000001854033 2.1381768456 - 0.000001991134 2.3041359217 - 0.000002113616 2.4460573831 - 0.000002218769 2.5598684654 - 0.000002304472 2.6428155422 - 0.000002369332 2.6933348112 - 0.000002412787 2.7113018306 - 0.000002435217 2.6980192656 - 0.000002438051 2.6562081566 - 0.000002423901 2.5899857810 - 0.000002396785 2.5048815445 - 0.000002362546 2.4079835099 - 0.000002329711 2.3084036208 - 0.000002311385 2.2184925682 + 0.000000176122 0.1167514261 + 0.000000239956 0.1755197693 + 0.000000317701 0.2526205189 + 0.000000409888 0.3499449562 + 0.000000516524 0.4685527423 + 0.000000637034 0.6084715979 + 0.000000770249 0.7685739030 + 0.000000914539 0.9466620646 + 0.000001067528 1.1391945877 + 0.000001226431 1.3416748006 + 0.000001388060 1.5487834503 + 0.000001548950 1.7546436431 + 0.000001705481 1.9531266208 + 0.000001854033 2.1381770676 + 0.000001991134 2.3041368455 + 0.000002113616 2.4460658505 + 0.000002218769 2.5598646331 + 0.000002304472 2.6428133430 + 0.000002369332 2.6933330617 + 0.000002412787 2.7113003035 + 0.000002435217 2.6980178868 + 0.000002438051 2.6562068969 + 0.000002423901 2.5899846273 + 0.000002396785 2.5048804888 + 0.000002362546 2.4079825440 + 0.000002329711 2.3084027333 + 0.000002311385 2.2184917415 0.000000043391 0.0165317466 - 0.000000069311 0.0320213756 - 0.000000105488 0.0569127067 - 0.000000154004 0.0944193070 - 0.000000216803 0.1479472388 - 0.000000295553 0.2208316330 - 0.000000391523 0.3160384584 - 0.000000505476 0.4358643437 - 0.000000637583 0.5816672748 - 0.000000787365 0.7536560494 - 0.000000953673 0.9507583989 - 0.000001134691 1.1705786067 - 0.000001327974 1.4094467851 - 0.000001530518 1.6625545661 - 0.000001738854 1.9241661246 - 0.000001949171 2.1878891483 - 0.000002157453 2.4469874347 - 0.000002359632 2.6947151011 - 0.000002551754 2.9246519028 - 0.000002730136 3.1310199138 - 0.000002891529 3.3089640936 - 0.000003033260 3.4547869585 - 0.000003153369 3.5660059499 - 0.000003250724 3.6418525301 - 0.000003325114 3.6826670134 - 0.000003377337 3.6904038628 - 0.000003409282 3.6683618662 - 0.000003424032 3.6211342161 - 0.000003426022 3.5545527658 - 0.000003421320 3.4757074688 - 0.000003418163 3.3931327273 + 0.000000069311 0.0320213757 + 0.000000105488 0.0569127068 + 0.000000154004 0.0944193072 + 0.000000216803 0.1479472389 + 0.000000295553 0.2208316329 + 0.000000391523 0.3160384571 + 0.000000505476 0.4358643397 + 0.000000637583 0.5816672656 + 0.000000787365 0.7536560314 + 0.000000953673 0.9507583675 + 0.000001134691 1.1705785569 + 0.000001327974 1.4094467129 + 0.000001530518 1.6625544704 + 0.000001738854 1.9241660106 + 0.000001949171 2.1878890326 + 0.000002157453 2.4469873530 + 0.000002359632 2.6947151236 + 0.000002551754 2.9246521671 + 0.000002730136 3.1310207155 + 0.000002891529 3.3089662387 + 0.000003033260 3.4547943329 + 0.000003153369 3.5659829362 + 0.000003250724 3.6418459541 + 0.000003325114 3.6826625714 + 0.000003377337 3.6904002859 + 0.000003409282 3.6683587831 + 0.000003424032 3.6211314712 + 0.000003426022 3.5545502781 + 0.000003421320 3.4757051866 + 0.000003418163 3.3931306096 0.000000047578 0.0193513608 - 0.000000079497 0.0385563398 - 0.000000124526 0.0696750769 - 0.000000185346 0.1167600355 - 0.000000264441 0.1840724109 - 0.000000363938 0.2757493560 - 0.000000485451 0.3954368322 - 0.000000629945 0.5459288305 - 0.000000797649 0.7288517978 - 0.000000987981 0.9444255054 - 0.000001199527 1.1913208563 - 0.000001430052 1.4666237888 - 0.000001676545 1.7659043151 - 0.000001935301 2.0833817495 - 0.000002202034 2.4121714704 - 0.000002472015 2.7445948175 - 0.000002740227 3.0725315050 - 0.000003001547 3.3877928943 - 0.000003250919 3.6824944144 - 0.000003483537 3.9494063297 - 0.000003695020 4.1822639591 - 0.000003881567 4.3760214834 - 0.000004040091 4.5270370262 - 0.000004168332 4.6331834171 - 0.000004264929 4.6939038425 - 0.000004329465 4.7098712060 - 0.000004362476 4.6837660930 - 0.000004365432 4.6188419236 - 0.000004340682 4.5196170744 - 0.000004291397 4.3913224099 - 0.000004221493 4.2396683875 + 0.000000079497 0.0385563399 + 0.000000124526 0.0696750771 + 0.000000185346 0.1167600358 + 0.000000264441 0.1840724112 + 0.000000363938 0.2757493557 + 0.000000485451 0.3954368301 + 0.000000629945 0.5459288241 + 0.000000797649 0.7288517833 + 0.000000987981 0.9444254775 + 0.000001199527 1.1913208080 + 0.000001430052 1.4666237127 + 0.000001676545 1.7659042049 + 0.000001935301 2.0833816020 + 0.000002202034 2.4121712892 + 0.000002472015 2.7445946169 + 0.000002740227 3.0725313162 + 0.000003001547 3.3877927729 + 0.000003250919 3.6824944521 + 0.000003483537 3.9494066746 + 0.000003695020 4.1822648548 + 0.000003881567 4.3760232795 + 0.000004040091 4.5270405267 + 0.000004168332 4.6331909508 + 0.000004264929 4.6939311364 + 0.000004329465 4.7098373789 + 0.000004362476 4.6837534912 + 0.000004365432 4.6188336030 + 0.000004340682 4.5196106851 + 0.000004291397 4.3913171799 + 0.000004221493 4.2396639671 diff --git a/mytest/p_dep_species.out b/mytest/p_dep_species.out index e8402a9ee..388e24555 100644 --- a/mytest/p_dep_species.out +++ b/mytest/p_dep_species.out @@ -61,7 +61,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 41 Density (g/cm³) = 0.99729 Volume (L) = 1.00383 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.89196 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.064e-04 Mass of water (kg) = 1.000e+00 @@ -129,7 +129,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 41 Density (g/cm³) = 0.99729 Volume (L) = 1.00383 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.89196 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.064e-04 Mass of water (kg) = 1.000e+00 @@ -193,7 +193,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 44 Density (g/cm³) = 1.00208 Volume (L) = 0.99902 - Viscosity (mPa s) = 0.88878 + Viscosity (mPa s) = 0.89067 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.130e-04 Mass of water (kg) = 1.000e+00 @@ -258,7 +258,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 47 Density (g/cm³) = 1.00681 Volume (L) = 0.99433 - Viscosity (mPa s) = 0.88786 + Viscosity (mPa s) = 0.88975 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.198e-04 Mass of water (kg) = 1.000e+00 @@ -323,7 +323,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 50 Density (g/cm³) = 1.01146 Volume (L) = 0.98976 - Viscosity (mPa s) = 0.88732 + Viscosity (mPa s) = 0.88923 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.267e-04 Mass of water (kg) = 1.000e+00 @@ -388,7 +388,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 54 Density (g/cm³) = 1.01601 Volume (L) = 0.98532 - Viscosity (mPa s) = 0.88718 + Viscosity (mPa s) = 0.88910 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.338e-04 Mass of water (kg) = 1.000e+00 @@ -453,7 +453,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 57 Density (g/cm³) = 1.02047 Volume (L) = 0.98102 - Viscosity (mPa s) = 0.88742 + Viscosity (mPa s) = 0.88936 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.411e-04 Mass of water (kg) = 1.000e+00 @@ -515,10 +515,10 @@ Using pressure 1. pH = 3.834 Charge balance pe = 13.964 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 61 + Specific Conductance (µS/cm, 25°C) = 60 Density (g/cm³) = 1.02482 Volume (L) = 0.97685 - Viscosity (mPa s) = 0.88804 + Viscosity (mPa s) = 0.88999 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.485e-04 Mass of water (kg) = 1.000e+00 @@ -583,7 +583,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 64 Density (g/cm³) = 1.02909 Volume (L) = 0.97281 - Viscosity (mPa s) = 0.88902 + Viscosity (mPa s) = 0.89100 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.561e-04 Mass of water (kg) = 1.000e+00 @@ -648,7 +648,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 68 Density (g/cm³) = 1.03327 Volume (L) = 0.96887 - Viscosity (mPa s) = 0.89037 + Viscosity (mPa s) = 0.89237 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.639e-04 Mass of water (kg) = 1.000e+00 @@ -710,10 +710,10 @@ Using pressure 1. pH = 3.771 Charge balance pe = 13.987 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 72 + Specific Conductance (µS/cm, 25°C) = 71 Density (g/cm³) = 1.03739 Volume (L) = 0.96502 - Viscosity (mPa s) = 0.89209 + Viscosity (mPa s) = 0.89410 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.718e-04 Mass of water (kg) = 1.000e+00 @@ -775,10 +775,10 @@ Using pressure 1. pH = 3.751 Charge balance pe = 14.005 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 76 + Specific Conductance (µS/cm, 25°C) = 75 Density (g/cm³) = 1.04145 Volume (L) = 0.96126 - Viscosity (mPa s) = 0.89417 + Viscosity (mPa s) = 0.89620 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.799e-04 Mass of water (kg) = 1.000e+00 @@ -843,7 +843,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 79 Density (g/cm³) = 1.04549 Volume (L) = 0.95755 - Viscosity (mPa s) = 0.89663 + Viscosity (mPa s) = 0.89869 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.882e-04 Mass of water (kg) = 1.000e+00 @@ -908,7 +908,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 83 Density (g/cm³) = 1.04952 Volume (L) = 0.95387 - Viscosity (mPa s) = 0.89950 + Viscosity (mPa s) = 0.90158 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.967e-04 Mass of water (kg) = 1.000e+00 @@ -973,7 +973,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 87 Density (g/cm³) = 1.05358 Volume (L) = 0.95019 - Viscosity (mPa s) = 0.90282 + Viscosity (mPa s) = 0.90492 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.053e-04 Mass of water (kg) = 1.000e+00 @@ -1038,7 +1038,7 @@ Using pressure 1. Specific Conductance (µS/cm, 25°C) = 91 Density (g/cm³) = 1.05769 Volume (L) = 0.94650 - Viscosity (mPa s) = 0.90662 + Viscosity (mPa s) = 0.90875 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.140e-04 Mass of water (kg) = 1.000e+00 @@ -1120,7 +1120,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 66 Density (g/cm³) = 0.98075 Volume (L) = 1.02075 - Viscosity (mPa s) = 0.43294 + Viscosity (mPa s) = 0.43342 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.133e-04 Mass of water (kg) = 1.000e+00 @@ -1185,7 +1185,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 70 Density (g/cm³) = 0.98543 Volume (L) = 1.01590 - Viscosity (mPa s) = 0.43567 + Viscosity (mPa s) = 0.43617 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.197e-04 Mass of water (kg) = 1.000e+00 @@ -1251,7 +1251,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 74 Density (g/cm³) = 0.99000 Volume (L) = 1.01122 - Viscosity (mPa s) = 0.43842 + Viscosity (mPa s) = 0.43893 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.263e-04 Mass of water (kg) = 1.000e+00 @@ -1317,7 +1317,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 78 Density (g/cm³) = 0.99446 Volume (L) = 1.00668 - Viscosity (mPa s) = 0.44118 + Viscosity (mPa s) = 0.44171 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.328e-04 Mass of water (kg) = 1.000e+00 @@ -1383,7 +1383,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 82 Density (g/cm³) = 0.99882 Volume (L) = 1.00229 - Viscosity (mPa s) = 0.44398 + Viscosity (mPa s) = 0.44453 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.394e-04 Mass of water (kg) = 1.000e+00 @@ -1449,7 +1449,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 86 Density (g/cm³) = 1.00309 Volume (L) = 0.99802 - Viscosity (mPa s) = 0.44681 + Viscosity (mPa s) = 0.44737 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.461e-04 Mass of water (kg) = 1.000e+00 @@ -1515,7 +1515,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 90 Density (g/cm³) = 1.00726 Volume (L) = 0.99388 - Viscosity (mPa s) = 0.44967 + Viscosity (mPa s) = 0.45026 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.528e-04 Mass of water (kg) = 1.000e+00 @@ -1578,10 +1578,10 @@ Using pressure 1. pH = 3.804 Charge balance pe = 11.393 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 95 + Specific Conductance (µS/cm, 65°C) = 94 Density (g/cm³) = 1.01136 Volume (L) = 0.98986 - Viscosity (mPa s) = 0.45257 + Viscosity (mPa s) = 0.45317 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.595e-04 Mass of water (kg) = 1.000e+00 @@ -1644,10 +1644,10 @@ Using pressure 1. pH = 3.786 Charge balance pe = 11.387 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 99 + Specific Conductance (µS/cm, 65°C) = 98 Density (g/cm³) = 1.01537 Volume (L) = 0.98595 - Viscosity (mPa s) = 0.45551 + Viscosity (mPa s) = 0.45613 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.662e-04 Mass of water (kg) = 1.000e+00 @@ -1713,7 +1713,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 103 Density (g/cm³) = 1.01930 Volume (L) = 0.98214 - Viscosity (mPa s) = 0.45849 + Viscosity (mPa s) = 0.45913 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.730e-04 Mass of water (kg) = 1.000e+00 @@ -1779,7 +1779,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 107 Density (g/cm³) = 1.02316 Volume (L) = 0.97844 - Viscosity (mPa s) = 0.46150 + Viscosity (mPa s) = 0.46217 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.798e-04 Mass of water (kg) = 1.000e+00 @@ -1845,7 +1845,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 111 Density (g/cm³) = 1.02693 Volume (L) = 0.97485 - Viscosity (mPa s) = 0.46456 + Viscosity (mPa s) = 0.46524 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.867e-04 Mass of water (kg) = 1.000e+00 @@ -1911,7 +1911,7 @@ Using pressure 1. Specific Conductance (µS/cm, 65°C) = 115 Density (g/cm³) = 1.03063 Volume (L) = 0.97135 - Viscosity (mPa s) = 0.46765 + Viscosity (mPa s) = 0.46835 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.935e-04 Mass of water (kg) = 1.000e+00 @@ -1974,10 +1974,10 @@ Using pressure 1. pH = 3.705 Charge balance pe = 11.135 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 120 + Specific Conductance (µS/cm, 65°C) = 119 Density (g/cm³) = 1.03425 Volume (L) = 0.96795 - Viscosity (mPa s) = 0.47077 + Viscosity (mPa s) = 0.47149 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.005e-04 Mass of water (kg) = 1.000e+00 @@ -2040,10 +2040,10 @@ Using pressure 1. pH = 3.690 Charge balance pe = 11.142 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 124 + Specific Conductance (µS/cm, 65°C) = 123 Density (g/cm³) = 1.03778 Volume (L) = 0.96466 - Viscosity (mPa s) = 0.47392 + Viscosity (mPa s) = 0.47467 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.074e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/p_dep_species_101.sel b/mytest/p_dep_species_101.sel index 8b7bf0f31..307c07646 100644 --- a/mytest/p_dep_species_101.sel +++ b/mytest/p_dep_species_101.sel @@ -1,32 +1,32 @@ Mu SC - 0.000106404734 41.4462766439 - 0.000106404734 41.4462766439 - 0.000113010191 44.5047875229 - 0.000119779480 47.6622316066 - 0.000126712949 50.9137379448 - 0.000133811335 54.2550260780 - 0.000141075657 57.6823827336 - 0.000148507102 61.1926365282 - 0.000156106889 64.7830959296 - 0.000163876112 68.4514381964 - 0.000171815566 72.1955449823 - 0.000179925544 76.0132806189 - 0.000188205621 79.9022061704 - 0.000196654406 83.8592260242 - 0.000205269282 87.8801550822 - 0.000214046123 91.9591962731 - 0.000113280963 66.4245690295 - 0.000119749378 70.4388200173 - 0.000126266024 74.4857054674 - 0.000132827554 78.5608668070 - 0.000139431061 82.6601814125 - 0.000146074035 86.7797633842 - 0.000152754343 90.9159643008 - 0.000159470200 95.0653756372 - 0.000166220155 99.2248389505 - 0.000173003075 103.3914580837 - 0.000179818146 107.5626192866 - 0.000186664863 111.7360140045 - 0.000193543044 115.9096681934 - 0.000200452827 120.0819742900 - 0.000207394694 124.2517292734 + 0.000106404734 41.2628537691 + 0.000106404734 41.2628537691 + 0.000113010191 44.3063774975 + 0.000119779480 47.4481594669 + 0.000126712949 50.6833352932 + 0.000133811335 54.0076285644 + 0.000141075657 57.4173275614 + 0.000148507102 60.9092600086 + 0.000156106889 64.4807312594 + 0.000163876112 68.1294137318 + 0.000171815566 71.8531832798 + 0.000179925544 75.6498986031 + 0.000188205621 79.5171167988 + 0.000196654406 83.4517418769 + 0.000205269282 87.4495943981 + 0.000214046123 91.5048920178 + 0.000113280963 66.2779061755 + 0.000119749378 70.2788230238 + 0.000126266024 74.3117400391 + 0.000132827554 78.3723003132 + 0.000139431061 82.4563836058 + 0.000146074035 86.5601069990 + 0.000152754343 90.6798255241 + 0.000159470200 94.8121344667 + 0.000166220155 98.9538793861 + 0.000173003075 103.1021681710 + 0.000179818146 107.2543909535 + 0.000186664863 111.4082426968 + 0.000193543044 115.5617522467 + 0.000200452827 119.7133140399 + 0.000207394694 123.8617258312 diff --git a/mytest/peng_SO2_101.sel b/mytest/peng_SO2_101.sel index 381fed552..854dda54f 100644 --- a/mytest/peng_SO2_101.sel +++ b/mytest/peng_SO2_101.sel @@ -1,24 +1,24 @@ Mu SC - 0.000000171199 0.1123405814 - 0.000000171639 0.1126294821 - 0.000000172055 0.1130001181 + 0.000000171199 0.1123405815 + 0.000000171639 0.1126294822 + 0.000000172055 0.1130001182 0.000000172380 0.1132475228 0.000000172619 0.1134297831 - 0.000000172778 0.1135509939 + 0.000000172778 0.1135509940 0.000000172862 0.1136149788 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000172879 0.1136276433 - 0.000000175723 0.1157965224 - 0.000000179223 0.1184656773 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000172879 0.1136276434 + 0.000000175723 0.1157965225 + 0.000000179223 0.1184656774 diff --git a/mytest/phase_formula_101.sel b/mytest/phase_formula_101.sel index 0c63483d8..ad3723ccd 100644 --- a/mytest/phase_formula_101.sel +++ b/mytest/phase_formula_101.sel @@ -1,3 +1,3 @@ Mu SC 0.000000100661 0.0546997340 - 0.000285456946 24.3265581389 + 0.000285456946 24.3265250653 diff --git a/mytest/phase_vm.out b/mytest/phase_vm.out index 6ec57aafc..339c42f44 100644 --- a/mytest/phase_vm.out +++ b/mytest/phase_vm.out @@ -69,10 +69,10 @@ CH4(g) 0 pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 362 + Specific Conductance (µS/cm, 25°C) = 361 Density (g/cm³) = 0.99730 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89263 + Viscosity (mPa s) = 0.89382 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.906e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/phase_vm_101.sel b/mytest/phase_vm_101.sel index 4aa630835..a23a6863b 100644 --- a/mytest/phase_vm_101.sel +++ b/mytest/phase_vm_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.005905633221 362.1296408952 + 0.005905633221 361.8529555767 diff --git a/mytest/phi_Angus_101.sel b/mytest/phi_Angus_101.sel index b63781bb3..62506cc85 100644 --- a/mytest/phi_Angus_101.sel +++ b/mytest/phi_Angus_101.sel @@ -1,129 +1,129 @@ Mu SC 0.000000100661 0.0546997340 - 0.000128509220 51.3025846659 - 0.000536353481 204.9373265348 - 0.000704402611 260.5570473290 - 0.000801510345 289.7278853926 - 0.000834245022 299.0048531172 - 0.000854486521 304.5925900865 - 0.000873743153 309.8001872392 - 0.000892516863 314.7734488596 - 0.000910988770 319.5648351936 - 0.000929250298 324.2004034907 - 0.000947404940 328.7072426279 - 0.000965502621 333.0973450975 - 0.000983559170 337.3736371633 - 0.001001616264 341.5446085384 - 0.001019729757 345.6209342762 - 0.001037829601 349.5847525719 - 0.001055996284 353.4514911761 - 0.001074293303 357.2311106999 - 0.001092595717 360.8947933401 - 0.001111010023 364.4609910590 - 0.001129602533 367.9379381116 - 0.001148197176 371.2891390707 - 0.001166876973 374.5268974619 - 0.001185756624 377.6663406298 - 0.001204668375 380.6753170453 - 0.001223749927 383.5717338260 - 0.001242943483 386.3418795631 - 0.001262307404 388.9891423963 - 0.001281664838 391.4856131648 - 0.001301338926 393.8674453762 - 0.001320893453 396.0776084905 + 0.000128509220 50.9983256650 + 0.000536353481 186.4272383651 + 0.000704402611 221.7992199642 + 0.000801510345 235.5316114890 + 0.000834245022 239.0304509532 + 0.000854486521 240.9098544902 + 0.000873743153 242.4973538472 + 0.000892516863 243.8579447206 + 0.000910988770 245.0175861333 + 0.000929250298 245.9907714415 + 0.000947404940 246.7890124438 + 0.000965502621 247.4184387993 + 0.000983559170 247.8827484010 + 0.001001616264 248.1855137108 + 0.001019729757 248.3290179756 + 0.001037829601 248.3144010373 + 0.001055996284 248.1433223942 + 0.001074293303 247.8152310500 + 0.001092595717 247.3333883893 + 0.001111010023 246.6964373015 + 0.001129602533 245.9015960021 + 0.001148197176 244.9574590253 + 0.001166876973 243.8621939265 + 0.001185756624 242.6093311834 + 0.001204668375 241.2110958512 + 0.001223749927 239.6589772454 + 0.001242943483 237.9586782657 + 0.001262307404 236.1062822954 + 0.001281664838 234.1214198672 + 0.001301338926 231.9724181329 + 0.001320893453 229.7096980260 0.000000100661 0.0546997340 - 0.000100049380 55.0775988896 - 0.000424623249 227.5078394076 - 0.000568743803 298.3496746922 - 0.000663694082 342.1124504954 - 0.000730074873 371.0616037368 - 0.000776442364 390.3849775825 - 0.000808926573 403.4495751006 - 0.000834550730 413.4661753896 - 0.000857233234 422.1121347571 - 0.000878383992 429.9815629759 - 0.000898642139 437.3395977509 - 0.000918316770 444.3133412289 - 0.000937568827 450.9687903360 - 0.000956532173 457.3575819675 - 0.000975323951 463.5214596386 - 0.000993913160 469.4515737966 - 0.001012413121 475.1844297526 - 0.001030910161 480.7444980441 - 0.001049295440 486.0971649377 - 0.001067690056 491.2756662996 - 0.001086170381 496.2966421316 - 0.001104570459 501.1114604771 - 0.001122980584 505.7413579603 - 0.001141519586 510.2106201580 - 0.001160027914 514.4757863097 - 0.001178644959 518.5642500566 - 0.001197318001 522.4582575195 - 0.001216107044 526.1639355833 - 0.001234843753 529.6435066966 - 0.001253843342 532.9483015321 - 0.001272687067 536.0000895564 + 0.000100049380 54.9714541856 + 0.000424623249 221.6656155076 + 0.000568743803 285.0242346840 + 0.000663694082 321.5878066953 + 0.000730074873 344.3303369086 + 0.000776442364 358.7243457684 + 0.000808926573 368.0408233724 + 0.000834550730 374.9291561231 + 0.000857233234 380.6799500133 + 0.000878383992 385.7436397231 + 0.000898642139 390.3190585748 + 0.000918316770 394.5019274305 + 0.000937568827 398.3430737199 + 0.000956532173 401.8802334571 + 0.000975323951 405.1416343962 + 0.000993913160 408.1268415805 + 0.001012413121 410.8576249965 + 0.001030910161 413.3466202159 + 0.001049295440 415.5797153737 + 0.001067690056 417.5721042818 + 0.001086170381 419.3288237569 + 0.001104570459 420.8328192880 + 0.001122980584 422.0918900115 + 0.001141519586 423.1105717711 + 0.001160027914 423.8775079183 + 0.001178644959 424.3964775366 + 0.001197318001 424.6624457658 + 0.001216107044 424.6727454017 + 0.001234843753 424.4261994687 + 0.001253843342 423.9147701653 + 0.001272687067 423.1482055315 0.000000100661 0.0546997340 - 0.000083087618 52.8666933732 - 0.000355318487 221.0852618480 - 0.000480062662 293.4459689811 - 0.000565693190 340.4728953037 - 0.000629309841 373.7020730425 - 0.000678180053 398.0989915083 - 0.000716464175 416.4574815410 - 0.000747501212 430.8193574981 - 0.000773840562 442.6206442312 - 0.000797271330 452.8066448275 - 0.000818916752 461.9451873612 - 0.000839391248 470.3412215049 - 0.000859037072 478.1633994050 - 0.000878099808 485.5277843622 - 0.000896767045 492.5179482240 - 0.000915056037 499.1482762861 - 0.000933112415 505.4769638821 - 0.000951044030 511.5429427190 - 0.000968763670 517.3177211414 - 0.000986402364 522.8444080201 - 0.001004043466 528.1456311092 - 0.001021537246 533.1743050210 - 0.001038977099 537.9564155487 - 0.001056480851 542.5193017828 - 0.001073902408 546.8205400111 - 0.001091376904 550.8894094188 - 0.001108857842 554.7091743510 - 0.001126403911 558.2864671543 - 0.001143860391 561.5857066728 - 0.001161522644 564.6555111531 - 0.001179003103 567.4234785366 + 0.000083087618 52.7970313884 + 0.000355318487 217.8869116114 + 0.000480062662 286.0862189324 + 0.000565693190 328.8575579603 + 0.000629309841 358.0874225010 + 0.000678180053 378.8930133428 + 0.000716464175 394.1108159851 + 0.000747501212 405.7108765126 + 0.000773840562 415.0150858140 + 0.000797271330 422.8607729549 + 0.000818916752 429.7375838347 + 0.000839391248 435.9061717835 + 0.000859037072 441.5108592425 + 0.000878099808 446.6489407953 + 0.000896767045 451.3883494216 + 0.000915056037 455.7464558942 + 0.000933112415 459.7675416016 + 0.000951044030 463.4796316223 + 0.000968763670 466.8685276209 + 0.000986402364 469.9624073284 + 0.001004043466 472.7741688625 + 0.001021537246 475.2800631605 + 0.001038977099 477.4951932913 + 0.001056480851 479.4313282951 + 0.001073902408 481.0700161402 + 0.001091376904 482.4221455109 + 0.001108857842 483.4802881608 + 0.001126403911 484.2440414540 + 0.001143860391 484.7053870562 + 0.001161522644 484.8674352700 + 0.001179003103 484.7245622234 0.000000100661 0.0546997340 - 0.000068451861 48.5540001915 - 0.000294428129 204.7538270992 - 0.000400414593 274.0547138301 - 0.000475188897 320.5704532946 - 0.000532670727 354.6624921650 - 0.000578726587 380.7634314467 - 0.000616543951 401.2927498633 - 0.000648455779 417.9260395919 - 0.000676045963 431.7611514615 - 0.000700517128 443.5838409063 - 0.000722813063 453.9702193669 - 0.000743559444 463.2901953578 - 0.000763161525 471.7788976906 - 0.000781928017 479.6065354450 - 0.000800095858 486.8962971458 - 0.000817723168 493.6896950929 - 0.000834982117 500.0665389270 - 0.000851998820 506.0803920069 - 0.000868708958 511.7145469934 - 0.000885250799 517.0203088929 - 0.000901713040 522.0255934748 - 0.000917965046 526.6915275505 - 0.000934101490 531.0473636843 - 0.000950236913 535.1209667043 - 0.000966241399 538.8771018744 - 0.000982243176 542.3436492848 - 0.000998202751 545.5076207821 - 0.001014176274 548.3753691265 - 0.001030025399 550.9197659185 - 0.001046019951 553.1781876292 - 0.001061810618 555.0978657230 + 0.000068451861 48.5012043430 + 0.000294428129 202.7244159554 + 0.000400414593 269.4282412849 + 0.000475188897 313.2104108866 + 0.000532670727 344.6188967871 + 0.000578726587 368.1742661988 + 0.000616543951 386.3371211980 + 0.000648455779 400.7736778162 + 0.000676045963 412.5593522973 + 0.000700517128 422.4464838954 + 0.000722813063 430.9724603173 + 0.000743559444 438.4783036780 + 0.000763161525 445.1796180280 + 0.000781928017 451.2297248848 + 0.000800095858 456.7374056569 + 0.000817723168 461.7448391801 + 0.000834982117 466.3195531320 + 0.000851998820 470.5056909712 + 0.000868708958 474.2969378027 + 0.000885250799 477.7325452388 + 0.000901713040 480.8327113870 + 0.000917965046 483.5762312892 + 0.000934101490 485.9839152507 + 0.000950236913 488.0718707669 + 0.000966241399 489.8230780411 + 0.000982243176 491.2517022526 + 0.000998202751 492.3519688856 + 0.001014176274 493.1252502761 + 0.001030025399 493.5651774251 + 0.001046019951 493.6757490928 + 0.001061810618 493.4538489255 diff --git a/mytest/phi_CO2-CH4_GP.out b/mytest/phi_CO2-CH4_GP.out index af8391f6d..b6aff385e 100644 --- a/mytest/phi_CO2-CH4_GP.out +++ b/mytest/phi_CO2-CH4_GP.out @@ -174,7 +174,7 @@ Mtg(g) 2.59 3.899e+02 0.656 1.650e+01 1.627e+01 -2.277e-01 Specific Conductance (µS/cm, 25°C) = 25 Density (g/cm³) = 1.00955 Volume (L) = 0.99443 - Viscosity (mPa s) = 0.88716 + Viscosity (mPa s) = 0.88769 Activity of water = 0.996 Ionic strength (mol/kgw) = 6.509e-05 Mass of water (kg) = 1.000e+00 @@ -276,7 +276,7 @@ Mtg(g) 2.59 3.903e+02 0.656 1.627e+01 1.627e+01 6.406e-04 Specific Conductance (µS/cm, 25°C) = 44 Density (g/cm³) = 1.00978 Volume (L) = 0.99471 - Viscosity (mPa s) = 0.88718 + Viscosity (mPa s) = 0.88860 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.119e-04 Mass of water (kg) = 1.000e+00 @@ -375,10 +375,10 @@ Mtg(g) 2.59 3.907e+02 0.656 1.627e+01 1.627e+01 6.270e-04 pH = 3.847 Charge balance pe = 14.200 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 57 + Specific Conductance (µS/cm, 25°C) = 56 Density (g/cm³) = 1.01001 Volume (L) = 0.99499 - Viscosity (mPa s) = 0.88719 + Viscosity (mPa s) = 0.88947 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.441e-04 Mass of water (kg) = 1.000e+00 @@ -480,7 +480,7 @@ Mtg(g) 2.59 3.911e+02 0.656 1.627e+01 1.627e+01 6.132e-04 Specific Conductance (µS/cm, 25°C) = 67 Density (g/cm³) = 1.01024 Volume (L) = 0.99526 - Viscosity (mPa s) = 0.88720 + Viscosity (mPa s) = 0.89032 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.702e-04 Mass of water (kg) = 1.000e+00 @@ -579,10 +579,10 @@ Mtg(g) 2.59 3.916e+02 0.656 1.627e+01 1.627e+01 6.003e-04 pH = 3.722 Charge balance pe = 14.317 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 76 + Specific Conductance (µS/cm, 25°C) = 75 Density (g/cm³) = 1.01047 Volume (L) = 0.99553 - Viscosity (mPa s) = 0.88720 + Viscosity (mPa s) = 0.89116 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.927e-04 Mass of water (kg) = 1.000e+00 @@ -688,10 +688,10 @@ Mtg(g) 2.59 3.921e+02 0.656 1.627e+01 1.627e+01 5.871e-04 pH = 3.679 Charge balance pe = 14.576 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 84 + Specific Conductance (µS/cm, 25°C) = 83 Density (g/cm³) = 1.01070 Volume (L) = 0.99579 - Viscosity (mPa s) = 0.88721 + Viscosity (mPa s) = 0.89198 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.127e-04 Mass of water (kg) = 1.000e+00 @@ -797,10 +797,10 @@ Mtg(g) 2.60 3.990e+02 0.657 1.627e+01 1.628e+01 5.186e-03 pH = 3.463 Charge balance pe = 14.882 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 138 + Specific Conductance (µS/cm, 25°C) = 134 Density (g/cm³) = 1.01301 Volume (L) = 0.99805 - Viscosity (mPa s) = 0.88726 + Viscosity (mPa s) = 0.89952 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.515e-04 Mass of water (kg) = 1.000e+00 @@ -906,10 +906,10 @@ Mtg(g) 2.61 4.093e+02 0.662 1.628e+01 1.628e+01 4.029e-03 pH = 3.361 Charge balance pe = 15.490 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 174 + Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 1.01536 Volume (L) = 0.99974 - Viscosity (mPa s) = 0.88732 + Viscosity (mPa s) = 0.90619 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.453e-04 Mass of water (kg) = 1.000e+00 @@ -1015,10 +1015,10 @@ Mtg(g) 2.63 4.238e+02 0.669 1.628e+01 1.629e+01 3.000e-03 pH = 3.293 Charge balance pe = 15.557 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 204 + Specific Conductance (µS/cm, 25°C) = 192 Density (g/cm³) = 1.01785 Volume (L) = 1.00091 - Viscosity (mPa s) = 0.88744 + Viscosity (mPa s) = 0.91221 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.214e-04 Mass of water (kg) = 1.000e+00 @@ -1124,10 +1124,10 @@ Mtg(g) 2.65 4.430e+02 0.681 1.629e+01 1.629e+01 2.103e-03 pH = 3.241 Charge balance pe = 15.608 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 230 + Specific Conductance (µS/cm, 25°C) = 214 Density (g/cm³) = 1.02053 Volume (L) = 1.00155 - Viscosity (mPa s) = 0.88764 + Viscosity (mPa s) = 0.91778 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.891e-04 Mass of water (kg) = 1.000e+00 @@ -1233,10 +1233,10 @@ Mtg(g) 2.67 4.677e+02 0.698 1.629e+01 1.629e+01 1.349e-03 pH = 3.197 Charge balance pe = 15.652 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 255 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.02350 Volume (L) = 1.00165 - Viscosity (mPa s) = 0.88798 + Viscosity (mPa s) = 0.92306 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.535e-04 Mass of water (kg) = 1.000e+00 @@ -1342,10 +1342,10 @@ Mtg(g) 2.70 4.990e+02 0.724 1.629e+01 1.629e+01 7.610e-04 pH = 3.156 Charge balance pe = 15.691 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 280 + Specific Conductance (µS/cm, 25°C) = 255 Density (g/cm³) = 1.02684 Volume (L) = 1.00120 - Viscosity (mPa s) = 0.88852 + Viscosity (mPa s) = 0.92825 Activity of water = 0.987 Ionic strength (mol/kgw) = 7.182e-04 Mass of water (kg) = 1.000e+00 @@ -1451,10 +1451,10 @@ Mtg(g) 2.73 5.381e+02 0.761 1.629e+01 1.629e+01 3.732e-04 pH = 3.117 Charge balance pe = 15.728 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 307 + Specific Conductance (µS/cm, 25°C) = 277 Density (g/cm³) = 1.03067 Volume (L) = 1.00012 - Viscosity (mPa s) = 0.88938 + Viscosity (mPa s) = 0.93353 Activity of water = 0.986 Ionic strength (mol/kgw) = 7.865e-04 Mass of water (kg) = 1.000e+00 @@ -1560,10 +1560,10 @@ Mtg(g) 2.77 5.866e+02 0.814 1.629e+01 1.629e+01 2.404e-04 pH = 3.078 Charge balance pe = 15.765 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 337 + Specific Conductance (µS/cm, 25°C) = 301 Density (g/cm³) = 1.03511 Volume (L) = 0.99833 - Viscosity (mPa s) = 0.89074 + Viscosity (mPa s) = 0.93915 Activity of water = 0.985 Ionic strength (mol/kgw) = 8.616e-04 Mass of water (kg) = 1.000e+00 @@ -1669,10 +1669,10 @@ Mtg(g) 2.81 6.468e+02 0.892 1.629e+01 1.629e+01 4.443e-04 pH = 3.037 Charge balance pe = 15.803 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 371 + Specific Conductance (µS/cm, 25°C) = 329 Density (g/cm³) = 1.04035 Volume (L) = 0.99568 - Viscosity (mPa s) = 0.89287 + Viscosity (mPa s) = 0.94546 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.475e-04 Mass of water (kg) = 1.000e+00 @@ -1778,10 +1778,10 @@ Mtg(g) 2.86 7.216e+02 1.008 1.629e+01 1.629e+01 1.104e-03 pH = 2.994 Charge balance pe = 15.844 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 412 + Specific Conductance (µS/cm, 25°C) = 363 Density (g/cm³) = 1.04663 Volume (L) = 0.99195 - Viscosity (mPa s) = 0.89623 + Viscosity (mPa s) = 0.95296 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.049e-03 Mass of water (kg) = 1.000e+00 @@ -1887,10 +1887,10 @@ Mtg(g) 2.91 8.153e+02 1.190 1.629e+01 1.629e+01 2.392e-03 pH = 2.946 Charge balance pe = 15.888 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 463 + Specific Conductance (µS/cm, 25°C) = 404 Density (g/cm³) = 1.05435 Volume (L) = 0.98677 - Viscosity (mPa s) = 0.90168 + Viscosity (mPa s) = 0.96258 Activity of water = 0.982 Ionic strength (mol/kgw) = 1.173e-03 Mass of water (kg) = 1.000e+00 @@ -2081,7 +2081,7 @@ Mtg(g) 2.59 3.921e+02 0.735 1.495e+01 1.477e+01 -1.816e-01 Specific Conductance (µS/cm, 50°C) = 32 Density (g/cm³) = 1.00068 Volume (L) = 1.00246 - Viscosity (mPa s) = 0.55499 + Viscosity (mPa s) = 0.55520 Activity of water = 0.997 Ionic strength (mol/kgw) = 6.217e-05 Mass of water (kg) = 1.000e+00 @@ -2183,7 +2183,7 @@ Mtg(g) 2.59 3.924e+02 0.735 1.477e+01 1.477e+01 5.514e-04 Specific Conductance (µS/cm, 50°C) = 57 Density (g/cm³) = 1.00089 Volume (L) = 1.00270 - Viscosity (mPa s) = 0.55507 + Viscosity (mPa s) = 0.55559 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.098e-04 Mass of water (kg) = 1.000e+00 @@ -2285,7 +2285,7 @@ Mtg(g) 2.59 3.927e+02 0.735 1.477e+01 1.477e+01 5.404e-04 Specific Conductance (µS/cm, 50°C) = 73 Density (g/cm³) = 1.00110 Volume (L) = 1.00293 - Viscosity (mPa s) = 0.55514 + Viscosity (mPa s) = 0.55594 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.421e-04 Mass of water (kg) = 1.000e+00 @@ -2387,7 +2387,7 @@ Mtg(g) 2.59 3.930e+02 0.735 1.477e+01 1.477e+01 5.296e-04 Specific Conductance (µS/cm, 50°C) = 87 Density (g/cm³) = 1.00131 Volume (L) = 1.00316 - Viscosity (mPa s) = 0.55521 + Viscosity (mPa s) = 0.55628 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.683e-04 Mass of water (kg) = 1.000e+00 @@ -2486,10 +2486,10 @@ Mtg(g) 2.59 3.933e+02 0.735 1.477e+01 1.477e+01 5.189e-04 pH = 3.727 Charge balance pe = 12.393 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 99 + Specific Conductance (µS/cm, 50°C) = 98 Density (g/cm³) = 1.00152 Volume (L) = 1.00339 - Viscosity (mPa s) = 0.55528 + Viscosity (mPa s) = 0.55661 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.907e-04 Mass of water (kg) = 1.000e+00 @@ -2588,10 +2588,10 @@ Mtg(g) 2.60 3.937e+02 0.735 1.477e+01 1.477e+01 5.085e-04 pH = 3.684 Charge balance pe = 12.451 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 109 + Specific Conductance (µS/cm, 50°C) = 108 Density (g/cm³) = 1.00173 Volume (L) = 1.00361 - Viscosity (mPa s) = 0.55534 + Viscosity (mPa s) = 0.55694 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.107e-04 Mass of water (kg) = 1.000e+00 @@ -2697,10 +2697,10 @@ Mtg(g) 2.60 3.990e+02 0.738 1.477e+01 1.478e+01 4.539e-03 pH = 3.466 Charge balance pe = 13.670 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 179 + Specific Conductance (µS/cm, 50°C) = 177 Density (g/cm³) = 1.00383 Volume (L) = 1.00554 - Viscosity (mPa s) = 0.55607 + Viscosity (mPa s) = 0.55998 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.492e-04 Mass of water (kg) = 1.000e+00 @@ -2818,10 +2818,10 @@ Mtg(g) 2.61 4.071e+02 0.743 1.478e+01 1.478e+01 3.631e-03 pH = 3.364 Charge balance pe = 13.772 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 226 + Specific Conductance (µS/cm, 50°C) = 222 Density (g/cm³) = 1.00598 Volume (L) = 1.00700 - Viscosity (mPa s) = 0.55689 + Viscosity (mPa s) = 0.56283 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.427e-04 Mass of water (kg) = 1.000e+00 @@ -2927,10 +2927,10 @@ Mtg(g) 2.62 4.186e+02 0.752 1.478e+01 1.478e+01 2.832e-03 pH = 3.297 Charge balance pe = 13.839 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 264 + Specific Conductance (µS/cm, 50°C) = 257 Density (g/cm³) = 1.00825 Volume (L) = 1.00802 - Viscosity (mPa s) = 0.55784 + Viscosity (mPa s) = 0.56562 Activity of water = 0.992 Ionic strength (mol/kgw) = 5.181e-04 Mass of water (kg) = 1.000e+00 @@ -3036,10 +3036,10 @@ Mtg(g) 2.64 4.339e+02 0.764 1.478e+01 1.479e+01 2.140e-03 pH = 3.245 Charge balance pe = 13.890 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 297 + Specific Conductance (µS/cm, 50°C) = 287 Density (g/cm³) = 1.01069 Volume (L) = 1.00861 - Viscosity (mPa s) = 0.55896 + Viscosity (mPa s) = 0.56842 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.844e-04 Mass of water (kg) = 1.000e+00 @@ -3145,10 +3145,10 @@ Mtg(g) 2.66 4.536e+02 0.782 1.479e+01 1.479e+01 1.554e-03 pH = 3.202 Charge balance pe = 13.932 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 327 + Specific Conductance (µS/cm, 50°C) = 315 Density (g/cm³) = 1.01336 Volume (L) = 1.00875 - Viscosity (mPa s) = 0.56028 + Viscosity (mPa s) = 0.57133 Activity of water = 0.990 Ionic strength (mol/kgw) = 6.464e-04 Mass of water (kg) = 1.000e+00 @@ -3254,10 +3254,10 @@ Mtg(g) 2.68 4.784e+02 0.807 1.479e+01 1.479e+01 1.082e-03 pH = 3.163 Charge balance pe = 13.970 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 357 + Specific Conductance (µS/cm, 50°C) = 342 Density (g/cm³) = 1.01633 Volume (L) = 1.00844 - Viscosity (mPa s) = 0.56188 + Viscosity (mPa s) = 0.57444 Activity of water = 0.989 Ionic strength (mol/kgw) = 7.074e-04 Mass of water (kg) = 1.000e+00 @@ -3363,10 +3363,10 @@ Mtg(g) 2.71 5.091e+02 0.841 1.479e+01 1.479e+01 7.364e-04 pH = 3.127 Charge balance pe = 14.005 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 388 + Specific Conductance (µS/cm, 50°C) = 369 Density (g/cm³) = 1.01970 Volume (L) = 1.00763 - Viscosity (mPa s) = 0.56381 + Viscosity (mPa s) = 0.57784 Activity of water = 0.988 Ionic strength (mol/kgw) = 7.698e-04 Mass of water (kg) = 1.000e+00 @@ -3472,10 +3472,10 @@ Mtg(g) 2.74 5.468e+02 0.887 1.479e+01 1.479e+01 5.396e-04 pH = 3.091 Charge balance pe = 14.039 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 421 + Specific Conductance (µS/cm, 50°C) = 398 Density (g/cm³) = 1.02354 Volume (L) = 1.00626 - Viscosity (mPa s) = 0.56618 + Viscosity (mPa s) = 0.58166 Activity of water = 0.987 Ionic strength (mol/kgw) = 8.362e-04 Mass of water (kg) = 1.000e+00 @@ -3581,10 +3581,10 @@ Mtg(g) 2.77 5.930e+02 0.953 1.479e+01 1.479e+01 5.255e-04 pH = 3.055 Charge balance pe = 14.073 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 457 + Specific Conductance (µS/cm, 50°C) = 430 Density (g/cm³) = 1.02799 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.56912 + Viscosity (mPa s) = 0.58606 Activity of water = 0.986 Ionic strength (mol/kgw) = 9.091e-04 Mass of water (kg) = 1.000e+00 @@ -3690,10 +3690,10 @@ Mtg(g) 2.81 6.494e+02 1.045 1.479e+01 1.479e+01 7.436e-04 pH = 3.018 Charge balance pe = 14.107 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 498 + Specific Conductance (µS/cm, 50°C) = 467 Density (g/cm³) = 1.03318 Volume (L) = 1.00145 - Viscosity (mPa s) = 0.57282 + Viscosity (mPa s) = 0.59125 Activity of water = 0.985 Ionic strength (mol/kgw) = 9.915e-04 Mass of water (kg) = 1.000e+00 @@ -3799,10 +3799,10 @@ Mtg(g) 2.86 7.187e+02 1.179 1.479e+01 1.479e+01 1.264e-03 pH = 2.979 Charge balance pe = 14.144 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 545 + Specific Conductance (µS/cm, 50°C) = 509 Density (g/cm³) = 1.03931 Volume (L) = 0.99773 - Viscosity (mPa s) = 0.57758 + Viscosity (mPa s) = 0.59756 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.087e-03 Mass of water (kg) = 1.000e+00 @@ -3908,10 +3908,10 @@ Mtg(g) 2.91 8.042e+02 1.382 1.479e+01 1.480e+01 2.184e-03 pH = 2.936 Charge balance pe = 14.183 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 602 + Specific Conductance (µS/cm, 50°C) = 559 Density (g/cm³) = 1.04667 Volume (L) = 0.99279 - Viscosity (mPa s) = 0.58385 + Viscosity (mPa s) = 0.60547 Activity of water = 0.984 Ionic strength (mol/kgw) = 1.201e-03 Mass of water (kg) = 1.000e+00 @@ -4108,7 +4108,7 @@ Mtg(g) 2.59 3.922e+02 0.801 1.364e+01 1.346e+01 -1.784e-01 Specific Conductance (µS/cm, 75°C) = 34 Density (g/cm³) = 0.98772 Volume (L) = 1.01553 - Viscosity (mPa s) = 0.38794 + Viscosity (mPa s) = 0.38808 Activity of water = 0.997 Ionic strength (mol/kgw) = 5.617e-05 Mass of water (kg) = 1.000e+00 @@ -4214,10 +4214,10 @@ Mtg(g) 2.59 3.924e+02 0.801 1.346e+01 1.346e+01 5.604e-04 pH = 4.002 Charge balance pe = 10.563 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 63 + Specific Conductance (µS/cm, 75°C) = 62 Density (g/cm³) = 0.98793 Volume (L) = 1.01576 - Viscosity (mPa s) = 0.38803 + Viscosity (mPa s) = 0.38834 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.017e-04 Mass of water (kg) = 1.000e+00 @@ -4323,10 +4323,10 @@ Mtg(g) 2.59 3.927e+02 0.801 1.346e+01 1.346e+01 5.495e-04 pH = 3.888 Charge balance pe = 10.690 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 82 + Specific Conductance (µS/cm, 75°C) = 81 Density (g/cm³) = 0.98813 Volume (L) = 1.01598 - Viscosity (mPa s) = 0.38811 + Viscosity (mPa s) = 0.38856 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.323e-04 Mass of water (kg) = 1.000e+00 @@ -4435,7 +4435,7 @@ Mtg(g) 2.59 3.929e+02 0.802 1.346e+01 1.346e+01 5.391e-04 Specific Conductance (µS/cm, 75°C) = 97 Density (g/cm³) = 0.98834 Volume (L) = 1.01619 - Viscosity (mPa s) = 0.38819 + Viscosity (mPa s) = 0.38878 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.569e-04 Mass of water (kg) = 1.000e+00 @@ -4544,7 +4544,7 @@ Mtg(g) 2.59 3.932e+02 0.802 1.346e+01 1.346e+01 5.289e-04 Specific Conductance (µS/cm, 75°C) = 110 Density (g/cm³) = 0.98855 Volume (L) = 1.01641 - Viscosity (mPa s) = 0.38828 + Viscosity (mPa s) = 0.38898 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.781e-04 Mass of water (kg) = 1.000e+00 @@ -4650,10 +4650,10 @@ Mtg(g) 2.59 3.935e+02 0.802 1.346e+01 1.346e+01 5.189e-04 pH = 3.715 Charge balance pe = 11.036 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 122 + Specific Conductance (µS/cm, 75°C) = 121 Density (g/cm³) = 0.98876 Volume (L) = 1.01661 - Viscosity (mPa s) = 0.38836 + Viscosity (mPa s) = 0.38919 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.969e-04 Mass of water (kg) = 1.000e+00 @@ -4752,10 +4752,10 @@ Mtg(g) 2.60 3.979e+02 0.806 1.346e+01 1.347e+01 4.669e-03 pH = 3.495 Charge balance pe = 11.253 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 201 + Specific Conductance (µS/cm, 75°C) = 199 Density (g/cm³) = 0.99085 Volume (L) = 1.01845 - Viscosity (mPa s) = 0.38922 + Viscosity (mPa s) = 0.39111 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.277e-04 Mass of water (kg) = 1.000e+00 @@ -4861,10 +4861,10 @@ Mtg(g) 2.61 4.047e+02 0.813 1.347e+01 1.347e+01 3.807e-03 pH = 3.392 Charge balance pe = 11.555 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 254 + Specific Conductance (µS/cm, 75°C) = 251 Density (g/cm³) = 0.99299 Volume (L) = 1.01988 - Viscosity (mPa s) = 0.39017 + Viscosity (mPa s) = 0.39298 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.163e-04 Mass of water (kg) = 1.000e+00 @@ -4970,10 +4970,10 @@ Mtg(g) 2.62 4.143e+02 0.822 1.347e+01 1.347e+01 3.054e-03 pH = 3.324 Charge balance pe = 11.623 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 297 + Specific Conductance (µS/cm, 75°C) = 291 Density (g/cm³) = 0.99523 Volume (L) = 1.02092 - Viscosity (mPa s) = 0.39125 + Viscosity (mPa s) = 0.39488 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.878e-04 Mass of water (kg) = 1.000e+00 @@ -5091,10 +5091,10 @@ Mtg(g) 2.63 4.270e+02 0.836 1.347e+01 1.348e+01 2.404e-03 pH = 3.272 Charge balance pe = 12.553 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 333 + Specific Conductance (µS/cm, 75°C) = 326 Density (g/cm³) = 0.99763 Volume (L) = 1.02159 - Viscosity (mPa s) = 0.39247 + Viscosity (mPa s) = 0.39688 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.506e-04 Mass of water (kg) = 1.000e+00 @@ -5200,10 +5200,10 @@ Mtg(g) 2.65 4.433e+02 0.854 1.348e+01 1.348e+01 1.850e-03 pH = 3.229 Charge balance pe = 12.596 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 367 + Specific Conductance (µS/cm, 75°C) = 358 Density (g/cm³) = 1.00022 Volume (L) = 1.02186 - Viscosity (mPa s) = 0.39388 + Viscosity (mPa s) = 0.39902 Activity of water = 0.990 Ionic strength (mol/kgw) = 6.089e-04 Mass of water (kg) = 1.000e+00 @@ -5309,10 +5309,10 @@ Mtg(g) 2.67 4.637e+02 0.879 1.348e+01 1.348e+01 1.395e-03 pH = 3.191 Charge balance pe = 12.633 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 400 + Specific Conductance (µS/cm, 75°C) = 388 Density (g/cm³) = 1.00307 Volume (L) = 1.02174 - Viscosity (mPa s) = 0.39551 + Viscosity (mPa s) = 0.40136 Activity of water = 0.989 Ionic strength (mol/kgw) = 6.654e-04 Mass of water (kg) = 1.000e+00 @@ -5418,10 +5418,10 @@ Mtg(g) 2.69 4.887e+02 0.911 1.348e+01 1.348e+01 1.042e-03 pH = 3.155 Charge balance pe = 12.667 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 432 + Specific Conductance (µS/cm, 75°C) = 419 Density (g/cm³) = 1.00625 Volume (L) = 1.02119 - Viscosity (mPa s) = 0.39741 + Viscosity (mPa s) = 0.40398 Activity of water = 0.988 Ionic strength (mol/kgw) = 7.225e-04 Mass of water (kg) = 1.000e+00 @@ -5527,10 +5527,10 @@ Mtg(g) 2.72 5.191e+02 0.954 1.348e+01 1.348e+01 8.029e-04 pH = 3.121 Charge balance pe = 12.700 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 466 + Specific Conductance (µS/cm, 75°C) = 450 Density (g/cm³) = 1.00983 Volume (L) = 1.02017 - Viscosity (mPa s) = 0.39966 + Viscosity (mPa s) = 0.40693 Activity of water = 0.987 Ionic strength (mol/kgw) = 7.818e-04 Mass of water (kg) = 1.000e+00 @@ -5636,10 +5636,10 @@ Mtg(g) 2.74 5.559e+02 1.012 1.348e+01 1.348e+01 6.941e-04 pH = 3.088 Charge balance pe = 12.732 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 502 + Specific Conductance (µS/cm, 75°C) = 483 Density (g/cm³) = 1.01388 Volume (L) = 1.01862 - Viscosity (mPa s) = 0.40232 + Viscosity (mPa s) = 0.41031 Activity of water = 0.986 Ionic strength (mol/kgw) = 8.454e-04 Mass of water (kg) = 1.000e+00 @@ -5745,10 +5745,10 @@ Mtg(g) 2.78 6.003e+02 1.090 1.348e+01 1.348e+01 7.420e-04 pH = 3.054 Charge balance pe = 12.764 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 541 + Specific Conductance (µS/cm, 75°C) = 519 Density (g/cm³) = 1.01852 Volume (L) = 1.01649 - Viscosity (mPa s) = 0.40550 + Viscosity (mPa s) = 0.41424 Activity of water = 0.985 Ionic strength (mol/kgw) = 9.152e-04 Mass of water (kg) = 1.000e+00 @@ -5854,10 +5854,10 @@ Mtg(g) 2.82 6.539e+02 1.198 1.348e+01 1.348e+01 9.840e-04 pH = 3.018 Charge balance pe = 12.797 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 585 + Specific Conductance (µS/cm, 75°C) = 559 Density (g/cm³) = 1.02383 Volume (L) = 1.01367 - Viscosity (mPa s) = 0.40931 + Viscosity (mPa s) = 0.41885 Activity of water = 0.984 Ionic strength (mol/kgw) = 9.936e-04 Mass of water (kg) = 1.000e+00 @@ -5963,10 +5963,10 @@ Mtg(g) 2.86 7.189e+02 1.352 1.348e+01 1.348e+01 1.472e-03 pH = 2.981 Charge balance pe = 12.831 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 636 + Specific Conductance (µS/cm, 75°C) = 605 Density (g/cm³) = 1.02992 Volume (L) = 1.01009 - Viscosity (mPa s) = 0.41390 + Viscosity (mPa s) = 0.42430 Activity of water = 0.983 Ionic strength (mol/kgw) = 1.083e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/phi_CO2-CH4_GP_101.sel b/mytest/phi_CO2-CH4_GP_101.sel index 60975134f..c3949c3c7 100644 --- a/mytest/phi_CO2-CH4_GP_101.sel +++ b/mytest/phi_CO2-CH4_GP_101.sel @@ -1,57 +1,57 @@ Mu SC 0.000000100661 0.0546997340 - 0.000065086880 25.9396226742 - 0.000111892563 44.5295012032 - 0.000144117392 57.2943322460 - 0.000170214199 67.6088831959 - 0.000192677931 76.4696959171 - 0.000212659543 84.3367467167 - 0.000351453457 138.5638056971 - 0.000445266083 174.8206381262 - 0.000521388761 204.1050740629 - 0.000589092109 230.1702690250 - 0.000653477590 255.0872056786 - 0.000718207358 280.3485248002 - 0.000786490803 307.2702463519 - 0.000861627646 337.2138365230 - 0.000947460411 371.7703487848 - 0.001048904849 412.9718765685 - 0.001172709919 463.5774725127 - 0.000000234097 0.1697457188 - 0.000062174936 32.4307431189 - 0.000109762463 57.1611570898 - 0.000142132498 73.9349579208 - 0.000168264384 87.4438831015 - 0.000190726754 99.0305612099 - 0.000210692085 109.3081492533 - 0.000349215656 179.9864148153 - 0.000442656861 226.9739328542 - 0.000518061512 264.5055591916 - 0.000584405216 297.3083360996 - 0.000646439563 327.8719062289 - 0.000707378356 357.8653004093 - 0.000769822436 388.6250293779 - 0.000836207945 421.3893333944 - 0.000909105354 457.4498904638 - 0.000991493062 498.2835832471 - 0.001087079536 545.6968691970 - 0.001200746265 602.0041289684 - 0.000001077676 0.7762111866 - 0.000056166739 34.7294341049 - 0.000101659645 63.0717211258 - 0.000132278731 82.0877468482 - 0.000156939798 97.3635668647 - 0.000178121671 110.4528600906 - 0.000196945248 122.0585346056 - 0.000327737137 201.8865409457 - 0.000416279245 254.9784836390 - 0.000487814546 297.2604316423 - 0.000550588635 333.9310478650 - 0.000608867445 367.6567369211 - 0.000665438340 400.1522883192 - 0.000722451804 432.7125763759 - 0.000781806072 466.4526540433 - 0.000845374934 502.4451719346 - 0.000915183964 541.8203485738 - 0.000993587369 585.8592787155 - 0.001083488194 636.1045495094 + 0.000065086880 25.9071104865 + 0.000111892563 44.3790674504 + 0.000144117392 56.9840132758 + 0.000170214199 67.1085970501 + 0.000192677931 75.7555535070 + 0.000212659543 83.3888988904 + 0.000351453457 134.6126815230 + 0.000445266083 167.2466739509 + 0.000521388761 192.6202308637 + 0.000589092109 214.5693213422 + 0.000653477590 235.1427074767 + 0.000718207358 255.7489480278 + 0.000786490803 277.5711859989 + 0.000861627646 301.7876133572 + 0.000947460411 329.7432831660 + 0.001048904849 363.1381726355 + 0.001172709919 404.2769511300 + 0.000000234097 0.1697457187 + 0.000062174936 32.4056193619 + 0.000109762463 57.0517492991 + 0.000142132498 73.7167786615 + 0.000168264384 87.0994342924 + 0.000190726754 98.5459142941 + 0.000210692085 108.6716836023 + 0.000349215656 177.4338293578 + 0.000442656861 222.1177799944 + 0.000518061512 257.1512360421 + 0.000584405216 287.3157397097 + 0.000646439563 315.0970073329 + 0.000707378356 342.1263259378 + 0.000769822436 369.6772407100 + 0.000836207945 398.9010943600 + 0.000909105354 430.9753307466 + 0.000991493062 467.2276954810 + 0.001087079536 509.2683978134 + 0.001200746265 559.1507870192 + 0.000001077676 0.7762111840 + 0.000056166739 34.7055929095 + 0.000101659645 62.9744193584 + 0.000132278731 81.9017381644 + 0.000156939798 97.0780324364 + 0.000178121671 110.0591934197 + 0.000196945248 121.5495449258 + 0.000327737137 199.9749435560 + 0.000416279245 251.4124238770 + 0.000487814546 291.9030799675 + 0.000550588635 326.6779552082 + 0.000608867445 358.4007764733 + 0.000665438340 388.7631611215 + 0.000722451804 419.0215263662 + 0.000781806072 450.2382190999 + 0.000845374934 483.4173739407 + 0.000915183964 519.6010868150 + 0.000993587369 559.9563612785 + 0.001083488194 605.8756878808 diff --git a/mytest/phi_Duan_PR.out b/mytest/phi_Duan_PR.out index 1d5be2bd7..b5731b987 100644 --- a/mytest/phi_Duan_PR.out +++ b/mytest/phi_Duan_PR.out @@ -142,7 +142,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 50 Density (g/cm³) = 0.99741 Volume (L) = 1.00425 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.89286 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.303e-04 Mass of water (kg) = 1.000e+00 @@ -217,10 +217,10 @@ Initial solution 1. pH = 3.276 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 201 + Specific Conductance (µS/cm, 25°C) = 181 Density (g/cm³) = 1.00321 Volume (L) = 1.02540 - Viscosity (mPa s) = 0.89027 + Viscosity (mPa s) = 0.93559 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.430e-04 Mass of water (kg) = 1.000e+00 @@ -295,10 +295,10 @@ Initial solution 1. pH = 3.160 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 255 + Specific Conductance (µS/cm, 25°C) = 214 Density (g/cm³) = 1.00765 Volume (L) = 1.04221 - Viscosity (mPa s) = 0.89034 + Viscosity (mPa s) = 0.96886 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.120e-04 Mass of water (kg) = 1.000e+00 @@ -373,10 +373,10 @@ Initial solution 1. pH = 3.106 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 283 + Specific Conductance (µS/cm, 25°C) = 226 Density (g/cm³) = 1.01073 Volume (L) = 1.05420 - Viscosity (mPa s) = 0.89037 + Viscosity (mPa s) = 0.99235 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.081e-04 Mass of water (kg) = 1.000e+00 @@ -451,10 +451,10 @@ Initial solution 1. pH = 3.092 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 291 + Specific Conductance (µS/cm, 25°C) = 228 Density (g/cm³) = 1.01166 Volume (L) = 1.05786 - Viscosity (mPa s) = 0.89038 + Viscosity (mPa s) = 0.99948 Activity of water = 0.974 Ionic strength (mol/kgw) = 8.348e-04 Mass of water (kg) = 1.000e+00 @@ -529,10 +529,10 @@ Initial solution 1. pH = 3.082 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 296 + Specific Conductance (µS/cm, 25°C) = 230 Density (g/cm³) = 1.01236 Volume (L) = 1.06067 - Viscosity (mPa s) = 0.89039 + Viscosity (mPa s) = 1.00494 Activity of water = 0.972 Ionic strength (mol/kgw) = 8.545e-04 Mass of water (kg) = 1.000e+00 @@ -607,10 +607,10 @@ Initial solution 1. pH = 3.073 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 301 + Specific Conductance (µS/cm, 25°C) = 231 Density (g/cm³) = 1.01306 Volume (L) = 1.06344 - Viscosity (mPa s) = 0.89040 + Viscosity (mPa s) = 1.01033 Activity of water = 0.971 Ionic strength (mol/kgw) = 8.734e-04 Mass of water (kg) = 1.000e+00 @@ -685,10 +685,10 @@ Initial solution 1. pH = 3.064 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 306 + Specific Conductance (µS/cm, 25°C) = 232 Density (g/cm³) = 1.01375 Volume (L) = 1.06624 - Viscosity (mPa s) = 0.89040 + Viscosity (mPa s) = 1.01575 Activity of water = 0.970 Ionic strength (mol/kgw) = 8.919e-04 Mass of water (kg) = 1.000e+00 @@ -763,10 +763,10 @@ Initial solution 1. pH = 3.055 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 310 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01445 Volume (L) = 1.06907 - Viscosity (mPa s) = 0.89041 + Viscosity (mPa s) = 1.02124 Activity of water = 0.968 Ionic strength (mol/kgw) = 9.102e-04 Mass of water (kg) = 1.000e+00 @@ -841,10 +841,10 @@ Initial solution 1. pH = 3.047 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 315 + Specific Conductance (µS/cm, 25°C) = 234 Density (g/cm³) = 1.01516 Volume (L) = 1.07195 - Viscosity (mPa s) = 0.89042 + Viscosity (mPa s) = 1.02681 Activity of water = 0.967 Ionic strength (mol/kgw) = 9.283e-04 Mass of water (kg) = 1.000e+00 @@ -919,10 +919,10 @@ Initial solution 1. pH = 3.038 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 319 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01588 Volume (L) = 1.07490 - Viscosity (mPa s) = 0.89043 + Viscosity (mPa s) = 1.03249 Activity of water = 0.966 Ionic strength (mol/kgw) = 9.463e-04 Mass of water (kg) = 1.000e+00 @@ -997,10 +997,10 @@ Initial solution 1. pH = 3.030 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 323 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01662 Volume (L) = 1.07792 - Viscosity (mPa s) = 0.89043 + Viscosity (mPa s) = 1.03830 Activity of water = 0.964 Ionic strength (mol/kgw) = 9.643e-04 Mass of water (kg) = 1.000e+00 @@ -1075,10 +1075,10 @@ Initial solution 1. pH = 3.022 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 327 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01737 Volume (L) = 1.08101 - Viscosity (mPa s) = 0.89044 + Viscosity (mPa s) = 1.04425 Activity of water = 0.963 Ionic strength (mol/kgw) = 9.822e-04 Mass of water (kg) = 1.000e+00 @@ -1153,10 +1153,10 @@ Initial solution 1. pH = 3.015 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 331 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01813 Volume (L) = 1.08418 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 1.05034 Activity of water = 0.961 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.000e+00 @@ -1231,10 +1231,10 @@ Initial solution 1. pH = 3.007 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 335 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01891 Volume (L) = 1.08745 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 1.05660 Activity of water = 0.960 Ionic strength (mol/kgw) = 1.018e-03 Mass of water (kg) = 1.000e+00 @@ -1309,10 +1309,10 @@ Initial solution 1. pH = 3.000 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 339 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01971 Volume (L) = 1.09080 - Viscosity (mPa s) = 0.89046 + Viscosity (mPa s) = 1.06302 Activity of water = 0.958 Ionic strength (mol/kgw) = 1.036e-03 Mass of water (kg) = 1.000e+00 @@ -1387,10 +1387,10 @@ Initial solution 1. pH = 2.992 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 343 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.02053 Volume (L) = 1.09426 - Viscosity (mPa s) = 0.89047 + Viscosity (mPa s) = 1.06961 Activity of water = 0.957 Ionic strength (mol/kgw) = 1.054e-03 Mass of water (kg) = 1.000e+00 @@ -1465,10 +1465,10 @@ Initial solution 1. pH = 2.985 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 346 + Specific Conductance (µS/cm, 25°C) = 234 Density (g/cm³) = 1.02136 Volume (L) = 1.09783 - Viscosity (mPa s) = 0.89047 + Viscosity (mPa s) = 1.07642 Activity of water = 0.955 Ionic strength (mol/kgw) = 1.073e-03 Mass of water (kg) = 1.000e+00 @@ -1543,10 +1543,10 @@ Initial solution 1. pH = 2.978 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 350 + Specific Conductance (µS/cm, 25°C) = 234 Density (g/cm³) = 1.02222 Volume (L) = 1.10149 - Viscosity (mPa s) = 0.89048 + Viscosity (mPa s) = 1.08339 Activity of water = 0.953 Ionic strength (mol/kgw) = 1.091e-03 Mass of water (kg) = 1.000e+00 @@ -1621,10 +1621,10 @@ Initial solution 1. pH = 2.970 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 353 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.02310 Volume (L) = 1.10527 - Viscosity (mPa s) = 0.89049 + Viscosity (mPa s) = 1.09057 Activity of water = 0.952 Ionic strength (mol/kgw) = 1.109e-03 Mass of water (kg) = 1.000e+00 @@ -1699,10 +1699,10 @@ Initial solution 1. pH = 2.963 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 357 + Specific Conductance (µS/cm, 25°C) = 232 Density (g/cm³) = 1.02400 Volume (L) = 1.10919 - Viscosity (mPa s) = 0.89050 + Viscosity (mPa s) = 1.09800 Activity of water = 0.950 Ionic strength (mol/kgw) = 1.128e-03 Mass of water (kg) = 1.000e+00 @@ -1777,10 +1777,10 @@ Initial solution 1. pH = 2.956 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 360 + Specific Conductance (µS/cm, 25°C) = 231 Density (g/cm³) = 1.02492 Volume (L) = 1.11322 - Viscosity (mPa s) = 0.89050 + Viscosity (mPa s) = 1.10561 Activity of water = 0.948 Ionic strength (mol/kgw) = 1.146e-03 Mass of water (kg) = 1.000e+00 @@ -1855,10 +1855,10 @@ Initial solution 1. pH = 2.950 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 363 + Specific Conductance (µS/cm, 25°C) = 230 Density (g/cm³) = 1.02586 Volume (L) = 1.11736 - Viscosity (mPa s) = 0.89051 + Viscosity (mPa s) = 1.11345 Activity of water = 0.946 Ionic strength (mol/kgw) = 1.165e-03 Mass of water (kg) = 1.000e+00 @@ -1933,10 +1933,10 @@ Initial solution 1. pH = 2.943 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 366 + Specific Conductance (µS/cm, 25°C) = 228 Density (g/cm³) = 1.02683 Volume (L) = 1.12167 - Viscosity (mPa s) = 0.89052 + Viscosity (mPa s) = 1.12155 Activity of water = 0.944 Ionic strength (mol/kgw) = 1.184e-03 Mass of water (kg) = 1.000e+00 @@ -2011,10 +2011,10 @@ Initial solution 1. pH = 2.936 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 369 + Specific Conductance (µS/cm, 25°C) = 227 Density (g/cm³) = 1.02781 Volume (L) = 1.12609 - Viscosity (mPa s) = 0.89052 + Viscosity (mPa s) = 1.12988 Activity of water = 0.942 Ionic strength (mol/kgw) = 1.203e-03 Mass of water (kg) = 1.000e+00 @@ -2181,10 +2181,10 @@ Initial solution 1. pH = 3.979 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 55 + Specific Conductance (µS/cm, 50°C) = 54 Density (g/cm³) = 0.98822 Volume (L) = 1.01288 - Viscosity (mPa s) = 0.54656 + Viscosity (mPa s) = 0.54719 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.063e-04 Mass of water (kg) = 1.000e+00 @@ -2259,10 +2259,10 @@ Initial solution 1. pH = 3.358 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 226 + Specific Conductance (µS/cm, 50°C) = 218 Density (g/cm³) = 0.99134 Volume (L) = 1.02585 - Viscosity (mPa s) = 0.54667 + Viscosity (mPa s) = 0.55572 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.499e-04 Mass of water (kg) = 1.000e+00 @@ -2337,10 +2337,10 @@ Initial solution 1. pH = 3.234 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 295 + Specific Conductance (µS/cm, 50°C) = 278 Density (g/cm³) = 0.99396 Volume (L) = 1.03703 - Viscosity (mPa s) = 0.54672 + Viscosity (mPa s) = 0.56271 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.004e-04 Mass of water (kg) = 1.000e+00 @@ -2415,10 +2415,10 @@ Initial solution 1. pH = 3.169 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 336 + Specific Conductance (µS/cm, 50°C) = 311 Density (g/cm³) = 0.99610 Volume (L) = 1.04632 - Viscosity (mPa s) = 0.54675 + Viscosity (mPa s) = 0.56840 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.976e-04 Mass of water (kg) = 1.000e+00 @@ -2493,10 +2493,10 @@ Initial solution 1. pH = 3.131 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 363 + Specific Conductance (µS/cm, 50°C) = 330 Density (g/cm³) = 0.99774 Volume (L) = 1.05360 - Viscosity (mPa s) = 0.54677 + Viscosity (mPa s) = 0.57280 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.633e-04 Mass of water (kg) = 1.000e+00 @@ -2571,10 +2571,10 @@ Initial solution 1. pH = 3.108 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 379 + Specific Conductance (µS/cm, 50°C) = 341 Density (g/cm³) = 0.99890 Volume (L) = 1.05878 - Viscosity (mPa s) = 0.54678 + Viscosity (mPa s) = 0.57590 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.058e-04 Mass of water (kg) = 1.000e+00 @@ -2649,10 +2649,10 @@ Initial solution 1. pH = 3.093 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 390 + Specific Conductance (µS/cm, 50°C) = 348 Density (g/cm³) = 0.99971 Volume (L) = 1.06243 - Viscosity (mPa s) = 0.54679 + Viscosity (mPa s) = 0.57808 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.340e-04 Mass of water (kg) = 1.000e+00 @@ -2727,10 +2727,10 @@ Initial solution 1. pH = 3.081 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 398 + Specific Conductance (µS/cm, 50°C) = 353 Density (g/cm³) = 1.00041 Volume (L) = 1.06559 - Viscosity (mPa s) = 0.54679 + Viscosity (mPa s) = 0.57995 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.574e-04 Mass of water (kg) = 1.000e+00 @@ -2805,10 +2805,10 @@ Initial solution 1. pH = 3.071 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 406 + Specific Conductance (µS/cm, 50°C) = 358 Density (g/cm³) = 1.00106 Volume (L) = 1.06860 - Viscosity (mPa s) = 0.54680 + Viscosity (mPa s) = 0.58173 Activity of water = 0.974 Ionic strength (mol/kgw) = 8.789e-04 Mass of water (kg) = 1.000e+00 @@ -2883,10 +2883,10 @@ Initial solution 1. pH = 3.061 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 413 + Specific Conductance (µS/cm, 50°C) = 362 Density (g/cm³) = 1.00171 Volume (L) = 1.07156 - Viscosity (mPa s) = 0.54681 + Viscosity (mPa s) = 0.58347 Activity of water = 0.973 Ionic strength (mol/kgw) = 8.993e-04 Mass of water (kg) = 1.000e+00 @@ -2961,10 +2961,10 @@ Initial solution 1. pH = 3.052 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 420 + Specific Conductance (µS/cm, 50°C) = 366 Density (g/cm³) = 1.00235 Volume (L) = 1.07452 - Viscosity (mPa s) = 0.54681 + Viscosity (mPa s) = 0.58521 Activity of water = 0.972 Ionic strength (mol/kgw) = 9.190e-04 Mass of water (kg) = 1.000e+00 @@ -3039,10 +3039,10 @@ Initial solution 1. pH = 3.043 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 426 + Specific Conductance (µS/cm, 50°C) = 369 Density (g/cm³) = 1.00300 Volume (L) = 1.07752 - Viscosity (mPa s) = 0.54682 + Viscosity (mPa s) = 0.58696 Activity of water = 0.971 Ionic strength (mol/kgw) = 9.384e-04 Mass of water (kg) = 1.000e+00 @@ -3117,10 +3117,10 @@ Initial solution 1. pH = 3.034 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 432 + Specific Conductance (µS/cm, 50°C) = 372 Density (g/cm³) = 1.00365 Volume (L) = 1.08055 - Viscosity (mPa s) = 0.54682 + Viscosity (mPa s) = 0.58874 Activity of water = 0.969 Ionic strength (mol/kgw) = 9.575e-04 Mass of water (kg) = 1.000e+00 @@ -3195,10 +3195,10 @@ Initial solution 1. pH = 3.026 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 438 + Specific Conductance (µS/cm, 50°C) = 375 Density (g/cm³) = 1.00431 Volume (L) = 1.08365 - Viscosity (mPa s) = 0.54683 + Viscosity (mPa s) = 0.59054 Activity of water = 0.968 Ionic strength (mol/kgw) = 9.763e-04 Mass of water (kg) = 1.000e+00 @@ -3273,10 +3273,10 @@ Initial solution 1. pH = 3.018 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 444 + Specific Conductance (µS/cm, 50°C) = 378 Density (g/cm³) = 1.00498 Volume (L) = 1.08683 - Viscosity (mPa s) = 0.54683 + Viscosity (mPa s) = 0.59238 Activity of water = 0.967 Ionic strength (mol/kgw) = 9.950e-04 Mass of water (kg) = 1.000e+00 @@ -3351,10 +3351,10 @@ Initial solution 1. pH = 3.010 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 450 + Specific Conductance (µS/cm, 50°C) = 380 Density (g/cm³) = 1.00566 Volume (L) = 1.09007 - Viscosity (mPa s) = 0.54684 + Viscosity (mPa s) = 0.59425 Activity of water = 0.965 Ionic strength (mol/kgw) = 1.014e-03 Mass of water (kg) = 1.000e+00 @@ -3429,10 +3429,10 @@ Initial solution 1. pH = 3.002 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 455 + Specific Conductance (µS/cm, 50°C) = 382 Density (g/cm³) = 1.00636 Volume (L) = 1.09340 - Viscosity (mPa s) = 0.54684 + Viscosity (mPa s) = 0.59617 Activity of water = 0.964 Ionic strength (mol/kgw) = 1.032e-03 Mass of water (kg) = 1.000e+00 @@ -3507,10 +3507,10 @@ Initial solution 1. pH = 2.994 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 460 + Specific Conductance (µS/cm, 50°C) = 384 Density (g/cm³) = 1.00707 Volume (L) = 1.09684 - Viscosity (mPa s) = 0.54685 + Viscosity (mPa s) = 0.59814 Activity of water = 0.962 Ionic strength (mol/kgw) = 1.051e-03 Mass of water (kg) = 1.000e+00 @@ -3585,10 +3585,10 @@ Initial solution 1. pH = 2.987 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 465 + Specific Conductance (µS/cm, 50°C) = 386 Density (g/cm³) = 1.00780 Volume (L) = 1.10036 - Viscosity (mPa s) = 0.54686 + Viscosity (mPa s) = 0.60016 Activity of water = 0.961 Ionic strength (mol/kgw) = 1.069e-03 Mass of water (kg) = 1.000e+00 @@ -3663,10 +3663,10 @@ Initial solution 1. pH = 2.979 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 470 + Specific Conductance (µS/cm, 50°C) = 387 Density (g/cm³) = 1.00854 Volume (L) = 1.10399 - Viscosity (mPa s) = 0.54686 + Viscosity (mPa s) = 0.60223 Activity of water = 0.959 Ionic strength (mol/kgw) = 1.088e-03 Mass of water (kg) = 1.000e+00 @@ -3741,10 +3741,10 @@ Initial solution 1. pH = 2.972 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 475 + Specific Conductance (µS/cm, 50°C) = 389 Density (g/cm³) = 1.00931 Volume (L) = 1.10775 - Viscosity (mPa s) = 0.54687 + Viscosity (mPa s) = 0.60436 Activity of water = 0.958 Ionic strength (mol/kgw) = 1.106e-03 Mass of water (kg) = 1.000e+00 @@ -3819,10 +3819,10 @@ Initial solution 1. pH = 2.965 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 480 + Specific Conductance (µS/cm, 50°C) = 390 Density (g/cm³) = 1.01009 Volume (L) = 1.11160 - Viscosity (mPa s) = 0.54687 + Viscosity (mPa s) = 0.60655 Activity of water = 0.956 Ionic strength (mol/kgw) = 1.125e-03 Mass of water (kg) = 1.000e+00 @@ -3897,10 +3897,10 @@ Initial solution 1. pH = 2.958 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 484 + Specific Conductance (µS/cm, 50°C) = 390 Density (g/cm³) = 1.01089 Volume (L) = 1.11558 - Viscosity (mPa s) = 0.54688 + Viscosity (mPa s) = 0.60879 Activity of water = 0.954 Ionic strength (mol/kgw) = 1.144e-03 Mass of water (kg) = 1.000e+00 @@ -3975,10 +3975,10 @@ Initial solution 1. pH = 2.951 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 488 + Specific Conductance (µS/cm, 50°C) = 391 Density (g/cm³) = 1.01171 Volume (L) = 1.11970 - Viscosity (mPa s) = 0.54688 + Viscosity (mPa s) = 0.61111 Activity of water = 0.953 Ionic strength (mol/kgw) = 1.162e-03 Mass of water (kg) = 1.000e+00 @@ -4053,10 +4053,10 @@ Initial solution 1. pH = 2.944 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 50°C) = 492 + Specific Conductance (µS/cm, 50°C) = 391 Density (g/cm³) = 1.01255 Volume (L) = 1.12394 - Viscosity (mPa s) = 0.54689 + Viscosity (mPa s) = 0.61349 Activity of water = 0.951 Ionic strength (mol/kgw) = 1.181e-03 Mass of water (kg) = 1.000e+00 @@ -4226,7 +4226,7 @@ Initial solution 1. Specific Conductance (µS/cm, 75°C) = 53 Density (g/cm³) = 0.97495 Volume (L) = 1.02636 - Viscosity (mPa s) = 0.37745 + Viscosity (mPa s) = 0.37770 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.456e-05 Mass of water (kg) = 1.000e+00 @@ -4301,10 +4301,10 @@ Initial solution 1. pH = 3.452 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 222 + Specific Conductance (µS/cm, 75°C) = 218 Density (g/cm³) = 0.97691 Volume (L) = 1.03589 - Viscosity (mPa s) = 0.37752 + Viscosity (mPa s) = 0.38046 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.614e-04 Mass of water (kg) = 1.000e+00 @@ -4379,10 +4379,10 @@ Initial solution 1. pH = 3.323 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 294 + Specific Conductance (µS/cm, 75°C) = 286 Density (g/cm³) = 0.97867 Volume (L) = 1.04459 - Viscosity (mPa s) = 0.37755 + Viscosity (mPa s) = 0.38270 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.879e-04 Mass of water (kg) = 1.000e+00 @@ -4457,10 +4457,10 @@ Initial solution 1. pH = 3.253 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 341 + Specific Conductance (µS/cm, 75°C) = 329 Density (g/cm³) = 0.98021 Volume (L) = 1.05239 - Viscosity (mPa s) = 0.37758 + Viscosity (mPa s) = 0.38463 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.745e-04 Mass of water (kg) = 1.000e+00 @@ -4535,10 +4535,10 @@ Initial solution 1. pH = 3.208 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 374 + Specific Conductance (µS/cm, 75°C) = 358 Density (g/cm³) = 0.98155 Volume (L) = 1.05924 - Viscosity (mPa s) = 0.37759 + Viscosity (mPa s) = 0.38628 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.386e-04 Mass of water (kg) = 1.000e+00 @@ -4613,10 +4613,10 @@ Initial solution 1. pH = 3.176 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 398 + Specific Conductance (µS/cm, 75°C) = 378 Density (g/cm³) = 0.98270 Volume (L) = 1.06516 - Viscosity (mPa s) = 0.37760 + Viscosity (mPa s) = 0.38768 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.875e-04 Mass of water (kg) = 1.000e+00 @@ -4691,10 +4691,10 @@ Initial solution 1. pH = 3.153 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 416 + Specific Conductance (µS/cm, 75°C) = 393 Density (g/cm³) = 0.98366 Volume (L) = 1.07020 - Viscosity (mPa s) = 0.37761 + Viscosity (mPa s) = 0.38886 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.256e-04 Mass of water (kg) = 1.000e+00 @@ -4769,10 +4769,10 @@ Initial solution 1. pH = 3.136 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 430 + Specific Conductance (µS/cm, 75°C) = 404 Density (g/cm³) = 0.98449 Volume (L) = 1.07456 - Viscosity (mPa s) = 0.37762 + Viscosity (mPa s) = 0.38987 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.564e-04 Mass of water (kg) = 1.000e+00 @@ -4847,10 +4847,10 @@ Initial solution 1. pH = 3.121 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 442 + Specific Conductance (µS/cm, 75°C) = 413 Density (g/cm³) = 0.98522 Volume (L) = 1.07847 - Viscosity (mPa s) = 0.37763 + Viscosity (mPa s) = 0.39076 Activity of water = 0.977 Ionic strength (mol/kgw) = 7.824e-04 Mass of water (kg) = 1.000e+00 @@ -4925,10 +4925,10 @@ Initial solution 1. pH = 3.109 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 452 + Specific Conductance (µS/cm, 75°C) = 421 Density (g/cm³) = 0.98591 Volume (L) = 1.08214 - Viscosity (mPa s) = 0.37763 + Viscosity (mPa s) = 0.39159 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.057e-04 Mass of water (kg) = 1.000e+00 @@ -5003,10 +5003,10 @@ Initial solution 1. pH = 3.097 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 461 + Specific Conductance (µS/cm, 75°C) = 427 Density (g/cm³) = 0.98657 Volume (L) = 1.08569 - Viscosity (mPa s) = 0.37764 + Viscosity (mPa s) = 0.39239 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.272e-04 Mass of water (kg) = 1.000e+00 @@ -5081,10 +5081,10 @@ Initial solution 1. pH = 3.087 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 469 + Specific Conductance (µS/cm, 75°C) = 433 Density (g/cm³) = 0.98721 Volume (L) = 1.08919 - Viscosity (mPa s) = 0.37764 + Viscosity (mPa s) = 0.39318 Activity of water = 0.973 Ionic strength (mol/kgw) = 8.476e-04 Mass of water (kg) = 1.000e+00 @@ -5159,10 +5159,10 @@ Initial solution 1. pH = 3.077 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 477 + Specific Conductance (µS/cm, 75°C) = 439 Density (g/cm³) = 0.98785 Volume (L) = 1.09269 - Viscosity (mPa s) = 0.37765 + Viscosity (mPa s) = 0.39396 Activity of water = 0.972 Ionic strength (mol/kgw) = 8.673e-04 Mass of water (kg) = 1.000e+00 @@ -5237,10 +5237,10 @@ Initial solution 1. pH = 3.068 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 484 + Specific Conductance (µS/cm, 75°C) = 444 Density (g/cm³) = 0.98849 Volume (L) = 1.09623 - Viscosity (mPa s) = 0.37765 + Viscosity (mPa s) = 0.39474 Activity of water = 0.970 Ionic strength (mol/kgw) = 8.863e-04 Mass of water (kg) = 1.000e+00 @@ -5315,10 +5315,10 @@ Initial solution 1. pH = 3.059 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 491 + Specific Conductance (µS/cm, 75°C) = 448 Density (g/cm³) = 0.98914 Volume (L) = 1.09981 - Viscosity (mPa s) = 0.37766 + Viscosity (mPa s) = 0.39553 Activity of water = 0.969 Ionic strength (mol/kgw) = 9.050e-04 Mass of water (kg) = 1.000e+00 @@ -5393,10 +5393,10 @@ Initial solution 1. pH = 3.050 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 497 + Specific Conductance (µS/cm, 75°C) = 453 Density (g/cm³) = 0.98980 Volume (L) = 1.10346 - Viscosity (mPa s) = 0.37766 + Viscosity (mPa s) = 0.39633 Activity of water = 0.968 Ionic strength (mol/kgw) = 9.234e-04 Mass of water (kg) = 1.000e+00 @@ -5471,10 +5471,10 @@ Initial solution 1. pH = 3.042 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 504 + Specific Conductance (µS/cm, 75°C) = 457 Density (g/cm³) = 0.99046 Volume (L) = 1.10719 - Viscosity (mPa s) = 0.37767 + Viscosity (mPa s) = 0.39714 Activity of water = 0.966 Ionic strength (mol/kgw) = 9.415e-04 Mass of water (kg) = 1.000e+00 @@ -5549,10 +5549,10 @@ Initial solution 1. pH = 3.034 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 510 + Specific Conductance (µS/cm, 75°C) = 460 Density (g/cm³) = 0.99114 Volume (L) = 1.11102 - Viscosity (mPa s) = 0.37767 + Viscosity (mPa s) = 0.39797 Activity of water = 0.965 Ionic strength (mol/kgw) = 9.595e-04 Mass of water (kg) = 1.000e+00 @@ -5627,10 +5627,10 @@ Initial solution 1. pH = 3.026 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 516 + Specific Conductance (µS/cm, 75°C) = 464 Density (g/cm³) = 0.99183 Volume (L) = 1.11494 - Viscosity (mPa s) = 0.37768 + Viscosity (mPa s) = 0.39881 Activity of water = 0.963 Ionic strength (mol/kgw) = 9.773e-04 Mass of water (kg) = 1.000e+00 @@ -5705,10 +5705,10 @@ Initial solution 1. pH = 3.018 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 521 + Specific Conductance (µS/cm, 75°C) = 467 Density (g/cm³) = 0.99254 Volume (L) = 1.11898 - Viscosity (mPa s) = 0.37768 + Viscosity (mPa s) = 0.39967 Activity of water = 0.962 Ionic strength (mol/kgw) = 9.950e-04 Mass of water (kg) = 1.000e+00 @@ -5783,10 +5783,10 @@ Initial solution 1. pH = 3.011 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 526 + Specific Conductance (µS/cm, 75°C) = 469 Density (g/cm³) = 0.99326 Volume (L) = 1.12316 - Viscosity (mPa s) = 0.37769 + Viscosity (mPa s) = 0.40056 Activity of water = 0.960 Ionic strength (mol/kgw) = 1.013e-03 Mass of water (kg) = 1.000e+00 @@ -5861,10 +5861,10 @@ Initial solution 1. pH = 3.004 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 531 + Specific Conductance (µS/cm, 75°C) = 472 Density (g/cm³) = 0.99400 Volume (L) = 1.12744 - Viscosity (mPa s) = 0.37769 + Viscosity (mPa s) = 0.40147 Activity of water = 0.958 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 1.000e+00 @@ -5939,10 +5939,10 @@ Initial solution 1. pH = 2.996 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 536 + Specific Conductance (µS/cm, 75°C) = 474 Density (g/cm³) = 0.99475 Volume (L) = 1.13185 - Viscosity (mPa s) = 0.37769 + Viscosity (mPa s) = 0.40239 Activity of water = 0.957 Ionic strength (mol/kgw) = 1.048e-03 Mass of water (kg) = 1.000e+00 @@ -6017,10 +6017,10 @@ Initial solution 1. pH = 2.989 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 541 + Specific Conductance (µS/cm, 75°C) = 476 Density (g/cm³) = 0.99552 Volume (L) = 1.13643 - Viscosity (mPa s) = 0.37770 + Viscosity (mPa s) = 0.40335 Activity of water = 0.955 Ionic strength (mol/kgw) = 1.065e-03 Mass of water (kg) = 1.000e+00 @@ -6095,10 +6095,10 @@ Initial solution 1. pH = 2.982 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 75°C) = 545 + Specific Conductance (µS/cm, 75°C) = 477 Density (g/cm³) = 0.99631 Volume (L) = 1.14113 - Viscosity (mPa s) = 0.37770 + Viscosity (mPa s) = 0.40433 Activity of water = 0.953 Ionic strength (mol/kgw) = 1.083e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/phi_Duan_PR_101.sel b/mytest/phi_Duan_PR_101.sel index 1a68dd135..b8310efb8 100644 --- a/mytest/phi_Duan_PR_101.sel +++ b/mytest/phi_Duan_PR_101.sel @@ -1,79 +1,79 @@ Mu SC 0.000000100661 0.0546997340 - 0.000130282981 50.6847982880 - 0.000543023971 201.8394874583 - 0.000712010376 255.9142416293 - 0.000808149399 283.7473728551 - 0.000834754311 291.0256420474 - 0.000854486210 296.2984063961 - 0.000873415621 301.2541008310 - 0.000891943831 306.0054832367 - 0.000910218184 310.5937295330 - 0.000928314126 315.0394864343 - 0.000946325829 319.3663045423 - 0.000964297675 323.5841832364 - 0.000982241929 327.6949068265 - 0.001000197577 331.7059025113 - 0.001018218415 335.6268937925 - 0.001036233403 339.4402776427 - 0.001054321591 343.1605602382 - 0.001072545413 346.7970528330 - 0.001090779760 350.3218012121 - 0.001109130160 353.7523644707 - 0.001127662272 357.0964905682 - 0.001146200197 360.3189303235 - 0.001164826330 363.4313895481 - 0.001183654762 366.4482841591 - 0.001202517933 369.3386062497 + 0.000130282981 50.3549219526 + 0.000543023971 181.8777810529 + 0.000712010376 214.5259921073 + 0.000808149399 226.4534900457 + 0.000834754311 228.8953701896 + 0.000854486210 230.4682334067 + 0.000873415621 231.7878964416 + 0.000891943831 232.9015566713 + 0.000910218184 233.8289778120 + 0.000928314126 234.5816909310 + 0.000946325829 235.1690132502 + 0.000964297675 235.5960093740 + 0.000982241929 235.8659549023 + 0.001000197577 235.9818845507 + 0.001018218415 235.9455529237 + 0.001036233403 235.7588878704 + 0.001054321591 235.4229194267 + 0.001072545413 234.9367755570 + 0.001090779760 234.3050314626 + 0.001109130160 233.5256940294 + 0.001127662272 232.5958349693 + 0.001146200197 231.5256240694 + 0.001164826330 230.3128983914 + 0.001183654762 228.9508468789 + 0.001202517933 227.4530044186 0.000000100661 0.0546997340 - 0.000106328976 55.1099196632 - 0.000449859226 226.3720012926 - 0.000600359693 295.2743915607 - 0.000697613908 336.8166851833 - 0.000763272280 363.2891349154 - 0.000805829020 379.6974097667 - 0.000834041784 390.2288736023 - 0.000857408809 398.7335328698 - 0.000878861638 406.3620946664 - 0.000899262794 413.4529593317 - 0.000919037528 420.1698813156 - 0.000938397456 426.5933488245 - 0.000957451697 432.7646225025 - 0.000976303056 438.7197434377 - 0.000995049050 444.4900182454 - 0.001013645602 450.0618556650 - 0.001032196601 455.4657163800 - 0.001050781997 460.7219790423 - 0.001069287206 465.7957971595 - 0.001087829962 470.7169880901 - 0.001106484296 475.5001893807 - 0.001125080101 480.0980406155 - 0.001143706341 484.5299032987 - 0.001162481638 488.8184343414 - 0.001181242995 492.9214192118 + 0.000106328976 54.9811154380 + 0.000449859226 218.9314185880 + 0.000600359693 278.4725358119 + 0.000697613908 311.2992112821 + 0.000763272280 330.6177300939 + 0.000805829020 341.8320599892 + 0.000834041784 348.6786561155 + 0.000857408809 353.9864023067 + 0.000878861638 358.5652665555 + 0.000899262794 362.6551423185 + 0.000919037528 366.3705764198 + 0.000938397456 369.7684157953 + 0.000957451697 372.8790554489 + 0.000976303056 375.7268100124 + 0.000995049050 378.3304819257 + 0.001013645602 380.6872479031 + 0.001032196601 382.8126767327 + 0.001050781997 384.7151616903 + 0.001069287206 386.3830233218 + 0.001087829962 387.8270459873 + 0.001106484296 389.0498142508 + 0.001125080101 390.0389495986 + 0.001143706341 390.7996454686 + 0.001162481638 391.3335442931 + 0.001181242995 391.6338250687 0.000000100661 0.0546997340 - 0.000084561582 53.1782174827 - 0.000361398912 222.1781345573 - 0.000487935480 294.6207727495 - 0.000574527965 341.5246975107 - 0.000638594496 374.5188810008 - 0.000687540002 398.6094774019 - 0.000725636850 416.6261953858 - 0.000756376132 430.6615399481 - 0.000782449947 442.1961617483 - 0.000805696484 452.1805740353 - 0.000827228966 461.1673908573 - 0.000847642968 469.4473651658 - 0.000867266150 477.1794749685 - 0.000886334146 484.4733318762 - 0.000905027999 491.4082416142 - 0.000923360294 497.9960094655 - 0.000941473608 504.2926664880 - 0.000959473755 510.3357050087 - 0.000977271337 516.0957636465 - 0.000994996504 521.6150697281 - 0.001012731986 526.9157031290 - 0.001030326369 531.9501245911 - 0.001047872816 536.7439331748 - 0.001065489339 541.3242920029 - 0.001083028442 545.6484019475 + 0.000084561582 53.1063313308 + 0.000361398912 218.8187932090 + 0.000487935480 286.8892241032 + 0.000574527965 329.3398381631 + 0.000638594496 358.1726264230 + 0.000687540002 378.5536198582 + 0.000725636850 393.3532011616 + 0.000756376132 404.5780171561 + 0.000782449947 413.5767353997 + 0.000805696484 421.1820164020 + 0.000827228966 427.8655842073 + 0.000847642968 433.8736867133 + 0.000867266150 439.3412803631 + 0.000886334146 444.3594325959 + 0.000905027999 448.9919020204 + 0.000923360294 453.2538645651 + 0.000941473608 457.1873381176 + 0.000959473755 460.8188018554 + 0.000977271337 464.1336580666 + 0.000994996504 467.1589233562 + 0.001012731986 469.9067628251 + 0.001030326369 472.3536169036 + 0.001047872816 474.5139638866 + 0.001065489339 476.3990162737 + 0.001083028442 477.9905893809 diff --git a/mytest/phi_Duan_PR_EQ.out b/mytest/phi_Duan_PR_EQ.out index 0d3abd204..ed7888d2d 100644 --- a/mytest/phi_Duan_PR_EQ.out +++ b/mytest/phi_Duan_PR_EQ.out @@ -208,7 +208,7 @@ CO2(g) 0.04 -1.43 -1.47 1.000e+01 9.963e+00 -3.738e-02 Specific Conductance (µS/cm, 25°C) = 50 Density (g/cm³) = 0.99741 Volume (L) = 1.00424 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.89286 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.303e-04 Mass of water (kg) = 1.000e+00 @@ -351,10 +351,10 @@ CO2(g) 1.27 -0.21 -1.48 1.000e+01 9.367e+00 -6.332e-01 pH = 3.277 Charge balance pe = 2.208 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 201 + Specific Conductance (µS/cm, 25°C) = 182 Density (g/cm³) = 1.00394 Volume (L) = 1.02384 - Viscosity (mPa s) = 0.88999 + Viscosity (mPa s) = 0.93405 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.416e-04 Mass of water (kg) = 1.000e+00 @@ -497,10 +497,10 @@ CO2(g) 1.51 0.02 -1.49 1.000e+01 8.925e+00 -1.075e+00 pH = 3.162 Charge balance pe = 2.446 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 256 + Specific Conductance (µS/cm, 25°C) = 217 Density (g/cm³) = 1.00885 Volume (L) = 1.03814 - Viscosity (mPa s) = 0.88980 + Viscosity (mPa s) = 0.96395 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.084e-04 Mass of water (kg) = 1.000e+00 @@ -643,10 +643,10 @@ CO2(g) 1.62 0.11 -1.50 1.000e+01 8.638e+00 -1.362e+00 pH = 3.109 Charge balance pe = 14.718 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 285 + Specific Conductance (µS/cm, 25°C) = 232 Density (g/cm³) = 1.01227 Volume (L) = 1.04710 - Viscosity (mPa s) = 0.88958 + Viscosity (mPa s) = 0.98312 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.022e-04 Mass of water (kg) = 1.000e+00 @@ -789,10 +789,10 @@ CO2(g) 1.65 0.13 -1.52 1.000e+01 8.583e+00 -1.417e+00 pH = 3.096 Charge balance pe = 2.353 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 293 + Specific Conductance (µS/cm, 25°C) = 236 Density (g/cm³) = 1.01363 Volume (L) = 1.04807 - Viscosity (mPa s) = 0.88935 + Viscosity (mPa s) = 0.98657 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.265e-04 Mass of water (kg) = 1.000e+00 @@ -935,10 +935,10 @@ CO2(g) 1.67 0.14 -1.53 1.000e+01 8.554e+00 -1.446e+00 pH = 3.087 Charge balance pe = 2.451 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 300 + Specific Conductance (µS/cm, 25°C) = 240 Density (g/cm³) = 1.01476 Volume (L) = 1.04816 - Viscosity (mPa s) = 0.88914 + Viscosity (mPa s) = 0.98831 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.438e-04 Mass of water (kg) = 1.000e+00 @@ -1081,10 +1081,10 @@ CO2(g) 1.69 0.15 -1.54 1.000e+01 8.529e+00 -1.471e+00 pH = 3.079 Charge balance pe = 2.345 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 305 + Specific Conductance (µS/cm, 25°C) = 244 Density (g/cm³) = 1.01585 Volume (L) = 1.04812 - Viscosity (mPa s) = 0.88893 + Viscosity (mPa s) = 0.98981 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.602e-04 Mass of water (kg) = 1.000e+00 @@ -1227,10 +1227,10 @@ CO2(g) 1.71 0.15 -1.55 1.000e+01 8.506e+00 -1.494e+00 pH = 3.071 Charge balance pe = 2.691 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 311 + Specific Conductance (µS/cm, 25°C) = 248 Density (g/cm³) = 1.01691 Volume (L) = 1.04801 - Viscosity (mPa s) = 0.88874 + Viscosity (mPa s) = 0.99116 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.761e-04 Mass of water (kg) = 1.000e+00 @@ -1373,10 +1373,10 @@ CO2(g) 1.72 0.16 -1.57 1.000e+01 8.485e+00 -1.515e+00 pH = 3.064 Charge balance pe = 2.859 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 317 + Specific Conductance (µS/cm, 25°C) = 252 Density (g/cm³) = 1.01796 Volume (L) = 1.04783 - Viscosity (mPa s) = 0.88856 + Viscosity (mPa s) = 0.99241 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.916e-04 Mass of water (kg) = 1.000e+00 @@ -1519,10 +1519,10 @@ CO2(g) 1.74 0.16 -1.58 1.000e+01 8.466e+00 -1.534e+00 pH = 3.056 Charge balance pe = 3.004 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 323 + Specific Conductance (µS/cm, 25°C) = 255 Density (g/cm³) = 1.01899 Volume (L) = 1.04761 - Viscosity (mPa s) = 0.88840 + Viscosity (mPa s) = 0.99356 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.069e-04 Mass of water (kg) = 1.000e+00 @@ -1665,10 +1665,10 @@ CO2(g) 1.76 0.17 -1.59 1.000e+01 8.448e+00 -1.552e+00 pH = 3.049 Charge balance pe = 2.856 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 328 + Specific Conductance (µS/cm, 25°C) = 259 Density (g/cm³) = 1.02001 Volume (L) = 1.04735 - Viscosity (mPa s) = 0.88825 + Viscosity (mPa s) = 0.99466 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.219e-04 Mass of water (kg) = 1.000e+00 @@ -1811,10 +1811,10 @@ CO2(g) 1.77 0.17 -1.60 1.000e+01 8.431e+00 -1.569e+00 pH = 3.043 Charge balance pe = 14.810 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 334 + Specific Conductance (µS/cm, 25°C) = 263 Density (g/cm³) = 1.02102 Volume (L) = 1.04706 - Viscosity (mPa s) = 0.88811 + Viscosity (mPa s) = 0.99570 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.367e-04 Mass of water (kg) = 1.000e+00 @@ -1957,10 +1957,10 @@ CO2(g) 1.79 0.18 -1.61 1.000e+01 8.414e+00 -1.586e+00 pH = 3.036 Charge balance pe = 14.473 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 339 + Specific Conductance (µS/cm, 25°C) = 267 Density (g/cm³) = 1.02201 Volume (L) = 1.04675 - Viscosity (mPa s) = 0.88799 + Viscosity (mPa s) = 0.99669 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.514e-04 Mass of water (kg) = 1.000e+00 @@ -2103,10 +2103,10 @@ CO2(g) 1.81 0.18 -1.63 1.000e+01 8.399e+00 -1.601e+00 pH = 3.029 Charge balance pe = 14.833 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 344 + Specific Conductance (µS/cm, 25°C) = 270 Density (g/cm³) = 1.02300 Volume (L) = 1.04640 - Viscosity (mPa s) = 0.88788 + Viscosity (mPa s) = 0.99764 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.660e-04 Mass of water (kg) = 1.000e+00 @@ -2249,10 +2249,10 @@ CO2(g) 1.82 0.18 -1.64 1.000e+01 8.384e+00 -1.616e+00 pH = 3.023 Charge balance pe = 2.517 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 350 + Specific Conductance (µS/cm, 25°C) = 274 Density (g/cm³) = 1.02397 Volume (L) = 1.04604 - Viscosity (mPa s) = 0.88778 + Viscosity (mPa s) = 0.99857 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.805e-04 Mass of water (kg) = 1.000e+00 @@ -2395,10 +2395,10 @@ CO2(g) 1.84 0.19 -1.65 1.000e+01 8.370e+00 -1.630e+00 pH = 3.017 Charge balance pe = 2.810 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 355 + Specific Conductance (µS/cm, 25°C) = 278 Density (g/cm³) = 1.02494 Volume (L) = 1.04566 - Viscosity (mPa s) = 0.88770 + Viscosity (mPa s) = 0.99945 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.949e-04 Mass of water (kg) = 1.000e+00 @@ -2541,10 +2541,10 @@ CO2(g) 1.85 0.19 -1.66 1.000e+01 8.357e+00 -1.643e+00 pH = 3.011 Charge balance pe = 2.658 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 361 + Specific Conductance (µS/cm, 25°C) = 281 Density (g/cm³) = 1.02589 Volume (L) = 1.04526 - Viscosity (mPa s) = 0.88763 + Viscosity (mPa s) = 1.00031 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.009e-03 Mass of water (kg) = 1.000e+00 @@ -2687,10 +2687,10 @@ CO2(g) 1.87 0.19 -1.68 1.000e+01 8.344e+00 -1.656e+00 pH = 3.005 Charge balance pe = 14.664 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 366 + Specific Conductance (µS/cm, 25°C) = 285 Density (g/cm³) = 1.02684 Volume (L) = 1.04486 - Viscosity (mPa s) = 0.88757 + Viscosity (mPa s) = 1.00117 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.024e-03 Mass of water (kg) = 1.000e+00 @@ -2833,10 +2833,10 @@ CO2(g) 1.88 0.20 -1.69 1.000e+01 8.331e+00 -1.669e+00 pH = 2.999 Charge balance pe = 2.448 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 372 + Specific Conductance (µS/cm, 25°C) = 289 Density (g/cm³) = 1.02778 Volume (L) = 1.04443 - Viscosity (mPa s) = 0.88753 + Viscosity (mPa s) = 1.00199 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.038e-03 Mass of water (kg) = 1.000e+00 @@ -2979,10 +2979,10 @@ CO2(g) 1.90 0.20 -1.70 1.000e+01 8.319e+00 -1.681e+00 pH = 2.993 Charge balance pe = 2.562 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 377 + Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 1.02871 Volume (L) = 1.04399 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00279 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.052e-03 Mass of water (kg) = 1.000e+00 @@ -3125,10 +3125,10 @@ CO2(g) 1.91 0.20 -1.71 1.000e+01 8.308e+00 -1.692e+00 pH = 2.987 Charge balance pe = 2.498 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 382 + Specific Conductance (µS/cm, 25°C) = 296 Density (g/cm³) = 1.02964 Volume (L) = 1.04355 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00360 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.066e-03 Mass of water (kg) = 1.000e+00 @@ -3271,10 +3271,10 @@ CO2(g) 1.93 0.21 -1.72 1.000e+01 8.297e+00 -1.703e+00 pH = 2.981 Charge balance pe = 2.485 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 388 + Specific Conductance (µS/cm, 25°C) = 300 Density (g/cm³) = 1.03056 Volume (L) = 1.04309 - Viscosity (mPa s) = 0.88748 + Viscosity (mPa s) = 1.00438 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.081e-03 Mass of water (kg) = 1.000e+00 @@ -3417,10 +3417,10 @@ CO2(g) 1.94 0.21 -1.74 1.000e+01 8.286e+00 -1.714e+00 pH = 2.976 Charge balance pe = 2.451 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 393 + Specific Conductance (µS/cm, 25°C) = 304 Density (g/cm³) = 1.03146 Volume (L) = 1.04262 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00514 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.095e-03 Mass of water (kg) = 1.000e+00 @@ -3563,10 +3563,10 @@ CO2(g) 1.96 0.21 -1.75 1.000e+01 8.276e+00 -1.724e+00 pH = 2.970 Charge balance pe = 2.846 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 399 + Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 1.03237 Volume (L) = 1.04215 - Viscosity (mPa s) = 0.88752 + Viscosity (mPa s) = 1.00591 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.109e-03 Mass of water (kg) = 1.000e+00 @@ -3709,10 +3709,10 @@ CO2(g) 1.97 0.21 -1.76 1.000e+01 8.266e+00 -1.734e+00 pH = 2.965 Charge balance pe = 2.872 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 404 + Specific Conductance (µS/cm, 25°C) = 311 Density (g/cm³) = 1.03327 Volume (L) = 1.04167 - Viscosity (mPa s) = 0.88756 + Viscosity (mPa s) = 1.00666 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.123e-03 Mass of water (kg) = 1.000e+00 @@ -3855,10 +3855,10 @@ CO2(g) 1.99 0.22 -1.77 1.000e+01 8.256e+00 -1.744e+00 pH = 2.959 Charge balance pe = 2.455 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 410 + Specific Conductance (µS/cm, 25°C) = 315 Density (g/cm³) = 1.03416 Volume (L) = 1.04118 - Viscosity (mPa s) = 0.88761 + Viscosity (mPa s) = 1.00741 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.137e-03 Mass of water (kg) = 1.000e+00 @@ -4089,10 +4089,10 @@ CO2(g) 0.04 -1.67 -1.71 1.000e+01 9.979e+00 -2.144e-02 pH = 3.980 Charge balance pe = 1.364 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 55 + Specific Conductance (µS/cm, 50°C) = 54 Density (g/cm³) = 0.98822 Volume (L) = 1.01287 - Viscosity (mPa s) = 0.54656 + Viscosity (mPa s) = 0.54719 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.063e-04 Mass of water (kg) = 1.000e+00 @@ -4235,10 +4235,10 @@ CO2(g) 1.28 -0.44 -1.72 1.000e+01 9.625e+00 -3.747e-01 pH = 3.359 Charge balance pe = 2.052 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 226 + Specific Conductance (µS/cm, 50°C) = 218 Density (g/cm³) = 0.99212 Volume (L) = 1.02456 - Viscosity (mPa s) = 0.54707 + Viscosity (mPa s) = 0.55590 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.486e-04 Mass of water (kg) = 1.000e+00 @@ -4381,10 +4381,10 @@ CO2(g) 1.53 -0.20 -1.73 1.000e+01 9.339e+00 -6.607e-01 pH = 3.236 Charge balance pe = 2.224 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 294 + Specific Conductance (µS/cm, 50°C) = 278 Density (g/cm³) = 0.99538 Volume (L) = 1.03385 - Viscosity (mPa s) = 0.54752 + Viscosity (mPa s) = 0.56273 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.971e-04 Mass of water (kg) = 1.000e+00 @@ -4527,10 +4527,10 @@ CO2(g) 1.66 -0.08 -1.75 1.000e+01 9.119e+00 -8.808e-01 pH = 3.173 Charge balance pe = 2.169 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 336 + Specific Conductance (µS/cm, 50°C) = 313 Density (g/cm³) = 0.99806 Volume (L) = 1.04078 - Viscosity (mPa s) = 0.54795 + Viscosity (mPa s) = 0.56801 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.919e-04 Mass of water (kg) = 1.000e+00 @@ -4673,10 +4673,10 @@ CO2(g) 1.74 -0.01 -1.76 1.000e+01 8.963e+00 -1.037e+00 pH = 3.136 Charge balance pe = 2.398 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 363 + Specific Conductance (µS/cm, 50°C) = 334 Density (g/cm³) = 1.00019 Volume (L) = 1.04545 - Viscosity (mPa s) = 0.54838 + Viscosity (mPa s) = 0.57186 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.550e-04 Mass of water (kg) = 1.000e+00 @@ -4819,10 +4819,10 @@ CO2(g) 1.79 0.02 -1.77 1.000e+01 8.867e+00 -1.133e+00 pH = 3.114 Charge balance pe = 2.417 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 380 + Specific Conductance (µS/cm, 50°C) = 347 Density (g/cm³) = 1.00182 Volume (L) = 1.04795 - Viscosity (mPa s) = 0.54880 + Viscosity (mPa s) = 0.57438 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.949e-04 Mass of water (kg) = 1.000e+00 @@ -4965,10 +4965,10 @@ CO2(g) 1.82 0.04 -1.78 1.000e+01 8.814e+00 -1.186e+00 pH = 3.100 Charge balance pe = 12.717 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 391 + Specific Conductance (µS/cm, 50°C) = 355 Density (g/cm³) = 1.00310 Volume (L) = 1.04895 - Viscosity (mPa s) = 0.54923 + Viscosity (mPa s) = 0.57599 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.204e-04 Mass of water (kg) = 1.000e+00 @@ -5111,10 +5111,10 @@ CO2(g) 1.84 0.05 -1.79 1.000e+01 8.776e+00 -1.224e+00 pH = 3.090 Charge balance pe = 2.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 401 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00425 Volume (L) = 1.04940 - Viscosity (mPa s) = 0.54965 + Viscosity (mPa s) = 0.57727 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.409e-04 Mass of water (kg) = 1.000e+00 @@ -5257,10 +5257,10 @@ CO2(g) 1.87 0.06 -1.80 1.000e+01 8.745e+00 -1.255e+00 pH = 3.080 Charge balance pe = 2.313 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 409 + Specific Conductance (µS/cm, 50°C) = 369 Density (g/cm³) = 1.00534 Volume (L) = 1.04962 - Viscosity (mPa s) = 0.55007 + Viscosity (mPa s) = 0.57841 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.595e-04 Mass of water (kg) = 1.000e+00 @@ -5403,10 +5403,10 @@ CO2(g) 1.89 0.07 -1.82 1.000e+01 8.718e+00 -1.282e+00 pH = 3.072 Charge balance pe = 2.409 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 417 + Specific Conductance (µS/cm, 50°C) = 376 Density (g/cm³) = 1.00641 Volume (L) = 1.04970 - Viscosity (mPa s) = 0.55050 + Viscosity (mPa s) = 0.57947 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.768e-04 Mass of water (kg) = 1.000e+00 @@ -5549,10 +5549,10 @@ CO2(g) 1.91 0.08 -1.83 1.000e+01 8.693e+00 -1.307e+00 pH = 3.064 Charge balance pe = 2.657 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 424 + Specific Conductance (µS/cm, 50°C) = 382 Density (g/cm³) = 1.00744 Volume (L) = 1.04969 - Viscosity (mPa s) = 0.55093 + Viscosity (mPa s) = 0.58047 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.934e-04 Mass of water (kg) = 1.000e+00 @@ -5695,10 +5695,10 @@ CO2(g) 1.92 0.09 -1.84 1.000e+01 8.671e+00 -1.329e+00 pH = 3.056 Charge balance pe = 2.731 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 432 + Specific Conductance (µS/cm, 50°C) = 388 Density (g/cm³) = 1.00846 Volume (L) = 1.04962 - Viscosity (mPa s) = 0.55136 + Viscosity (mPa s) = 0.58144 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.094e-04 Mass of water (kg) = 1.000e+00 @@ -5841,10 +5841,10 @@ CO2(g) 1.94 0.09 -1.85 1.000e+01 8.650e+00 -1.350e+00 pH = 3.049 Charge balance pe = 2.582 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 439 + Specific Conductance (µS/cm, 50°C) = 393 Density (g/cm³) = 1.00946 Volume (L) = 1.04949 - Viscosity (mPa s) = 0.55180 + Viscosity (mPa s) = 0.58237 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.250e-04 Mass of water (kg) = 1.000e+00 @@ -5987,10 +5987,10 @@ CO2(g) 1.96 0.10 -1.86 1.000e+01 8.631e+00 -1.369e+00 pH = 3.042 Charge balance pe = 2.238 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 446 + Specific Conductance (µS/cm, 50°C) = 399 Density (g/cm³) = 1.01044 Volume (L) = 1.04931 - Viscosity (mPa s) = 0.55224 + Viscosity (mPa s) = 0.58328 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.403e-04 Mass of water (kg) = 1.000e+00 @@ -6133,10 +6133,10 @@ CO2(g) 1.98 0.10 -1.87 1.000e+01 8.612e+00 -1.388e+00 pH = 3.035 Charge balance pe = 2.465 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 453 + Specific Conductance (µS/cm, 50°C) = 405 Density (g/cm³) = 1.01142 Volume (L) = 1.04911 - Viscosity (mPa s) = 0.55268 + Viscosity (mPa s) = 0.58417 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.553e-04 Mass of water (kg) = 1.000e+00 @@ -6279,10 +6279,10 @@ CO2(g) 1.99 0.11 -1.88 1.000e+01 8.595e+00 -1.405e+00 pH = 3.028 Charge balance pe = 2.684 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 460 + Specific Conductance (µS/cm, 50°C) = 410 Density (g/cm³) = 1.01238 Volume (L) = 1.04886 - Viscosity (mPa s) = 0.55313 + Viscosity (mPa s) = 0.58504 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.700e-04 Mass of water (kg) = 1.000e+00 @@ -6425,10 +6425,10 @@ CO2(g) 2.01 0.11 -1.90 1.000e+01 8.578e+00 -1.422e+00 pH = 3.022 Charge balance pe = 2.501 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 466 + Specific Conductance (µS/cm, 50°C) = 416 Density (g/cm³) = 1.01333 Volume (L) = 1.04859 - Viscosity (mPa s) = 0.55357 + Viscosity (mPa s) = 0.58589 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.846e-04 Mass of water (kg) = 1.000e+00 @@ -6571,10 +6571,10 @@ CO2(g) 2.02 0.12 -1.91 1.000e+01 8.562e+00 -1.438e+00 pH = 3.016 Charge balance pe = 2.351 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 473 + Specific Conductance (µS/cm, 50°C) = 421 Density (g/cm³) = 1.01428 Volume (L) = 1.04830 - Viscosity (mPa s) = 0.55403 + Viscosity (mPa s) = 0.58674 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.991e-04 Mass of water (kg) = 1.000e+00 @@ -6717,10 +6717,10 @@ CO2(g) 2.04 0.12 -1.92 1.000e+01 8.547e+00 -1.453e+00 pH = 3.010 Charge balance pe = 2.496 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 480 + Specific Conductance (µS/cm, 50°C) = 426 Density (g/cm³) = 1.01521 Volume (L) = 1.04799 - Viscosity (mPa s) = 0.55448 + Viscosity (mPa s) = 0.58757 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.013e-03 Mass of water (kg) = 1.000e+00 @@ -6863,10 +6863,10 @@ CO2(g) 2.06 0.12 -1.93 1.000e+01 8.533e+00 -1.467e+00 pH = 3.004 Charge balance pe = 2.959 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 486 + Specific Conductance (µS/cm, 50°C) = 432 Density (g/cm³) = 1.01613 Volume (L) = 1.04766 - Viscosity (mPa s) = 0.55494 + Viscosity (mPa s) = 0.58839 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.027e-03 Mass of water (kg) = 1.000e+00 @@ -7009,10 +7009,10 @@ CO2(g) 2.07 0.13 -1.94 1.000e+01 8.519e+00 -1.481e+00 pH = 2.998 Charge balance pe = 2.726 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 493 + Specific Conductance (µS/cm, 50°C) = 437 Density (g/cm³) = 1.01705 Volume (L) = 1.04732 - Viscosity (mPa s) = 0.55539 + Viscosity (mPa s) = 0.58921 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.042e-03 Mass of water (kg) = 1.000e+00 @@ -7155,10 +7155,10 @@ CO2(g) 2.09 0.13 -1.95 1.000e+01 8.506e+00 -1.494e+00 pH = 2.992 Charge balance pe = 2.297 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 499 + Specific Conductance (µS/cm, 50°C) = 442 Density (g/cm³) = 1.01796 Volume (L) = 1.04695 - Viscosity (mPa s) = 0.55586 + Viscosity (mPa s) = 0.59001 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.056e-03 Mass of water (kg) = 1.000e+00 @@ -7301,10 +7301,10 @@ CO2(g) 2.10 0.14 -1.96 1.000e+01 8.493e+00 -1.507e+00 pH = 2.987 Charge balance pe = 2.355 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 506 + Specific Conductance (µS/cm, 50°C) = 448 Density (g/cm³) = 1.01886 Volume (L) = 1.04657 - Viscosity (mPa s) = 0.55632 + Viscosity (mPa s) = 0.59080 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.069e-03 Mass of water (kg) = 1.000e+00 @@ -7447,10 +7447,10 @@ CO2(g) 2.11 0.14 -1.98 1.000e+01 8.481e+00 -1.519e+00 pH = 2.981 Charge balance pe = 2.471 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 512 + Specific Conductance (µS/cm, 50°C) = 453 Density (g/cm³) = 1.01976 Volume (L) = 1.04619 - Viscosity (mPa s) = 0.55679 + Viscosity (mPa s) = 0.59160 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.083e-03 Mass of water (kg) = 1.000e+00 @@ -7593,10 +7593,10 @@ CO2(g) 2.13 0.14 -1.99 1.000e+01 8.469e+00 -1.531e+00 pH = 2.976 Charge balance pe = 2.290 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 519 + Specific Conductance (µS/cm, 50°C) = 458 Density (g/cm³) = 1.02065 Volume (L) = 1.04579 - Viscosity (mPa s) = 0.55726 + Viscosity (mPa s) = 0.59238 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.097e-03 Mass of water (kg) = 1.000e+00 @@ -7739,10 +7739,10 @@ CO2(g) 2.14 0.14 -2.00 1.000e+01 8.457e+00 -1.543e+00 pH = 2.970 Charge balance pe = 2.365 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 525 + Specific Conductance (µS/cm, 50°C) = 463 Density (g/cm³) = 1.02153 Volume (L) = 1.04538 - Viscosity (mPa s) = 0.55774 + Viscosity (mPa s) = 0.59317 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.111e-03 Mass of water (kg) = 1.000e+00 @@ -7976,7 +7976,7 @@ CO2(g) 0.04 -1.83 -1.87 1.000e+01 9.985e+00 -1.478e-02 Specific Conductance (µS/cm, 75°C) = 52 Density (g/cm³) = 0.97496 Volume (L) = 1.02635 - Viscosity (mPa s) = 0.37745 + Viscosity (mPa s) = 0.37771 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.457e-05 Mass of water (kg) = 1.000e+00 @@ -8119,10 +8119,10 @@ CO2(g) 1.29 -0.59 -1.88 1.000e+01 9.735e+00 -2.646e-01 pH = 3.454 Charge balance pe = 10.880 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 221 + Specific Conductance (µS/cm, 75°C) = 218 Density (g/cm³) = 0.97777 Volume (L) = 1.03465 - Viscosity (mPa s) = 0.37806 + Viscosity (mPa s) = 0.38094 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.605e-04 Mass of water (kg) = 1.000e+00 @@ -8265,10 +8265,10 @@ CO2(g) 1.55 -0.34 -1.90 1.000e+01 9.520e+00 -4.796e-01 pH = 3.326 Charge balance pe = 2.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 293 + Specific Conductance (µS/cm, 75°C) = 286 Density (g/cm³) = 0.98028 Volume (L) = 1.04165 - Viscosity (mPa s) = 0.37863 + Viscosity (mPa s) = 0.38357 Activity of water = 0.992 Ionic strength (mol/kgw) = 4.856e-04 Mass of water (kg) = 1.000e+00 @@ -8411,10 +8411,10 @@ CO2(g) 1.69 -0.21 -1.91 1.000e+01 9.340e+00 -6.596e-01 pH = 3.257 Charge balance pe = 2.212 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 340 + Specific Conductance (µS/cm, 75°C) = 329 Density (g/cm³) = 0.98251 Volume (L) = 1.04735 - Viscosity (mPa s) = 0.37918 + Viscosity (mPa s) = 0.38580 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.704e-04 Mass of water (kg) = 1.000e+00 @@ -8557,10 +8557,10 @@ CO2(g) 1.79 -0.13 -1.92 1.000e+01 9.194e+00 -8.057e-01 pH = 3.213 Charge balance pe = 2.678 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 373 + Specific Conductance (µS/cm, 75°C) = 358 Density (g/cm³) = 0.98447 Volume (L) = 1.05180 - Viscosity (mPa s) = 0.37973 + Viscosity (mPa s) = 0.38769 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.325e-04 Mass of water (kg) = 1.000e+00 @@ -8703,10 +8703,10 @@ CO2(g) 1.85 -0.08 -1.93 1.000e+01 9.079e+00 -9.206e-01 pH = 3.182 Charge balance pe = 2.539 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 398 + Specific Conductance (µS/cm, 75°C) = 380 Density (g/cm³) = 0.98619 Volume (L) = 1.05509 - Viscosity (mPa s) = 0.38028 + Viscosity (mPa s) = 0.38929 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.794e-04 Mass of water (kg) = 1.000e+00 @@ -8849,10 +8849,10 @@ CO2(g) 1.90 -0.04 -1.94 1.000e+01 8.992e+00 -1.008e+00 pH = 3.160 Charge balance pe = 11.168 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 416 + Specific Conductance (µS/cm, 75°C) = 396 Density (g/cm³) = 0.98771 Volume (L) = 1.05737 - Viscosity (mPa s) = 0.38082 + Viscosity (mPa s) = 0.39063 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.153e-04 Mass of water (kg) = 1.000e+00 @@ -8995,10 +8995,10 @@ CO2(g) 1.93 -0.02 -1.95 1.000e+01 8.925e+00 -1.075e+00 pH = 3.143 Charge balance pe = 2.518 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 431 + Specific Conductance (µS/cm, 75°C) = 409 Density (g/cm³) = 0.98907 Volume (L) = 1.05888 - Viscosity (mPa s) = 0.38136 + Viscosity (mPa s) = 0.39179 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.437e-04 Mass of water (kg) = 1.000e+00 @@ -9141,10 +9141,10 @@ CO2(g) 1.96 -0.00 -1.96 1.000e+01 8.873e+00 -1.127e+00 pH = 3.130 Charge balance pe = 2.266 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 443 + Specific Conductance (µS/cm, 75°C) = 419 Density (g/cm³) = 0.99032 Volume (L) = 1.05986 - Viscosity (mPa s) = 0.38189 + Viscosity (mPa s) = 0.39282 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.673e-04 Mass of water (kg) = 1.000e+00 @@ -9287,10 +9287,10 @@ CO2(g) 1.99 0.01 -1.97 1.000e+01 8.830e+00 -1.170e+00 pH = 3.119 Charge balance pe = 2.807 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 454 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99150 Volume (L) = 1.06051 - Viscosity (mPa s) = 0.38243 + Viscosity (mPa s) = 0.39377 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.881e-04 Mass of water (kg) = 1.000e+00 @@ -9433,10 +9433,10 @@ CO2(g) 2.01 0.03 -1.99 1.000e+01 8.793e+00 -1.207e+00 pH = 3.108 Charge balance pe = 11.185 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 464 + Specific Conductance (µS/cm, 75°C) = 437 Density (g/cm³) = 0.99263 Volume (L) = 1.06094 - Viscosity (mPa s) = 0.38296 + Viscosity (mPa s) = 0.39467 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.070e-04 Mass of water (kg) = 1.000e+00 @@ -9579,10 +9579,10 @@ CO2(g) 2.03 0.04 -2.00 1.000e+01 8.760e+00 -1.240e+00 pH = 3.099 Charge balance pe = 2.240 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 473 + Specific Conductance (µS/cm, 75°C) = 445 Density (g/cm³) = 0.99372 Volume (L) = 1.06122 - Viscosity (mPa s) = 0.38350 + Viscosity (mPa s) = 0.39553 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.246e-04 Mass of water (kg) = 1.000e+00 @@ -9725,10 +9725,10 @@ CO2(g) 2.05 0.05 -2.01 1.000e+01 8.731e+00 -1.269e+00 pH = 3.090 Charge balance pe = 2.314 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 482 + Specific Conductance (µS/cm, 75°C) = 453 Density (g/cm³) = 0.99479 Volume (L) = 1.06139 - Viscosity (mPa s) = 0.38403 + Viscosity (mPa s) = 0.39636 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.414e-04 Mass of water (kg) = 1.000e+00 @@ -9871,10 +9871,10 @@ CO2(g) 2.07 0.05 -2.02 1.000e+01 8.703e+00 -1.297e+00 pH = 3.082 Charge balance pe = 2.239 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 490 + Specific Conductance (µS/cm, 75°C) = 460 Density (g/cm³) = 0.99584 Volume (L) = 1.06148 - Viscosity (mPa s) = 0.38456 + Viscosity (mPa s) = 0.39717 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.575e-04 Mass of water (kg) = 1.000e+00 @@ -10017,10 +10017,10 @@ CO2(g) 2.09 0.06 -2.03 1.000e+01 8.678e+00 -1.322e+00 pH = 3.075 Charge balance pe = 2.582 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 498 + Specific Conductance (µS/cm, 75°C) = 467 Density (g/cm³) = 0.99687 Volume (L) = 1.06150 - Viscosity (mPa s) = 0.38510 + Viscosity (mPa s) = 0.39797 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.731e-04 Mass of water (kg) = 1.000e+00 @@ -10163,10 +10163,10 @@ CO2(g) 2.11 0.07 -2.04 1.000e+01 8.655e+00 -1.345e+00 pH = 3.067 Charge balance pe = 2.333 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 506 + Specific Conductance (µS/cm, 75°C) = 474 Density (g/cm³) = 0.99789 Volume (L) = 1.06145 - Viscosity (mPa s) = 0.38563 + Viscosity (mPa s) = 0.39875 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.882e-04 Mass of water (kg) = 1.000e+00 @@ -10309,10 +10309,10 @@ CO2(g) 2.13 0.07 -2.05 1.000e+01 8.632e+00 -1.368e+00 pH = 3.060 Charge balance pe = 2.878 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 514 + Specific Conductance (µS/cm, 75°C) = 481 Density (g/cm³) = 0.99889 Volume (L) = 1.06137 - Viscosity (mPa s) = 0.38617 + Viscosity (mPa s) = 0.39952 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.030e-04 Mass of water (kg) = 1.000e+00 @@ -10455,10 +10455,10 @@ CO2(g) 2.14 0.08 -2.06 1.000e+01 8.611e+00 -1.389e+00 pH = 3.053 Charge balance pe = 11.204 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 522 + Specific Conductance (µS/cm, 75°C) = 488 Density (g/cm³) = 0.99988 Volume (L) = 1.06125 - Viscosity (mPa s) = 0.38670 + Viscosity (mPa s) = 0.40028 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.176e-04 Mass of water (kg) = 1.000e+00 @@ -10601,10 +10601,10 @@ CO2(g) 2.16 0.09 -2.07 1.000e+01 8.591e+00 -1.409e+00 pH = 3.047 Charge balance pe = 2.391 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 529 + Specific Conductance (µS/cm, 75°C) = 494 Density (g/cm³) = 1.00085 Volume (L) = 1.06109 - Viscosity (mPa s) = 0.38723 + Viscosity (mPa s) = 0.40103 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.318e-04 Mass of water (kg) = 1.000e+00 @@ -10747,10 +10747,10 @@ CO2(g) 2.18 0.09 -2.08 1.000e+01 8.572e+00 -1.428e+00 pH = 3.040 Charge balance pe = 11.232 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 537 + Specific Conductance (µS/cm, 75°C) = 501 Density (g/cm³) = 1.00182 Volume (L) = 1.06090 - Viscosity (mPa s) = 0.38777 + Viscosity (mPa s) = 0.40177 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.458e-04 Mass of water (kg) = 1.000e+00 @@ -10893,10 +10893,10 @@ CO2(g) 2.19 0.10 -2.09 1.000e+01 8.554e+00 -1.446e+00 pH = 3.034 Charge balance pe = 2.303 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 544 + Specific Conductance (µS/cm, 75°C) = 507 Density (g/cm³) = 1.00278 Volume (L) = 1.06069 - Viscosity (mPa s) = 0.38830 + Viscosity (mPa s) = 0.40251 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.598e-04 Mass of water (kg) = 1.000e+00 @@ -11039,10 +11039,10 @@ CO2(g) 2.21 0.10 -2.11 1.000e+01 8.537e+00 -1.463e+00 pH = 3.028 Charge balance pe = 11.326 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 551 + Specific Conductance (µS/cm, 75°C) = 513 Density (g/cm³) = 1.00373 Volume (L) = 1.06045 - Viscosity (mPa s) = 0.38883 + Viscosity (mPa s) = 0.40325 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.734e-04 Mass of water (kg) = 1.000e+00 @@ -11185,10 +11185,10 @@ CO2(g) 2.22 0.10 -2.12 1.000e+01 8.520e+00 -1.480e+00 pH = 3.022 Charge balance pe = 2.335 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 558 + Specific Conductance (µS/cm, 75°C) = 519 Density (g/cm³) = 1.00467 Volume (L) = 1.06019 - Viscosity (mPa s) = 0.38937 + Viscosity (mPa s) = 0.40397 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.869e-04 Mass of water (kg) = 1.000e+00 @@ -11331,10 +11331,10 @@ CO2(g) 2.24 0.11 -2.13 1.000e+01 8.504e+00 -1.496e+00 pH = 3.016 Charge balance pe = 3.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 565 + Specific Conductance (µS/cm, 75°C) = 526 Density (g/cm³) = 1.00560 Volume (L) = 1.05992 - Viscosity (mPa s) = 0.38990 + Viscosity (mPa s) = 0.40469 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.000e-03 Mass of water (kg) = 1.000e+00 @@ -11477,10 +11477,10 @@ CO2(g) 2.25 0.11 -2.14 1.000e+01 8.488e+00 -1.512e+00 pH = 3.011 Charge balance pe = 2.514 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 572 + Specific Conductance (µS/cm, 75°C) = 532 Density (g/cm³) = 1.00652 Volume (L) = 1.05962 - Viscosity (mPa s) = 0.39044 + Viscosity (mPa s) = 0.40541 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.014e-03 Mass of water (kg) = 1.000e+00 @@ -11623,10 +11623,10 @@ CO2(g) 2.27 0.12 -2.15 1.000e+01 8.473e+00 -1.527e+00 pH = 3.005 Charge balance pe = 11.260 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 579 + Specific Conductance (µS/cm, 75°C) = 538 Density (g/cm³) = 1.00744 Volume (L) = 1.05931 - Viscosity (mPa s) = 0.39098 + Viscosity (mPa s) = 0.40613 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.027e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/phi_Duan_PR_EQ_101.sel b/mytest/phi_Duan_PR_EQ_101.sel index 5bedef906..f747401f8 100644 --- a/mytest/phi_Duan_PR_EQ_101.sel +++ b/mytest/phi_Duan_PR_EQ_101.sel @@ -1,160 +1,160 @@ Mu SC 0.000000100661 0.0546997340 0.000000100665 0.0547021220 - 0.000130281240 50.6844929484 - 0.000000101589 0.0551819021 - 0.000541610367 201.9912129731 + 0.000130281240 50.3546614509 + 0.000000101589 0.0551819022 + 0.000541610367 182.5222929760 0.000000102522 0.0556660055 - 0.000708420426 256.7840722035 - 0.000000103464 0.0561544077 - 0.000802150277 285.7349158887 - 0.000000104415 0.0566470871 - 0.000826456976 293.8931291334 - 0.000000105375 0.0571440237 - 0.000843798628 300.0586732935 - 0.000000106345 0.0576451993 - 0.000860217654 305.9679671506 - 0.000000107324 0.0581505972 - 0.000876114172 311.7367031723 + 0.000708420426 217.2492368592 + 0.000000103464 0.0561544078 + 0.000802150277 232.0248514655 + 0.000000104415 0.0566470872 + 0.000826456976 236.8171357250 + 0.000000105375 0.0571440238 + 0.000843798628 240.7926754883 + 0.000000106345 0.0576451994 + 0.000860217654 244.6589440164 + 0.000000107324 0.0581505973 + 0.000876114172 248.4656850490 0.000000108312 0.0586602021 - 0.000891635179 317.4076807152 - 0.000000109309 0.0591739998 - 0.000906855947 323.0029513751 - 0.000000110315 0.0596919776 - 0.000921869751 328.5491718782 - 0.000000111331 0.0602141238 - 0.000936720457 334.0589369786 - 0.000000112357 0.0607404278 - 0.000951420229 339.5359061593 - 0.000000113391 0.0612708800 - 0.000966007403 344.9908761236 - 0.000000114435 0.0618054722 - 0.000980534649 350.4384590944 - 0.000000115489 0.0623441967 - 0.000994932535 355.8596135799 - 0.000000116552 0.0628870471 - 0.001009278447 361.2756502285 - 0.000000117624 0.0634340179 - 0.001023633273 366.7031920913 - 0.000000118706 0.0639851045 - 0.001037875282 372.1088874292 - 0.000000119798 0.0645403032 - 0.001052107513 377.5208601940 - 0.000000120899 0.0650996111 - 0.001066393943 382.9564170216 - 0.000000122009 0.0656630263 - 0.001080564230 388.3690875235 - 0.000000123130 0.0662305475 - 0.001094699017 393.7807708003 - 0.000000124260 0.0668021744 - 0.001108909432 399.2215030380 - 0.000000125399 0.0673779074 - 0.001123034038 404.6473852947 - 0.000000126549 0.0679577474 - 0.001137206446 410.0945068679 + 0.000891635179 252.2324700663 + 0.000000109309 0.0591739999 + 0.000906855947 255.9700499166 + 0.000000110315 0.0596919777 + 0.000921869751 259.6897416862 + 0.000000111331 0.0602141239 + 0.000936720457 263.3973804078 + 0.000000112357 0.0607404279 + 0.000951420229 267.0955196063 + 0.000000113391 0.0612708801 + 0.000966007403 270.7887303653 + 0.000000114435 0.0618054723 + 0.000980534649 274.4823952565 + 0.000000115489 0.0623441968 + 0.000994932535 278.1714976813 + 0.000000116552 0.0628870472 + 0.001009278447 281.8631739812 + 0.000000117624 0.0634340180 + 0.001023633273 285.5627044701 + 0.000000118706 0.0639851046 + 0.001037875282 289.2609472849 + 0.000000119798 0.0645403033 + 0.001052107513 292.9663904558 + 0.000000120899 0.0650996113 + 0.001066393943 296.6840036660 + 0.000000122009 0.0656630264 + 0.001080564230 300.4014062440 + 0.000000123130 0.0662305477 + 0.001094699017 304.1249842162 + 0.000000124260 0.0668021746 + 0.001108909432 307.8628085160 + 0.000000125399 0.0673779075 + 0.001123034038 311.6036565562 + 0.000000126549 0.0679577475 + 0.001137206446 315.3570089642 0.000000100661 0.0546997340 - 0.000000323930 0.1969840573 - 0.000106327734 55.0263337133 - 0.000000328530 0.1997448254 - 0.000448608608 226.0614514647 - 0.000000333210 0.2025532307 - 0.000597064886 294.9562450049 - 0.000000337971 0.2054099369 - 0.000691918071 336.8187758077 - 0.000000342815 0.2083156202 - 0.000754992829 363.8421235005 - 0.000000347743 0.2112709688 - 0.000794890252 380.8682876526 - 0.000000352755 0.2142766831 - 0.000820394271 391.9929298331 - 0.000000357854 0.2173334755 - 0.000840949404 401.1205086002 - 0.000000363039 0.2204420707 - 0.000859467376 409.4289851395 - 0.000000368314 0.2236032054 - 0.000876805958 417.2652476044 - 0.000000373678 0.2268176284 - 0.000893387788 424.7994591406 - 0.000000379133 0.2300861011 - 0.000909423353 432.1166528523 - 0.000000384681 0.2334093970 - 0.000925021530 439.2613480955 - 0.000000390323 0.2367883023 - 0.000940284265 446.2743919818 - 0.000000396060 0.2402236155 - 0.000955307651 453.1935760135 - 0.000000401894 0.2437161479 - 0.000970049738 460.0044320154 - 0.000000407826 0.2472667235 - 0.000984612269 466.7460947469 - 0.000000413857 0.2508761793 - 0.000999073183 473.4482414620 - 0.000000419990 0.2545453651 - 0.001013322197 480.0705492273 - 0.000000426225 0.2582751440 - 0.001027473734 486.6559652172 - 0.000000432564 0.2620663920 - 0.001041599481 493.2311671624 - 0.000000439009 0.2659199986 - 0.001055536302 499.7365092420 - 0.000000445561 0.2698368669 - 0.001069370632 506.2041480917 - 0.000000452222 0.2738179131 - 0.001083216884 512.6760435184 - 0.000000458994 0.2778640674 - 0.001096919630 519.0956813616 - 0.000000465877 0.2819762738 - 0.001110613862 525.5123459589 + 0.000000323930 0.1969840575 + 0.000106327734 54.8977510132 + 0.000000328530 0.1997448255 + 0.000448608608 218.8115249435 + 0.000000333210 0.2025532308 + 0.000597064886 278.9826059952 + 0.000000337971 0.2054099371 + 0.000691918071 313.1252295017 + 0.000000342815 0.2083156203 + 0.000754992829 334.1953832062 + 0.000000347743 0.2112709689 + 0.000794890252 347.2837584995 + 0.000000352755 0.2142766832 + 0.000820394271 355.9739028751 + 0.000000357854 0.2173334757 + 0.000840949404 363.2040882415 + 0.000000363039 0.2204420709 + 0.000859467376 369.8341631002 + 0.000000368314 0.2236032055 + 0.000876805958 376.1176910437 + 0.000000373678 0.2268176286 + 0.000893387788 382.1784355555 + 0.000000379133 0.2300861013 + 0.000909423353 388.0787506357 + 0.000000384681 0.2334093972 + 0.000925021530 393.8520437179 + 0.000000390323 0.2367883025 + 0.000940284265 399.5280251460 + 0.000000396060 0.2402236157 + 0.000955307651 405.1333621723 + 0.000000401894 0.2437161481 + 0.000970049738 410.6606327120 + 0.000000407826 0.2472667237 + 0.000984612269 416.1363752883 + 0.000000413857 0.2508761795 + 0.000999073183 421.5803921130 + 0.000000419990 0.2545453654 + 0.001013322197 426.9684047898 + 0.000000426225 0.2582751442 + 0.001027473734 432.3281794457 + 0.000000432564 0.2620663922 + 0.001041599481 437.6767451773 + 0.000000439009 0.2659199989 + 0.001055536302 442.9780814027 + 0.000000445561 0.2698368671 + 0.001069370632 448.2526550714 + 0.000000452222 0.2738179133 + 0.001083216884 453.5263165155 + 0.000000458994 0.2778640677 + 0.001096919630 458.7653584668 + 0.000000465877 0.2819762740 + 0.001110613862 463.9998074784 0.000000100661 0.0546997340 - 0.000001077758 0.7762710416 - 0.000084566271 52.7773534432 - 0.000001094463 0.7883664970 - 0.000360538825 221.4605110288 - 0.000001111519 0.8007123165 - 0.000485621108 293.6479424213 - 0.000001128932 0.8133126131 - 0.000570448094 340.5319019711 - 0.000001146707 0.8261715887 - 0.000632547062 373.7466198162 - 0.000001164850 0.8392935357 - 0.000679382542 398.2480341178 - 0.000001183369 0.8526828381 - 0.000715261117 416.8009365964 - 0.000001202268 0.8663439731 - 0.000743685200 431.4549118426 - 0.000001221555 0.8802815117 - 0.000767345086 443.6765236900 - 0.000001241236 0.8945001202 - 0.000788072638 454.4205041621 - 0.000001261317 0.9090045613 - 0.000806975362 464.2495430588 - 0.000001281806 0.9237996950 - 0.000824645723 473.4622921004 - 0.000001302710 0.9388904801 - 0.000841410017 482.2233060751 - 0.000001324036 0.9542819753 - 0.000857502472 490.6491350112 - 0.000001345790 0.9699793406 - 0.000873102583 498.8276927381 - 0.000001367981 0.9859878387 - 0.000888224585 506.7701893152 - 0.000001390616 1.0023128361 - 0.000903009184 514.5435825207 - 0.000001413704 1.0189598050 - 0.000917560583 522.1969049328 - 0.000001437251 1.0359343243 - 0.000931793017 529.6943694544 - 0.000001461266 1.0532420817 - 0.000945834043 537.0942681983 - 0.000001485757 1.0708888749 - 0.000959764717 544.4333535695 - 0.000001510733 1.0888806136 - 0.000973439425 551.6493322200 - 0.000001536203 1.1072233209 - 0.000986949522 558.7833189404 - 0.000001562174 1.1259231356 - 0.001000409992 565.8857758257 - 0.000001588657 1.1449863133 - 0.001013679621 572.8966364453 - 0.000001615660 1.1644192293 - 0.001026890435 579.8732558284 + 0.000001077758 0.7762710390 + 0.000084566271 52.7059144515 + 0.000001094463 0.7883664944 + 0.000360538825 218.1816271819 + 0.000001111519 0.8007123139 + 0.000485621108 286.2730118208 + 0.000001128932 0.8133126104 + 0.000570448094 329.1738192423 + 0.000001146707 0.8261715860 + 0.000632547062 358.8526342438 + 0.000001164850 0.8392935330 + 0.000679382542 380.3806014729 + 0.000001183369 0.8526828354 + 0.000715261117 396.5244399830 + 0.000001202268 0.8663439703 + 0.000743685200 409.2273004701 + 0.000001221555 0.8802815089 + 0.000767345086 419.8188148528 + 0.000001241236 0.8945001174 + 0.000788072638 429.1388016025 + 0.000001261317 0.9090045584 + 0.000806975362 437.6734986231 + 0.000001281806 0.9237996921 + 0.000824645723 445.6795992397 + 0.000001302710 0.9388904771 + 0.000841410017 453.2986657379 + 0.000001324036 0.9542819723 + 0.000857502472 460.6300152361 + 0.000001345790 0.9699793376 + 0.000873102583 467.7477052191 + 0.000001367981 0.9859878357 + 0.000888224585 474.6640164021 + 0.000001390616 1.0023128330 + 0.000903009184 481.4341109095 + 0.000001413704 1.0189598018 + 0.000917560583 488.0980440861 + 0.000001437251 1.0359343211 + 0.000931793017 494.6298324333 + 0.000001461266 1.0532420785 + 0.000945834043 501.0759061349 + 0.000001485757 1.0708888717 + 0.000959764717 507.4653760999 + 0.000001510733 1.0888806103 + 0.000973439425 513.7517610747 + 0.000001536203 1.1072233176 + 0.000986949522 519.9673949519 + 0.000001562174 1.1259231322 + 0.001000409992 526.1510395292 + 0.000001588657 1.1449863099 + 0.001013679621 532.2581238282 + 0.000001615660 1.1644192259 + 0.001026890435 538.3322671352 diff --git a/mytest/phreeqc.test.out b/mytest/phreeqc.test.out index 935a0e408..40b934c66 100644 --- a/mytest/phreeqc.test.out +++ b/mytest/phreeqc.test.out @@ -340,7 +340,6 @@ Na 4.855e-01 NaHCO3 2.197e-04 2.993e-04 -3.658 -3.524 0.134 31.73 NaF 3.861e-06 4.506e-06 -5.413 -5.346 0.067 7.26 NaHPO4- 2.703e-08 1.826e-08 -7.568 -7.739 -0.170 81.24 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.621e-20 O2 3.310e-20 3.864e-20 -19.480 -19.413 0.067 30.40 P 6.548e-07 @@ -586,7 +585,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+02 1.000e+02 -1.623e-03 Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 0.99726 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89219 + Viscosity (mPa s) = 0.89272 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.826e-03 Mass of water (kg) = 1.000e+00 @@ -706,7 +705,7 @@ Initial solution 2. SEA WATER Total carbon (mol/kg) = 2.186e-03 Total CO2 (mol/kg) = 2.186e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.111e-13 + Electrical balance (eq) = -6.110e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110160e+02 @@ -763,7 +762,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.382e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.470e-03 -1.855 -2.024 -0.168 8.23 NaHCO3 2.198e-04 2.994e-04 -3.658 -3.524 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.621e-20 O2 3.310e-20 3.864e-20 -19.480 -19.413 0.067 30.40 S(-2) 0.000e+00 @@ -863,7 +861,7 @@ Mixture 1. Specific Conductance (µS/cm, 25°C) = 18328 Density (g/cm³) = 1.00527 Volume (L) = 1.00579 - Viscosity (mPa s) = 0.91373 + Viscosity (mPa s) = 0.91375 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.070e-01 Mass of water (kg) = 1.000e+00 @@ -888,7 +886,7 @@ B 1.294e-04 H3BO3 1.271e-04 1.333e-04 -3.896 -3.875 0.021 39.23 H2BO3- 2.321e-06 1.729e-06 -5.634 -5.762 -0.128 (0) C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.030 -122.010 0.021 35.46 + CH4 0.000e+00 0.000e+00 -122.034 -122.014 0.021 35.46 C(4) 3.159e-03 HCO3- 2.610e-03 1.942e-03 -2.583 -2.712 -0.128 25.15 CO2 1.888e-04 1.948e-04 -3.724 -3.710 0.014 34.43 @@ -912,8 +910,8 @@ Ca 4.334e-03 Cl 1.700e-01 Cl- 1.700e-01 1.212e-01 -0.769 -0.916 -0.147 18.47 HCl 1.512e-09 1.852e-09 -8.820 -8.732 0.088 (0) -H(0) 2.862e-39 - H2 1.431e-39 1.501e-39 -38.844 -38.824 0.021 28.61 +H(0) 2.855e-39 + H2 1.428e-39 1.497e-39 -38.845 -38.825 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.984e-05 4.059e-05 -4.302 -4.392 -0.089 14.03 @@ -929,14 +927,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 NaHCO3 1.637e-04 1.801e-04 -3.786 -3.745 0.041 31.73 - NaOH 2.302e-18 2.415e-18 -17.638 -17.617 0.021 (0) -O(0) 3.488e-15 - O2 1.744e-15 1.829e-15 -14.758 -14.738 0.021 30.40 +O(0) 3.503e-15 + O2 1.752e-15 1.837e-15 -14.757 -14.736 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.154 -119.307 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -119.739 -119.718 0.021 36.27 - S-2 0.000e+00 0.000e+00 -124.340 -124.872 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -240.735 -240.714 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.158 -119.310 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -119.742 -119.722 0.021 36.27 + S-2 0.000e+00 0.000e+00 -124.344 -124.875 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -240.742 -240.722 0.021 30.09 S(6) 8.778e-03 SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.540 28.43 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 @@ -976,18 +973,18 @@ Sr 2.874e-05 Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O H2(g) -35.72 -38.82 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -118.72 -126.66 -7.94 H2S + H2S(g) -118.73 -126.66 -7.94 H2S Halite -3.46 -1.89 1.57 NaCl Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O Kieserite -4.06 -5.22 -1.16 MgSO4:H2O Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O - O2(g) -11.85 -14.74 -2.89 O2 + O2(g) -11.84 -14.74 -2.89 O2 Quartz -0.65 -4.63 -3.98 SiO2 Sepiolite -4.85 10.91 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.75 10.91 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -1.92 -4.63 -2.71 SiO2 Strontianite -1.49 -10.76 -9.27 SrCO3 - Sulfur -88.93 -84.04 4.88 S + Sulfur -88.93 -84.05 4.88 S Sylvite -4.47 -3.57 0.90 KCl Talc -2.70 18.70 21.40 Mg3Si4O10(OH)2 Thenardite -4.56 -4.86 -0.30 Na2SO4 @@ -1047,7 +1044,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+02 1.000e+02 7.790e-03 Specific Conductance (µS/cm, 25°C) = 18496 Density (g/cm³) = 1.00534 Volume (L) = 1.00583 - Viscosity (mPa s) = 0.91248 + Viscosity (mPa s) = 0.91252 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.073e-01 Mass of water (kg) = 1.000e+00 @@ -1071,8 +1068,8 @@ Dolomite 0.00 -17.08 -17.08 1.000e+02 1.000e+02 7.790e-03 B 1.294e-04 H3BO3 1.283e-04 1.345e-04 -3.892 -3.871 0.021 39.23 H2BO3- 1.168e-06 8.698e-07 -5.933 -6.061 -0.128 (0) -C(-4) 5.442e-23 - CH4 5.442e-23 5.708e-23 -22.264 -22.244 0.021 35.46 +C(-4) 5.478e-23 + CH4 5.478e-23 5.746e-23 -22.261 -22.241 0.021 35.46 C(4) 2.991e-03 HCO3- 2.376e-03 1.767e-03 -2.624 -2.753 -0.128 25.15 CO2 3.447e-04 3.558e-04 -3.463 -3.449 0.014 34.43 @@ -1096,8 +1093,8 @@ Ca 1.196e-02 Cl 1.700e-01 Cl- 1.700e-01 1.212e-01 -0.770 -0.916 -0.147 18.47 HCl 3.033e-09 3.716e-09 -8.518 -8.430 0.088 (0) -H(0) 2.152e-14 - H2 1.076e-14 1.128e-14 -13.968 -13.948 0.021 28.61 +H(0) 2.155e-14 + H2 1.078e-14 1.130e-14 -13.968 -13.947 0.021 28.61 K 3.173e-03 K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35 KSO4- 5.120e-05 4.171e-05 -4.291 -4.380 -0.089 14.03 @@ -1113,14 +1110,13 @@ Na 1.456e-01 Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.877e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 NaHCO3 1.489e-04 1.638e-04 -3.827 -3.786 0.041 31.73 - NaOH 1.147e-18 1.203e-18 -17.941 -17.920 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.511 -64.490 0.021 30.40 -S(-2) 7.039e-20 - HS- 4.624e-20 3.255e-20 -19.335 -19.487 -0.152 21.00 - H2S 2.415e-20 2.533e-20 -19.617 -19.596 0.021 36.27 - S-2 1.502e-25 4.418e-26 -24.823 -25.355 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -40.492 -40.471 0.021 30.09 + O2 0.000e+00 0.000e+00 -64.512 -64.492 0.021 30.40 +S(-2) 7.086e-20 + HS- 4.655e-20 3.277e-20 -19.332 -19.485 -0.152 21.00 + H2S 2.431e-20 2.550e-20 -19.614 -19.593 0.021 36.27 + S-2 1.512e-25 4.447e-26 -24.821 -25.352 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -40.486 -40.465 0.021 30.09 S(6) 8.778e-03 SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.44 NaSO4- 2.877e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 @@ -1225,11 +1221,11 @@ Calcite 0.00 -8.48 -8.48 1.000e+02 1.000e+02 -3.584e-05 ----------------------------Description of solution---------------------------- pH = 7.438 Charge balance - pe = -2.038 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18332 + pe = -2.039 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 18331 Density (g/cm³) = 1.00528 Volume (L) = 1.00579 - Viscosity (mPa s) = 0.91379 + Viscosity (mPa s) = 0.91380 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.071e-01 Mass of water (kg) = 1.000e+00 @@ -1253,8 +1249,8 @@ Calcite 0.00 -8.48 -8.48 1.000e+02 1.000e+02 -3.584e-05 B 1.294e-04 H3BO3 1.266e-04 1.328e-04 -3.897 -3.877 0.021 39.23 H2BO3- 2.809e-06 2.093e-06 -5.551 -5.679 -0.128 (0) -C(-4) 2.480e-23 - CH4 2.480e-23 2.601e-23 -22.606 -22.585 0.021 35.46 +C(-4) 2.497e-23 + CH4 2.497e-23 2.618e-23 -22.603 -22.582 0.021 35.46 C(4) 3.195e-03 HCO3- 2.664e-03 1.982e-03 -2.574 -2.703 -0.128 25.15 NaHCO3 1.670e-04 1.838e-04 -3.777 -3.736 0.041 31.73 @@ -1278,8 +1274,8 @@ Ca 4.370e-03 Cl 1.700e-01 Cl- 1.700e-01 1.212e-01 -0.769 -0.916 -0.147 18.47 HCl 1.244e-09 1.525e-09 -8.905 -8.817 0.088 (0) -H(0) 2.147e-14 - H2 1.073e-14 1.126e-14 -13.969 -13.949 0.021 28.61 +H(0) 2.150e-14 + H2 1.075e-14 1.128e-14 -13.969 -13.948 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.982e-05 4.058e-05 -4.303 -4.392 -0.089 14.03 @@ -1295,14 +1291,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.799e-03 2.088e-03 -2.553 -2.680 -0.127 -0.71 NaHCO3 1.670e-04 1.838e-04 -3.777 -3.736 0.041 31.73 - NaOH 2.797e-18 2.933e-18 -17.553 -17.533 0.021 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.509 -64.488 0.021 30.40 -S(-2) 2.218e-20 - HS- 1.827e-20 1.286e-20 -19.738 -19.891 -0.152 21.00 - H2S 3.915e-21 4.106e-21 -20.407 -20.387 0.021 36.27 - S-2 1.446e-25 4.255e-26 -24.840 -25.371 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -42.072 -42.051 0.021 30.09 + O2 0.000e+00 0.000e+00 -64.510 -64.489 0.021 30.40 +S(-2) 2.233e-20 + HS- 1.839e-20 1.295e-20 -19.735 -19.888 -0.152 21.00 + H2S 3.941e-21 4.134e-21 -20.404 -20.384 0.021 36.27 + S-2 1.456e-25 4.284e-26 -24.837 -25.368 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -42.066 -42.046 0.021 30.09 S(6) 8.778e-03 SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.540 28.43 NaSO4- 2.799e-03 2.088e-03 -2.553 -2.680 -0.127 -0.71 @@ -1640,7 +1635,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+02 1.000e+02 -2.667e-04 Specific Conductance (µS/cm, 25°C) = 236 Density (g/cm³) = 0.99718 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89181 + Viscosity (mPa s) = 0.89184 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.478e-03 Mass of water (kg) = 1.000e+00 @@ -1791,10 +1786,10 @@ Pyrite -0.00 -18.48 -18.48 1.000e+02 1.000e+02 -1.333e-03 pH = 6.945 Charge balance pe = -2.661 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 899 + Specific Conductance (µS/cm, 25°C) = 898 Density (g/cm³) = 0.99764 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89538 + Viscosity (mPa s) = 0.89607 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.382e-02 Mass of water (kg) = 1.000e+00 @@ -1945,10 +1940,10 @@ Pyrite 0.00 -18.48 -18.48 1.000e+02 1.000e+02 -2.667e-03 pH = 6.608 Charge balance pe = -2.205 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1504 + Specific Conductance (µS/cm, 25°C) = 1503 Density (g/cm³) = 0.99812 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89829 + Viscosity (mPa s) = 0.90007 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.366e-02 Mass of water (kg) = 9.999e-01 @@ -2099,10 +2094,10 @@ Pyrite -0.00 -18.48 -18.48 1.000e+02 9.999e+01 -1.334e-02 pH = 5.962 Charge balance pe = -1.323 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 4877 + Specific Conductance (µS/cm, 25°C) = 4859 Density (g/cm³) = 1.00137 Volume (L) = 1.00387 - Viscosity (mPa s) = 0.91130 + Viscosity (mPa s) = 0.91947 Activity of water = 0.999 Ionic strength (mol/kgw) = 8.182e-02 Mass of water (kg) = 9.998e-01 @@ -2321,7 +2316,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+02 1.000e+02 -8.652e-04 Specific Conductance (µS/cm, 25°C) = 363 Density (g/cm³) = 0.99730 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89262 + Viscosity (mPa s) = 0.89317 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.896e-03 Mass of water (kg) = 1.000e+00 @@ -2450,7 +2445,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+02 1.000e+02 -8.594e-04 Specific Conductance (µS/cm, 25°C) = 748 Density (g/cm³) = 0.99754 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89494 + Viscosity (mPa s) = 0.89539 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.167e-02 Mass of water (kg) = 1.000e+00 @@ -2579,10 +2574,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+02 1.000e+02 -1.746e-03 pH = 7.140 Charge balance pe = -1.641 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1069 + Specific Conductance (µS/cm, 25°C) = 1068 Density (g/cm³) = 0.99779 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89658 + Viscosity (mPa s) = 0.89699 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.702e-02 Mass of water (kg) = 1.000e+00 @@ -2714,7 +2709,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+02 1.000e+02 -2.648e-03 Specific Conductance (µS/cm, 25°C) = 1364 Density (g/cm³) = 0.99804 Volume (L) = 1.00322 - Viscosity (mPa s) = 0.89795 + Viscosity (mPa s) = 0.89832 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.209e-02 Mass of water (kg) = 1.000e+00 @@ -2846,7 +2841,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+02 1.000e+02 -3.560e-03 Specific Conductance (µS/cm, 25°C) = 1644 Density (g/cm³) = 0.99829 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.89916 + Viscosity (mPa s) = 0.89951 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.696e-02 Mass of water (kg) = 1.000e+00 @@ -3001,7 +2996,7 @@ Dolomite 0.00 -17.28 -17.28 1.000e+02 1.000e+02 -7.885e-04 Specific Conductance (µS/cm, 35°C) = 894 Density (g/cm³) = 0.99451 Volume (L) = 1.00612 - Viscosity (mPa s) = 0.72328 + Viscosity (mPa s) = 0.72378 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.124e-02 Mass of water (kg) = 1.000e+00 @@ -3131,10 +3126,10 @@ Dolomite 0.00 -17.52 -17.52 1.000e+02 1.000e+02 -1.623e-03 pH = 6.885 Charge balance pe = -1.426 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 1469 + Specific Conductance (µS/cm, 45°C) = 1468 Density (g/cm³) = 0.99092 Volume (L) = 1.01009 - Viscosity (mPa s) = 0.60053 + Viscosity (mPa s) = 0.60098 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-02 Mass of water (kg) = 1.000e+00 @@ -3264,10 +3259,10 @@ Dolomite 0.00 -17.80 -17.80 1.000e+02 1.000e+02 -2.532e-03 pH = 6.717 Charge balance pe = -1.173 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 2095 + Specific Conductance (µS/cm, 55°C) = 2094 Density (g/cm³) = 0.98662 Volume (L) = 1.01481 - Viscosity (mPa s) = 0.50857 + Viscosity (mPa s) = 0.50899 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.920e-02 Mass of water (kg) = 1.000e+00 @@ -3397,10 +3392,10 @@ Dolomite 0.00 -18.12 -18.12 1.000e+02 1.000e+02 -3.547e-03 pH = 6.575 Charge balance pe = -0.845 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2754 + Specific Conductance (µS/cm, 65°C) = 2753 Density (g/cm³) = 0.98169 Volume (L) = 1.02021 - Viscosity (mPa s) = 0.43783 + Viscosity (mPa s) = 0.43820 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.207e-02 Mass of water (kg) = 1.000e+00 @@ -3558,7 +3553,7 @@ Dolomite 0.00 -17.28 -17.28 1.000e+02 1.000e+02 -7.901e-04 Specific Conductance (µS/cm, 35°C) = 901 Density (g/cm³) = 0.99451 Volume (L) = 1.00616 - Viscosity (mPa s) = 0.72318 + Viscosity (mPa s) = 0.72404 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.128e-02 Mass of water (kg) = 1.000e+00 @@ -3690,10 +3685,10 @@ Dolomite 0.00 -17.52 -17.52 1.000e+02 1.000e+02 -1.520e-03 pH = 6.733 Charge balance pe = -3.663 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 1465 + Specific Conductance (µS/cm, 45°C) = 1464 Density (g/cm³) = 0.99089 Volume (L) = 1.01017 - Viscosity (mPa s) = 0.60048 + Viscosity (mPa s) = 0.60158 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.533e-02 Mass of water (kg) = 1.000e+00 @@ -3825,10 +3820,10 @@ Dolomite 0.00 -17.80 -17.80 1.000e+02 1.000e+02 -2.241e-03 pH = 6.535 Charge balance pe = -3.596 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 2053 + Specific Conductance (µS/cm, 55°C) = 2051 Density (g/cm³) = 0.98654 Volume (L) = 1.01494 - Viscosity (mPa s) = 0.50861 + Viscosity (mPa s) = 0.50987 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.839e-02 Mass of water (kg) = 1.000e+00 @@ -3960,10 +3955,10 @@ Dolomite 0.00 -18.12 -18.12 1.000e+02 1.000e+02 -2.997e-03 pH = 6.372 Charge balance pe = -3.560 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2648 + Specific Conductance (µS/cm, 65°C) = 2644 Density (g/cm³) = 0.98156 Volume (L) = 1.02039 - Viscosity (mPa s) = 0.43796 + Viscosity (mPa s) = 0.43927 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.066e-02 Mass of water (kg) = 1.000e+00 @@ -4123,10 +4118,10 @@ Pyrite 0.00 -18.21 -18.21 1.000e+02 1.000e+02 2.666e-04 pH = 7.036 Charge balance pe = -3.058 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 839 + Specific Conductance (µS/cm, 35°C) = 838 Density (g/cm³) = 0.99448 Volume (L) = 1.00615 - Viscosity (mPa s) = 0.72306 + Viscosity (mPa s) = 0.72380 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.052e-02 Mass of water (kg) = 1.000e+00 @@ -4300,10 +4295,10 @@ Pyrite 0.00 -17.96 -17.96 1.000e+02 1.000e+02 5.333e-04 pH = 6.787 Charge balance pe = -2.943 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 45°C) = 1348 + Specific Conductance (µS/cm, 45°C) = 1347 Density (g/cm³) = 0.99084 Volume (L) = 1.01015 - Viscosity (mPa s) = 0.60031 + Viscosity (mPa s) = 0.60123 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.417e-02 Mass of water (kg) = 1.000e+00 @@ -4477,10 +4472,10 @@ Pyrite -0.00 -17.72 -17.72 1.000e+02 1.000e+02 7.999e-04 pH = 6.590 Charge balance pe = -2.894 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 55°C) = 1886 + Specific Conductance (µS/cm, 55°C) = 1885 Density (g/cm³) = 0.98649 Volume (L) = 1.01491 - Viscosity (mPa s) = 0.50844 + Viscosity (mPa s) = 0.50947 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.699e-02 Mass of water (kg) = 1.000e+00 @@ -4654,10 +4649,10 @@ Pyrite 0.00 -17.50 -17.50 1.000e+02 1.000e+02 1.067e-03 pH = 6.426 Charge balance pe = -2.881 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 65°C) = 2437 + Specific Conductance (µS/cm, 65°C) = 2434 Density (g/cm³) = 0.98151 Volume (L) = 1.02035 - Viscosity (mPa s) = 0.43779 + Viscosity (mPa s) = 0.43888 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.914e-02 Mass of water (kg) = 1.000e+00 @@ -9634,7 +9629,6 @@ Na 4.855e-01 NaHCO3 1.963e-04 2.673e-04 -3.707 -3.573 0.134 31.73 NaF 3.858e-06 4.503e-06 -5.414 -5.346 0.067 7.26 NaHPO4- 2.702e-08 1.825e-08 -7.568 -7.739 -0.170 81.25 - NaOH 4.773e-17 5.571e-17 -16.321 -16.254 0.067 (0) O(0) 4.380e-04 O2 2.190e-04 2.556e-04 -3.660 -3.592 0.067 30.40 P 6.548e-07 @@ -9820,11 +9814,11 @@ CO2(g) -3.00 -4.47 -1.47 0.000e+00 1.584e+00 1.584e+00 Calcite 0.00 -8.48 -8.48 1.000e+00 3.579e+00 2.579e+00 Chalcedony 0.00 -3.55 -3.55 2.100e+00 9.989e-02 -2.000e+00 Dolomite 0.00 -17.08 -17.08 1.000e+00 6.695e-01 -3.305e-01 -FeS(ppt) -0.00 -3.92 -3.92 1.000e+00 6.664e-01 -3.336e-01 +FeS(ppt) 0.00 -3.91 -3.92 1.000e+00 6.664e-01 -3.336e-01 Gibbsite -1.65 6.40 8.05 2.000e+00 0 -2.000e+00 Goethite -0.00 -1.00 -1.00 1.000e+00 2.334e+00 1.334e+00 Gypsum 0.00 -4.58 -4.58 1.000e+00 2.347e+00 1.347e+00 -Kaolinite -0.00 5.71 5.71 5.000e+00 6.000e+00 1.000e+00 +Kaolinite 0.00 5.71 5.71 5.000e+00 6.000e+00 1.000e+00 O2(g) -68.80 -71.69 -2.89 1.000e+00 0 -1.000e+00 Siderite -1.83 -12.72 -10.89 1.000e+00 0 -1.000e+00 Sulfur -3.09 1.79 4.88 0.000e+00 0 0.000e+00 @@ -9915,7 +9909,7 @@ X 3.000e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = -3.209e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 47 + Iterations = 20 Total H = 1.067980e+02 Total O = 5.346728e+01 @@ -10110,7 +10104,6 @@ Na 5.211e-01 NaHCO3 2.571e-05 4.969e-05 -4.590 -4.304 0.286 31.73 NaF 2.131e-06 2.962e-06 -5.671 -5.528 0.143 7.26 NaHPO4- 1.417e-08 9.037e-09 -7.849 -8.044 -0.195 134.90 - NaOH 2.744e-18 3.815e-18 -17.562 -17.418 0.143 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -71.836 -71.693 0.143 30.40 P 6.807e-07 @@ -10194,7 +10187,7 @@ Sr 1.658e-05 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Epsomite -3.04 -4.78 -1.74 MgSO4:7H2O Fe(OH)3(a) -5.91 -1.01 4.89 Fe(OH)3 - FeS(ppt) -0.00 -3.92 -3.92 FeS + FeS(ppt) 0.00 -3.91 -3.92 FeS Fluorite -0.48 -11.08 -10.60 CaF2 Gibbsite -1.65 6.40 8.05 Al(OH)3 Goethite -0.00 -1.00 -1.00 FeOOH @@ -10211,9 +10204,9 @@ Sr 1.658e-05 Jarosite-K -24.50 -33.71 -9.21 KFe3(SO4)2(OH)6 K-feldspar -2.57 -23.14 -20.57 KAlSi3O8 K-mica -0.36 12.35 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 + Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 Kieserite -3.53 -4.69 -1.16 MgSO4:H2O - Mackinawite 0.73 -3.92 -4.65 FeS + Mackinawite 0.73 -3.91 -4.65 FeS Manganite -17.52 7.82 25.34 MnOOH Melanterite -6.68 -8.89 -2.21 FeSO4:7H2O Microcline -1.35 -0.48 0.88 KAlSi3O8 @@ -10274,11 +10267,11 @@ Anhydrite -0.16 -4.55 -4.39 1.000e+00 0 -1.000e+00 Aragonite -0.16 -8.56 -8.41 2.500e+00 0 -2.500e+00 CO2(g) -3.00 -4.58 -1.58 0.000e+00 1.834e+00 1.834e+00 Calcite 0.00 -8.56 -8.56 1.000e+00 3.417e+00 2.417e+00 -Chalcedony -0.00 -3.44 -3.44 2.100e+00 9.988e-02 -2.000e+00 -Dolomite -0.00 -17.28 -17.28 1.000e+00 6.257e-01 -3.743e-01 +Chalcedony 0.00 -3.44 -3.44 2.100e+00 9.988e-02 -2.000e+00 +Dolomite 0.00 -17.28 -17.28 1.000e+00 6.257e-01 -3.743e-01 FeS(ppt) 0.00 -3.91 -3.92 1.000e+00 6.664e-01 -3.336e-01 Gibbsite -1.64 5.86 7.51 2.000e+00 0 -2.000e+00 -Goethite -0.00 -1.34 -1.34 1.000e+00 2.334e+00 1.334e+00 +Goethite 0.00 -1.34 -1.34 1.000e+00 2.334e+00 1.334e+00 Gypsum 0.00 -4.59 -4.59 1.000e+00 2.350e+00 1.350e+00 Kaolinite 0.00 4.87 4.87 5.000e+00 6.000e+00 1.000e+00 O2(g) -66.37 -69.33 -2.96 1.000e+00 0 -1.000e+00 @@ -10359,7 +10352,7 @@ X 3.000e+00 mol pH = 6.805 Charge balance pe = -3.409 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 137121 + Specific Conductance (µS/cm, 35°C) = 137120 Density (g/cm³) = 1.05945 Volume (L) = 0.99516 Viscosity (mPa s) = 0.91002 @@ -10371,7 +10364,7 @@ X 3.000e+00 mol Temperature (°C) = 35.00 Electrical balance (eq) = -3.880e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 19 + Iterations = 20 Total H = 1.072843e+02 Total O = 5.369651e+01 @@ -10566,7 +10559,6 @@ Na 6.212e-01 NaHCO3 1.731e-05 4.636e-05 -4.762 -4.334 0.428 31.62 NaF 1.238e-06 2.027e-06 -5.907 -5.693 0.214 7.59 NaHPO4- 9.579e-09 5.899e-09 -8.019 -8.229 -0.211 206.14 - NaOH 3.982e-18 6.518e-18 -17.400 -17.186 0.214 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.546 -69.332 0.214 31.10 P 6.776e-07 @@ -10643,17 +10635,17 @@ Sr 2.449e-05 Calcite 0.00 -8.56 -8.56 CaCO3 Celestite -2.03 -8.75 -6.71 SrSO4 CH4(g) -5.76 -8.65 -2.88 CH4 - Chalcedony -0.00 -3.44 -3.44 SiO2 + Chalcedony 0.00 -3.44 -3.44 SiO2 Chlorite(14A) -1.28 63.50 64.78 Mg5Al2Si3O10(OH)8 Chrysotile -0.65 30.35 31.00 Mg3Si2O5(OH)4 CO2(g) -3.00 -4.58 -1.58 CO2 Pressure 0.0 atm, phi 1.000 - Dolomite -0.00 -17.28 -17.28 CaMg(CO3)2 + Dolomite 0.00 -17.28 -17.28 CaMg(CO3)2 Epsomite -3.17 -4.85 -1.68 MgSO4:7H2O Fe(OH)3(a) -6.26 -1.37 4.89 Fe(OH)3 FeS(ppt) 0.00 -3.91 -3.92 FeS Fluorite -0.85 -11.34 -10.49 CaF2 Gibbsite -1.64 5.86 7.51 Al(OH)3 - Goethite -0.00 -1.34 -1.34 FeOOH + Goethite 0.00 -1.34 -1.34 FeOOH Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -6.86 -9.98 -3.12 H2 H2O(g) -1.28 -0.02 1.26 H2O diff --git a/mytest/phreeqc.test_101.sel b/mytest/phreeqc.test_101.sel index 16fe9f016..297da7e83 100644 --- a/mytest/phreeqc.test_101.sel +++ b/mytest/phreeqc.test_101.sel @@ -1,79 +1,79 @@ Mu SC - 0.671096058174 52908.4652749655 + 0.671096058174 52908.4021255105 0.000000100661 0.0546997340 - 0.004825593442 307.7198457080 - 0.671118165638 52907.2889113588 - 0.207037755769 18328.8644255200 - 0.207294558112 18496.6066948685 - 0.207123389834 18332.1008067122 + 0.004825593442 307.6125352977 + 0.671118165638 52907.2257230945 + 0.207037755769 18328.5449011668 + 0.207294558112 18496.0394831487 + 0.207123389834 18331.8318055594 0.000000100661 0.0546997340 - 0.000386037400 36.1765186692 - 0.003478455093 236.4039122082 - 0.013822097830 899.2224798109 - 0.023658453718 1504.3895186522 - 0.081818621162 4877.8568674302 + 0.000386037400 36.1764316546 + 0.003478455093 236.4009547494 + 0.013822097830 898.8913678100 + 0.023658453718 1503.0043087512 + 0.081818621162 4859.5816383848 0.000000100644 0.0547821292 - 0.005895647403 363.2482520455 - 0.011674625747 748.8897050788 - 0.017018003543 1069.1689972598 - 0.022087930473 1364.5933763398 - 0.026963875335 1644.5520046495 - 0.011236280565 894.6411287348 - 0.015616524725 1469.3413993934 - 0.019195656853 2095.4345419798 - 0.022072072793 2754.9536871805 - 0.011280564723 901.7542443839 - 0.015330544524 1465.4413788564 - 0.018387748626 2053.5636194015 - 0.020655612956 2648.3877548302 - 0.010523812235 839.2981144244 - 0.014165232070 1348.3199108594 - 0.016994682837 1886.8723674672 - 0.019144934665 2437.2854569452 + 0.005895647403 363.1206305787 + 0.011674625747 748.7066090214 + 0.017018003543 1068.9492589078 + 0.022087930473 1364.3422252415 + 0.026963875335 1644.2710391766 + 0.011236280565 894.3504113414 + 0.015616524725 1468.8446661798 + 0.019195656853 2094.6967865283 + 0.022072072793 2753.9657117635 + 0.011280564723 901.2332131391 + 0.015330544524 1464.2025940244 + 0.018387748626 2051.3076428952 + 0.020655612956 2644.9527485471 + 0.010523812235 838.8762632912 + 0.014165232070 1347.3712507480 + 0.016994682837 1885.1628575377 + 0.019144934665 2434.6658748750 0.000000100644 0.0547821292 0.000000100644 0.0547821292 0.000000126671 0.0574612478 - 0.000002184622 0.4991345752 - 0.000020102076 4.0468376226 - 0.000127310996 14.1617567910 - 0.000003029023 0.6908453944 - 0.000021985904 3.9560065351 - 0.000001012956 0.2402986444 - 0.000002006764 0.4605370733 - 0.000003004549 0.6852857737 - 0.000004003348 0.9185164607 - 0.000005002672 1.1465782522 - 0.000006002246 1.3690290649 - 0.000007001956 1.5860126200 - 0.000008001751 1.7977942531 - 0.000009001603 2.0046736102 - 0.000010001494 2.2069502171 - 0.000011001414 2.4049096341 - 0.000012001358 2.5988183730 - 0.000013001321 2.7889225349 - 0.000014001299 2.9754484413 - 0.000015001290 3.1586037045 - 0.000016001293 3.3385788399 - 0.000017001306 3.5155487852 - 0.000018001328 3.6896743562 - 0.000019001358 3.8611036494 - 0.000020001396 4.0299732825 - 0.000020234320 4.0387394078 - 0.000020382014 4.0300580214 - 0.000020530202 4.0217114881 - 0.000020678717 4.0136931291 - 0.000020827424 4.0059956848 - 0.000020976206 3.9986114993 - 0.000021124966 3.9915326662 - 0.000021273620 3.9847511395 - 0.000021422099 3.9782588207 - 0.000021570343 3.9720476264 - 0.000021718300 3.9661095399 - 0.000021865928 3.9604366485 - 0.000022109064 3.9729901219 - 0.000022773162 4.0639738755 - 0.000023437384 4.1540013055 - 0.671228159633 52901.5044210401 - 0.671228159633 52901.5044210401 - 1.430973641074 86881.5796162081 - 2.139845238711 137121.0395131250 + 0.000002184622 0.4991345759 + 0.000020102076 4.0468376656 + 0.000127310996 14.1617574786 + 0.000003029023 0.6908453956 + 0.000021985904 3.9560065792 + 0.000001012956 0.2402986446 + 0.000002006764 0.4605370739 + 0.000003004549 0.6852857749 + 0.000004003348 0.9185164628 + 0.000005002672 1.1465782554 + 0.000006002246 1.3690290695 + 0.000007001956 1.5860126261 + 0.000008001751 1.7977942610 + 0.000009001603 2.0046736201 + 0.000010001494 2.2069502291 + 0.000011001414 2.4049096484 + 0.000012001358 2.5988183899 + 0.000013001321 2.7889225545 + 0.000014001299 2.9754484637 + 0.000015001290 3.1586037299 + 0.000016001293 3.3385788685 + 0.000017001306 3.5155488170 + 0.000018001328 3.6896743915 + 0.000019001358 3.8611036883 + 0.000020001396 4.0299733251 + 0.000020234320 4.0387394508 + 0.000020382014 4.0300580646 + 0.000020530202 4.0217115313 + 0.000020678717 4.0136931724 + 0.000020827424 4.0059957283 + 0.000020976206 3.9986115428 + 0.000021124966 3.9915327099 + 0.000021273620 3.9847511832 + 0.000021422099 3.9782588645 + 0.000021570343 3.9720476703 + 0.000021718300 3.9661095839 + 0.000021865928 3.9604366926 + 0.000022109064 3.9729901665 + 0.000022773162 4.0639739224 + 0.000023437384 4.1540013547 + 0.671228159633 52901.4474035112 + 0.671228159633 52901.4474035112 + 1.430973641074 86881.3479376634 + 2.139845238711 137120.8012706201 diff --git a/mytest/phrqpitz.tst.out b/mytest/phrqpitz.tst.out index de383c701..044e2e63e 100644 --- a/mytest/phrqpitz.tst.out +++ b/mytest/phrqpitz.tst.out @@ -75,10 +75,10 @@ Initial solution 1. Canadian Shield Brine T-93. pH = 5.000 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 197603 + Specific Conductance (µS/cm, 18°C) = 197556 Density (g/cm³) = 1.23165 Volume (L) = 1.11156 - Viscosity (mPa s) = 2.47606 + Viscosity (mPa s) = 2.47679 Activity of water = 0.723 Ionic strength (mol/kgw) = 8.590e+00 Mass of water (kg) = 1.000e+00 @@ -232,10 +232,10 @@ Initial solution 1. Canadian Shield Brine T-93. pH = 5.000 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 197500 + Specific Conductance (µS/cm, 18°C) = 197354 Density (g/cm³) = 1.23166 Volume (L) = 1.11185 - Viscosity (mPa s) = 2.47607 + Viscosity (mPa s) = 2.47835 Activity of water = 0.723 Ionic strength (mol/kgw) = 8.590e+00 Mass of water (kg) = 1.000e+00 @@ -394,10 +394,10 @@ Initial solution 1. Canadian Shield Brine T-93. pH = 5.000 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 197603 + Specific Conductance (µS/cm, 18°C) = 197556 Density (g/cm³) = 1.23165 Volume (L) = 1.11156 - Viscosity (mPa s) = 2.47606 + Viscosity (mPa s) = 2.47679 Activity of water = 0.723 Ionic strength (mol/kgw) = 8.590e+00 Mass of water (kg) = 1.000e+00 @@ -713,10 +713,10 @@ Initial solution 1. Canadian Shield Brine T-93. pH = 5.000 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 197500 + Specific Conductance (µS/cm, 18°C) = 197354 Density (g/cm³) = 1.23166 Volume (L) = 1.11185 - Viscosity (mPa s) = 2.47607 + Viscosity (mPa s) = 2.47835 Activity of water = 0.723 Ionic strength (mol/kgw) = 8.590e+00 Mass of water (kg) = 1.000e+00 @@ -1741,7 +1741,7 @@ Halite -0.00 0.34 0.34 1.000e+02 8.791e+01 -1.209e+01 pH = 4.151 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 300°C) = 876551 + Specific Conductance (µS/cm, 300°C) = 876550 Density (g/cm³) = 0.85026 Volume (L) = 2.00707 Viscosity (mPa s) = 0.27632 (solute contributions limited to 200 °C) @@ -1882,7 +1882,7 @@ Calcite 0.00 -8.41 -8.41 1.000e+01 9.998e+00 -1.730e-03 Specific Conductance (µS/cm, 25°C) = 329 Density (g/cm³) = 0.99727 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89215 + Viscosity (mPa s) = 0.89234 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.194e-03 Mass of water (kg) = 1.000e+00 @@ -2026,10 +2026,10 @@ Halite 0.00 1.58 1.58 1.000e+01 3.873e+00 -6.127e+00 pH = 7.204 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 250513 + Specific Conductance (µS/cm, 25°C) = 250512 Density (g/cm³) = 1.19776 Volume (L) = 1.13415 - Viscosity (mPa s) = 1.76662 + Viscosity (mPa s) = 1.76664 Activity of water = 0.753 Ionic strength (mol/kgw) = 6.135e+00 Mass of water (kg) = 1.000e+00 @@ -2135,7 +2135,7 @@ Calcite 0.00 -8.41 -8.41 1.000e+01 1.000e+01 -2.900e-04 Specific Conductance (µS/cm, 25°C) = 55517 Density (g/cm³) = 1.02164 Volume (L) = 1.01417 - Viscosity (mPa s) = 0.94163 + Viscosity (mPa s) = 0.94164 Activity of water = 0.980 Ionic strength (mol/kgw) = 6.191e-01 Mass of water (kg) = 1.000e+00 @@ -2238,10 +2238,10 @@ Calcite 0.00 -8.41 -8.41 1.000e+01 1.000e+01 -3.198e-04 pH = 7.832 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 136566 + Specific Conductance (µS/cm, 25°C) = 136565 Density (g/cm³) = 1.06664 Volume (L) = 1.03854 - Viscosity (mPa s) = 1.06069 + Viscosity (mPa s) = 1.06070 Activity of water = 0.937 Ionic strength (mol/kgw) = 1.845e+00 Mass of water (kg) = 1.000e+00 @@ -2344,7 +2344,7 @@ Calcite 0.00 -8.41 -8.41 1.000e+01 1.000e+01 -2.663e-04 pH = 7.697 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 191579 + Specific Conductance (µS/cm, 25°C) = 191578 Density (g/cm³) = 1.10791 Volume (L) = 1.06450 Viscosity (mPa s) = 1.21521 @@ -2450,10 +2450,10 @@ Calcite 0.00 -8.41 -8.41 1.000e+01 1.000e+01 -1.731e-04 pH = 7.514 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 226164 + Specific Conductance (µS/cm, 25°C) = 226163 Density (g/cm³) = 1.14598 Volume (L) = 1.09165 - Viscosity (mPa s) = 1.40699 + Viscosity (mPa s) = 1.40700 Activity of water = 0.839 Ionic strength (mol/kgw) = 4.296e+00 Mass of water (kg) = 1.000e+00 @@ -2556,10 +2556,10 @@ Calcite 0.00 -8.41 -8.41 1.000e+01 1.000e+01 -6.072e-05 pH = 7.310 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 245324 + Specific Conductance (µS/cm, 25°C) = 245323 Density (g/cm³) = 1.18116 Volume (L) = 1.11976 - Viscosity (mPa s) = 1.63703 + Viscosity (mPa s) = 1.63705 Activity of water = 0.782 Ionic strength (mol/kgw) = 5.522e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/phrqpitz.tst_101.sel b/mytest/phrqpitz.tst_101.sel index 4d81d33e6..33b4d4e55 100644 --- a/mytest/phrqpitz.tst_101.sel +++ b/mytest/phrqpitz.tst_101.sel @@ -1,30 +1,30 @@ Mu SC - 8.590228398682 197603.7559533846 - 8.590235730666 197500.2595582870 - 8.590228398682 197603.7559533846 - 8.589566111936 197677.6767276451 - 8.590235730666 197500.2595582870 - 8.589565072691 197677.6780619438 - 0.000000100645 0.0546913898 - 17.631685962655 82975.0213449159 - 0.000000100645 0.0546913898 - 7.896826750403 252024.9190626956 - 0.000000100645 0.0546913898 - 6.132053767211 140008.3059618879 - 6.129227619863 250788.9050902683 - 6.724229237525 645133.4339026128 - 7.877482760965 1124796.3835149643 - 12.089226305221 876551.7068463400 - 0.000000100645 0.0546913898 - 0.005194305296 329.4153107039 - 0.000000100645 0.0546913898 - 6.134557673855 250513.8789957803 - 0.619053387284 55517.8971818281 - 1.845059039274 136566.1094674505 - 3.070764704979 191579.0483281257 - 4.296325341966 226164.8424458098 - 5.521821911657 245324.7268908098 - 0.722376494563 52662.2955162469 - 0.719440607120 52608.7336550185 - 2.492473611857 140266.3190862175 - 7.309596614832 226882.4562731790 + 8.590228398682 197556.8810649296 + 8.590235730666 197354.4233618494 + 8.590228398682 197556.8810649296 + 8.589566111936 197677.4748990255 + 8.590235730666 197354.4233618494 + 8.589565072691 197677.4762332350 + 0.000000100645 0.0546913899 + 17.631685962655 82975.0168504009 + 0.000000100645 0.0546913899 + 7.896826750403 252024.9183298373 + 0.000000100645 0.0546913899 + 6.132053767211 140008.3058187940 + 6.129227619863 250788.9042982318 + 6.724229237525 645133.4136236404 + 7.877482760965 1124796.1875213496 + 12.089226305221 876550.8658830508 + 0.000000100645 0.0546913899 + 0.005194305296 329.3285853606 + 0.000000100645 0.0546913899 + 6.134557673855 250512.2577736141 + 0.619053387284 55517.5833056215 + 1.845059039274 136565.6017308606 + 3.070764704979 191578.3241483942 + 4.296325341966 226163.8342409307 + 5.521821911657 245323.3386268463 + 0.722376494563 52662.2178871806 + 0.719440607120 52608.6910957837 + 2.492473611857 140266.2387143951 + 7.309596614832 226882.4094273900 diff --git a/mytest/pitzalphas.out b/mytest/pitzalphas.out index e72cb22a8..b40476920 100644 --- a/mytest/pitzalphas.out +++ b/mytest/pitzalphas.out @@ -84,10 +84,10 @@ Osmotic coefficient: 1.6378e+00 pH = 5.000 pe = 4.000 - Specific Conductance (µS/cm, 18°C) = 197603 + Specific Conductance (µS/cm, 18°C) = 197556 Density (g/cm³) = 1.23165 Volume (L) = 1.11156 - Viscosity (mPa s) = 2.47606 + Viscosity (mPa s) = 2.47679 Activity of water = 0.723 Ionic strength (mol/kgw) = 8.590e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/pitzalphas_101.sel b/mytest/pitzalphas_101.sel index 243176d41..efb2edc53 100644 --- a/mytest/pitzalphas_101.sel +++ b/mytest/pitzalphas_101.sel @@ -1,2 +1,2 @@ Mu SC - 8.590228411868 197603.7552287848 + 8.590228411868 197556.8800993445 diff --git a/mytest/pitzer_redef_101.sel b/mytest/pitzer_redef_101.sel index 69ce6abad..421d27b8b 100644 --- a/mytest/pitzer_redef_101.sel +++ b/mytest/pitzer_redef_101.sel @@ -1,2 +1,2 @@ Mu SC - 5.809999714942 121002.9319032775 + 5.809999714942 121002.9269752406 diff --git a/mytest/pitzer_redef_2_101.sel b/mytest/pitzer_redef_2_101.sel index ed826edd9..da0d23c1a 100644 --- a/mytest/pitzer_redef_2_101.sel +++ b/mytest/pitzer_redef_2_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.000000100645 0.0546913894 - 6.000000289850 174734.5722539740 - 6.000000289850 174734.5722539740 - 6.000000289850 174734.5722539740 + 0.000000100645 0.0546913895 + 6.000000289850 174734.5674846183 + 6.000000289850 174734.5674846183 + 6.000000289850 174734.5674846183 diff --git a/mytest/pitzgas.out b/mytest/pitzgas.out index 4b8b42fe4..fdc4741bf 100644 --- a/mytest/pitzgas.out +++ b/mytest/pitzgas.out @@ -150,10 +150,10 @@ H2O(g) -1.50 3.171e-02 0.990 0.000e+00 2.197e-03 2.197e-03 pH = 3.913 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 48 + Specific Conductance (µS/cm, 25°C) = 47 Density (g/cm³) = 0.99736 Volume (L) = 1.00406 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.89239 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.237e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/pitzgas_101.sel b/mytest/pitzgas_101.sel index 1530bf7ec..25240090a 100644 --- a/mytest/pitzgas_101.sel +++ b/mytest/pitzgas_101.sel @@ -1,3 +1,3 @@ Mu SC 0.000000100644 0.0547821166 - 0.000123731111 48.1443270730 + 0.000123731111 47.7861300267 diff --git a/mytest/ppdump.dmp b/mytest/ppdump.dmp index db0e53a46..4815be0a8 100644 --- a/mytest/ppdump.dmp +++ b/mytest/ppdump.dmp @@ -6,7 +6,7 @@ SOLUTION_RAW 1 -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -17,7 +17,7 @@ SOLUTION_RAW 1 -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -33,7 +33,7 @@ SOLUTION_RAW 2 -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -44,7 +44,7 @@ SOLUTION_RAW 2 -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -60,7 +60,7 @@ SOLUTION_RAW 3 -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -71,7 +71,7 @@ SOLUTION_RAW 3 -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -661,43 +661,43 @@ SOLUTION_RAW 3 Solution after simulation 14. -pressure 300 -potential 0 -total_h 111.02097669946 - -total_o 55.569362375094 - -cb 0.00018244632271243 + -total_o 55.569362375096 + -cb 0.00018244632275129 -density 1.0105593314927 - -viscosity 0.81226711182609 + -viscosity 0.8122752878 -totals - Ba 9.7854536543711e-07 - C(-4) 1.6248550645529e-14 - C(4) 0.016235677384032 - Ca 1.3566418233194e-05 - Cl 0.0024999999999951 - Fe(2) 4.0446464473082e-09 - Fe(3) 3.2040304691179e-11 - H(0) 1.2687301576903e-11 - Na 0.033768689326395 - S(-2) 2.597604485357e-12 - S(6) 0.0036150000152854 - -pH 9.8611364075291 - -pe -5.9243764220945 - -mu 0.042596931268172 - -ah2o 0.99906312930994 - -mass_water 0.99999664419203 - -soln_vol 0.99172357056608 - -total_alkalinity 0.023885341021647 + Ba 9.7854536558955e-07 + C(-4) 1.5355022078563e-14 + C(4) 0.016235677385881 + Ca 1.3566418233355e-05 + Cl 0.002499999999998 + Fe(2) 4.0446464464897e-09 + Fe(3) 3.2267636793227e-11 + H(0) 1.2509162011826e-11 + Na 0.033768689326175 + S(-2) 2.4547588935524e-12 + S(6) 0.0036150000145016 + -pH 9.8611364073805 + -pe -5.9213058990161 + -mu 0.042596931266962 + -ah2o 0.99906312930993 + -mass_water 0.99999664419201 + -soln_vol 0.99172357056611 + -total_alkalinity 0.023885341023181 -activities - Ba -6.7128994661292 - C(-4) -13.785016509304 - C(4) -2.4327015402393 - Ca -5.8145726826841 - Cl -2.6852871894907 - E 5.9243764220945 - Fe(2) -10.279469951527 - Fe(3) -29.20704258683 - H(0) -11.193422654028 - Na -1.5653749026867 - O(0) -68.675940598693 - S(-2) -11.671544037194 - S(6) -2.8968859216287 + Ba -6.7128994660371 + C(-4) -13.80965757836 + C(4) -2.4327015402681 + Ca -5.8145726826544 + Cl -2.6852871894892 + E 5.9213058990161 + Fe(2) -10.27946995158 + Fe(3) -29.20396245307 + H(0) -11.199582921359 + Na -1.5653749026866 + O(0) -68.66362006403 + S(-2) -11.696185106463 + S(6) -2.8968859217203 -gammas EQUILIBRIUM_PHASES_RAW 3 Pure-phase assemblage after simulation 14. # EXCHANGE_MODIFY candidates; use new_def=true # @@ -705,7 +705,7 @@ EQUILIBRIUM_PHASES_RAW 3 Pure-phase assemblage after simulation 14. -component Barite # EQUILIBRIUM_PHASES_MODIFY candidate identifiers # -si 0 - -moles 9.9978605940905 + -moles 9.9978605940903 -force_equality 0 -dissolve_only 0 -precipitate_only 0 @@ -726,13 +726,13 @@ EXCHANGE_RAW 3 Exchange assemblage after simulation 14. -component X # EXCHANGE_MODIFY candidate identifiers # -totals - Ba 0.001380787552158 - Ca 0.0077292399662909 - Fe 1.0371110902722e-07 - Na 0.98177974317062 - X 1.0000000056297 + Ba 0.0013807875525697 + Ca 0.0077292399674904 + Fe 1.0371110902359e-07 + Na 0.98177974326096 + X 1.0000000057233 -charge_balance 0 - -la 1.4795779925576 + -la 1.4795779925578 -phase_proportion 0 -formula_z 0 # EXCHANGE_MODIFY candidates with new_def=true # @@ -755,28 +755,28 @@ SURFACE_RAW 3 # SURFACE_MODIFY candidate identifiers # -formula_z 0 -moles 0 - -la -0.7374921071568 - -charge_balance -8.3931202774993e-05 + -la -0.73749210708583 + -charge_balance -8.3931202761174e-05 -phase_proportion 0 -Dw 0 -charge_name Hfo -master_element Hfo_s -totals - Ba 0.00075816377389575 - Ca 0.0018078975744457 - Fe 0.00017963772113695 - H 0.0044246706571989 - Hfo_s 0.0099999999989307 - O 0.0099999999989307 + Ba 0.00075816377399388 + Ca 0.0018078975744196 + Fe 0.00017963772106481 + H 0.0044246706576642 + Hfo_s 0.009999999999382 + O 0.009999999999382 -charge_component Hfo # SURFACE_MODIFY candidate identifiers # -specific_area 600 -grams 1 - -charge_balance -8.3931202774993e-05 + -charge_balance -8.3931202761174e-05 -mass_water 0 -f_free 0 -ddl_viscosity 0 - -la_psi -0.23022847108035 + -la_psi -0.23022847104874 -capacitance0 1 -capacitance1 5 -diffuse_layer_totals @@ -800,30 +800,30 @@ SOLID_SOLUTIONS_RAW 3 Solid solution assemblage after simulation 14 # SOLID_SOLUTION_MODIFY candidate identifiers # -component calcite # SOLID_SOLUTION_MODIFY candidate identifiers # - -moles 0.090456086594291 + -moles 0.090456086594524 # Solid solution workspace variables # - -initial_moles 0.090456086594291 + -initial_moles 0.090456086594524 -init_moles 0.1 -delta 0 - -fraction_x 0.99101348130986 + -fraction_x 0.99101348131156 -log10_lambda 0 - -log10_fraction_x -0.0039204375241523 - -dn 10.955741273163 + -log10_fraction_x -0.0039204375234089 + -dn 10.955741273153 -dnc 0 - -dnb -0.09934675518792 + -dnb -0.099346755168912 -component siderite # SOLID_SOLUTION_MODIFY candidate identifiers # - -moles 0.00082025656375746 + -moles 0.00082025656360335 # Solid solution workspace variables # - -initial_moles 0.00082025656375746 + -initial_moles 0.00082025656360335 -init_moles 0.001 -delta 0 - -fraction_x 0.0089865186901403 + -fraction_x 0.0089865186884441 -log10_lambda 0 - -log10_fraction_x -2.0464085181084 - -dn 10.955741273163 + -log10_fraction_x -2.0464085181904 + -dn 10.955741273153 -dnc 0 - -dnb -1208.175009012 + -dnb -1208.1750092411 # SOLID_SOLUTION_MODIFY candidate identifiers with new_def=true # -tk 298.15 -input_case -1 @@ -838,8 +838,8 @@ SOLID_SOLUTIONS_RAW 3 Solid solution assemblage after simulation 14 -miscibility 0 -spinodal 0 -ss_in 1 - -total_moles 0.091276343158048 - -dn 10.955741273163 + -total_moles 0.091276343158127 + -dn 10.955741273153 -totals # SOLID_SOLUTION candidate identifiers with new_def=true # -new_def 0 @@ -852,14 +852,14 @@ GAS_PHASE_RAW 3 Gas phase after simulation 14. -volume 1 -component CO2(g) # GAS_PHASE_MODIFY candidate identifiers # - -moles 1.045170562903e-31 + -moles 1.0451705635491e-31 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -p_read 0.00035 # GasComp workspace variables # -initial_moles 1.4305536417623e-05 - -p 0.00031355116887089 + -p 0.00031355116906472 -phi 0.24830000182343 - -f 7.7854755802381e-05 + -f 7.7854755850508e-05 # GAS_PHASE_MODIFY candidate identifiers with new_def=true # -new_def 0 -solution_equilibria 0 @@ -888,7 +888,7 @@ KINETICS_RAW 3 -d_params 1 1 1 1 # KineticsComp workspace variables # - -moles 8.8743521420298e-09 + -moles 8.8743519199852e-09 -initial_moles 1 -equal_increments 1 -count 1 @@ -896,9 +896,9 @@ KINETICS_RAW 3 1 # KINETICS workspace variables # -totals - C 8.874352186655e-09 - Ca 8.874352186655e-09 - O 2.6623056559965e-08 + C 8.8743519652914e-09 + Ca 8.8743519652914e-09 + O 2.6623055895874e-08 MIX_RAW 3 2 0.5 3 0.5 @@ -934,7 +934,7 @@ SOLUTION_RAW 1 -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -945,7 +945,7 @@ SOLUTION_RAW 1 -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -1144,9 +1144,9 @@ KINETICS_RAW 1 1 # KINETICS workspace variables # -totals - C 9.0981193299376e-13 - Ca 9.0981193299376e-13 - O 2.7294357989813e-12 + C 9.0981193298555e-13 + Ca 9.0981193298555e-13 + O 2.7294357989567e-12 MIX_RAW 1 1 0.5 REACTION_RAW 1 @@ -1181,7 +1181,7 @@ SOLUTION_RAW 1 New soln description -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0020000000000003 H(0) 1.4155655514601e-25 @@ -1192,7 +1192,7 @@ SOLUTION_RAW 1 New soln description -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -2.7144961318746 E -4 diff --git a/mytest/ppdump.out b/mytest/ppdump.out index 03cf21398..bc874f0b2 100644 --- a/mytest/ppdump.out +++ b/mytest/ppdump.out @@ -81,7 +81,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -440,7 +439,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 30°C) = 2942 Density (g/cm³) = 1.00150 Volume (L) = 1.00018 - Viscosity (mPa s) = 0.80794 + Viscosity (mPa s) = 0.80795 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.389e-02 Mass of water (kg) = 1.000e+00 @@ -468,8 +467,8 @@ Ba 7.378e-07 BaSO4 9.779e-08 9.855e-08 -7.010 -7.006 0.003 (0) BaHCO3+ 1.194e-08 1.006e-08 -7.923 -7.997 -0.074 (0) BaOH+ 7.457e-11 6.313e-11 -10.127 -10.200 -0.072 (0) -C(-4) 1.996e-14 - CH4 1.996e-14 2.011e-14 -13.700 -13.697 0.003 35.98 +C(-4) 1.997e-14 + CH4 1.997e-14 2.013e-14 -13.700 -13.696 0.003 35.98 C(4) 1.227e-02 CO3-2 6.149e-03 3.197e-03 -2.211 -2.495 -0.284 -2.02 HCO3- 6.003e-03 5.097e-03 -2.222 -2.293 -0.071 25.42 @@ -493,9 +492,9 @@ Cl 2.000e-03 Cl- 2.000e-03 1.676e-03 -2.699 -2.776 -0.077 18.38 FeCl+ 1.087e-13 9.156e-14 -12.964 -13.038 -0.074 (0) HCl 5.340e-14 5.520e-14 -13.272 -13.258 0.014 (0) - FeCl+2 4.270e-31 2.193e-31 -30.370 -30.659 -0.289 (0) - FeCl2+ 1.786e-33 1.512e-33 -32.748 -32.820 -0.072 (0) - FeCl3 2.705e-37 2.727e-37 -36.568 -36.564 0.003 (0) + FeCl+2 4.269e-31 2.193e-31 -30.370 -30.659 -0.289 (0) + FeCl2+ 1.786e-33 1.512e-33 -32.748 -32.821 -0.072 (0) + FeCl3 2.705e-37 2.726e-37 -36.568 -36.564 0.003 (0) Fe(2) 3.163e-09 FeCO3 2.776e-09 2.798e-09 -8.557 -8.553 0.003 (0) FeOH+ 2.324e-10 1.967e-10 -9.634 -9.706 -0.072 (0) @@ -506,38 +505,37 @@ Fe(2) 3.163e-09 FeSO4 8.299e-12 8.364e-12 -11.081 -11.078 0.003 14.09 FeCl+ 1.087e-13 9.156e-14 -12.964 -13.038 -0.074 (0) FeHSO4+ 6.461e-21 5.444e-21 -20.190 -20.264 -0.074 (0) - Fe(HS)2 4.161e-25 4.193e-25 -24.381 -24.377 0.003 (0) - Fe(HS)3- 1.938e-34 1.633e-34 -33.713 -33.787 -0.074 (0) + Fe(HS)2 4.168e-25 4.200e-25 -24.380 -24.377 0.003 (0) + Fe(HS)3- 1.943e-34 1.637e-34 -33.711 -33.786 -0.074 (0) Fe(3) 4.966e-11 - Fe(OH)4- 4.664e-11 3.961e-11 -10.331 -10.402 -0.071 (0) - Fe(OH)3 3.019e-12 3.042e-12 -11.520 -11.517 0.003 (0) + Fe(OH)4- 4.664e-11 3.960e-11 -10.331 -10.402 -0.071 (0) + Fe(OH)3 3.018e-12 3.042e-12 -11.520 -11.517 0.003 (0) Fe(OH)2+ 1.916e-15 1.627e-15 -14.718 -14.789 -0.071 (0) - FeOH+2 6.777e-22 3.481e-22 -21.169 -21.458 -0.289 (0) - FeSO4+ 6.152e-29 5.208e-29 -28.211 -28.283 -0.072 (0) + FeOH+2 6.776e-22 3.481e-22 -21.169 -21.458 -0.289 (0) + FeSO4+ 6.151e-29 5.208e-29 -28.211 -28.283 -0.072 (0) Fe+3 1.219e-29 3.445e-30 -28.914 -29.463 -0.549 (0) Fe(SO4)2- 1.704e-30 1.436e-30 -29.768 -29.843 -0.074 (0) - FeCl+2 4.270e-31 2.193e-31 -30.370 -30.659 -0.289 (0) - FeCl2+ 1.786e-33 1.512e-33 -32.748 -32.820 -0.072 (0) - FeCl3 2.705e-37 2.727e-37 -36.568 -36.564 0.003 (0) + FeCl+2 4.269e-31 2.193e-31 -30.370 -30.659 -0.289 (0) + FeCl2+ 1.786e-33 1.512e-33 -32.748 -32.821 -0.072 (0) + FeCl3 2.705e-37 2.726e-37 -36.568 -36.564 0.003 (0) FeHSO4+2 2.542e-38 1.281e-38 -37.595 -37.892 -0.298 (0) Fe2(OH)2+4 0.000e+00 0.000e+00 -40.385 -41.575 -1.190 (0) Fe3(OH)4+5 0.000e+00 0.000e+00 -52.381 -54.241 -1.860 (0) -H(0) 1.786e-11 - H2 8.931e-12 9.001e-12 -11.049 -11.046 0.003 28.55 +H(0) 1.787e-11 + H2 8.933e-12 9.003e-12 -11.049 -11.046 0.003 28.55 Na 2.624e-02 Na+ 2.559e-02 2.164e-02 -1.592 -1.665 -0.073 -0.71 NaSO4- 5.481e-04 4.658e-04 -3.261 -3.332 -0.071 -7.99 NaHCO3 1.058e-04 1.074e-04 -3.976 -3.969 0.007 31.71 - NaOH 3.682e-16 3.711e-16 -15.434 -15.430 0.003 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.795 -68.792 0.003 30.61 -S(-2) 3.950e-12 - HS- 3.935e-12 3.290e-12 -11.405 -11.483 -0.078 20.98 - S-2 1.285e-14 6.602e-15 -13.891 -14.180 -0.289 (0) - H2S 2.134e-15 2.150e-15 -14.671 -14.667 0.003 36.27 - Fe(HS)2 4.161e-25 4.193e-25 -24.381 -24.377 0.003 (0) - (H2S)2 3.176e-31 3.201e-31 -30.498 -30.495 0.003 34.33 - Fe(HS)3- 1.938e-34 1.633e-34 -33.713 -33.787 -0.074 (0) +S(-2) 3.954e-12 + HS- 3.939e-12 3.293e-12 -11.405 -11.482 -0.078 20.98 + S-2 1.286e-14 6.607e-15 -13.891 -14.180 -0.289 (0) + H2S 2.135e-15 2.152e-15 -14.671 -14.667 0.003 36.27 + Fe(HS)2 4.168e-25 4.200e-25 -24.380 -24.377 0.003 (0) + (H2S)2 3.182e-31 3.207e-31 -30.497 -30.494 0.003 34.33 + Fe(HS)3- 1.943e-34 1.637e-34 -33.711 -33.786 -0.074 (0) S(6) 2.754e-03 SO4-2 2.205e-03 1.129e-03 -2.657 -2.947 -0.291 22.78 NaSO4- 5.481e-04 4.658e-04 -3.261 -3.332 -0.071 -7.99 @@ -547,7 +545,7 @@ S(6) 2.754e-03 FeSO4 8.299e-12 8.364e-12 -11.081 -11.078 0.003 14.09 CaHSO4+ 1.924e-16 1.621e-16 -15.716 -15.790 -0.074 (0) FeHSO4+ 6.461e-21 5.444e-21 -20.190 -20.264 -0.074 (0) - FeSO4+ 6.152e-29 5.208e-29 -28.211 -28.283 -0.072 (0) + FeSO4+ 6.151e-29 5.208e-29 -28.211 -28.283 -0.072 (0) Fe(SO4)2- 1.704e-30 1.436e-30 -29.768 -29.843 -0.074 (0) FeHSO4+2 2.542e-38 1.281e-38 -37.595 -37.892 -0.298 (0) @@ -693,7 +691,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 30°C) = 3059 Density (g/cm³) = 1.00590 Volume (L) = 0.99586 - Viscosity (mPa s) = 0.80861 + Viscosity (mPa s) = 0.80862 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.512e-02 Mass of water (kg) = 1.000e+00 @@ -721,8 +719,8 @@ Ba 8.826e-07 BaSO4 1.209e-07 1.219e-07 -6.917 -6.914 0.004 (0) BaHCO3+ 1.478e-08 1.243e-08 -7.830 -7.905 -0.075 (0) BaOH+ 8.484e-11 7.172e-11 -10.071 -10.144 -0.073 (0) -C(-4) 2.535e-14 - CH4 2.535e-14 2.556e-14 -13.596 -13.592 0.004 36.09 +C(-4) 2.534e-14 + CH4 2.534e-14 2.554e-14 -13.596 -13.593 0.004 36.09 C(4) 1.264e-02 CO3-2 6.516e-03 3.369e-03 -2.186 -2.473 -0.286 -1.17 HCO3- 6.003e-03 5.090e-03 -2.222 -2.293 -0.072 25.74 @@ -748,7 +746,7 @@ Cl 2.000e-03 HCl 6.043e-14 6.255e-14 -13.219 -13.204 0.015 (0) FeCl+2 4.976e-31 2.541e-31 -30.303 -30.595 -0.292 (0) FeCl2+ 2.228e-33 1.883e-33 -32.652 -32.725 -0.073 (0) - FeCl3 3.623e-37 3.652e-37 -36.441 -36.437 0.004 (0) + FeCl3 3.623e-37 3.653e-37 -36.441 -36.437 0.004 (0) Fe(2) 3.593e-09 FeCO3 3.157e-09 3.182e-09 -8.501 -8.497 0.004 (0) FeOH+ 2.564e-10 2.168e-10 -9.591 -9.664 -0.073 (0) @@ -759,38 +757,37 @@ Fe(2) 3.593e-09 FeSO4 9.406e-12 9.482e-12 -11.027 -11.023 0.004 14.09 FeCl+ 1.265e-13 1.064e-13 -12.898 -12.973 -0.075 (0) FeHSO4+ 8.181e-21 6.883e-21 -20.087 -20.162 -0.075 (0) - Fe(HS)2 8.428e-25 8.497e-25 -24.074 -24.071 0.004 (0) - Fe(HS)3- 5.386e-34 4.531e-34 -33.269 -33.344 -0.075 (0) + Fe(HS)2 8.418e-25 8.486e-25 -24.075 -24.071 0.004 (0) + Fe(HS)3- 5.376e-34 4.523e-34 -33.270 -33.345 -0.075 (0) Fe(3) 5.782e-11 - Fe(OH)4- 5.437e-11 4.610e-11 -10.265 -10.336 -0.072 (0) + Fe(OH)4- 5.437e-11 4.611e-11 -10.265 -10.336 -0.072 (0) Fe(OH)3 3.446e-12 3.474e-12 -11.463 -11.459 0.004 (0) Fe(OH)2+ 2.149e-15 1.822e-15 -14.668 -14.739 -0.072 (0) - FeOH+2 7.488e-22 3.823e-22 -21.126 -21.418 -0.292 (0) - FeSO4+ 7.368e-29 6.229e-29 -28.133 -28.206 -0.073 (0) + FeOH+2 7.488e-22 3.824e-22 -21.126 -21.418 -0.292 (0) + FeSO4+ 7.369e-29 6.229e-29 -28.133 -28.206 -0.073 (0) Fe+3 1.325e-29 3.712e-30 -28.878 -29.430 -0.553 (0) Fe(SO4)2- 2.266e-30 1.907e-30 -29.645 -29.720 -0.075 (0) FeCl+2 4.976e-31 2.541e-31 -30.303 -30.595 -0.292 (0) FeCl2+ 2.228e-33 1.883e-33 -32.652 -32.725 -0.073 (0) - FeCl3 3.623e-37 3.652e-37 -36.441 -36.437 0.004 (0) + FeCl3 3.623e-37 3.653e-37 -36.441 -36.437 0.004 (0) FeHSO4+2 3.223e-38 1.615e-38 -37.492 -37.792 -0.300 (0) Fe2(OH)2+4 0.000e+00 0.000e+00 -40.293 -41.493 -1.201 (0) Fe3(OH)4+5 0.000e+00 0.000e+00 -52.234 -54.110 -1.876 (0) -H(0) 1.780e-11 - H2 8.899e-12 8.971e-12 -11.051 -11.047 0.004 28.51 +H(0) 1.779e-11 + H2 8.897e-12 8.970e-12 -11.051 -11.047 0.004 28.51 Na 2.719e-02 Na+ 2.644e-02 2.233e-02 -1.578 -1.651 -0.073 -0.42 NaSO4- 6.397e-04 5.428e-04 -3.194 -3.265 -0.071 -6.19 NaHCO3 1.064e-04 1.081e-04 -3.973 -3.966 0.007 31.75 - NaOH 3.871e-16 3.902e-16 -15.412 -15.409 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.882 -68.879 0.004 30.45 -S(-2) 4.980e-12 - HS- 4.961e-12 4.140e-12 -11.304 -11.383 -0.079 21.01 - S-2 1.680e-14 8.578e-15 -13.775 -14.067 -0.292 (0) - H2S 2.683e-15 2.705e-15 -14.571 -14.568 0.004 35.19 - Fe(HS)2 8.428e-25 8.497e-25 -24.074 -24.071 0.004 (0) - (H2S)2 5.569e-31 5.615e-31 -30.254 -30.251 0.004 38.52 - Fe(HS)3- 5.386e-34 4.531e-34 -33.269 -33.344 -0.075 (0) + O2 0.000e+00 0.000e+00 -68.882 -68.878 0.004 30.45 +S(-2) 4.977e-12 + HS- 4.958e-12 4.138e-12 -11.305 -11.383 -0.079 21.01 + S-2 1.679e-14 8.573e-15 -13.775 -14.067 -0.292 (0) + H2S 2.682e-15 2.704e-15 -14.572 -14.568 0.004 35.19 + Fe(HS)2 8.418e-25 8.486e-25 -24.075 -24.071 0.004 (0) + (H2S)2 5.563e-31 5.608e-31 -30.255 -30.251 0.004 38.52 + Fe(HS)3- 5.376e-34 4.523e-34 -33.270 -33.345 -0.075 (0) S(6) 2.856e-03 SO4-2 2.216e-03 1.128e-03 -2.654 -2.948 -0.293 24.52 NaSO4- 6.397e-04 5.428e-04 -3.194 -3.265 -0.071 -6.19 @@ -800,7 +797,7 @@ S(6) 2.856e-03 FeSO4 9.406e-12 9.482e-12 -11.027 -11.023 0.004 14.09 CaHSO4+ 2.485e-16 2.090e-16 -15.605 -15.680 -0.075 (0) FeHSO4+ 8.181e-21 6.883e-21 -20.087 -20.162 -0.075 (0) - FeSO4+ 7.368e-29 6.229e-29 -28.133 -28.206 -0.073 (0) + FeSO4+ 7.369e-29 6.229e-29 -28.133 -28.206 -0.073 (0) Fe(SO4)2- 2.266e-30 1.907e-30 -29.645 -29.720 -0.075 (0) FeHSO4+2 3.223e-38 1.615e-38 -37.492 -37.792 -0.300 (0) @@ -946,7 +943,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 30°C) = 3169 Density (g/cm³) = 1.01024 Volume (L) = 0.99163 - Viscosity (mPa s) = 0.80953 + Viscosity (mPa s) = 0.80954 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.628e-02 Mass of water (kg) = 1.000e+00 @@ -974,8 +971,8 @@ Ba 1.048e-06 BaSO4 1.495e-07 1.508e-07 -6.825 -6.822 0.004 (0) BaHCO3+ 1.823e-08 1.532e-08 -7.739 -7.815 -0.076 (0) BaOH+ 9.595e-11 8.101e-11 -10.018 -10.091 -0.074 (0) -C(-4) 3.151e-14 - CH4 3.151e-14 3.178e-14 -13.502 -13.498 0.004 36.19 +C(-4) 3.150e-14 + CH4 3.150e-14 3.176e-14 -13.502 -13.498 0.004 36.19 C(4) 1.300e-02 CO3-2 6.875e-03 3.537e-03 -2.163 -2.451 -0.289 -0.36 HCO3- 6.002e-03 5.083e-03 -2.222 -2.294 -0.072 26.04 @@ -999,7 +996,7 @@ Cl 2.000e-03 Cl- 2.000e-03 1.671e-03 -2.699 -2.777 -0.078 18.48 FeCl+ 1.468e-13 1.234e-13 -12.833 -12.909 -0.076 (0) HCl 6.842e-14 7.090e-14 -13.165 -13.149 0.015 (0) - FeCl+2 5.797e-31 2.945e-31 -30.237 -30.531 -0.294 (0) + FeCl+2 5.798e-31 2.945e-31 -30.237 -30.531 -0.294 (0) FeCl2+ 2.782e-33 2.349e-33 -32.556 -32.629 -0.074 (0) FeCl3 4.860e-37 4.901e-37 -36.313 -36.310 0.004 (0) Fe(2) 4.078e-09 @@ -1012,38 +1009,37 @@ Fe(2) 4.078e-09 FeSO4 1.069e-11 1.078e-11 -10.971 -10.967 0.004 14.09 FeCl+ 1.468e-13 1.234e-13 -12.833 -12.909 -0.076 (0) FeHSO4+ 1.038e-20 8.722e-21 -19.984 -20.059 -0.076 (0) - Fe(HS)2 1.645e-24 1.659e-24 -23.784 -23.780 0.004 (0) - Fe(HS)3- 1.417e-33 1.191e-33 -32.849 -32.924 -0.076 (0) + Fe(HS)2 1.643e-24 1.657e-24 -23.784 -23.781 0.004 (0) + Fe(HS)3- 1.415e-33 1.189e-33 -32.849 -32.925 -0.076 (0) Fe(3) 6.723e-11 - Fe(OH)4- 6.329e-11 5.360e-11 -10.199 -10.271 -0.072 (0) - Fe(OH)3 3.929e-12 3.962e-12 -11.406 -11.402 0.004 (0) + Fe(OH)4- 6.330e-11 5.361e-11 -10.199 -10.271 -0.072 (0) + Fe(OH)3 3.930e-12 3.963e-12 -11.406 -11.402 0.004 (0) Fe(OH)2+ 2.408e-15 2.039e-15 -14.618 -14.691 -0.072 (0) - FeOH+2 8.264e-22 4.198e-22 -21.083 -21.377 -0.294 (0) - FeSO4+ 8.871e-29 7.490e-29 -28.052 -28.126 -0.074 (0) + FeOH+2 8.265e-22 4.198e-22 -21.083 -21.377 -0.294 (0) + FeSO4+ 8.872e-29 7.490e-29 -28.052 -28.126 -0.074 (0) Fe+3 1.438e-29 3.999e-30 -28.842 -29.398 -0.556 (0) Fe(SO4)2- 3.046e-30 2.559e-30 -29.516 -29.592 -0.076 (0) - FeCl+2 5.797e-31 2.945e-31 -30.237 -30.531 -0.294 (0) + FeCl+2 5.798e-31 2.945e-31 -30.237 -30.531 -0.294 (0) FeCl2+ 2.782e-33 2.349e-33 -32.556 -32.629 -0.074 (0) FeCl3 4.860e-37 4.901e-37 -36.313 -36.310 0.004 (0) - FeHSO4+2 4.104e-38 2.045e-38 -37.387 -37.689 -0.302 (0) + FeHSO4+2 4.105e-38 2.046e-38 -37.387 -37.689 -0.302 (0) Fe2(OH)2+4 0.000e+00 0.000e+00 -40.202 -41.412 -1.210 (0) Fe3(OH)4+5 0.000e+00 0.000e+00 -52.089 -53.980 -1.890 (0) H(0) 1.763e-11 - H2 8.815e-12 8.889e-12 -11.055 -11.051 0.004 28.47 + H2 8.814e-12 8.888e-12 -11.055 -11.051 0.004 28.47 Na 2.810e-02 Na+ 2.725e-02 2.298e-02 -1.565 -1.639 -0.074 -0.14 NaSO4- 7.405e-04 6.276e-04 -3.130 -3.202 -0.072 -4.52 NaHCO3 1.072e-04 1.090e-04 -3.970 -3.962 0.007 31.79 - NaOH 4.066e-16 4.100e-16 -15.391 -15.387 0.004 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.964 -68.960 0.004 30.31 -S(-2) 6.168e-12 - HS- 6.143e-12 5.119e-12 -11.212 -11.291 -0.079 21.04 - S-2 2.157e-14 1.096e-14 -13.666 -13.960 -0.294 (0) - H2S 3.342e-15 3.370e-15 -14.476 -14.472 0.004 34.18 - Fe(HS)2 1.645e-24 1.659e-24 -23.784 -23.780 0.004 (0) - (H2S)2 9.149e-31 9.226e-31 -30.039 -30.035 0.004 42.42 - Fe(HS)3- 1.417e-33 1.191e-33 -32.849 -32.924 -0.076 (0) +S(-2) 6.165e-12 + HS- 6.140e-12 5.117e-12 -11.212 -11.291 -0.079 21.04 + S-2 2.156e-14 1.095e-14 -13.666 -13.960 -0.294 (0) + H2S 3.341e-15 3.369e-15 -14.476 -14.473 0.004 34.18 + Fe(HS)2 1.643e-24 1.657e-24 -23.784 -23.781 0.004 (0) + (H2S)2 9.140e-31 9.217e-31 -30.039 -30.035 0.004 42.42 + Fe(HS)3- 1.415e-33 1.189e-33 -32.849 -32.925 -0.076 (0) S(6) 2.951e-03 SO4-2 2.210e-03 1.119e-03 -2.656 -2.951 -0.296 26.14 NaSO4- 7.405e-04 6.276e-04 -3.130 -3.202 -0.072 -4.52 @@ -1053,9 +1049,9 @@ S(6) 2.951e-03 FeSO4 1.069e-11 1.078e-11 -10.971 -10.967 0.004 14.09 CaHSO4+ 3.216e-16 2.702e-16 -15.493 -15.568 -0.076 (0) FeHSO4+ 1.038e-20 8.722e-21 -19.984 -20.059 -0.076 (0) - FeSO4+ 8.871e-29 7.490e-29 -28.052 -28.126 -0.074 (0) + FeSO4+ 8.872e-29 7.490e-29 -28.052 -28.126 -0.074 (0) Fe(SO4)2- 3.046e-30 2.559e-30 -29.516 -29.592 -0.076 (0) - FeHSO4+2 4.104e-38 2.045e-38 -37.387 -37.689 -0.302 (0) + FeHSO4+2 4.105e-38 2.046e-38 -37.387 -37.689 -0.302 (0) ------------------------------Saturation indices------------------------------- @@ -1140,7 +1136,7 @@ Kinetics 3. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Barite -0.00 -9.73 -9.73 1.000e+01 9.998e+00 -1.956e-03 +Barite 0.00 -9.73 -9.73 1.000e+01 9.998e+00 -1.956e-03 --------------------------------Solid solutions-------------------------------- @@ -1204,11 +1200,11 @@ X 1.000e+00 mol ----------------------------Description of solution---------------------------- pH = 9.909 Charge balance - pe = -5.923 Adjusted to redox equilibrium + pe = -5.919 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 3503 Density (g/cm³) = 1.00182 Volume (L) = 1.00027 - Viscosity (mPa s) = 0.81059 + Viscosity (mPa s) = 0.81060 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.035e-02 Mass of water (kg) = 1.000e+00 @@ -1218,7 +1214,7 @@ X 1.000e+00 mol Pressure (atm) = 100.00 Electrical balance (eq) = 1.887e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.31 - Iterations = 15 + Iterations = 19 Total H = 1.110210e+02 Total O = 5.556647e+01 @@ -1236,8 +1232,8 @@ Ba 6.823e-07 BaSO4 9.764e-08 9.855e-08 -7.010 -7.006 0.004 (0) BaHCO3+ 1.477e-08 1.230e-08 -7.831 -7.910 -0.079 (0) BaOH+ 4.850e-11 4.060e-11 -10.314 -10.392 -0.077 (0) -C(-4) 9.741e-15 - CH4 9.741e-15 9.832e-15 -14.011 -14.007 0.004 35.98 +C(-4) 9.054e-15 + CH4 9.054e-15 9.138e-15 -14.043 -14.039 0.004 35.98 C(4) 1.552e-02 HCO3- 8.577e-03 7.203e-03 -2.067 -2.142 -0.076 25.44 CO3-2 6.753e-03 3.360e-03 -2.171 -2.474 -0.303 -1.95 @@ -1261,9 +1257,9 @@ Cl 2.500e-03 Cl- 2.500e-03 2.069e-03 -2.602 -2.684 -0.082 18.40 FeCl+ 1.316e-13 1.096e-13 -12.881 -12.960 -0.079 (0) HCl 8.804e-14 9.159e-14 -13.055 -13.038 0.017 (0) - FeCl+2 8.525e-31 4.183e-31 -30.069 -30.378 -0.309 (0) - FeCl2+ 4.252e-33 3.559e-33 -32.371 -32.449 -0.077 (0) - FeCl3 7.848e-37 7.922e-37 -36.105 -36.101 0.004 (0) + FeCl+2 8.603e-31 4.222e-31 -30.065 -30.375 -0.309 (0) + FeCl2+ 4.291e-33 3.592e-33 -32.367 -32.445 -0.077 (0) + FeCl3 7.920e-37 7.994e-37 -36.101 -36.097 0.004 (0) Fe(2) 3.139e-09 FeCO3 2.827e-09 2.853e-09 -8.549 -8.545 0.004 (0) FeOH+ 1.696e-10 1.419e-10 -9.771 -9.848 -0.077 (0) @@ -1274,38 +1270,37 @@ Fe(2) 3.139e-09 Fe(OH)3- 6.551e-12 5.483e-12 -11.184 -11.261 -0.077 (0) FeCl+ 1.316e-13 1.096e-13 -12.881 -12.960 -0.079 (0) FeHSO4+ 9.859e-21 8.211e-21 -20.006 -20.086 -0.079 (0) - Fe(HS)2 6.450e-26 6.510e-26 -25.190 -25.186 0.004 (0) - Fe(HS)3- 1.218e-35 1.014e-35 -34.914 -34.994 -0.079 (0) -Fe(3) 2.421e-11 - Fe(OH)4- 2.229e-11 1.872e-11 -10.652 -10.728 -0.076 (0) - Fe(OH)3 1.916e-12 1.934e-12 -11.718 -11.714 0.004 (0) - Fe(OH)2+ 1.656e-15 1.391e-15 -14.781 -14.857 -0.076 (0) - FeOH+2 8.153e-22 4.001e-22 -21.089 -21.398 -0.309 (0) - FeSO4+ 1.112e-28 9.309e-29 -27.954 -28.031 -0.077 (0) - Fe+3 2.026e-29 5.325e-30 -28.693 -29.274 -0.580 (0) - Fe(SO4)2- 3.564e-30 2.968e-30 -29.448 -29.527 -0.079 (0) - FeCl+2 8.525e-31 4.183e-31 -30.069 -30.378 -0.309 (0) - FeCl2+ 4.252e-33 3.559e-33 -32.371 -32.449 -0.077 (0) - FeCl3 7.848e-37 7.922e-37 -36.105 -36.101 0.004 (0) - FeHSO4+2 6.399e-38 3.079e-38 -37.194 -37.512 -0.318 (0) - Fe2(OH)2+4 0.000e+00 0.000e+00 -40.183 -41.454 -1.271 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -52.202 -54.188 -1.986 (0) -H(0) 1.270e-11 - H2 6.350e-12 6.409e-12 -11.197 -11.193 0.004 28.55 + Fe(HS)2 5.572e-26 5.624e-26 -25.254 -25.250 0.004 (0) + Fe(HS)3- 9.780e-36 8.145e-36 -35.010 -35.089 -0.079 (0) +Fe(3) 2.443e-11 + Fe(OH)4- 2.250e-11 1.890e-11 -10.648 -10.724 -0.076 (0) + Fe(OH)3 1.934e-12 1.952e-12 -11.714 -11.710 0.004 (0) + Fe(OH)2+ 1.671e-15 1.404e-15 -14.777 -14.853 -0.076 (0) + FeOH+2 8.228e-22 4.038e-22 -21.085 -21.394 -0.309 (0) + FeSO4+ 1.122e-28 9.394e-29 -27.950 -28.027 -0.077 (0) + Fe+3 2.044e-29 5.374e-30 -28.689 -29.270 -0.580 (0) + Fe(SO4)2- 3.597e-30 2.996e-30 -29.444 -29.524 -0.079 (0) + FeCl+2 8.603e-31 4.222e-31 -30.065 -30.375 -0.309 (0) + FeCl2+ 4.291e-33 3.592e-33 -32.367 -32.445 -0.077 (0) + FeCl3 7.920e-37 7.994e-37 -36.101 -36.097 0.004 (0) + FeHSO4+2 6.458e-38 3.107e-38 -37.190 -37.508 -0.318 (0) + Fe2(OH)2+4 0.000e+00 0.000e+00 -40.175 -41.446 -1.271 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -52.190 -54.176 -1.986 (0) +H(0) 1.247e-11 + H2 6.235e-12 6.293e-12 -11.205 -11.201 0.004 28.55 Na 3.196e-02 Na+ 3.102e-02 2.594e-02 -1.508 -1.586 -0.078 -0.69 NaSO4- 7.658e-04 6.437e-04 -3.116 -3.191 -0.075 -7.22 NaHCO3 1.787e-04 1.820e-04 -3.748 -3.740 0.008 31.71 - NaOH 3.278e-16 3.308e-16 -15.484 -15.480 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.501 -68.497 0.004 30.61 -S(-2) 1.600e-12 - HS- 1.595e-12 1.316e-12 -11.797 -11.881 -0.084 20.99 - S-2 4.003e-15 1.964e-15 -14.398 -14.707 -0.309 (0) - H2S 1.146e-15 1.156e-15 -14.941 -14.937 0.004 36.27 - Fe(HS)2 6.450e-26 6.510e-26 -25.190 -25.186 0.004 (0) - (H2S)2 9.174e-32 9.259e-32 -31.037 -31.033 0.004 34.33 - Fe(HS)3- 1.218e-35 1.014e-35 -34.914 -34.994 -0.079 (0) + O2 0.000e+00 0.000e+00 -68.485 -68.481 0.004 30.61 +S(-2) 1.488e-12 + HS- 1.483e-12 1.223e-12 -11.829 -11.912 -0.084 20.99 + S-2 3.721e-15 1.826e-15 -14.429 -14.739 -0.309 (0) + H2S 1.065e-15 1.075e-15 -14.973 -14.969 0.004 36.27 + Fe(HS)2 5.572e-26 5.624e-26 -25.254 -25.250 0.004 (0) + (H2S)2 7.925e-32 7.999e-32 -31.101 -31.097 0.004 34.33 + Fe(HS)3- 9.780e-36 8.145e-36 -35.010 -35.089 -0.079 (0) S(6) 3.432e-03 SO4-2 2.666e-03 1.303e-03 -2.574 -2.885 -0.311 23.29 NaSO4- 7.658e-04 6.437e-04 -3.116 -3.191 -0.075 -7.22 @@ -1315,9 +1310,9 @@ S(6) 3.432e-03 FeSO4 9.297e-12 9.383e-12 -11.032 -11.028 0.004 14.09 CaHSO4+ 2.879e-16 2.398e-16 -15.541 -15.620 -0.079 (0) FeHSO4+ 9.859e-21 8.211e-21 -20.006 -20.086 -0.079 (0) - FeSO4+ 1.112e-28 9.309e-29 -27.954 -28.031 -0.077 (0) - Fe(SO4)2- 3.564e-30 2.968e-30 -29.448 -29.527 -0.079 (0) - FeHSO4+2 6.399e-38 3.079e-38 -37.194 -37.512 -0.318 (0) + FeSO4+ 1.122e-28 9.394e-29 -27.950 -28.027 -0.077 (0) + Fe(SO4)2- 3.597e-30 2.996e-30 -29.444 -29.524 -0.079 (0) + FeHSO4+2 6.458e-38 3.107e-38 -37.190 -37.508 -0.318 (0) ------------------------------Saturation indices------------------------------- @@ -1325,26 +1320,26 @@ S(6) 3.432e-03 Anhydrite -4.57 -8.84 -4.27 CaSO4 Aragonite -0.15 -8.43 -8.28 CaCO3 - Barite -0.00 -9.73 -9.73 BaSO4 + Barite 0.00 -9.73 -9.73 BaSO4 Calcite -0.00 -8.43 -8.42 CaCO3 - CH4(g) -11.10 -14.01 -2.91 CH4 + CH4(g) -11.13 -14.04 -2.91 CH4 CO2(g) -4.19 -5.77 -1.58 CO2 - Fe(OH)3(a) -4.34 0.45 4.80 Fe(OH)3 - FeS(ppt) -8.47 -12.38 -3.92 FeS - Goethite 1.65 0.45 -1.20 FeOOH + Fe(OH)3(a) -4.34 0.46 4.80 Fe(OH)3 + FeS(ppt) -8.50 -12.42 -3.92 FeS + Goethite 1.66 0.46 -1.20 FeOOH Gypsum -4.31 -8.84 -4.53 CaSO4:2H2O - H2(g) -8.03 -11.19 -3.16 H2 + H2(g) -8.04 -11.20 -3.16 H2 H2O(g) -1.35 -0.00 1.35 H2O - H2S(g) -13.83 -21.79 -7.96 H2S + H2S(g) -13.86 -21.82 -7.96 H2S Halite -5.86 -4.27 1.59 NaCl - Hematite 5.33 0.91 -4.42 Fe2O3 - Mackinawite -7.77 -12.38 -4.61 FeS + Hematite 5.34 0.92 -4.42 Fe2O3 + Mackinawite -7.80 -12.42 -4.61 FeS Melanterite -10.93 -13.30 -2.37 FeSO4:7H2O Mirabilite -5.05 -6.06 -1.01 Na2SO4:10H2O - O2(g) -65.52 -68.50 -2.98 O2 - Pyrite -7.86 -26.20 -18.34 FeS2 + O2(g) -65.50 -68.48 -2.98 O2 + Pyrite -7.92 -26.26 -18.34 FeS2 Siderite -2.06 -12.89 -10.83 FeCO3 - Sulfur -11.67 -6.96 4.70 S + Sulfur -11.69 -6.99 4.70 S Thenardite -5.79 -6.06 -0.27 Na2SO4 Witherite -0.86 -9.32 -8.46 BaCO3 @@ -1398,7 +1393,7 @@ Kinetics 3. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Barite -0.00 -9.66 -9.66 1.000e+01 9.998e+00 -2.051e-03 +Barite 0.00 -9.66 -9.66 1.000e+01 9.998e+00 -2.051e-03 --------------------------------Solid solutions-------------------------------- @@ -1455,18 +1450,18 @@ X 1.000e+00 mol C 1.588e-02 1.588e-02 Ca 1.128e-05 1.128e-05 Cl 2.500e-03 2.500e-03 - Fe 3.592e-09 3.592e-09 + Fe 3.590e-09 3.590e-09 Na 3.288e-02 3.288e-02 S 3.527e-03 3.527e-03 ----------------------------Description of solution---------------------------- pH = 9.885 Charge balance - pe = -5.921 Adjusted to redox equilibrium + pe = -5.962 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 3617 Density (g/cm³) = 1.00623 Volume (L) = 0.99594 - Viscosity (mPa s) = 0.81130 + Viscosity (mPa s) = 0.81131 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.151e-02 Mass of water (kg) = 1.000e+00 @@ -1476,7 +1471,7 @@ X 1.000e+00 mol Pressure (atm) = 200.00 Electrical balance (eq) = 1.856e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29 - Iterations = 15 + Iterations = 16 Total H = 1.110210e+02 Total O = 5.556794e+01 @@ -1494,8 +1489,8 @@ Ba 8.204e-07 BaSO4 1.207e-07 1.219e-07 -6.918 -6.914 0.004 (0) BaHCO3+ 1.841e-08 1.532e-08 -7.735 -7.815 -0.080 (0) BaOH+ 5.540e-11 4.632e-11 -10.256 -10.334 -0.078 (0) -C(-4) 1.205e-14 - CH4 1.205e-14 1.217e-14 -13.919 -13.915 0.004 36.09 +C(-4) 2.557e-14 + CH4 2.557e-14 2.582e-14 -13.592 -13.588 0.004 36.09 C(4) 1.588e-02 HCO3- 8.574e-03 7.194e-03 -2.067 -2.143 -0.076 25.76 CO3-2 7.118e-03 3.528e-03 -2.148 -2.452 -0.305 -1.10 @@ -1519,9 +1514,9 @@ Cl 2.500e-03 Cl- 2.500e-03 2.066e-03 -2.602 -2.685 -0.083 18.45 FeCl+ 1.535e-13 1.277e-13 -12.814 -12.894 -0.080 (0) HCl 1.000e-13 1.042e-13 -13.000 -12.982 0.018 (0) - FeCl+2 1.002e-30 4.895e-31 -29.999 -30.310 -0.311 (0) - FeCl2+ 5.358e-33 4.480e-33 -32.271 -32.349 -0.078 (0) - FeCl3 1.063e-36 1.073e-36 -35.974 -35.969 0.004 (0) + FeCl+2 9.117e-31 4.456e-31 -30.040 -30.351 -0.311 (0) + FeCl2+ 4.877e-33 4.078e-33 -32.312 -32.390 -0.078 (0) + FeCl3 9.673e-37 9.766e-37 -36.014 -36.010 0.004 (0) Fe(2) 3.564e-09 FeCO3 3.211e-09 3.242e-09 -8.493 -8.489 0.004 (0) FeOH+ 1.868e-10 1.562e-10 -9.729 -9.806 -0.078 (0) @@ -1532,38 +1527,37 @@ Fe(2) 3.564e-09 Fe(OH)3- 7.449e-12 6.228e-12 -11.128 -11.206 -0.078 (0) FeCl+ 1.535e-13 1.277e-13 -12.814 -12.894 -0.080 (0) FeHSO4+ 1.245e-20 1.036e-20 -19.905 -19.985 -0.080 (0) - Fe(HS)2 1.223e-25 1.234e-25 -24.913 -24.909 0.004 (0) - Fe(HS)3- 3.059e-35 2.545e-35 -34.514 -34.594 -0.080 (0) -Fe(3) 2.805e-11 - Fe(OH)4- 2.586e-11 2.170e-11 -10.587 -10.664 -0.076 (0) - Fe(OH)3 2.185e-12 2.206e-12 -11.661 -11.656 0.004 (0) - Fe(OH)2+ 1.861e-15 1.561e-15 -14.730 -14.806 -0.076 (0) - FeOH+2 9.046e-22 4.421e-22 -21.044 -21.354 -0.311 (0) - FeSO4+ 1.334e-28 1.115e-28 -27.875 -27.953 -0.078 (0) - Fe+3 2.215e-29 5.791e-30 -28.655 -29.237 -0.583 (0) - Fe(SO4)2- 4.707e-30 3.916e-30 -29.327 -29.407 -0.080 (0) - FeCl+2 1.002e-30 4.895e-31 -29.999 -30.310 -0.311 (0) - FeCl2+ 5.358e-33 4.480e-33 -32.271 -32.349 -0.078 (0) - FeCl3 1.063e-36 1.073e-36 -35.974 -35.969 0.004 (0) - FeHSO4+2 8.139e-38 3.900e-38 -37.089 -37.409 -0.320 (0) - Fe2(OH)2+4 0.000e+00 0.000e+00 -40.089 -41.367 -1.278 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -52.054 -54.051 -1.997 (0) -H(0) 1.256e-11 - H2 6.280e-12 6.341e-12 -11.202 -11.198 0.004 28.51 + Fe(HS)2 5.504e-25 5.556e-25 -24.259 -24.255 0.004 (0) + Fe(HS)3- 2.921e-34 2.430e-34 -33.534 -33.614 -0.080 (0) +Fe(3) 2.553e-11 + Fe(OH)4- 2.354e-11 1.975e-11 -10.628 -10.704 -0.076 (0) + Fe(OH)3 1.989e-12 2.008e-12 -11.701 -11.697 0.004 (0) + Fe(OH)2+ 1.694e-15 1.421e-15 -14.771 -14.847 -0.076 (0) + FeOH+2 8.234e-22 4.024e-22 -21.084 -21.395 -0.311 (0) + FeSO4+ 1.214e-28 1.015e-28 -27.916 -27.994 -0.078 (0) + Fe+3 2.016e-29 5.272e-30 -28.695 -29.278 -0.583 (0) + Fe(SO4)2- 4.284e-30 3.565e-30 -29.368 -29.448 -0.080 (0) + FeCl+2 9.117e-31 4.456e-31 -30.040 -30.351 -0.311 (0) + FeCl2+ 4.877e-33 4.078e-33 -32.312 -32.390 -0.078 (0) + FeCl3 9.673e-37 9.766e-37 -36.014 -36.010 0.004 (0) + FeHSO4+2 7.409e-38 3.550e-38 -37.130 -37.450 -0.320 (0) + Fe2(OH)2+4 0.000e+00 0.000e+00 -40.171 -41.449 -1.278 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -52.176 -54.173 -1.997 (0) +H(0) 1.516e-11 + H2 7.580e-12 7.652e-12 -11.120 -11.116 0.004 28.51 Na 3.288e-02 Na+ 3.183e-02 2.659e-02 -1.497 -1.575 -0.078 -0.40 NaSO4- 8.780e-04 7.373e-04 -3.057 -3.132 -0.076 -5.45 NaHCO3 1.786e-04 1.820e-04 -3.748 -3.740 0.008 31.75 - NaOH 3.411e-16 3.444e-16 -15.467 -15.463 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.581 -68.577 0.004 30.45 -S(-2) 1.948e-12 - HS- 1.942e-12 1.600e-12 -11.712 -11.796 -0.084 21.02 - S-2 5.029e-15 2.458e-15 -14.299 -14.609 -0.311 (0) - H2S 1.397e-15 1.411e-15 -14.855 -14.851 0.004 35.19 - Fe(HS)2 1.223e-25 1.234e-25 -24.913 -24.909 0.004 (0) - (H2S)2 1.512e-31 1.527e-31 -30.820 -30.816 0.004 38.52 - Fe(HS)3- 3.059e-35 2.545e-35 -34.514 -34.594 -0.080 (0) + O2 0.000e+00 0.000e+00 -68.745 -68.741 0.004 30.45 +S(-2) 4.134e-12 + HS- 4.120e-12 3.395e-12 -11.385 -11.469 -0.084 21.02 + S-2 1.067e-14 5.215e-15 -13.972 -14.283 -0.311 (0) + H2S 2.965e-15 2.993e-15 -14.528 -14.524 0.004 35.19 + Fe(HS)2 5.504e-25 5.556e-25 -24.259 -24.255 0.004 (0) + (H2S)2 6.808e-31 6.874e-31 -30.167 -30.163 0.004 38.52 + Fe(HS)3- 2.921e-34 2.430e-34 -33.534 -33.614 -0.080 (0) S(6) 3.527e-03 SO4-2 2.648e-03 1.289e-03 -2.577 -2.890 -0.313 25.01 NaSO4- 8.780e-04 7.373e-04 -3.057 -3.132 -0.076 -5.45 @@ -1573,9 +1567,9 @@ S(6) 3.527e-03 FeSO4 1.048e-11 1.058e-11 -10.980 -10.976 0.004 14.09 CaHSO4+ 3.711e-16 3.088e-16 -15.430 -15.510 -0.080 (0) FeHSO4+ 1.245e-20 1.036e-20 -19.905 -19.985 -0.080 (0) - FeSO4+ 1.334e-28 1.115e-28 -27.875 -27.953 -0.078 (0) - Fe(SO4)2- 4.707e-30 3.916e-30 -29.327 -29.407 -0.080 (0) - FeHSO4+2 8.139e-38 3.900e-38 -37.089 -37.409 -0.320 (0) + FeSO4+ 1.214e-28 1.015e-28 -27.916 -27.994 -0.078 (0) + Fe(SO4)2- 4.284e-30 3.565e-30 -29.368 -29.448 -0.080 (0) + FeHSO4+2 7.409e-38 3.550e-38 -37.130 -37.450 -0.320 (0) ------------------------------Saturation indices------------------------------- @@ -1583,26 +1577,26 @@ S(6) 3.527e-03 Anhydrite -4.57 -8.77 -4.20 CaSO4 Aragonite -0.14 -8.33 -8.19 CaCO3 - Barite -0.00 -9.66 -9.66 BaSO4 + Barite 0.00 -9.66 -9.66 BaSO4 Calcite -0.00 -8.33 -8.33 CaCO3 - CH4(g) -10.95 -13.91 -2.97 CH4 + CH4(g) -10.62 -13.59 -2.97 CH4 CO2(g) -4.15 -5.79 -1.64 CO2 - Fe(OH)3(a) -4.29 0.42 4.70 Fe(OH)3 - FeS(ppt) -8.34 -12.25 -3.92 FeS - Goethite 1.64 0.42 -1.23 FeOOH + Fe(OH)3(a) -4.33 0.38 4.70 Fe(OH)3 + FeS(ppt) -8.01 -11.93 -3.92 FeS + Goethite 1.60 0.38 -1.23 FeOOH Gypsum -4.29 -8.77 -4.48 CaSO4:2H2O - H2(g) -7.99 -11.20 -3.21 H2 + H2(g) -7.91 -11.12 -3.21 H2 H2O(g) -1.31 -0.00 1.31 H2O - H2S(g) -13.68 -21.68 -8.00 H2S + H2S(g) -13.35 -21.35 -8.00 H2S Halite -5.87 -4.26 1.61 NaCl - Hematite 5.30 0.83 -4.46 Fe2O3 - Mackinawite -7.67 -12.25 -4.58 FeS + Hematite 5.22 0.75 -4.46 Fe2O3 + Mackinawite -7.35 -11.93 -4.58 FeS Melanterite -10.63 -13.24 -2.60 FeSO4:7H2O Mirabilite -5.05 -6.04 -0.99 Na2SO4:10H2O - O2(g) -65.54 -68.58 -3.03 O2 - Pyrite -7.67 -26.01 -18.34 FeS2 + O2(g) -65.71 -68.74 -3.03 O2 + Pyrite -7.10 -25.44 -18.34 FeS2 Siderite -2.05 -12.80 -10.75 FeCO3 - Sulfur -11.57 -6.92 4.64 S + Sulfur -11.32 -6.68 4.64 S Thenardite -5.82 -6.04 -0.22 Na2SO4 Witherite -0.87 -9.23 -8.36 BaCO3 @@ -1720,11 +1714,11 @@ X 1.000e+00 mol ----------------------------Description of solution---------------------------- pH = 9.861 Charge balance - pe = -5.924 Adjusted to redox equilibrium + pe = -5.921 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 3724 Density (g/cm³) = 1.01056 Volume (L) = 0.99172 - Viscosity (mPa s) = 0.81227 + Viscosity (mPa s) = 0.81228 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.260e-02 Mass of water (kg) = 1.000e+00 @@ -1734,7 +1728,7 @@ X 1.000e+00 mol Pressure (atm) = 300.00 Electrical balance (eq) = 1.824e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.28 - Iterations = 15 + Iterations = 16 Total H = 1.110210e+02 Total O = 5.556936e+01 @@ -1752,8 +1746,8 @@ Ba 9.785e-07 BaSO4 1.493e-07 1.508e-07 -6.826 -6.822 0.004 (0) BaHCO3+ 2.286e-08 1.900e-08 -7.641 -7.721 -0.080 (0) BaOH+ 6.287e-11 5.252e-11 -10.202 -10.280 -0.078 (0) -C(-4) 1.625e-14 - CH4 1.625e-14 1.641e-14 -13.789 -13.785 0.004 36.19 +C(-4) 1.536e-14 + CH4 1.536e-14 1.551e-14 -13.814 -13.809 0.004 36.19 C(4) 1.624e-02 HCO3- 8.570e-03 7.185e-03 -2.067 -2.144 -0.077 26.06 CO3-2 7.474e-03 3.692e-03 -2.126 -2.433 -0.306 -0.30 @@ -1777,9 +1771,9 @@ Cl 2.500e-03 Cl- 2.500e-03 2.064e-03 -2.602 -2.685 -0.083 18.50 FeCl+ 1.786e-13 1.484e-13 -12.748 -12.828 -0.080 (0) HCl 1.137e-13 1.185e-13 -12.944 -12.926 0.018 (0) - FeCl+2 1.160e-30 5.648e-31 -29.936 -30.248 -0.312 (0) - FeCl2+ 6.662e-33 5.565e-33 -32.176 -32.255 -0.078 (0) - FeCl3 1.421e-36 1.435e-36 -35.848 -35.843 0.004 (0) + FeCl+2 1.168e-30 5.688e-31 -29.933 -30.245 -0.312 (0) + FeCl2+ 6.709e-33 5.605e-33 -32.173 -32.251 -0.078 (0) + FeCl3 1.431e-36 1.445e-36 -35.844 -35.840 0.004 (0) Fe(2) 4.045e-09 FeCO3 3.646e-09 3.682e-09 -8.438 -8.434 0.004 (0) FeOH+ 2.051e-10 1.713e-10 -9.688 -9.766 -0.078 (0) @@ -1790,38 +1784,37 @@ Fe(2) 4.045e-09 Fe(OH)3- 8.445e-12 7.055e-12 -11.073 -11.152 -0.078 (0) FeCl+ 1.786e-13 1.484e-13 -12.748 -12.828 -0.080 (0) FeHSO4+ 1.576e-20 1.310e-20 -19.802 -19.883 -0.080 (0) - Fe(HS)2 2.773e-25 2.800e-25 -24.557 -24.553 0.004 (0) - Fe(HS)3- 1.007e-34 8.368e-35 -33.997 -34.077 -0.080 (0) -Fe(3) 3.204e-11 - Fe(OH)4- 2.958e-11 2.480e-11 -10.529 -10.606 -0.077 (0) - Fe(OH)3 2.457e-12 2.481e-12 -11.610 -11.605 0.004 (0) - Fe(OH)2+ 2.061e-15 1.728e-15 -14.686 -14.762 -0.077 (0) - FeOH+2 9.888e-22 4.815e-22 -21.005 -21.317 -0.312 (0) - FeSO4+ 1.586e-28 1.325e-28 -27.800 -27.878 -0.078 (0) - Fe+3 2.385e-29 6.208e-30 -28.623 -29.207 -0.585 (0) - Fe(SO4)2- 6.207e-30 5.160e-30 -29.207 -29.287 -0.080 (0) - FeCl+2 1.160e-30 5.648e-31 -29.936 -30.248 -0.312 (0) - FeCl2+ 6.662e-33 5.565e-33 -32.176 -32.255 -0.078 (0) - FeCl3 1.421e-36 1.435e-36 -35.848 -35.843 0.004 (0) - FeHSO4+2 1.026e-37 4.897e-38 -36.989 -37.310 -0.321 (0) - Fe2(OH)2+4 0.000e+00 0.000e+00 -40.009 -41.293 -1.284 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -51.926 -53.932 -2.007 (0) -H(0) 1.269e-11 - H2 6.344e-12 6.406e-12 -11.198 -11.193 0.004 28.47 + Fe(HS)2 2.476e-25 2.501e-25 -24.606 -24.602 0.004 (0) + Fe(HS)3- 8.496e-35 7.062e-35 -34.071 -34.151 -0.080 (0) +Fe(3) 3.227e-11 + Fe(OH)4- 2.979e-11 2.498e-11 -10.526 -10.602 -0.077 (0) + Fe(OH)3 2.474e-12 2.499e-12 -11.607 -11.602 0.004 (0) + Fe(OH)2+ 2.076e-15 1.740e-15 -14.683 -14.759 -0.077 (0) + FeOH+2 9.958e-22 4.850e-22 -21.002 -21.314 -0.312 (0) + FeSO4+ 1.597e-28 1.334e-28 -27.797 -27.875 -0.078 (0) + Fe+3 2.402e-29 6.252e-30 -28.619 -29.204 -0.585 (0) + Fe(SO4)2- 6.251e-30 5.196e-30 -29.204 -29.284 -0.080 (0) + FeCl+2 1.168e-30 5.688e-31 -29.933 -30.245 -0.312 (0) + FeCl2+ 6.709e-33 5.605e-33 -32.173 -32.251 -0.078 (0) + FeCl3 1.431e-36 1.445e-36 -35.844 -35.840 0.004 (0) + FeHSO4+2 1.033e-37 4.932e-38 -36.986 -37.307 -0.321 (0) + Fe2(OH)2+4 0.000e+00 0.000e+00 -40.003 -41.287 -1.284 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -51.916 -53.923 -2.007 (0) +H(0) 1.251e-11 + H2 6.255e-12 6.316e-12 -11.204 -11.200 0.004 28.47 Na 3.377e-02 Na+ 3.259e-02 2.720e-02 -1.487 -1.565 -0.078 -0.12 NaSO4- 1.001e-03 8.395e-04 -3.000 -3.076 -0.076 -3.80 NaHCO3 1.789e-04 1.825e-04 -3.747 -3.739 0.009 31.79 - NaOH 3.552e-16 3.587e-16 -15.450 -15.445 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.680 -68.676 0.004 30.31 -S(-2) 2.598e-12 - HS- 2.589e-12 2.131e-12 -11.587 -11.671 -0.085 21.05 - S-2 6.924e-15 3.372e-15 -14.160 -14.472 -0.312 (0) - H2S 1.880e-15 1.899e-15 -14.726 -14.722 0.004 34.18 - Fe(HS)2 2.773e-25 2.800e-25 -24.557 -24.553 0.004 (0) - (H2S)2 2.900e-31 2.928e-31 -30.538 -30.533 0.004 42.42 - Fe(HS)3- 1.007e-34 8.368e-35 -33.997 -34.077 -0.080 (0) + O2 0.000e+00 0.000e+00 -68.668 -68.664 0.004 30.31 +S(-2) 2.455e-12 + HS- 2.446e-12 2.014e-12 -11.611 -11.696 -0.085 21.05 + S-2 6.543e-15 3.186e-15 -14.184 -14.497 -0.312 (0) + H2S 1.777e-15 1.794e-15 -14.750 -14.746 0.004 34.18 + Fe(HS)2 2.476e-25 2.501e-25 -24.606 -24.602 0.004 (0) + (H2S)2 2.590e-31 2.615e-31 -30.587 -30.582 0.004 42.42 + Fe(HS)3- 8.496e-35 7.062e-35 -34.071 -34.151 -0.080 (0) S(6) 3.615e-03 SO4-2 2.614e-03 1.268e-03 -2.583 -2.897 -0.314 26.61 NaSO4- 1.001e-03 8.395e-04 -3.000 -3.076 -0.076 -3.80 @@ -1831,9 +1824,9 @@ S(6) 3.615e-03 FeSO4 1.185e-11 1.196e-11 -10.926 -10.922 0.004 14.09 CaHSO4+ 4.797e-16 3.988e-16 -15.319 -15.399 -0.080 (0) FeHSO4+ 1.576e-20 1.310e-20 -19.802 -19.883 -0.080 (0) - FeSO4+ 1.586e-28 1.325e-28 -27.800 -27.878 -0.078 (0) - Fe(SO4)2- 6.207e-30 5.160e-30 -29.207 -29.287 -0.080 (0) - FeHSO4+2 1.026e-37 4.897e-38 -36.989 -37.310 -0.321 (0) + FeSO4+ 1.597e-28 1.334e-28 -27.797 -27.875 -0.078 (0) + Fe(SO4)2- 6.251e-30 5.196e-30 -29.204 -29.284 -0.080 (0) + FeHSO4+2 1.033e-37 4.932e-38 -36.986 -37.307 -0.321 (0) ------------------------------Saturation indices------------------------------- @@ -1843,24 +1836,24 @@ S(6) 3.615e-03 Aragonite -0.14 -8.25 -8.11 CaCO3 Barite -0.00 -9.61 -9.61 BaSO4 Calcite -0.00 -8.25 -8.24 CaCO3 - CH4(g) -10.75 -13.78 -3.03 CH4 + CH4(g) -10.78 -13.81 -3.03 CH4 CO2(g) -4.11 -5.81 -1.70 CO2 - Fe(OH)3(a) -4.24 0.38 4.61 Fe(OH)3 - FeS(ppt) -8.17 -12.09 -3.92 FeS + Fe(OH)3(a) -4.23 0.38 4.61 Fe(OH)3 + FeS(ppt) -8.19 -12.11 -3.92 FeS Goethite 1.63 0.38 -1.25 FeOOH Gypsum -4.27 -8.71 -4.44 CaSO4:2H2O - H2(g) -7.93 -11.19 -3.26 H2 + H2(g) -7.94 -11.20 -3.26 H2 H2O(g) -1.28 -0.00 1.28 H2O - H2S(g) -13.50 -21.53 -8.04 H2S + H2S(g) -13.52 -21.56 -8.04 H2S Halite -5.87 -4.25 1.62 NaCl - Hematite 5.25 0.75 -4.50 Fe2O3 - Mackinawite -7.54 -12.09 -4.55 FeS + Hematite 5.26 0.76 -4.50 Fe2O3 + Mackinawite -7.56 -12.11 -4.55 FeS Melanterite -10.34 -13.18 -2.84 FeSO4:7H2O Mirabilite -5.06 -6.03 -0.98 Na2SO4:10H2O - O2(g) -65.59 -68.68 -3.08 O2 - Pyrite -7.41 -25.75 -18.34 FeS2 + O2(g) -65.58 -68.66 -3.08 O2 + Pyrite -7.45 -25.79 -18.34 FeS2 Siderite -2.05 -12.71 -10.67 FeCO3 - Sulfur -11.44 -6.85 4.59 S + Sulfur -11.46 -6.87 4.59 S Thenardite -5.84 -6.03 -0.19 Na2SO4 Witherite -0.88 -9.15 -8.26 BaCO3 @@ -1909,7 +1902,7 @@ Reading input data for simulation 16. -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -1920,7 +1913,7 @@ Reading input data for simulation 16. -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -1936,7 +1929,7 @@ Reading input data for simulation 16. -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -1947,7 +1940,7 @@ Reading input data for simulation 16. -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -1963,7 +1956,7 @@ Reading input data for simulation 16. -total_o 55.506216801175 -cb -1.4173167838645e-09 -density 0.99708478442514 - -viscosity 0.89026271518154 + -viscosity 0.890262715462 -totals Cl 0.0010000000000003 H(0) 1.4155655512664e-25 @@ -1974,7 +1967,7 @@ Reading input data for simulation 16. -ah2o 0.99996599645788 -mass_water 1 -soln_vol 1.0029823544696 - -total_alkalinity 1.4173167636833e-09 + -total_alkalinity 1.4173167636735e-09 -activities Cl -3.0155261275385 E -4 @@ -2465,49 +2458,49 @@ Reading input data for simulation 16. -pressure 300 -potential 0 -total_h 111.02097669946 - -total_o 55.569362375094 - -cb 0.00018244632271243 + -total_o 55.569362375096 + -cb 0.00018244632275129 -density 1.0105593314927 - -viscosity 0.81226711182609 + -viscosity 0.8122752878 -totals - Ba 9.7854536543711e-07 - C(-4) 1.6248550645529e-14 - C(4) 0.016235677384032 - Ca 1.3566418233194e-05 - Cl 0.0024999999999951 - Fe(2) 4.0446464473082e-09 - Fe(3) 3.2040304691179e-11 - H(0) 1.2687301576903e-11 - Na 0.033768689326395 - S(-2) 2.597604485357e-12 - S(6) 0.0036150000152854 - -pH 9.8611364075291 - -pe -5.9243764220945 - -mu 0.042596931268172 - -ah2o 0.99906312930994 - -mass_water 0.99999664419203 - -soln_vol 0.99172357056608 - -total_alkalinity 0.023885341021647 + Ba 9.7854536558955e-07 + C(-4) 1.5355022078563e-14 + C(4) 0.016235677385881 + Ca 1.3566418233355e-05 + Cl 0.002499999999998 + Fe(2) 4.0446464464897e-09 + Fe(3) 3.2267636793227e-11 + H(0) 1.2509162011826e-11 + Na 0.033768689326175 + S(-2) 2.4547588935524e-12 + S(6) 0.0036150000145016 + -pH 9.8611364073805 + -pe -5.9213058990161 + -mu 0.042596931266962 + -ah2o 0.99906312930993 + -mass_water 0.99999664419201 + -soln_vol 0.99172357056611 + -total_alkalinity 0.023885341023181 -activities - Ba -6.7128994661292 - C(-4) -13.785016509304 - C(4) -2.4327015402393 - Ca -5.8145726826841 - Cl -2.6852871894907 - E 5.9243764220945 - Fe(2) -10.279469951527 - Fe(3) -29.20704258683 - H(0) -11.193422654028 - Na -1.5653749026867 - O(0) -68.675940598693 - S(-2) -11.671544037194 - S(6) -2.8968859216287 + Ba -6.7128994660371 + C(-4) -13.80965757836 + C(4) -2.4327015402681 + Ca -5.8145726826544 + Cl -2.6852871894892 + E 5.9213058990161 + Fe(2) -10.27946995158 + Fe(3) -29.20396245307 + H(0) -11.199582921359 + Na -1.5653749026866 + O(0) -68.66362006403 + S(-2) -11.696185106463 + S(6) -2.8968859217203 -gammas EQUILIBRIUM_PHASES_RAW 3 Pure-phase assemblage after simulation 14. -new_def 0 -component Barite -si 0 - -moles 9.9978605940905 + -moles 9.9978605940903 -force_equality 0 -dissolve_only 0 -precipitate_only 0 @@ -2524,13 +2517,13 @@ Reading input data for simulation 16. -exchange_gammas 1 -component X -totals - Ba 0.001380787552158 - Ca 0.0077292399662909 - Fe 1.0371110902722e-07 - Na 0.98177974317062 - X 1.0000000056297 + Ba 0.0013807875525697 + Ca 0.0077292399674904 + Fe 1.0371110902359e-07 + Na 0.98177974326096 + X 1.0000000057233 -charge_balance 0 - -la 1.4795779925576 + -la 1.4795779925578 -phase_proportion 0 -formula_z 0 -new_def 0 @@ -2549,27 +2542,27 @@ Reading input data for simulation 16. -component Hfo_s -formula_z 0 -moles 0 - -la -0.7374921071568 - -charge_balance -8.3931202774993e-05 + -la -0.73749210708583 + -charge_balance -8.3931202761174e-05 -phase_proportion 0 -Dw 0 -charge_name Hfo -master_element Hfo_s -totals - Ba 0.00075816377389575 - Ca 0.0018078975744457 - Fe 0.00017963772113695 - H 0.0044246706571989 - Hfo_s 0.0099999999989307 - O 0.0099999999989307 + Ba 0.00075816377399388 + Ca 0.0018078975744196 + Fe 0.00017963772106481 + H 0.0044246706576642 + Hfo_s 0.009999999999382 + O 0.009999999999382 -charge_component Hfo -specific_area 600 -grams 1 - -charge_balance -8.3931202774993e-05 + -charge_balance -8.3931202761174e-05 -mass_water 0 -f_free 0 -ddl_viscosity 0 - -la_psi -0.23022847108035 + -la_psi -0.23022847104874 -capacitance0 1 -capacitance1 5 -diffuse_layer_totals @@ -2587,27 +2580,27 @@ Reading input data for simulation 16. SOLID_SOLUTIONS_RAW 3 Solid solution assemblage after simulation 14 -solid_solution Calcite -component calcite - -moles 0.090456086594291 - -initial_moles 0.090456086594291 + -moles 0.090456086594524 + -initial_moles 0.090456086594524 -init_moles 0.1 -delta 0 - -fraction_x 0.99101348130986 + -fraction_x 0.99101348131156 -log10_lambda 0 - -log10_fraction_x -0.0039204375241523 - -dn 10.955741273163 + -log10_fraction_x -0.0039204375234089 + -dn 10.955741273153 -dnc 0 - -dnb -0.09934675518792 + -dnb -0.099346755168912 -component siderite - -moles 0.00082025656375746 - -initial_moles 0.00082025656375746 + -moles 0.00082025656360335 + -initial_moles 0.00082025656360335 -init_moles 0.001 -delta 0 - -fraction_x 0.0089865186901403 + -fraction_x 0.0089865186884441 -log10_lambda 0 - -log10_fraction_x -2.0464085181084 - -dn 10.955741273163 + -log10_fraction_x -2.0464085181904 + -dn 10.955741273153 -dnc 0 - -dnb -1208.175009012 + -dnb -1208.1750092411 -tk 298.15 -input_case -1 -p 0 0 0 0 @@ -2620,8 +2613,8 @@ Reading input data for simulation 16. -miscibility 0 -spinodal 0 -ss_in 1 - -total_moles 0.091276343158048 - -dn 10.955741273163 + -total_moles 0.091276343158127 + -dn 10.955741273153 -totals -new_def 0 -SSassemblage_totals @@ -2630,13 +2623,13 @@ Reading input data for simulation 16. -total_p 300 -volume 1 -component CO2(g) - -moles 1.045170562903e-31 + -moles 1.0451705635491e-31 -p_read 0.00035 -initial_moles 1.4305536417623e-05 - -p 0.00031355116887089 + -p 0.00031355116906472 -phase_name is obsolete. Define with -component -phi 0.24830000182343 - -f 7.7854755802381e-05 + -f 7.7854755850508e-05 -new_def 0 -solution_equilibria 0 -n_solution -99 @@ -2660,16 +2653,16 @@ Reading input data for simulation 16. CaCO3 1 -d_params 1 1 1 1 - -moles 8.8743521420298e-09 + -moles 8.8743519199852e-09 -initial_moles 1 -equal_increments 1 -count 1 -steps 1 -totals - C 8.874352186655e-09 - Ca 8.874352186655e-09 - O 2.6623056559965e-08 + C 8.8743519652914e-09 + Ca 8.8743519652914e-09 + O 2.6623055895874e-08 MIX_RAW 3 2 0.5 3 0.5 @@ -2860,11 +2853,11 @@ X 1.000e+00 mol ----------------------------Description of solution---------------------------- pH = 9.782 Charge balance - pe = -5.702 Adjusted to redox equilibrium + pe = -5.703 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 3695 Density (g/cm³) = 1.00194 Volume (L) = 0.50017 - Viscosity (mPa s) = 0.81185 + Viscosity (mPa s) = 0.81186 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.199e-02 Mass of water (kg) = 5.000e-01 @@ -2892,8 +2885,8 @@ Ba 6.684e-07 BaSO4 9.760e-08 9.855e-08 -7.011 -7.006 0.004 (0) BaHCO3+ 1.844e-08 1.531e-08 -7.734 -7.815 -0.081 (0) BaOH+ 3.608e-11 3.012e-11 -10.443 -10.521 -0.078 (0) -C(-4) 2.947e-15 - CH4 2.947e-15 2.976e-15 -14.531 -14.526 0.004 35.98 +C(-4) 2.960e-15 + CH4 2.960e-15 2.989e-15 -14.529 -14.524 0.004 35.98 C(4) 1.735e-02 HCO3- 1.075e-02 9.006e-03 -1.969 -2.045 -0.077 25.45 CO3-2 6.355e-03 3.130e-03 -2.197 -2.504 -0.308 -1.94 @@ -2917,9 +2910,9 @@ Cl 3.000e-03 Cl- 3.000e-03 2.475e-03 -2.523 -2.606 -0.084 18.40 FeCl+ 1.747e-13 1.451e-13 -12.758 -12.838 -0.081 (0) HCl 1.411e-13 1.471e-13 -12.850 -12.833 0.018 (0) - FeCl+2 1.896e-30 9.207e-31 -29.722 -30.036 -0.314 (0) - FeCl2+ 1.123e-32 9.371e-33 -31.950 -32.028 -0.078 (0) - FeCl3 2.472e-36 2.496e-36 -35.607 -35.603 0.004 (0) + FeCl+2 1.895e-30 9.202e-31 -29.722 -30.036 -0.314 (0) + FeCl2+ 1.122e-32 9.366e-33 -31.950 -32.028 -0.078 (0) + FeCl3 2.470e-36 2.494e-36 -35.607 -35.603 0.004 (0) Fe(2) 3.209e-09 FeCO3 2.913e-09 2.941e-09 -8.536 -8.531 0.004 (0) FeOH+ 1.402e-10 1.170e-10 -9.853 -9.932 -0.078 (0) @@ -2930,38 +2923,37 @@ Fe(2) 3.209e-09 Fe(OH)3- 3.006e-12 2.509e-12 -11.522 -11.600 -0.078 (0) FeCl+ 1.747e-13 1.451e-13 -12.758 -12.838 -0.081 (0) FeHSO4+ 1.474e-20 1.225e-20 -19.831 -19.912 -0.081 (0) - Fe(HS)2 4.217e-27 4.258e-27 -26.375 -26.371 0.004 (0) - Fe(HS)3- 1.942e-37 1.613e-37 -36.712 -36.792 -0.081 (0) -Fe(3) 1.413e-11 - Fe(OH)4- 1.267e-11 1.061e-11 -10.897 -10.974 -0.077 (0) - Fe(OH)3 1.457e-12 1.471e-12 -11.836 -11.832 0.004 (0) - Fe(OH)2+ 1.695e-15 1.420e-15 -14.771 -14.848 -0.077 (0) - FeOH+2 1.129e-21 5.484e-22 -20.947 -21.261 -0.314 (0) - FeSO4+ 2.060e-28 1.720e-28 -27.686 -27.765 -0.078 (0) - Fe+3 3.789e-29 9.796e-30 -28.421 -29.009 -0.587 (0) - Fe(SO4)2- 6.630e-30 5.506e-30 -29.179 -29.259 -0.081 (0) - FeCl+2 1.896e-30 9.207e-31 -29.722 -30.036 -0.314 (0) - FeCl2+ 1.123e-32 9.371e-33 -31.950 -32.028 -0.078 (0) - FeCl3 2.472e-36 2.496e-36 -35.607 -35.603 0.004 (0) - FeHSO4+2 1.604e-37 7.633e-38 -36.795 -37.117 -0.322 (0) - Fe2(OH)2+4 1.288e-40 0.000e+00 -39.890 -41.180 -1.290 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -51.889 -53.905 -2.016 (0) -H(0) 8.273e-12 - H2 4.137e-12 4.177e-12 -11.383 -11.379 0.004 28.55 + Fe(HS)2 4.255e-27 4.296e-27 -26.371 -26.367 0.004 (0) + Fe(HS)3- 1.968e-37 1.635e-37 -36.706 -36.787 -0.081 (0) +Fe(3) 1.412e-11 + Fe(OH)4- 1.266e-11 1.061e-11 -10.897 -10.974 -0.077 (0) + Fe(OH)3 1.456e-12 1.471e-12 -11.837 -11.832 0.004 (0) + Fe(OH)2+ 1.694e-15 1.419e-15 -14.771 -14.848 -0.077 (0) + FeOH+2 1.129e-21 5.481e-22 -20.947 -21.261 -0.314 (0) + FeSO4+ 2.059e-28 1.719e-28 -27.686 -27.765 -0.078 (0) + Fe+3 3.787e-29 9.791e-30 -28.422 -29.009 -0.587 (0) + Fe(SO4)2- 6.626e-30 5.503e-30 -29.179 -29.259 -0.081 (0) + FeCl+2 1.895e-30 9.202e-31 -29.722 -30.036 -0.314 (0) + FeCl2+ 1.122e-32 9.366e-33 -31.950 -32.028 -0.078 (0) + FeCl3 2.470e-36 2.494e-36 -35.607 -35.603 0.004 (0) + FeHSO4+2 1.603e-37 7.628e-38 -36.795 -37.118 -0.322 (0) + Fe2(OH)2+4 1.286e-40 0.000e+00 -39.891 -41.181 -1.290 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -51.890 -53.906 -2.016 (0) +H(0) 8.282e-12 + H2 4.141e-12 4.181e-12 -11.383 -11.379 0.004 28.55 Na 3.410e-02 Na+ 3.304e-02 2.756e-02 -1.481 -1.560 -0.079 -0.69 NaSO4- 8.185e-04 6.863e-04 -3.087 -3.164 -0.077 -7.05 NaHCO3 2.371e-04 2.418e-04 -3.625 -3.617 0.008 31.71 - NaOH 2.593e-16 2.619e-16 -15.586 -15.582 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.129 -68.125 0.004 30.61 -S(-2) 3.902e-13 - HS- 3.891e-13 3.200e-13 -12.410 -12.495 -0.085 21.00 - S-2 7.330e-16 3.559e-16 -15.135 -15.449 -0.314 (0) - H2S 3.737e-16 3.774e-16 -15.427 -15.423 0.004 36.27 - Fe(HS)2 4.217e-27 4.258e-27 -26.375 -26.371 0.004 (0) - (H2S)2 9.764e-33 9.859e-33 -32.010 -32.006 0.004 34.33 - Fe(HS)3- 1.942e-37 1.613e-37 -36.712 -36.792 -0.081 (0) + O2 0.000e+00 0.000e+00 -68.130 -68.126 0.004 30.61 +S(-2) 3.919e-13 + HS- 3.908e-13 3.214e-13 -12.408 -12.493 -0.085 21.00 + S-2 7.362e-16 3.575e-16 -15.133 -15.447 -0.314 (0) + H2S 3.754e-16 3.790e-16 -15.426 -15.421 0.004 36.27 + Fe(HS)2 4.255e-27 4.296e-27 -26.371 -26.367 0.004 (0) + (H2S)2 9.851e-33 9.947e-33 -32.006 -32.002 0.004 34.33 + Fe(HS)3- 1.968e-37 1.635e-37 -36.706 -36.787 -0.081 (0) S(6) 3.524e-03 SO4-2 2.705e-03 1.308e-03 -2.568 -2.883 -0.315 23.41 NaSO4- 8.185e-04 6.863e-04 -3.087 -3.164 -0.077 -7.05 @@ -2971,9 +2963,9 @@ S(6) 3.524e-03 FeSO4 1.033e-11 1.043e-11 -10.986 -10.982 0.004 14.09 CaHSO4+ 4.175e-16 3.468e-16 -15.379 -15.460 -0.081 (0) FeHSO4+ 1.474e-20 1.225e-20 -19.831 -19.912 -0.081 (0) - FeSO4+ 2.060e-28 1.720e-28 -27.686 -27.765 -0.078 (0) - Fe(SO4)2- 6.630e-30 5.506e-30 -29.179 -29.259 -0.081 (0) - FeHSO4+2 1.604e-37 7.633e-38 -36.795 -37.117 -0.322 (0) + FeSO4+ 2.059e-28 1.719e-28 -27.686 -27.765 -0.078 (0) + Fe(SO4)2- 6.626e-30 5.503e-30 -29.179 -29.259 -0.081 (0) + FeHSO4+2 1.603e-37 7.628e-38 -36.795 -37.118 -0.322 (0) ------------------------------Saturation indices------------------------------- @@ -2983,21 +2975,21 @@ S(6) 3.524e-03 Aragonite -0.15 -8.43 -8.28 CaCO3 Barite 0.00 -9.73 -9.73 BaSO4 Calcite -0.00 -8.43 -8.42 CaCO3 - CH4(g) -11.62 -14.53 -2.91 CH4 + CH4(g) -11.62 -14.52 -2.91 CH4 CO2(g) -3.96 -5.55 -1.58 CO2 Fe(OH)3(a) -4.46 0.33 4.80 Fe(OH)3 - FeS(ppt) -9.17 -13.08 -3.92 FeS + FeS(ppt) -9.16 -13.08 -3.92 FeS Goethite 1.54 0.33 -1.20 FeOOH Gypsum -4.28 -8.81 -4.53 CaSO4:2H2O H2(g) -8.22 -11.38 -3.16 H2 H2O(g) -1.35 -0.00 1.35 H2O - H2S(g) -14.31 -22.28 -7.96 H2S + H2S(g) -14.31 -22.27 -7.96 H2S Halite -5.76 -4.17 1.59 NaCl Hematite 5.09 0.67 -4.42 Fe2O3 Mackinawite -8.47 -13.08 -4.61 FeS Melanterite -10.88 -13.25 -2.37 FeSO4:7H2O Mirabilite -5.00 -6.01 -1.01 Na2SO4:10H2O - O2(g) -65.15 -68.12 -2.98 O2 + O2(g) -65.15 -68.13 -2.98 O2 Pyrite -8.86 -27.20 -18.34 FeS2 Siderite -2.04 -12.87 -10.83 FeCO3 Sulfur -11.97 -7.26 4.70 S @@ -3149,8 +3141,8 @@ Ba 8.019e-07 BaSO4 1.207e-07 1.219e-07 -6.918 -6.914 0.004 (0) BaHCO3+ 2.280e-08 1.891e-08 -7.642 -7.723 -0.081 (0) BaOH+ 4.137e-11 3.448e-11 -10.383 -10.462 -0.079 (0) -C(-4) 4.545e-15 - CH4 4.545e-15 4.591e-15 -14.342 -14.338 0.004 36.09 +C(-4) 4.555e-15 + CH4 4.555e-15 4.601e-15 -14.341 -14.337 0.004 36.09 C(4) 1.779e-02 HCO3- 1.075e-02 8.994e-03 -1.969 -2.046 -0.077 25.77 CO3-2 6.788e-03 3.325e-03 -2.168 -2.478 -0.310 -1.08 @@ -3174,9 +3166,9 @@ Cl 3.000e-03 Cl- 3.000e-03 2.471e-03 -2.523 -2.607 -0.084 18.45 FeCl+ 2.008e-13 1.666e-13 -12.697 -12.778 -0.081 (0) HCl 1.584e-13 1.653e-13 -12.800 -12.782 0.018 (0) - FeCl+2 2.110e-30 1.019e-30 -29.676 -29.992 -0.316 (0) - FeCl2+ 1.338e-32 1.115e-32 -31.874 -31.953 -0.079 (0) - FeCl3 3.162e-36 3.194e-36 -35.500 -35.496 0.004 (0) + FeCl+2 2.110e-30 1.018e-30 -29.676 -29.992 -0.316 (0) + FeCl2+ 1.337e-32 1.115e-32 -31.874 -31.953 -0.079 (0) + FeCl3 3.161e-36 3.193e-36 -35.500 -35.496 0.004 (0) Fe(2) 3.634e-09 FeCO3 3.298e-09 3.332e-09 -8.482 -8.477 0.004 (0) FeOH+ 1.540e-10 1.284e-10 -9.812 -9.891 -0.079 (0) @@ -3187,38 +3179,37 @@ Fe(2) 3.634e-09 Fe(OH)3- 3.491e-12 2.910e-12 -11.457 -11.536 -0.079 (0) FeCl+ 2.008e-13 1.666e-13 -12.697 -12.778 -0.081 (0) FeHSO4+ 1.829e-20 1.517e-20 -19.738 -19.819 -0.081 (0) - Fe(HS)2 1.244e-26 1.257e-26 -25.905 -25.901 0.004 (0) - Fe(HS)3- 9.547e-37 7.919e-37 -36.020 -36.101 -0.081 (0) + Fe(HS)2 1.250e-26 1.263e-26 -25.903 -25.899 0.004 (0) + Fe(HS)3- 9.613e-37 7.973e-37 -36.017 -36.098 -0.081 (0) Fe(3) 1.621e-11 - Fe(OH)4- 1.458e-11 1.220e-11 -10.836 -10.914 -0.077 (0) - Fe(OH)3 1.628e-12 1.645e-12 -11.788 -11.784 0.004 (0) - Fe(OH)2+ 1.846e-15 1.544e-15 -14.734 -14.811 -0.077 (0) - FeOH+2 1.202e-21 5.800e-22 -20.920 -21.237 -0.316 (0) + Fe(OH)4- 1.458e-11 1.219e-11 -10.836 -10.914 -0.077 (0) + Fe(OH)3 1.628e-12 1.644e-12 -11.788 -11.784 0.004 (0) + Fe(OH)2+ 1.845e-15 1.544e-15 -14.734 -14.811 -0.077 (0) + FeOH+2 1.201e-21 5.799e-22 -20.920 -21.237 -0.316 (0) FeSO4+ 2.357e-28 1.965e-28 -27.628 -27.707 -0.079 (0) - Fe+3 3.929e-29 1.008e-29 -28.406 -28.997 -0.591 (0) - Fe(SO4)2- 8.427e-30 6.989e-30 -29.074 -29.156 -0.081 (0) - FeCl+2 2.110e-30 1.019e-30 -29.676 -29.992 -0.316 (0) - FeCl2+ 1.338e-32 1.115e-32 -31.874 -31.953 -0.079 (0) - FeCl3 3.162e-36 3.194e-36 -35.500 -35.496 0.004 (0) - FeHSO4+2 1.926e-37 9.116e-38 -36.715 -37.040 -0.325 (0) - Fe2(OH)2+4 1.474e-40 0.000e+00 -39.832 -41.131 -1.300 (0) + Fe+3 3.928e-29 1.008e-29 -28.406 -28.997 -0.591 (0) + Fe(SO4)2- 8.424e-30 6.987e-30 -29.074 -29.156 -0.081 (0) + FeCl+2 2.110e-30 1.018e-30 -29.676 -29.992 -0.316 (0) + FeCl2+ 1.337e-32 1.115e-32 -31.874 -31.953 -0.079 (0) + FeCl3 3.161e-36 3.193e-36 -35.500 -35.496 0.004 (0) + FeHSO4+2 1.926e-37 9.113e-38 -36.715 -37.040 -0.325 (0) + Fe2(OH)2+4 1.473e-40 0.000e+00 -39.832 -41.132 -1.300 (0) Fe3(OH)4+5 0.000e+00 0.000e+00 -51.789 -53.820 -2.031 (0) -H(0) 8.670e-12 - H2 4.335e-12 4.379e-12 -11.363 -11.359 0.004 28.51 +H(0) 8.675e-12 + H2 4.338e-12 4.381e-12 -11.363 -11.358 0.004 28.51 Na 3.524e-02 Na+ 3.405e-02 2.836e-02 -1.468 -1.547 -0.079 -0.39 NaSO4- 9.497e-04 7.952e-04 -3.022 -3.100 -0.077 -5.25 NaHCO3 2.380e-04 2.428e-04 -3.623 -3.615 0.009 31.75 - NaOH 2.742e-16 2.770e-16 -15.562 -15.558 0.004 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -68.260 -68.256 0.004 30.45 -S(-2) 5.973e-13 - HS- 5.955e-13 4.890e-13 -12.225 -12.311 -0.086 21.03 - S-2 1.173e-15 5.663e-16 -14.931 -15.247 -0.316 (0) - H2S 5.661e-16 5.718e-16 -15.247 -15.243 0.004 35.19 - Fe(HS)2 1.244e-26 1.257e-26 -25.905 -25.901 0.004 (0) - (H2S)2 2.484e-32 2.509e-32 -31.605 -31.601 0.004 38.52 - Fe(HS)3- 9.547e-37 7.919e-37 -36.020 -36.101 -0.081 (0) + O2 0.000e+00 0.000e+00 -68.261 -68.256 0.004 30.45 +S(-2) 5.987e-13 + HS- 5.969e-13 4.901e-13 -12.224 -12.310 -0.086 21.03 + S-2 1.176e-15 5.676e-16 -14.930 -15.246 -0.316 (0) + H2S 5.674e-16 5.731e-16 -15.246 -15.242 0.004 35.19 + Fe(HS)2 1.250e-26 1.263e-26 -25.903 -25.899 0.004 (0) + (H2S)2 2.495e-32 2.520e-32 -31.603 -31.599 0.004 38.52 + Fe(HS)3- 9.613e-37 7.973e-37 -36.017 -36.098 -0.081 (0) S(6) 3.662e-03 SO4-2 2.712e-03 1.304e-03 -2.567 -2.885 -0.318 25.15 NaSO4- 9.497e-04 7.952e-04 -3.022 -3.100 -0.077 -5.25 @@ -3229,8 +3220,8 @@ S(6) 3.662e-03 CaHSO4+ 5.304e-16 4.399e-16 -15.275 -15.357 -0.081 (0) FeHSO4+ 1.829e-20 1.517e-20 -19.738 -19.819 -0.081 (0) FeSO4+ 2.357e-28 1.965e-28 -27.628 -27.707 -0.079 (0) - Fe(SO4)2- 8.427e-30 6.989e-30 -29.074 -29.156 -0.081 (0) - FeHSO4+2 1.926e-37 9.116e-38 -36.715 -37.040 -0.325 (0) + Fe(SO4)2- 8.424e-30 6.987e-30 -29.074 -29.156 -0.081 (0) + FeHSO4+2 1.926e-37 9.113e-38 -36.715 -37.040 -0.325 (0) ------------------------------Saturation indices------------------------------- @@ -3243,7 +3234,7 @@ S(6) 3.662e-03 CH4(g) -11.37 -14.34 -2.97 CH4 CO2(g) -3.93 -5.57 -1.64 CO2 Fe(OH)3(a) -4.41 0.29 4.70 Fe(OH)3 - FeS(ppt) -8.94 -12.85 -3.92 FeS + FeS(ppt) -8.93 -12.85 -3.92 FeS Goethite 1.52 0.29 -1.23 FeOOH Gypsum -4.26 -8.74 -4.48 CaSO4:2H2O H2(g) -8.15 -11.36 -3.21 H2 @@ -3378,7 +3369,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 30°C) = 3962 Density (g/cm³) = 1.01070 Volume (L) = 0.49590 - Viscosity (mPa s) = 0.81370 + Viscosity (mPa s) = 0.81371 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.482e-02 Mass of water (kg) = 5.000e-01 @@ -3406,8 +3397,8 @@ Ba 9.551e-07 BaSO4 1.492e-07 1.508e-07 -6.826 -6.822 0.004 (0) BaHCO3+ 2.812e-08 2.329e-08 -7.551 -7.633 -0.082 (0) BaOH+ 4.713e-11 3.924e-11 -10.327 -10.406 -0.080 (0) -C(-4) 6.622e-15 - CH4 6.622e-15 6.691e-15 -14.179 -14.175 0.004 36.19 +C(-4) 6.625e-15 + CH4 6.625e-15 6.694e-15 -14.179 -14.174 0.004 36.19 C(4) 1.821e-02 HCO3- 1.075e-02 8.981e-03 -1.969 -2.047 -0.078 26.07 CO3-2 7.212e-03 3.516e-03 -2.142 -2.454 -0.312 -0.28 @@ -3432,8 +3423,8 @@ Cl 3.000e-03 FeCl+ 2.305e-13 1.909e-13 -12.637 -12.719 -0.082 (0) HCl 1.780e-13 1.860e-13 -12.750 -12.731 0.019 (0) FeCl+2 2.362e-30 1.135e-30 -29.627 -29.945 -0.318 (0) - FeCl2+ 1.606e-32 1.337e-32 -31.794 -31.874 -0.080 (0) - FeCl3 4.077e-36 4.119e-36 -35.390 -35.385 0.004 (0) + FeCl2+ 1.605e-32 1.337e-32 -31.794 -31.874 -0.080 (0) + FeCl3 4.076e-36 4.119e-36 -35.390 -35.385 0.004 (0) Fe(2) 4.113e-09 FeCO3 3.735e-09 3.773e-09 -8.428 -8.423 0.004 (0) FeOH+ 1.687e-10 1.405e-10 -9.773 -9.852 -0.080 (0) @@ -3444,38 +3435,37 @@ Fe(2) 4.113e-09 Fe(OH)3- 4.033e-12 3.358e-12 -11.394 -11.474 -0.080 (0) FeCl+ 2.305e-13 1.909e-13 -12.637 -12.719 -0.082 (0) FeHSO4+ 2.277e-20 1.886e-20 -19.643 -19.724 -0.082 (0) - Fe(HS)2 3.300e-26 3.334e-26 -25.482 -25.477 0.004 (0) - Fe(HS)3- 4.001e-36 3.314e-36 -35.398 -35.480 -0.082 (0) -Fe(3) 1.864e-11 - Fe(OH)4- 1.681e-11 1.405e-11 -10.774 -10.852 -0.078 (0) + Fe(HS)2 3.303e-26 3.338e-26 -25.481 -25.477 0.004 (0) + Fe(HS)3- 4.007e-36 3.320e-36 -35.397 -35.479 -0.082 (0) +Fe(3) 1.863e-11 + Fe(OH)4- 1.681e-11 1.404e-11 -10.774 -10.852 -0.078 (0) Fe(OH)3 1.825e-12 1.844e-12 -11.739 -11.734 0.004 (0) Fe(OH)2+ 2.018e-15 1.686e-15 -14.695 -14.773 -0.078 (0) FeOH+2 1.284e-21 6.166e-22 -20.892 -21.210 -0.318 (0) FeSO4+ 2.728e-28 2.271e-28 -27.564 -27.644 -0.080 (0) Fe+3 4.094e-29 1.043e-29 -28.388 -28.982 -0.594 (0) - Fe(SO4)2- 1.088e-29 9.017e-30 -28.963 -29.045 -0.082 (0) + Fe(SO4)2- 1.088e-29 9.016e-30 -28.963 -29.045 -0.082 (0) FeCl+2 2.362e-30 1.135e-30 -29.627 -29.945 -0.318 (0) - FeCl2+ 1.606e-32 1.337e-32 -31.794 -31.874 -0.080 (0) - FeCl3 4.077e-36 4.119e-36 -35.390 -35.385 0.004 (0) + FeCl2+ 1.605e-32 1.337e-32 -31.794 -31.874 -0.080 (0) + FeCl3 4.076e-36 4.119e-36 -35.390 -35.385 0.004 (0) FeHSO4+2 2.339e-37 1.101e-37 -36.631 -36.958 -0.327 (0) Fe2(OH)2+4 1.699e-40 0.000e+00 -39.770 -41.078 -1.308 (0) Fe3(OH)4+5 0.000e+00 0.000e+00 -51.684 -53.728 -2.044 (0) -H(0) 8.953e-12 - H2 4.477e-12 4.523e-12 -11.349 -11.345 0.004 28.47 +H(0) 8.954e-12 + H2 4.477e-12 4.524e-12 -11.349 -11.345 0.004 28.47 Na 3.634e-02 Na+ 3.501e-02 2.913e-02 -1.456 -1.536 -0.080 -0.12 NaSO4- 1.093e-03 9.141e-04 -2.961 -3.039 -0.078 -3.57 NaHCO3 2.393e-04 2.443e-04 -3.621 -3.612 0.009 31.79 - NaOH 2.896e-16 2.926e-16 -15.538 -15.534 0.004 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.378 -68.374 0.004 30.31 -S(-2) 8.672e-13 - HS- 8.646e-13 7.088e-13 -12.063 -12.150 -0.086 21.06 - S-2 1.779e-15 8.546e-16 -14.750 -15.068 -0.318 (0) - H2S 8.204e-16 8.289e-16 -15.086 -15.081 0.004 34.18 - Fe(HS)2 3.300e-26 3.334e-26 -25.482 -25.477 0.004 (0) - (H2S)2 5.524e-32 5.581e-32 -31.258 -31.253 0.004 42.42 - Fe(HS)3- 4.001e-36 3.314e-36 -35.398 -35.480 -0.082 (0) +S(-2) 8.676e-13 + HS- 8.650e-13 7.091e-13 -12.063 -12.149 -0.086 21.06 + S-2 1.780e-15 8.551e-16 -14.750 -15.068 -0.318 (0) + H2S 8.209e-16 8.294e-16 -15.086 -15.081 0.004 34.18 + Fe(HS)2 3.303e-26 3.338e-26 -25.481 -25.477 0.004 (0) + (H2S)2 5.529e-32 5.587e-32 -31.257 -31.253 0.004 42.42 + Fe(HS)3- 4.007e-36 3.320e-36 -35.397 -35.479 -0.082 (0) S(6) 3.791e-03 SO4-2 2.698e-03 1.291e-03 -2.569 -2.889 -0.320 26.77 NaSO4- 1.093e-03 9.141e-04 -2.961 -3.039 -0.078 -3.57 @@ -3486,7 +3476,7 @@ S(6) 3.791e-03 CaHSO4+ 6.762e-16 5.602e-16 -15.170 -15.252 -0.082 (0) FeHSO4+ 2.277e-20 1.886e-20 -19.643 -19.724 -0.082 (0) FeSO4+ 2.728e-28 2.271e-28 -27.564 -27.644 -0.080 (0) - Fe(SO4)2- 1.088e-29 9.017e-30 -28.963 -29.045 -0.082 (0) + Fe(SO4)2- 1.088e-29 9.016e-30 -28.963 -29.045 -0.082 (0) FeHSO4+2 2.339e-37 1.101e-37 -36.631 -36.958 -0.327 (0) ------------------------------Saturation indices------------------------------- @@ -3499,13 +3489,13 @@ S(6) 3.791e-03 Calcite -0.00 -8.25 -8.24 CaCO3 CH4(g) -11.14 -14.17 -3.03 CH4 CO2(g) -3.89 -5.60 -1.70 CO2 - Fe(OH)3(a) -4.36 0.25 4.61 Fe(OH)3 + Fe(OH)3(a) -4.37 0.25 4.61 Fe(OH)3 FeS(ppt) -8.73 -12.65 -3.92 FeS Goethite 1.50 0.25 -1.25 FeOOH Gypsum -4.24 -8.68 -4.44 CaSO4:2H2O H2(g) -8.08 -11.34 -3.26 H2 H2O(g) -1.28 -0.00 1.28 H2O - H2S(g) -13.86 -21.89 -8.04 H2S + H2S(g) -13.85 -21.89 -8.04 H2S Halite -5.76 -4.14 1.62 NaCl Hematite 5.00 0.49 -4.50 Fe2O3 Mackinawite -8.10 -12.65 -4.55 FeS diff --git a/mytest/ppdump_101.sel b/mytest/ppdump_101.sel index dfbce8c43..9504cfb32 100644 --- a/mytest/ppdump_101.sel +++ b/mytest/ppdump_101.sel @@ -1,13 +1,13 @@ Mu SC - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088057 - 0.033889225497 2942.8315545775 - 0.035121027341 3059.0779736929 - 0.036284144011 3169.7169780500 - 0.040352058352 3503.9191714048 - 0.041507548718 3617.1488597945 - 0.042596931268 3724.6843372200 - 0.041988701463 3695.8628906202 - 0.043443474363 3832.7696568462 - 0.044816662088 3962.7215512139 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087775 + 0.033889225497 2942.8148523125 + 0.035121027341 3059.0610781240 + 0.036284144011 3169.6999191387 + 0.040352058351 3503.9022801857 + 0.041507548720 3617.1319806974 + 0.042596931267 3724.6674904799 + 0.041988701463 3695.8472126935 + 0.043443474363 3832.7539388113 + 0.044816662088 3962.7058177293 diff --git a/mytest/pr_h2o.out b/mytest/pr_h2o.out index 3a1daf55f..746a0bab3 100644 --- a/mytest/pr_h2o.out +++ b/mytest/pr_h2o.out @@ -73,7 +73,7 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.939e-20 + Total alkalinity (eq/kg) = 3.028e-20 Temperature (°C) = 30.00 Electrical balance (eq) = -2.244e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -96,7 +96,6 @@ H(0) 1.983e-25 H2 9.916e-26 9.920e-26 -25.004 -25.004 0.000 28.60 Na 1.562e-03 Na+ 1.562e-03 1.495e-03 -2.806 -2.826 -0.019 -1.22 - NaOH 1.808e-20 1.809e-20 -19.743 -19.743 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -40.786 -40.786 0.000 30.77 @@ -176,8 +175,8 @@ H2O(g) -1.00 1.000e-01 0.999 4.087e-12 5.549e+01 5.549e+01 ----------------------------Description of solution---------------------------- - pH = 6.585 Charge balance - pe = 9.158 Adjusted to redox equilibrium + pH = 6.588 Charge balance + pe = 9.120 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 359077 Density (g/cm³) = 1.15908 Volume (L) = 0.00034 @@ -185,12 +184,12 @@ H2O(g) -1.00 1.000e-01 0.999 4.087e-12 5.549e+01 5.549e+01 Activity of water = 0.823 Ionic strength (mol/kgw) = 5.211e+00 Mass of water (kg) = 2.998e-04 - Total alkalinity (eq/kg) = 2.976e-10 + Total alkalinity (eq/kg) = 4.504e-09 Temperature (°C) = 50.00 Pressure (atm) = 0.10 - Electrical balance (eq) = -9.163e-14 + Electrical balance (eq) = -1.363e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 206 + Iterations = 130 Total H = 3.327830e-02 Total O = 1.663915e-02 @@ -199,28 +198,27 @@ H2O(g) -1.00 1.000e-01 0.999 4.087e-12 5.549e+01 5.549e+01 Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 3.737e-07 1.733e-07 -6.428 -6.761 -0.334 4.57 - H+ 3.720e-07 2.599e-07 -6.430 -6.585 -0.156 0.00 + OH- 3.758e-07 1.743e-07 -6.425 -6.759 -0.334 4.57 + H+ 3.699e-07 2.584e-07 -6.432 -6.588 -0.156 0.00 H2O 5.551e+01 8.228e-01 1.744 -0.085 0.000 18.23 Cl 5.211e+00 Cl- 5.211e+00 3.024e+00 0.717 0.481 -0.236 20.30 - HCl 1.404e-09 2.318e-07 -8.852 -6.635 2.218 (0) -H(0) 1.107e-35 - H2 5.535e-36 1.837e-35 -35.257 -34.736 0.521 28.59 + HCl 1.397e-09 2.305e-07 -8.855 -6.637 2.218 (0) +H(0) 1.301e-35 + H2 6.506e-36 2.160e-35 -35.187 -34.666 0.521 28.59 Na 5.211e+00 Na+ 5.211e+00 7.021e+00 0.717 0.846 0.130 1.45 - NaOH 3.666e-17 1.217e-16 -16.436 -15.915 0.521 (0) -O(0) 1.400e-16 - O2 7.000e-17 2.324e-16 -16.155 -15.634 0.521 31.93 +O(0) 1.013e-16 + O2 5.066e-17 1.682e-16 -16.295 -15.774 0.521 31.93 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 0 atm) - H2(g) -31.60 -34.74 -3.14 H2 + H2(g) -31.53 -34.67 -3.14 H2 H2O(g) -1.00 -0.08 0.92 H2O Pressure 0.1 atm, phi 0.999 Halite -0.26 1.33 1.59 NaCl - O2(g) -12.60 -15.63 -3.03 O2 + O2(g) -12.74 -15.77 -3.03 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -244,7 +242,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.629 Charge balance - pe = 1.401 Adjusted to redox equilibrium + pe = 1.736 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 292 Density (g/cm³) = 0.98829 Volume (L) = 1.01194 @@ -252,12 +250,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.580e-20 + Total alkalinity (eq/kg) = 5.753e-19 Temperature (°C) = 50.00 Pressure (atm) = 5.64 - Electrical balance (eq) = -2.269e-16 + Electrical balance (eq) = -2.309e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 166 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -272,22 +270,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.24 HCl 1.034e-10 1.036e-10 -9.985 -9.985 0.001 (0) -H(0) 9.717e-20 - H2 4.858e-20 4.860e-20 -19.314 -19.313 0.000 28.58 +H(0) 2.077e-20 + H2 1.038e-20 1.039e-20 -19.984 -19.983 0.000 28.58 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.50 - NaOH 3.489e-20 3.490e-20 -19.457 -19.457 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.314 -46.313 0.000 31.91 + O2 0.000e+00 0.000e+00 -44.973 -44.973 0.000 31.91 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 6 atm) - H2(g) -16.17 -19.31 -3.14 H2 + H2(g) -16.84 -19.98 -3.14 H2 H2O(g) -0.91 -0.00 0.91 H2O Halite -7.24 -5.65 1.59 NaCl - O2(g) -43.28 -46.31 -3.03 O2 + O2(g) -41.94 -44.97 -3.03 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -311,7 +308,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.628 Charge balance - pe = 1.618 Adjusted to redox equilibrium + pe = 1.613 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 292 Density (g/cm³) = 0.98854 Volume (L) = 1.01169 @@ -319,12 +316,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.081e-17 + Total alkalinity (eq/kg) = -2.173e-15 Temperature (°C) = 50.00 Pressure (atm) = 11.19 - Electrical balance (eq) = -2.137e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 12 + Electrical balance (eq) = 3.263e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 80 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -339,22 +336,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.25 HCl 1.041e-10 1.042e-10 -9.983 -9.982 0.001 (0) -H(0) 3.579e-20 - H2 1.790e-20 1.790e-20 -19.747 -19.747 0.000 28.58 +H(0) 3.657e-20 + H2 1.828e-20 1.829e-20 -19.738 -19.738 0.000 28.58 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.48 - NaOH 3.494e-20 3.495e-20 -19.457 -19.457 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.451 -45.451 0.000 31.90 + O2 0.000e+00 0.000e+00 -45.470 -45.469 0.000 31.90 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 11 atm) - H2(g) -16.61 -19.75 -3.14 H2 + H2(g) -16.60 -19.74 -3.14 H2 H2O(g) -0.91 -0.00 0.91 H2O Halite -7.24 -5.65 1.59 NaCl - O2(g) -42.42 -45.45 -3.04 O2 + O2(g) -42.43 -45.47 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -378,7 +374,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.627 Charge balance - pe = 1.329 Adjusted to redox equilibrium + pe = 7.732 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 292 Density (g/cm³) = 0.98878 Volume (L) = 1.01144 @@ -386,12 +382,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.028e-20 + Total alkalinity (eq/kg) = 1.015e-14 Temperature (°C) = 50.00 Pressure (atm) = 16.73 - Electrical balance (eq) = -2.279e-16 + Electrical balance (eq) = -1.155e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 18 + Iterations = 89 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -406,22 +402,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.25 HCl 1.047e-10 1.049e-10 -9.980 -9.979 0.001 (0) -H(0) 1.354e-19 - H2 6.771e-20 6.773e-20 -19.169 -19.169 0.000 28.58 +H(0) 2.109e-32 + H2 1.055e-32 1.055e-32 -31.977 -31.977 0.000 28.58 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.46 - NaOH 3.499e-20 3.500e-20 -19.456 -19.456 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.611 -46.611 0.000 31.89 +O(0) 2.017e-21 + O2 1.009e-21 1.009e-21 -20.996 -20.996 0.000 31.89 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 17 atm) - H2(g) -16.03 -19.17 -3.14 H2 + H2(g) -28.83 -31.98 -3.14 H2 H2O(g) -0.91 -0.00 0.91 H2O Halite -7.24 -5.65 1.59 NaCl - O2(g) -43.57 -46.61 -3.04 O2 + O2(g) -17.96 -21.00 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -445,7 +440,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.626 Charge balance - pe = 1.550 Adjusted to redox equilibrium + pe = 7.749 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 292 Density (g/cm³) = 0.98902 Volume (L) = 1.01120 @@ -453,12 +448,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.722e-16 + Total alkalinity (eq/kg) = 1.817e-15 Temperature (°C) = 50.00 Pressure (atm) = 22.28 - Electrical balance (eq) = -2.131e-17 + Electrical balance (eq) = -2.303e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 165 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -473,22 +468,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.25 HCl 1.053e-10 1.055e-10 -9.977 -9.977 0.001 (0) -H(0) 4.886e-20 - H2 2.443e-20 2.444e-20 -19.612 -19.612 0.000 28.58 +H(0) 1.951e-32 + H2 9.756e-33 9.759e-33 -32.011 -32.011 0.000 28.58 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.45 - NaOH 3.504e-20 3.505e-20 -19.455 -19.455 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.731 -45.731 0.000 31.88 +O(0) 2.331e-21 + O2 1.166e-21 1.166e-21 -20.933 -20.933 0.000 31.88 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 22 atm) - H2(g) -16.47 -19.61 -3.15 H2 + H2(g) -28.86 -32.01 -3.15 H2 H2O(g) -0.91 -0.00 0.91 H2O Halite -7.24 -5.65 1.59 NaCl - O2(g) -42.69 -45.73 -3.04 O2 + O2(g) -17.89 -20.93 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -512,7 +506,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.625 Charge balance - pe = 1.500 Adjusted to redox equilibrium + pe = 1.479 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 293 Density (g/cm³) = 0.98926 Volume (L) = 1.01095 @@ -520,12 +514,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.224e-15 + Total alkalinity (eq/kg) = -1.196e-20 Temperature (°C) = 50.00 Pressure (atm) = 27.82 - Electrical balance (eq) = -4.920e-15 + Electrical balance (eq) = -2.252e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 21 + Iterations = 22 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -540,22 +534,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.25 HCl 1.060e-10 1.061e-10 -9.975 -9.974 0.001 (0) -H(0) 6.133e-20 - H2 3.066e-20 3.068e-20 -19.513 -19.513 0.000 28.57 +H(0) 6.746e-20 + H2 3.373e-20 3.374e-20 -19.472 -19.472 0.000 28.57 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.43 - NaOH 3.509e-20 3.510e-20 -19.455 -19.455 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.933 -45.933 0.000 31.86 + O2 0.000e+00 0.000e+00 -46.016 -46.016 0.000 31.86 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 28 atm) - H2(g) -16.36 -19.51 -3.15 H2 + H2(g) -16.32 -19.47 -3.15 H2 H2O(g) -0.91 -0.00 0.91 H2O Halite -7.25 -5.65 1.59 NaCl - O2(g) -42.89 -45.93 -3.04 O2 + O2(g) -42.97 -46.02 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -579,7 +572,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.624 Charge balance - pe = 1.733 Adjusted to redox equilibrium + pe = 7.981 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 293 Density (g/cm³) = 0.98950 Volume (L) = 1.01070 @@ -587,12 +580,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.354e-14 + Total alkalinity (eq/kg) = -5.427e-17 Temperature (°C) = 50.00 Pressure (atm) = 33.37 - Electrical balance (eq) = -6.279e-14 + Electrical balance (eq) = -1.702e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 17 + Iterations = 92 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -607,22 +600,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.25 HCl 1.066e-10 1.068e-10 -9.972 -9.971 0.001 (0) -H(0) 2.095e-20 - H2 1.047e-20 1.048e-20 -19.980 -19.980 0.000 28.57 +H(0) 6.684e-33 + H2 3.342e-33 3.343e-33 -32.476 -32.476 0.000 28.57 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.41 - NaOH 3.514e-20 3.515e-20 -19.454 -19.454 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.005 -45.004 0.000 31.85 +O(0) 1.943e-20 + O2 9.717e-21 9.721e-21 -20.012 -20.012 0.000 31.85 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 33 atm) - H2(g) -16.83 -19.98 -3.15 H2 + H2(g) -29.32 -32.48 -3.15 H2 H2O(g) -0.91 -0.00 0.91 H2O Halite -7.25 -5.65 1.59 NaCl - O2(g) -41.96 -45.00 -3.05 O2 + O2(g) -16.97 -20.01 -3.05 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -646,7 +638,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.623 Charge balance - pe = 1.426 Adjusted to redox equilibrium + pe = 1.359 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 293 Density (g/cm³) = 0.98974 Volume (L) = 1.01046 @@ -654,12 +646,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.831e-19 + Total alkalinity (eq/kg) = -4.644e-19 Temperature (°C) = 50.00 Pressure (atm) = 38.91 - Electrical balance (eq) = -2.237e-16 + Electrical balance (eq) = -2.235e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 51 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -674,22 +666,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.26 HCl 1.073e-10 1.075e-10 -9.969 -9.969 0.001 (0) -H(0) 8.601e-20 - H2 4.300e-20 4.302e-20 -19.366 -19.366 0.000 28.57 +H(0) 1.173e-19 + H2 5.867e-20 5.869e-20 -19.232 -19.231 0.000 28.57 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.39 - NaOH 3.519e-20 3.520e-20 -19.454 -19.453 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.236 -46.236 0.000 31.84 + O2 0.000e+00 0.000e+00 -46.506 -46.506 0.000 31.84 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 39 atm) - H2(g) -16.21 -19.37 -3.15 H2 + H2(g) -16.08 -19.23 -3.15 H2 H2O(g) -0.90 -0.00 0.90 H2O Halite -7.25 -5.65 1.59 NaCl - O2(g) -43.19 -46.24 -3.05 O2 + O2(g) -43.46 -46.51 -3.05 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -713,7 +704,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.622 Charge balance - pe = 1.290 Adjusted to redox equilibrium + pe = 8.171 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 293 Density (g/cm³) = 0.98998 Volume (L) = 1.01021 @@ -721,12 +712,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.693e-15 + Total alkalinity (eq/kg) = -3.523e-18 Temperature (°C) = 50.00 Pressure (atm) = 44.46 - Electrical balance (eq) = 1.721e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 15 + Electrical balance (eq) = -2.296e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 197 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -741,22 +732,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.26 HCl 1.080e-10 1.081e-10 -9.967 -9.966 0.001 (0) -H(0) 1.610e-19 - H2 8.049e-20 8.051e-20 -19.094 -19.094 0.000 28.57 +H(0) 2.781e-33 + H2 1.390e-33 1.391e-33 -32.857 -32.857 0.000 28.57 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.38 - NaOH 3.524e-20 3.525e-20 -19.453 -19.453 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.785 -46.785 0.000 31.83 +O(0) 1.099e-19 + O2 5.493e-20 5.495e-20 -19.260 -19.260 0.000 31.83 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 44 atm) - H2(g) -15.94 -19.09 -3.16 H2 + H2(g) -29.70 -32.86 -3.16 H2 H2O(g) -0.90 -0.00 0.90 H2O Halite -7.25 -5.65 1.60 NaCl - O2(g) -43.73 -46.79 -3.05 O2 + O2(g) -16.21 -19.26 -3.05 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -780,7 +770,7 @@ Using pressure 1. ----------------------------Description of solution---------------------------- pH = 6.621 Charge balance - pe = 1.549 Adjusted to redox equilibrium + pe = 8.162 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 293 Density (g/cm³) = 0.99022 Volume (L) = 1.00997 @@ -788,12 +778,12 @@ Using pressure 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.562e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.020e-15 + Total alkalinity (eq/kg) = 1.644e-13 Temperature (°C) = 50.00 Pressure (atm) = 50.00 - Electrical balance (eq) = -1.428e-15 + Electrical balance (eq) = -1.700e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 40 + Iterations = 151 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -808,22 +798,21 @@ Using pressure 1. Cl 1.562e-03 Cl- 1.562e-03 1.491e-03 -2.806 -2.826 -0.020 18.26 HCl 1.086e-10 1.088e-10 -9.964 -9.963 0.001 (0) -H(0) 4.870e-20 - H2 2.435e-20 2.436e-20 -19.614 -19.613 0.000 28.56 +H(0) 2.893e-33 + H2 1.446e-33 1.447e-33 -32.840 -32.840 0.000 28.56 Na 1.562e-03 Na+ 1.562e-03 1.492e-03 -2.806 -2.826 -0.020 -0.36 - NaOH 3.529e-20 3.531e-20 -19.452 -19.452 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.752 -45.752 0.000 31.81 +O(0) 1.004e-19 + O2 5.020e-20 5.021e-20 -19.299 -19.299 0.000 31.81 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 50 atm) - H2(g) -16.45 -19.61 -3.16 H2 + H2(g) -29.68 -32.84 -3.16 H2 H2O(g) -0.90 -0.00 0.90 H2O Halite -7.25 -5.65 1.60 NaCl - O2(g) -42.70 -45.75 -3.06 O2 + O2(g) -16.24 -19.30 -3.06 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/pr_h2o_101.sel b/mytest/pr_h2o_101.sel index bb5dce90e..7983d7ef2 100644 --- a/mytest/pr_h2o_101.sel +++ b/mytest/pr_h2o_101.sel @@ -1,12 +1,12 @@ Mu SC - 0.001562126497 210.6759474322 - 5.210645933068 359077.3104776586 - 0.001562245143 292.7459002705 - 0.001562245704 292.8300222376 - 0.001562246267 292.9139005100 - 0.001562246832 292.9975342000 - 0.001562247396 293.0809224538 - 0.001562247957 293.1640644209 - 0.001562248533 293.2469593434 - 0.001562249103 293.3297063262 - 0.001562249674 293.4124081343 + 0.001562126497 210.6759473464 + 5.210645933089 359077.3033037914 + 0.001562245143 292.7458997381 + 0.001562245703 292.8300216947 + 0.001562246265 292.9138999819 + 0.001562246831 292.9975336630 + 0.001562247397 293.0809219107 + 0.001562247965 293.1640638912 + 0.001562248533 293.2469587986 + 0.001562249103 293.3297057809 + 0.001562249662 293.4124076021 diff --git a/mytest/precipitate_only.out b/mytest/precipitate_only.out index 2e34cc371..eb5245b72 100644 --- a/mytest/precipitate_only.out +++ b/mytest/precipitate_only.out @@ -252,10 +252,10 @@ Calcite -16.28 -24.76 -8.48 1.002e+01 1.002e+01 0.000e+00 pH = 0.153 Charge balance pe = 18.007 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 318980 + Specific Conductance (µS/cm, 25°C) = 318973 Density (g/cm³) = 1.01531 Volume (L) = 1.02084 - Viscosity (mPa s) = 0.94805 + Viscosity (mPa s) = 0.94806 Activity of water = 0.967 Ionic strength (mol/kgw) = 9.447e-01 Mass of water (kg) = 1.000e+00 diff --git a/mytest/precipitate_only_101.sel b/mytest/precipitate_only_101.sel index 0a8b947de..801891da8 100644 --- a/mytest/precipitate_only_101.sel +++ b/mytest/precipitate_only_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000000100661 0.0546997340 - 0.000385530171 36.1571925789 - 0.944667580114 318980.5209795424 + 0.000385530171 36.1571055701 + 0.944667580114 318973.4016694841 diff --git a/mytest/pressure_si.out b/mytest/pressure_si.out index 9df3bd6fc..7fa94e39c 100644 --- a/mytest/pressure_si.out +++ b/mytest/pressure_si.out @@ -150,7 +150,7 @@ Calcite -0.00 -8.72 -8.72 1.000e+01 1.000e+01 -2.033e-04 Specific Conductance (µS/cm, 75°C) = 148 Density (g/cm³) = 0.99600 Volume (L) = 1.00404 - Viscosity (mPa s) = 0.39113 + Viscosity (mPa s) = 0.39115 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.972e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/pressure_si_101.sel b/mytest/pressure_si_101.sel index d3385e906..ce1405e84 100644 --- a/mytest/pressure_si_101.sel +++ b/mytest/pressure_si_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.003238405506 484.2027787538 - 0.000697213524 148.5943404715 + 0.003238405506 484.2027617331 + 0.000697213524 148.5915204459 diff --git a/mytest/prob8.out b/mytest/prob8.out index 2b3a1bfe7..ac0e7f9bb 100644 --- a/mytest/prob8.out +++ b/mytest/prob8.out @@ -195,7 +195,7 @@ Sphalerite -0.00 -11.62 -11.62 1.000e+01 1.000e+01 3.121e-03 Specific Conductance (µS/cm, 25°C) = 4171 Density (g/cm³) = 0.99954 Volume (L) = 1.00402 - Viscosity (mPa s) = 0.90088 + Viscosity (mPa s) = 0.90193 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.753e-02 Mass of water (kg) = 1.000e+00 @@ -355,10 +355,10 @@ Sphalerite -0.00 -11.62 -11.62 1.000e+01 1.000e+01 3.208e-03 pH = 6.060 Charge balance pe = -1.346 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3740 + Specific Conductance (µS/cm, 25°C) = 3739 Density (g/cm³) = 0.99918 Volume (L) = 1.00434 - Viscosity (mPa s) = 0.90539 + Viscosity (mPa s) = 0.90818 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.890e-02 Mass of water (kg) = 1.000e+00 @@ -518,10 +518,10 @@ Sphalerite 0.00 -11.62 -11.62 1.000e+01 1.000e+01 3.224e-03 pH = 6.304 Charge balance pe = -2.742 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3400 + Specific Conductance (µS/cm, 25°C) = 3399 Density (g/cm³) = 0.99903 Volume (L) = 1.00467 - Viscosity (mPa s) = 0.90713 + Viscosity (mPa s) = 0.91288 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.256e-02 Mass of water (kg) = 1.000e+00 diff --git a/mytest/prob8_101.sel b/mytest/prob8_101.sel index 0c4182aa9..dd260009b 100644 --- a/mytest/prob8_101.sel +++ b/mytest/prob8_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.065753543788 4553.8254663103 - 0.057527812298 4171.5899811577 - 0.048895040023 3740.3192181913 - 0.042564150784 3400.3651011502 + 0.065753543788 4553.8254662800 + 0.057527812298 4171.3599775319 + 0.048895040023 3739.7792185894 + 0.042564150784 3399.4231689437 diff --git a/mytest/rate_parameters.out b/mytest/rate_parameters.out index 2c30ed6d0..07f0c0ea2 100644 --- a/mytest/rate_parameters.out +++ b/mytest/rate_parameters.out @@ -278,7 +278,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 7.116e-11 Na+ 7.116e-11 5.392e-11 -10.148 -10.268 -0.121 -0.13 - NaOH 3.805e-35 5.205e-35 -34.420 -34.284 0.136 (0) O(0) 2.159e-14 O2 1.080e-14 1.477e-14 -13.967 -13.831 0.136 30.40 Si 2.135e-10 @@ -398,7 +397,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 4.146e-11 Na+ 4.146e-11 2.989e-11 -10.382 -10.525 -0.142 -0.71 - NaOH 8.583e-35 9.433e-35 -34.066 -34.025 0.041 (0) O(0) 1.922e-14 O2 9.609e-15 1.056e-14 -14.017 -13.976 0.041 30.40 Si 1.244e-10 @@ -518,7 +516,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 2.448e-11 Na+ 2.448e-11 1.894e-11 -10.611 -10.723 -0.111 -1.05 - NaOH 1.856e-34 1.909e-34 -33.731 -33.719 0.012 (0) O(0) 1.823e-14 O2 9.115e-15 9.375e-15 -14.040 -14.028 0.012 30.40 Si 7.345e-11 @@ -638,7 +635,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 1.456e-11 Na+ 1.456e-11 1.226e-11 -10.837 -10.911 -0.075 -1.25 - NaOH 3.887e-34 3.920e-34 -33.410 -33.407 0.004 (0) O(0) 1.696e-14 O2 8.482e-15 8.553e-15 -14.072 -14.068 0.004 30.40 Si 4.368e-11 @@ -758,7 +754,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 8.714e-12 Na+ 8.714e-12 7.839e-12 -11.060 -11.106 -0.046 -1.37 - NaOH 7.911e-34 7.931e-34 -33.102 -33.101 0.001 (0) O(0) 2.946e-14 O2 1.473e-14 1.477e-14 -13.832 -13.831 0.001 30.40 Si 2.614e-11 @@ -878,7 +873,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 5.266e-12 Na+ 5.266e-12 4.947e-12 -11.279 -11.306 -0.027 -1.44 - NaOH 1.582e-33 1.583e-33 -32.801 -32.800 0.000 (0) O(0) 1.315e-14 O2 6.573e-15 6.578e-15 -14.182 -14.182 0.000 30.40 Si 1.580e-11 @@ -998,7 +992,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 3.233e-12 Na+ 3.233e-12 3.119e-12 -11.490 -11.506 -0.016 -1.48 - NaOH 3.156e-33 3.156e-33 -32.501 -32.501 0.000 (0) O(0) 3.002e-15 O2 1.501e-15 1.501e-15 -14.824 -14.824 0.000 30.40 Si 9.699e-12 @@ -1118,7 +1111,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 2.040e-12 Na+ 2.040e-12 1.999e-12 -11.690 -11.699 -0.009 -1.50 - NaOH 6.398e-33 6.398e-33 -32.194 -32.194 0.000 (0) O(0) 4.569e-14 O2 2.285e-14 2.285e-14 -13.641 -13.641 0.000 30.40 Si 6.121e-12 @@ -1238,7 +1230,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 1.352e-12 Na+ 1.352e-12 1.337e-12 -11.869 -11.874 -0.005 -1.51 - NaOH 1.353e-32 1.353e-32 -31.869 -31.869 0.000 (0) O(0) 1.659e-14 O2 8.295e-15 8.296e-15 -14.081 -14.081 0.000 30.40 Si 4.057e-12 @@ -1358,7 +1349,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 9.770e-13 Na+ 9.770e-13 9.706e-13 -12.010 -12.013 -0.003 -1.51 - NaOH 3.107e-32 3.107e-32 -31.508 -31.508 0.000 (0) O(0) 3.092e-14 O2 1.546e-14 1.546e-14 -13.811 -13.811 0.000 30.40 Si 2.931e-12 @@ -1478,7 +1468,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 8.163e-13 Na+ 8.163e-13 8.133e-13 -12.088 -12.090 -0.002 -1.52 - NaOH 8.232e-32 8.232e-32 -31.085 -31.085 0.000 (0) O(0) 3.601e-14 O2 1.801e-14 1.801e-14 -13.745 -13.745 0.000 30.40 Si 2.449e-12 @@ -1598,7 +1587,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 8.391e-13 Na+ 8.391e-13 8.373e-13 -12.076 -12.077 -0.001 -1.52 - NaOH 2.680e-31 2.680e-31 -30.572 -30.572 0.000 (0) O(0) 1.008e-13 O2 5.041e-14 5.041e-14 -13.298 -13.298 0.000 30.40 Si 2.517e-12 @@ -1718,7 +1706,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 1.080e-12 Na+ 1.080e-12 1.079e-12 -11.967 -11.967 -0.001 -1.52 - NaOH 1.092e-30 1.092e-30 -29.962 -29.962 0.000 (0) O(0) 2.809e-14 O2 1.404e-14 1.404e-14 -13.853 -13.853 0.000 30.40 Si 3.240e-12 @@ -1838,7 +1825,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 1.662e-12 Na+ 1.662e-12 1.661e-12 -11.779 -11.780 -0.000 -1.52 - NaOH 5.315e-30 5.315e-30 -29.274 -29.274 0.000 (0) O(0) 2.997e-14 O2 1.499e-14 1.499e-14 -13.824 -13.824 0.000 30.40 Si 4.985e-12 @@ -1958,7 +1944,6 @@ Li 9.977e-11 Li+ 9.977e-11 9.974e-11 -10.001 -10.001 -0.000 -1.44 Na 2.854e-12 Na+ 2.854e-12 2.853e-12 -11.544 -11.545 -0.000 -1.52 - NaOH 2.888e-29 2.888e-29 -28.539 -28.539 0.000 (0) O(0) 1.298e-12 O2 6.491e-13 6.491e-13 -12.188 -12.188 0.000 30.40 Si 8.563e-12 @@ -2078,7 +2063,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 5.199e-12 Na+ 5.199e-12 5.196e-12 -11.284 -11.284 -0.000 -1.52 - NaOH 1.663e-28 1.663e-28 -27.779 -27.779 0.000 (0) O(0) 2.283e-14 O2 1.142e-14 1.142e-14 -13.943 -13.943 0.000 30.40 Si 1.560e-11 @@ -2198,7 +2182,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 9.753e-12 Na+ 9.753e-12 9.742e-12 -11.011 -11.011 -0.001 -1.52 - NaOH 9.860e-28 9.860e-28 -27.006 -27.006 0.000 (0) O(0) 1.468e-15 O2 7.342e-16 7.342e-16 -15.134 -15.134 0.000 30.40 Si 2.926e-11 @@ -2318,7 +2301,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 1.857e-11 Na+ 1.857e-11 1.853e-11 -10.731 -10.732 -0.001 -1.52 - NaOH 5.930e-27 5.930e-27 -26.227 -26.227 0.000 (0) O(0) 1.789e-14 O2 8.945e-15 8.945e-15 -14.048 -14.048 0.000 30.40 Si 5.570e-11 @@ -2438,7 +2420,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 3.560e-11 Na+ 3.560e-11 3.547e-11 -10.449 -10.450 -0.002 -1.52 - NaOH 3.590e-26 3.590e-26 -25.445 -25.445 0.000 (0) O(0) 4.776e-14 O2 2.388e-14 2.388e-14 -13.622 -13.622 0.000 30.40 Si 1.068e-10 @@ -2558,7 +2539,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 6.851e-11 Na+ 6.851e-11 6.806e-11 -10.164 -10.167 -0.003 -1.51 - NaOH 2.178e-25 2.178e-25 -24.662 -24.662 0.000 (0) O(0) 4.650e-15 O2 2.325e-15 2.325e-15 -14.634 -14.634 0.000 30.40 Si 2.055e-10 @@ -2678,7 +2658,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 1.321e-10 Na+ 1.321e-10 1.306e-10 -9.879 -9.884 -0.005 -1.51 - NaOH 1.321e-24 1.322e-24 -23.879 -23.879 0.000 (0) O(0) 2.029e-15 O2 1.015e-15 1.015e-15 -14.994 -14.994 0.000 30.40 Si 3.963e-10 @@ -2798,7 +2777,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 2.550e-10 Na+ 2.550e-10 2.497e-10 -9.594 -9.603 -0.009 -1.50 - NaOH 7.993e-24 7.994e-24 -23.097 -23.097 0.000 (0) O(0) 7.121e-15 O2 3.561e-15 3.561e-15 -14.448 -14.448 0.000 30.40 Si 7.649e-10 @@ -2918,7 +2896,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 4.923e-10 Na+ 4.923e-10 4.748e-10 -9.308 -9.324 -0.016 -1.48 - NaOH 4.804e-23 4.805e-23 -22.318 -22.318 0.000 (0) O(0) 6.192e-15 O2 3.096e-15 3.097e-15 -14.509 -14.509 0.000 30.40 Si 1.477e-09 @@ -3004,7 +2981,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -3038,7 +3015,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 9.509e-10 Na+ 9.509e-10 8.928e-10 -9.022 -9.049 -0.027 -1.44 - NaOH 2.855e-22 2.857e-22 -21.544 -21.544 0.000 (0) O(0) 1.813e-15 O2 9.067e-16 9.075e-16 -15.043 -15.042 0.000 30.40 Si 2.853e-09 @@ -3124,7 +3100,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -3158,7 +3134,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 1.837e-09 Na+ 1.837e-09 1.650e-09 -8.736 -8.782 -0.047 -1.37 - NaOH 1.665e-21 1.670e-21 -20.779 -20.777 0.001 (0) O(0) 2.401e-14 O2 1.200e-14 1.204e-14 -13.921 -13.920 0.001 30.40 Si 5.510e-09 @@ -3244,7 +3219,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -3278,7 +3253,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 3.548e-09 Na+ 3.548e-09 2.978e-09 -8.450 -8.526 -0.076 -1.25 - NaOH 9.434e-21 9.519e-21 -20.025 -20.021 0.004 (0) O(0) 1.182e-14 O2 5.912e-15 5.965e-15 -14.228 -14.224 0.004 30.40 Si 1.065e-08 @@ -3361,10 +3335,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 5.245 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -3398,7 +3372,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 6.855e-09 Na+ 6.855e-09 5.262e-09 -8.164 -8.279 -0.115 -1.03 - NaOH 5.137e-20 5.301e-20 -19.289 -19.276 0.014 (0) O(0) 1.520e-13 O2 7.601e-14 7.844e-14 -13.119 -13.105 0.014 30.40 Si 2.057e-08 @@ -3481,10 +3454,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.389 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -3518,7 +3491,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 1.324e-08 Na+ 1.324e-08 9.504e-09 -7.878 -8.022 -0.144 -0.63 - NaOH 2.667e-19 2.990e-19 -18.574 -18.524 0.050 (0) O(0) 5.181e-15 O2 2.590e-15 2.904e-15 -14.587 -14.537 0.050 30.40 Si 3.973e-08 @@ -3601,10 +3573,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 3.890 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -3638,7 +3610,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 2.559e-08 Na+ 2.559e-08 2.037e-08 -7.592 -7.691 -0.099 0.05 - NaOH 1.291e-18 1.938e-18 -17.889 -17.713 0.176 (0) O(0) 3.572e-15 O2 1.786e-15 2.681e-15 -14.748 -14.572 0.176 30.40 Si 7.676e-08 @@ -3777,7 +3748,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 1.253e-11 Na+ 1.253e-11 9.497e-12 -10.902 -11.022 -0.121 -0.13 - NaOH 6.702e-36 9.168e-36 -35.174 -35.038 0.136 (0) O(0) 1.205e-14 O2 6.026e-15 8.243e-15 -14.220 -14.084 0.136 30.40 Si 3.760e-11 @@ -3897,7 +3867,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 6.954e-12 Na+ 6.954e-12 5.013e-12 -11.158 -11.300 -0.142 -0.71 - NaOH 1.440e-35 1.582e-35 -34.842 -34.801 0.041 (0) O(0) 4.266e-14 O2 2.133e-14 2.344e-14 -13.671 -13.630 0.041 30.40 Si 2.086e-11 @@ -4017,7 +3986,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 3.913e-12 Na+ 3.913e-12 3.027e-12 -11.407 -11.519 -0.111 -1.05 - NaOH 2.967e-35 3.051e-35 -34.528 -34.515 0.012 (0) O(0) 1.567e-14 O2 7.833e-15 8.057e-15 -14.106 -14.094 0.012 30.40 Si 1.174e-11 @@ -4137,7 +4105,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 2.220e-12 Na+ 2.220e-12 1.869e-12 -11.654 -11.728 -0.075 -1.25 - NaOH 5.926e-35 5.976e-35 -34.227 -34.224 0.004 (0) O(0) 2.127e-14 O2 1.064e-14 1.073e-14 -13.973 -13.970 0.004 30.40 Si 6.659e-12 @@ -4257,7 +4224,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 1.270e-12 Na+ 1.270e-12 1.143e-12 -11.896 -11.942 -0.046 -1.37 - NaOH 1.153e-34 1.156e-34 -33.938 -33.937 0.001 (0) O(0) 1.704e-14 O2 8.521e-15 8.542e-15 -14.070 -14.068 0.001 30.40 Si 3.811e-12 @@ -4377,7 +4343,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 7.372e-13 Na+ 7.372e-13 6.926e-13 -12.132 -12.160 -0.027 -1.44 - NaOH 2.215e-34 2.217e-34 -33.655 -33.654 0.000 (0) O(0) 1.330e-14 O2 6.651e-15 6.656e-15 -14.177 -14.177 0.000 30.40 Si 2.212e-12 @@ -4497,7 +4462,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 4.376e-13 Na+ 4.376e-13 4.221e-13 -12.359 -12.375 -0.016 -1.48 - NaOH 4.272e-34 4.273e-34 -33.369 -33.369 0.000 (0) O(0) 5.632e-15 O2 2.816e-15 2.817e-15 -14.550 -14.550 0.000 30.40 Si 1.313e-12 @@ -4617,7 +4581,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 2.694e-13 Na+ 2.694e-13 2.639e-13 -12.570 -12.579 -0.009 -1.50 - NaOH 8.446e-34 8.446e-34 -33.073 -33.073 0.000 (0) O(0) 6.034e-14 O2 3.017e-14 3.017e-14 -13.520 -13.520 0.000 30.40 Si 8.081e-13 @@ -4737,7 +4700,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 1.750e-13 Na+ 1.750e-13 1.730e-13 -12.757 -12.762 -0.005 -1.51 - NaOH 1.751e-33 1.751e-33 -32.757 -32.757 0.000 (0) O(0) 4.675e-15 O2 2.338e-15 2.338e-15 -14.631 -14.631 0.000 30.40 Si 5.251e-13 @@ -4857,7 +4819,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 1.224e-13 Na+ 1.224e-13 1.216e-13 -12.912 -12.915 -0.003 -1.51 - NaOH 3.893e-33 3.893e-33 -32.410 -32.410 0.000 (0) O(0) 5.570e-14 O2 2.785e-14 2.785e-14 -13.555 -13.555 0.000 30.40 Si 3.673e-13 @@ -4977,7 +4938,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 9.346e-14 Na+ 9.346e-14 9.311e-14 -13.029 -13.031 -0.002 -1.52 - NaOH 9.424e-33 9.424e-33 -32.026 -32.026 0.000 (0) O(0) 1.899e-14 O2 9.495e-15 9.495e-15 -14.023 -14.023 0.000 30.40 Si 2.804e-13 @@ -5097,7 +5057,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 7.801e-14 Na+ 7.801e-14 7.785e-14 -13.108 -13.109 -0.001 -1.52 - NaOH 2.492e-32 2.492e-32 -31.603 -31.603 0.000 (0) O(0) 7.816e-14 O2 3.908e-14 3.908e-14 -13.408 -13.408 0.000 30.40 Si 2.340e-13 @@ -5217,7 +5176,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 7.053e-14 Na+ 7.053e-14 7.045e-14 -13.152 -13.152 -0.001 -1.52 - NaOH 7.131e-32 7.131e-32 -31.147 -31.147 0.000 (0) O(0) 4.251e-15 O2 2.126e-15 2.126e-15 -14.673 -14.673 0.000 30.40 Si 2.116e-13 @@ -5337,7 +5295,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 6.803e-14 Na+ 6.803e-14 6.799e-14 -13.167 -13.168 -0.000 -1.52 - NaOH 2.176e-31 2.176e-31 -30.662 -30.662 0.000 (0) O(0) 4.807e-14 O2 2.403e-14 2.403e-14 -13.619 -13.619 0.000 30.40 Si 2.041e-13 @@ -5457,7 +5414,6 @@ Li 9.993e-11 Li+ 9.993e-11 9.989e-11 -10.000 -10.000 -0.000 -1.44 Na 6.903e-14 Na+ 6.903e-14 6.900e-14 -13.161 -13.161 -0.000 -1.52 - NaOH 6.984e-31 6.984e-31 -30.156 -30.156 0.000 (0) O(0) 1.313e-12 O2 6.564e-13 6.564e-13 -12.183 -12.183 0.000 30.40 Si 2.071e-13 @@ -5577,7 +5533,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 7.299e-14 Na+ 7.299e-14 7.294e-14 -13.137 -13.137 -0.000 -1.52 - NaOH 2.335e-30 2.335e-30 -29.632 -29.632 0.000 (0) O(0) 3.023e-14 O2 1.512e-14 1.512e-14 -13.821 -13.821 0.000 30.40 Si 2.190e-13 @@ -5697,7 +5652,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 8.001e-14 Na+ 8.001e-14 7.992e-14 -13.097 -13.097 -0.001 -1.52 - NaOH 8.089e-30 8.089e-30 -29.092 -29.092 0.000 (0) O(0) 2.536e-18 O2 1.268e-18 1.268e-18 -17.897 -17.897 0.000 30.40 Si 2.400e-13 @@ -5817,7 +5771,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 9.074e-14 Na+ 9.074e-14 9.055e-14 -13.042 -13.043 -0.001 -1.52 - NaOH 2.898e-29 2.898e-29 -28.538 -28.538 0.000 (0) O(0) 1.751e-15 O2 8.757e-16 8.757e-16 -15.058 -15.058 0.000 30.40 Si 2.722e-13 @@ -5937,7 +5890,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 1.063e-13 Na+ 1.063e-13 1.060e-13 -12.973 -12.975 -0.002 -1.52 - NaOH 1.072e-28 1.072e-28 -27.970 -27.970 0.000 (0) O(0) 7.189e-14 O2 3.595e-14 3.595e-14 -13.444 -13.444 0.000 30.40 Si 3.190e-13 @@ -6057,7 +6009,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 1.287e-13 Na+ 1.287e-13 1.278e-13 -12.891 -12.893 -0.003 -1.51 - NaOH 4.091e-28 4.091e-28 -27.388 -27.388 0.000 (0) O(0) 3.495e-14 O2 1.748e-14 1.748e-14 -13.758 -13.758 0.000 30.40 Si 3.860e-13 @@ -6177,7 +6128,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 1.603e-13 Na+ 1.603e-13 1.584e-13 -12.795 -12.800 -0.005 -1.51 - NaOH 1.604e-27 1.604e-27 -26.795 -26.795 0.000 (0) O(0) 3.056e-16 O2 1.528e-16 1.528e-16 -15.816 -15.816 0.000 30.40 Si 4.809e-13 @@ -6297,7 +6247,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 2.051e-13 Na+ 2.051e-13 2.009e-13 -12.688 -12.697 -0.009 -1.50 - NaOH 6.429e-27 6.430e-27 -26.192 -26.192 0.000 (0) O(0) 4.232e-14 O2 2.116e-14 2.116e-14 -13.674 -13.674 0.000 30.40 Si 6.152e-13 @@ -6417,7 +6366,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 2.684e-13 Na+ 2.684e-13 2.588e-13 -12.571 -12.587 -0.016 -1.48 - NaOH 2.619e-26 2.620e-26 -25.582 -25.582 0.000 (0) O(0) 4.015e-16 O2 2.007e-16 2.008e-16 -15.697 -15.697 0.000 30.40 Si 8.051e-13 @@ -6503,7 +6451,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -6537,7 +6485,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 3.578e-13 Na+ 3.578e-13 3.360e-13 -12.446 -12.474 -0.027 -1.44 - NaOH 1.074e-25 1.075e-25 -24.969 -24.969 0.000 (0) O(0) 4.028e-14 O2 2.014e-14 2.016e-14 -13.696 -13.696 0.000 30.40 Si 1.073e-12 @@ -6623,7 +6570,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -6657,7 +6604,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 4.841e-13 Na+ 4.841e-13 4.349e-13 -12.315 -12.362 -0.047 -1.37 - NaOH 4.389e-25 4.400e-25 -24.358 -24.357 0.001 (0) O(0) 2.994e-14 O2 1.497e-14 1.501e-14 -13.825 -13.824 0.001 30.40 Si 1.452e-12 @@ -6743,7 +6689,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -6777,7 +6723,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 6.624e-13 Na+ 6.624e-13 5.559e-13 -12.179 -12.255 -0.076 -1.25 - NaOH 1.761e-24 1.777e-24 -23.754 -23.750 0.004 (0) O(0) 1.153e-14 O2 5.767e-15 5.818e-15 -14.239 -14.235 0.004 30.40 Si 1.987e-12 @@ -6860,10 +6805,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 4.528 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -6897,7 +6842,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 9.136e-13 Na+ 9.136e-13 7.013e-13 -12.039 -12.154 -0.115 -1.03 - NaOH 6.846e-24 7.065e-24 -23.165 -23.151 0.014 (0) O(0) 2.062e-16 O2 1.031e-16 1.064e-16 -15.987 -15.973 0.014 30.40 Si 2.741e-12 @@ -6980,10 +6924,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.447 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -7017,7 +6961,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 1.265e-12 Na+ 1.265e-12 9.075e-13 -11.898 -12.042 -0.144 -0.63 - NaOH 2.547e-23 2.856e-23 -22.594 -22.544 0.050 (0) O(0) 8.765e-15 O2 4.382e-15 4.914e-15 -14.358 -14.309 0.050 30.40 Si 3.794e-12 @@ -7100,10 +7043,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.133 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -7137,7 +7080,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 1.742e-12 Na+ 1.742e-12 1.387e-12 -11.759 -11.858 -0.099 0.05 - NaOH 8.792e-23 1.320e-22 -22.056 -21.880 0.176 (0) O(0) 3.341e-14 O2 1.670e-14 2.507e-14 -13.777 -13.601 0.176 30.40 Si 5.227e-12 @@ -7276,7 +7218,6 @@ Li 2.106e-20 Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 Na 5.606e-11 Na+ 5.606e-11 4.248e-11 -10.251 -10.372 -0.121 -0.13 - NaOH 2.998e-35 4.100e-35 -34.523 -34.387 0.136 (0) O(0) 7.650e-15 O2 3.825e-15 5.232e-15 -14.417 -14.281 0.136 30.40 Si 1.682e-10 @@ -7396,7 +7337,6 @@ Li 5.392e-20 Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 Na 4.094e-11 Na+ 4.094e-11 2.952e-11 -10.388 -10.530 -0.142 -0.71 - NaOH 8.476e-35 9.315e-35 -34.072 -34.031 0.041 (0) O(0) 1.559e-14 O2 7.797e-15 8.569e-15 -14.108 -14.067 0.041 30.40 Si 1.228e-10 @@ -7516,7 +7456,6 @@ Li 1.414e-19 Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 Na 3.075e-11 Na+ 3.075e-11 2.379e-11 -10.512 -10.624 -0.111 -1.05 - NaOH 2.332e-34 2.398e-34 -33.632 -33.620 0.012 (0) O(0) 2.024e-14 O2 1.012e-14 1.041e-14 -13.995 -13.983 0.012 30.40 Si 9.226e-11 @@ -7636,7 +7575,6 @@ Li 3.895e-19 Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 Na 2.366e-11 Na+ 2.366e-11 1.993e-11 -10.626 -10.701 -0.075 -1.25 - NaOH 6.317e-34 6.370e-34 -33.199 -33.196 0.004 (0) O(0) 1.520e-14 O2 7.601e-15 7.665e-15 -14.119 -14.115 0.004 30.40 Si 7.099e-11 @@ -7756,7 +7694,6 @@ Li 1.127e-18 Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 Na 1.868e-11 Na+ 1.868e-11 1.681e-11 -10.729 -10.775 -0.046 -1.37 - NaOH 1.696e-33 1.700e-33 -32.771 -32.769 0.001 (0) O(0) 7.077e-14 O2 3.538e-14 3.547e-14 -13.451 -13.450 0.001 30.40 Si 5.605e-11 @@ -7876,7 +7813,6 @@ Li 3.382e-18 Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 Na 1.518e-11 Na+ 1.518e-11 1.426e-11 -10.819 -10.846 -0.027 -1.44 - NaOH 4.561e-33 4.565e-33 -32.341 -32.341 0.000 (0) O(0) 4.001e-14 O2 2.001e-14 2.002e-14 -13.699 -13.698 0.000 30.40 Si 4.555e-11 @@ -7996,7 +7932,6 @@ Li 1.038e-17 Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 Na 1.274e-11 Na+ 1.274e-11 1.229e-11 -10.895 -10.911 -0.016 -1.48 - NaOH 1.243e-32 1.244e-32 -31.905 -31.905 0.000 (0) O(0) 3.152e-15 O2 1.576e-15 1.576e-15 -14.802 -14.802 0.000 30.40 Si 3.821e-11 @@ -8116,7 +8051,6 @@ Li 3.230e-17 Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 Na 1.105e-11 Na+ 1.105e-11 1.082e-11 -10.957 -10.966 -0.009 -1.50 - NaOH 3.464e-32 3.465e-32 -31.460 -31.460 0.000 (0) O(0) 4.754e-14 O2 2.377e-14 2.377e-14 -13.624 -13.624 0.000 30.40 Si 3.315e-11 @@ -8236,7 +8170,6 @@ Li 1.012e-16 Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 Na 9.914e-12 Na+ 9.914e-12 9.800e-12 -11.004 -11.009 -0.005 -1.51 - NaOH 9.919e-32 9.919e-32 -31.004 -31.004 0.000 (0) O(0) 1.927e-14 O2 9.636e-15 9.636e-15 -14.016 -14.016 0.000 30.40 Si 2.974e-11 @@ -8356,7 +8289,6 @@ Li 3.183e-16 Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 Na 9.196e-12 Na+ 9.196e-12 9.136e-12 -11.036 -11.039 -0.003 -1.51 - NaOH 2.924e-31 2.924e-31 -30.534 -30.534 0.000 (0) O(0) 5.213e-14 O2 2.607e-14 2.607e-14 -13.584 -13.584 0.000 30.40 Si 2.759e-11 @@ -8476,7 +8408,6 @@ Li 1.004e-15 Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 Na 8.807e-12 Na+ 8.807e-12 8.775e-12 -11.055 -11.057 -0.002 -1.52 - NaOH 8.881e-31 8.881e-31 -30.052 -30.052 0.000 (0) O(0) 1.798e-14 O2 8.991e-15 8.991e-15 -14.046 -14.046 0.000 30.40 Si 2.642e-11 @@ -8596,7 +8527,6 @@ Li 3.171e-15 Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 Na 8.702e-12 Na+ 8.702e-12 8.684e-12 -11.060 -11.061 -0.001 -1.52 - NaOH 2.779e-30 2.779e-30 -29.556 -29.556 0.000 (0) O(0) 2.654e-14 O2 1.327e-14 1.327e-14 -13.877 -13.877 0.000 30.40 Si 2.611e-11 @@ -8716,7 +8646,6 @@ Li 1.010e-14 Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 Na 8.867e-12 Na+ 8.867e-12 8.856e-12 -11.052 -11.053 -0.001 -1.52 - NaOH 8.964e-30 8.964e-30 -29.048 -29.048 0.000 (0) O(0) 2.246e-14 O2 1.123e-14 1.123e-14 -13.950 -13.950 0.000 30.40 Si 2.660e-11 @@ -8836,7 +8765,6 @@ Li 3.506e-14 Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 Na 9.322e-12 Na+ 9.322e-12 9.316e-12 -11.031 -11.031 -0.000 -1.52 - NaOH 2.982e-29 2.982e-29 -28.526 -28.526 0.000 (0) O(0) 8.261e-15 O2 4.131e-15 4.131e-15 -14.384 -14.384 0.000 30.40 Si 2.797e-11 @@ -8956,7 +8884,6 @@ Li 9.937e-11 Li+ 9.937e-11 9.933e-11 -10.003 -10.003 -0.000 -1.44 Na 1.012e-11 Na+ 1.012e-11 1.012e-11 -10.995 -10.995 -0.000 -1.52 - NaOH 1.024e-28 1.024e-28 -27.990 -27.990 0.000 (0) O(0) 1.309e-12 O2 6.546e-13 6.546e-13 -12.184 -12.184 0.000 30.40 Si 3.037e-11 @@ -9076,7 +9003,6 @@ Li 2.874e-07 Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 Na 1.136e-11 Na+ 1.136e-11 1.136e-11 -10.944 -10.945 -0.000 -1.52 - NaOH 3.635e-28 3.635e-28 -27.440 -27.440 0.000 (0) O(0) 4.921e-14 O2 2.461e-14 2.461e-14 -13.609 -13.609 0.000 30.40 Si 3.409e-11 @@ -9196,7 +9122,6 @@ Li 1.002e-06 Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 Na 1.320e-11 Na+ 1.320e-11 1.318e-11 -10.880 -10.880 -0.001 -1.52 - NaOH 1.334e-27 1.334e-27 -26.875 -26.875 0.000 (0) O(0) 5.904e-15 O2 2.952e-15 2.952e-15 -14.530 -14.530 0.000 30.40 Si 3.959e-11 @@ -9316,7 +9241,6 @@ Li 3.203e-06 Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 Na 1.584e-11 Na+ 1.584e-11 1.581e-11 -10.800 -10.801 -0.001 -1.52 - NaOH 5.059e-27 5.059e-27 -26.296 -26.296 0.000 (0) O(0) 1.044e-15 O2 5.219e-16 5.219e-16 -15.282 -15.282 0.000 30.40 Si 4.752e-11 @@ -9436,7 +9360,6 @@ Li 1.016e-05 Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 Na 1.962e-11 Na+ 1.962e-11 1.954e-11 -10.707 -10.709 -0.002 -1.52 - NaOH 1.978e-26 1.978e-26 -25.704 -25.704 0.000 (0) O(0) 5.096e-14 O2 2.548e-14 2.548e-14 -13.594 -13.594 0.000 30.40 Si 5.885e-11 @@ -9556,7 +9479,6 @@ Li 3.222e-05 Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 Na 2.498e-11 Na+ 2.498e-11 2.481e-11 -10.602 -10.605 -0.003 -1.51 - NaOH 7.941e-26 7.941e-26 -25.100 -25.100 0.000 (0) O(0) 2.789e-14 O2 1.394e-14 1.394e-14 -13.856 -13.856 0.000 30.40 Si 7.493e-11 @@ -9676,7 +9598,6 @@ Li 1.024e-04 Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 Na 3.257e-11 Na+ 3.257e-11 3.219e-11 -10.487 -10.492 -0.005 -1.51 - NaOH 3.258e-25 3.258e-25 -24.487 -24.487 0.000 (0) O(0) 5.348e-15 O2 2.674e-15 2.674e-15 -14.573 -14.573 0.000 30.40 Si 9.770e-11 @@ -9796,7 +9717,6 @@ Li 3.268e-04 Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 Na 4.330e-11 Na+ 4.330e-11 4.242e-11 -10.363 -10.372 -0.009 -1.50 - NaOH 1.358e-24 1.358e-24 -23.867 -23.867 0.000 (0) O(0) 1.392e-13 O2 6.962e-14 6.962e-14 -13.157 -13.157 0.000 30.40 Si 1.299e-10 @@ -9916,7 +9836,6 @@ Li 1.050e-03 Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 Na 5.848e-11 Na+ 5.848e-11 5.640e-11 -10.233 -10.249 -0.016 -1.48 - NaOH 5.707e-24 5.708e-24 -23.244 -23.244 0.000 (0) O(0) 2.572e-15 O2 1.286e-15 1.287e-15 -14.891 -14.891 0.000 30.40 Si 1.754e-10 @@ -10002,7 +9921,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 781 Density (g/cm³) = 0.99714 Volume (L) = 1.00295 - Viscosity (mPa s) = 0.89117 + Viscosity (mPa s) = 0.89118 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.413e-03 Mass of water (kg) = 1.000e+00 @@ -10036,7 +9955,6 @@ Li 3.413e-03 Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 Na 7.992e-11 Na+ 7.992e-11 7.505e-11 -10.097 -10.125 -0.027 -1.44 - NaOH 2.400e-23 2.402e-23 -22.620 -22.619 0.000 (0) O(0) 4.887e-14 O2 2.443e-14 2.445e-14 -13.612 -13.612 0.000 30.40 Si 2.398e-10 @@ -10122,7 +10040,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 Specific Conductance (µS/cm, 25°C) = 2533 Density (g/cm³) = 0.99737 Volume (L) = 1.00291 - Viscosity (mPa s) = 0.89351 + Viscosity (mPa s) = 0.89356 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.131e-02 Mass of water (kg) = 1.000e+00 @@ -10156,7 +10074,6 @@ Li 1.131e-02 Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 Na 1.102e-10 Na+ 1.102e-10 9.902e-11 -9.958 -10.004 -0.047 -1.37 - NaOH 9.992e-23 1.002e-22 -22.000 -21.999 0.001 (0) O(0) 1.588e-14 O2 7.942e-15 7.963e-15 -14.100 -14.099 0.001 30.40 Si 3.307e-10 @@ -10242,7 +10159,7 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 Specific Conductance (µS/cm, 25°C) = 8327 Density (g/cm³) = 0.99816 Volume (L) = 1.00277 - Viscosity (mPa s) = 0.90143 + Viscosity (mPa s) = 0.90156 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.858e-02 Mass of water (kg) = 1.000e+00 @@ -10276,7 +10193,6 @@ Li 3.858e-02 Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 Na 1.530e-10 Na+ 1.530e-10 1.284e-10 -9.815 -9.891 -0.076 -1.25 - NaOH 4.068e-22 4.105e-22 -21.391 -21.387 0.004 (0) O(0) 4.982e-15 O2 2.491e-15 2.513e-15 -14.604 -14.600 0.004 30.40 Si 4.590e-10 @@ -10359,10 +10275,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 pH = 13.000 Charge balance pe = 4.314 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 27658 + Specific Conductance (µS/cm, 25°C) = 27656 Density (g/cm³) = 1.00095 Volume (L) = 1.00232 - Viscosity (mPa s) = 0.93007 + Viscosity (mPa s) = 0.93033 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.366e-01 Mass of water (kg) = 1.000e+00 @@ -10396,7 +10312,6 @@ Li 1.366e-01 Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 Na 2.135e-10 Na+ 2.135e-10 1.639e-10 -9.671 -9.786 -0.115 -1.03 - NaOH 1.600e-21 1.651e-21 -20.796 -20.782 0.014 (0) O(0) 2.871e-17 O2 1.436e-17 1.481e-17 -16.843 -16.829 0.014 30.40 Si 6.404e-10 @@ -10479,10 +10394,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 pH = 13.500 Charge balance pe = 4.418 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 90406 + Specific Conductance (µS/cm, 25°C) = 90420 Density (g/cm³) = 1.01078 Volume (L) = 1.00111 - Viscosity (mPa s) = 1.04104 + Viscosity (mPa s) = 1.04021 Activity of water = 0.983 Ionic strength (mol/kgw) = 4.971e-01 Mass of water (kg) = 1.000e+00 @@ -10516,7 +10431,6 @@ Li 4.971e-01 Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 Na 2.989e-10 Na+ 2.989e-10 2.145e-10 -9.525 -9.669 -0.144 -0.63 - NaOH 6.018e-21 6.748e-21 -20.221 -20.171 0.050 (0) O(0) 6.711e-15 O2 3.355e-15 3.762e-15 -14.474 -14.425 0.050 30.40 Si 8.966e-10 @@ -10599,10 +10513,10 @@ LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 pH = 14.000 Charge balance pe = 4.099 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 270844 + Specific Conductance (µS/cm, 25°C) = 271308 Density (g/cm³) = 1.04153 Volume (L) = 1.00068 - Viscosity (mPa s) = 1.49903 + Viscosity (mPa s) = 1.47977 Activity of water = 0.940 Ionic strength (mol/kgw) = 1.764e+00 Mass of water (kg) = 1.000e+00 @@ -10636,7 +10550,6 @@ Li 1.764e+00 Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 Na 4.195e-10 Na+ 4.195e-10 3.340e-10 -9.377 -9.476 -0.099 0.05 - NaOH 2.117e-20 3.178e-20 -19.674 -19.498 0.176 (0) O(0) 2.448e-14 O2 1.224e-14 1.837e-14 -13.912 -13.736 0.176 30.40 Si 1.258e-09 diff --git a/mytest/rate_parameters_101.sel b/mytest/rate_parameters_101.sel index 71a029042..84d17d58c 100644 --- a/mytest/rate_parameters_101.sel +++ b/mytest/rate_parameters_101.sel @@ -10,25 +10,25 @@ 0.000322626370 136.4966601356 0.000101154249 42.9033454158 0.000031830147 13.5205746083 - 0.000010037541 4.2674103688 - 0.000003169472 1.3483949576 - 0.000001001783 0.4272829981 - 0.000000317047 0.1385586959 - 0.000000100748 0.0547033128 - 0.000000319682 0.0850534027 - 0.000001012756 0.2412979481 - 0.000003206863 0.7547499230 - 0.000010158839 2.3863150296 - 0.000032219429 7.5581577958 - 0.000102411316 23.9721762030 - 0.000326795636 76.2045711623 - 0.001049944112 243.1824789679 - 0.003412861642 781.0304923288 - 0.011308631154 2533.5484599967 - 0.038583778883 8327.9883698462 - 0.136622804433 27658.3318551357 - 0.497107455063 90406.0366064174 - 1.763786308027 270844.3653770648 + 0.000010037541 4.2674103689 + 0.000003169472 1.3483949577 + 0.000001001783 0.4272829982 + 0.000000317047 0.1385586960 + 0.000000100748 0.0547033129 + 0.000000319682 0.0850534026 + 0.000001012756 0.2412979477 + 0.000003206863 0.7547499196 + 0.000010158839 2.3863149952 + 0.000032219429 7.5581574521 + 0.000102411316 23.9721727650 + 0.000326795636 76.2045367810 + 0.001049944112 243.1821355901 + 0.003412861642 781.0270809968 + 0.011308631154 2533.5152451767 + 0.038583778883 8327.6895101652 + 0.136622804433 27656.5146667779 + 0.497107455063 90420.8287067054 + 1.763786308027 271308.1208578640 1.360612168532 475717.8608065663 0.410098469224 159070.2105085291 0.122379599138 49318.4766001133 @@ -41,23 +41,23 @@ 0.000031830142 13.5205748324 0.000010037538 4.2674103764 0.000003169470 1.3483948304 - 0.000001001781 0.4272828178 + 0.000001001781 0.4272828179 0.000000317045 0.1385585019 - 0.000000100746 0.0547030689 + 0.000000100746 0.0547030690 0.000000319677 0.0850529549 - 0.000001012746 0.2412970802 - 0.000003206842 0.7547481953 - 0.000010158790 2.3863113605 - 0.000032219294 7.5581492094 - 0.000102410944 23.9721553111 - 0.000326794738 76.2045238345 - 0.001049942179 243.1823801423 - 0.003412857634 781.0302928475 - 0.011308622482 2533.5480536012 - 0.038583757519 8327.9874963815 - 0.136622746703 27658.3299671486 - 0.497107317999 90406.0337093087 - 1.763786035172 270844.3649748482 + 0.000001012746 0.2412970798 + 0.000003206842 0.7547481919 + 0.000010158790 2.3863113262 + 0.000032219294 7.5581488657 + 0.000102410944 23.9721518731 + 0.000326794738 76.2044894535 + 0.001049942179 243.1820367664 + 0.003412857634 781.0268815274 + 0.011308622482 2533.5148388645 + 0.038583757519 8327.6886372249 + 0.136622746703 27656.5127815078 + 0.497107317999 90420.8258097291 + 1.763786035172 271308.1203881076 1.360612168860 475717.8607703280 0.410098469481 159070.2104850028 0.122379599340 49318.4765847635 @@ -69,42 +69,42 @@ 0.000101154306 42.9033420365 0.000031830197 13.5205724531 0.000010037578 4.2674102857 - 0.000003169495 1.3483962723 + 0.000003169495 1.3483962724 0.000001001798 0.4272843888 0.000000317057 0.1385596286 - 0.000000100755 0.0547039493 - 0.000000319688 0.0850539412 - 0.000001012759 0.2412982570 - 0.000003206860 0.7547496682 - 0.000010158817 2.3863133773 - 0.000032219343 7.5581523292 - 0.000102411036 23.9721604421 - 0.000326794890 76.2045318401 - 0.001049942407 243.1823918288 - 0.003412857969 781.0303095243 - 0.011308622998 2533.5480778115 - 0.038583758429 8327.9875335549 - 0.136622748493 27658.3300259069 - 0.497107320996 90406.0337726421 - 1.763786039499 270844.3649830102 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 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0.000001001783 0.4272830393 + 0.000001001783 0.4272830394 0.000000317046 0.1385586357 0.000000100747 0.0547031672 0.000000319678 0.0850530727 - 0.000001012748 0.2412972479 - 0.000003206845 0.7547484625 - 0.000010158796 2.3863118383 - 0.000032219309 7.5581501767 - 0.000102410981 23.9721573765 - 0.000326794816 76.2045279692 - 0.001049942328 243.1823877985 - 0.003412857909 781.0303065704 - 0.011308623011 2533.5480784265 - 0.038583758674 8327.9875435911 - 0.136622749455 27658.3300569213 - 0.497107323763 90406.0338311380 - 1.763786045372 270844.3649940895 + 0.000001012748 0.2412972475 + 0.000003206845 0.7547484590 + 0.000010158796 2.3863118039 + 0.000032219309 7.5581498330 + 0.000102410981 23.9721539385 + 0.000326794816 76.2044935882 + 0.001049942328 243.1820444225 + 0.003412857909 781.0268952494 + 0.011308623011 2533.5148636852 + 0.038583758674 8327.6886844090 + 0.136622749455 27656.5128711669 + 0.497107323763 90420.8259316194 + 1.763786045372 271308.1204100549 1.360612170325 475717.8606083016 0.410098470223 159070.2104170808 0.122379599697 49318.4765575950 @@ -40,24 +40,24 @@ 0.000101154263 42.9033445677 0.000031830156 13.5205742224 0.000010037546 4.2674103579 - 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0.000000127699 0.0599911169 + 0.000000127699 0.0599911170 0.000000130194 0.0605591811 0.000000132473 0.0610880400 0.000000134560 0.0615799509 0.000000108924 0.0561550724 0.000000144963 0.0641329836 0.000000154826 0.0666851514 - 0.000000158117 0.0675610411 + 0.000000158117 0.0675610410 0.000000159270 0.0678704741 - 0.000000159680 0.0679808836 + 0.000000159680 0.0679808835 0.000000159827 0.0680204179 0.000000159880 0.0680345918 0.000000159899 0.0680396757 0.000000159907 0.0680419706 0.000000159909 0.0680424138 0.000000104628 0.0554130708 - 0.000000129499 0.0603998626 + 0.000000129499 0.0603998627 0.000000141703 0.0633161070 0.000000148606 0.0650620598 0.000000152756 0.0661400549 0.000000155332 0.0668189525 0.000000156960 0.0672518400 - 0.000000158002 0.0675300303 + 0.000000158002 0.0675300302 0.000000158672 0.0677096989 0.000000159105 0.0678261091 0.000000159386 0.0679016888 0.000000100914 0.0548231482 - 0.000000103532 0.0552338256 - 0.000000105998 0.0556431723 + 0.000000103532 0.0552338257 + 0.000000105998 0.0556431724 0.000000108325 0.0560481521 0.000000110525 0.0564466047 0.000000112607 0.0568370053 0.000000114581 0.0572182948 0.000000116455 0.0575897591 0.000000118236 0.0579509411 - 0.000000119929 0.0583015763 - 0.000000121542 0.0586415454 - 0.030000116639 3396.0891259440 - 0.030000146351 3396.0875250646 - 0.030000269442 3396.0810669117 - 0.030000291879 3396.0797707172 - 0.030000296176 3396.0795166972 - 0.030000297002 3396.0794676386 - 0.030000297164 3396.0794580307 - 0.030000297196 3396.0794561499 - 0.030000297205 3396.0794555853 - 0.030000297205 3396.0794555853 - 0.030000297205 3396.0794555853 - 0.030000297205 3396.0794555853 + 0.000000119929 0.0583015764 + 0.000000121542 0.0586415455 + 0.030000116639 3396.0891211971 + 0.030000146351 3396.0875207827 + 0.030000269442 3396.0810637560 + 0.030000291879 3396.0797676921 + 0.030000296176 3396.0795136956 + 0.030000297002 3396.0794646413 + 0.030000297164 3396.0794550343 + 0.030000297196 3396.0794531537 + 0.030000297205 3396.0794525891 + 0.030000297205 3396.0794525891 + 0.030000297205 3396.0794525891 + 0.030000297205 3396.0794525891 0.000000155027 0.0510773043 0.000000100644 0.0547821292 - 0.000134412912 11.2965516454 - 0.000134412912 11.2965516454 - 0.000000144292 0.0563872145 + 0.000134412912 11.2965460289 + 0.000134412912 11.2965460290 + 0.000000144292 0.0563872146 0.000000174724 0.0591557827 - 0.000000492366 0.0911384625 - 0.000003228275 0.4496355301 - 0.000010309551 1.4981621882 - 0.000018353005 2.5357658300 - 0.000031356994 3.9564218553 - 0.000044867506 5.2164683177 - 0.000058332023 6.3299980487 - 0.000071215301 7.3021420049 - 0.000104690885 9.5468649533 - 0.000121149482 10.5482677366 - 0.000127138540 10.9003188598 - 0.000129798971 11.0548307930 - 0.000129868897 11.0588769663 - 0.000129865485 11.0586795718 - 0.000129865458 11.0586779972 - 0.000134412912 11.2965516454 + 0.000000492366 0.0911384623 + 0.000003228275 0.4496355277 + 0.000010309551 1.4981621697 + 0.000018353005 2.5357657635 + 0.000031356994 3.9564216387 + 0.000044867506 5.2164678304 + 0.000058332023 6.3299971679 + 0.000071215301 7.3021406269 + 0.000104690885 9.5468617118 + 0.000121149482 10.5482632711 + 0.000127138539 10.9003138615 + 0.000129798971 11.0548256038 + 0.000129868897 11.0588717691 + 0.000129865485 11.0586743731 + 0.000129865458 11.0586727999 + 0.000134412912 11.2965460290 diff --git a/mytest/raw.out b/mytest/raw.out index 5ac541660..70a5f36ea 100644 --- a/mytest/raw.out +++ b/mytest/raw.out @@ -257,10 +257,10 @@ X 5.000e-01 mol pH = 7.711 Charge balance pe = 12.895 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 2524 + Specific Conductance (µS/cm, 25°C) = 2522 Density (g/cm³) = 0.99866 Volume (L) = 1.00347 - Viscosity (mPa s) = 0.90042 + Viscosity (mPa s) = 0.90126 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.884e-02 Mass of water (kg) = 1.000e+00 @@ -322,7 +322,6 @@ Na 3.422e-02 Na+ 3.377e-02 2.886e-02 -1.471 -1.540 -0.068 -1.28 NaHCO3 3.927e-04 3.980e-04 -3.406 -3.400 0.006 31.73 NaSO4- 5.298e-05 4.548e-05 -4.276 -4.342 -0.066 -11.19 - NaOH 1.491e-18 1.501e-18 -17.826 -17.824 0.003 (0) O(0) 4.373e-04 O2 2.187e-04 2.201e-04 -3.660 -3.657 0.003 30.40 S(-2) 0.000e+00 diff --git a/mytest/raw_101.sel b/mytest/raw_101.sel index e8742a24f..925b6c796 100644 --- a/mytest/raw_101.sel +++ b/mytest/raw_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.028844032409 2524.1000730755 + 0.028844032409 2522.9326085006 diff --git a/mytest/reaction_pressure_gas.out b/mytest/reaction_pressure_gas.out index 12d5c25a1..030742871 100644 --- a/mytest/reaction_pressure_gas.out +++ b/mytest/reaction_pressure_gas.out @@ -77,14 +77,14 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 92 Density (g/cm³) = 0.99710 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89063 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.007e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e-03 Total CO2 (mol/kg) = 1.004e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.641e-19 + Electrical balance (eq) = 2.573e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110134e+02 @@ -113,7 +113,6 @@ H(0) 5.724e-28 Na 1.000e-03 Na+ 9.992e-04 9.643e-04 -3.000 -3.016 -0.015 -1.48 NaHCO3 7.954e-07 7.957e-07 -6.099 -6.099 0.000 31.73 - NaOH 1.534e-19 1.535e-19 -18.814 -18.814 0.000 (0) O(0) 1.017e-37 O2 5.085e-38 5.086e-38 -37.294 -37.294 0.000 30.40 @@ -182,14 +181,14 @@ Using gas phase 1. Specific Conductance (µS/cm, 25°C) = 91 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89061 + Viscosity (mPa s) = 0.89064 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.004e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.000e-03 Total CO2 (mol/kg) = 1.019e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.254e-18 + Electrical balance (eq) = 1.485e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110134e+02 @@ -205,8 +204,8 @@ Using gas phase 1. H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 Ar 3.932e-04 Ar 3.932e-04 3.933e-04 -3.405 -3.405 0.000 (0) -C(-4) 4.762e-25 - CH4 4.762e-25 4.764e-25 -24.322 -24.322 0.000 35.46 +C(-4) 4.763e-25 + CH4 4.763e-25 4.764e-25 -24.322 -24.322 0.000 35.46 C(4) 1.019e-03 HCO3- 9.894e-04 9.551e-04 -3.005 -3.020 -0.015 24.58 CO2 2.476e-05 2.476e-05 -4.606 -4.606 0.000 34.43 @@ -218,7 +217,6 @@ H(0) 1.332e-14 Na 1.000e-03 Na+ 9.992e-04 9.643e-04 -3.000 -3.016 -0.015 -1.48 NaHCO3 8.018e-07 8.022e-07 -6.096 -6.096 0.000 31.73 - NaOH 8.463e-20 8.465e-20 -19.072 -19.072 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.027 -64.027 0.000 30.40 @@ -310,7 +308,7 @@ CO2(g) -3.04 9.087e-04 0.691 7.306e-29 7.912e-06 7.912e-06 Specific Conductance (µS/cm, 25°C) = 93 Density (g/cm³) = 1.00673 Volume (L) = 0.99854 - Viscosity (mPa s) = 0.88937 + Viscosity (mPa s) = 0.88940 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.005e-03 Mass of water (kg) = 1.000e+00 @@ -318,7 +316,7 @@ CO2(g) -3.04 9.087e-04 0.691 7.306e-29 7.912e-06 7.912e-06 Total CO2 (mol/kg) = 1.011e-03 Temperature (°C) = 25.00 Pressure (atm) = 100.00 - Electrical balance (eq) = -6.283e-17 + Electrical balance (eq) = -6.042e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110134e+02 @@ -334,8 +332,8 @@ CO2(g) -3.04 9.087e-04 0.691 7.306e-29 7.912e-06 7.912e-06 H2O 5.551e+01 9.978e-01 1.744 -0.001 0.000 17.99 Ar 1.297e-01 Ar 1.297e-01 1.297e-01 -0.887 -0.887 0.000 (0) -C(-4) 4.906e-25 - CH4 4.906e-25 4.907e-25 -24.309 -24.309 0.000 35.59 +C(-4) 4.909e-25 + CH4 4.909e-25 4.910e-25 -24.309 -24.309 0.000 35.59 C(4) 1.011e-03 HCO3- 9.862e-04 9.522e-04 -3.006 -3.021 -0.015 24.91 CO2 1.859e-05 1.859e-05 -4.731 -4.731 0.000 34.39 @@ -343,11 +341,10 @@ C(4) 1.011e-03 NaHCO3 7.740e-07 7.744e-07 -6.111 -6.111 0.000 31.76 (CO2)2 6.341e-12 6.343e-12 -11.198 -11.198 0.000 68.77 H(0) 1.332e-14 - H2 6.658e-15 6.660e-15 -14.177 -14.177 0.000 28.56 + H2 6.660e-15 6.661e-15 -14.177 -14.176 0.000 28.56 Na 1.000e-03 Na+ 9.992e-04 9.645e-04 -3.000 -3.016 -0.015 -1.16 NaHCO3 7.740e-07 7.744e-07 -6.111 -6.111 0.000 31.76 - NaOH 1.077e-19 1.077e-19 -18.968 -18.968 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.119 -64.119 0.000 30.26 @@ -418,7 +415,7 @@ CO2(g) -2.82 1.518e-03 0.517 7.306e-29 5.721e-06 5.721e-06 Specific Conductance (µS/cm, 25°C) = 93 Density (g/cm³) = 1.01589 Volume (L) = 0.99415 - Viscosity (mPa s) = 0.88845 + Viscosity (mPa s) = 0.88848 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.005e-03 Mass of water (kg) = 1.000e+00 @@ -442,8 +439,8 @@ CO2(g) -2.82 1.518e-03 0.517 7.306e-29 5.721e-06 5.721e-06 H2O 5.551e+01 9.958e-01 1.744 -0.002 0.000 17.91 Ar 2.468e-01 Ar 2.468e-01 2.469e-01 -0.608 -0.607 0.000 (0) -C(-4) 7.325e-25 - CH4 7.325e-25 7.327e-25 -24.135 -24.135 0.000 35.71 +C(-4) 7.328e-25 + CH4 7.328e-25 7.330e-25 -24.135 -24.135 0.000 35.71 C(4) 1.014e-03 HCO3- 9.872e-04 9.533e-04 -3.006 -3.021 -0.015 25.22 CO2 2.021e-05 2.021e-05 -4.695 -4.694 0.000 34.34 @@ -451,11 +448,10 @@ C(4) 1.014e-03 NaHCO3 7.536e-07 7.540e-07 -6.123 -6.123 0.000 31.80 (CO2)2 7.495e-12 7.497e-12 -11.125 -11.125 0.000 68.68 H(0) 1.332e-14 - H2 6.658e-15 6.660e-15 -14.177 -14.177 0.000 28.52 + H2 6.659e-15 6.661e-15 -14.177 -14.176 0.000 28.52 Na 1.000e-03 Na+ 9.992e-04 9.647e-04 -3.000 -3.016 -0.015 -0.86 NaHCO3 7.536e-07 7.540e-07 -6.123 -6.123 0.000 31.80 - NaOH 9.546e-20 9.549e-20 -19.020 -19.020 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.212 -64.212 0.000 30.12 @@ -464,7 +460,7 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 200 atm) Ar(g) 2.25 -0.61 -2.85 Ar Pressure 200.0 atm, phi 0.880 - CH4(g) -21.21 -24.14 -2.93 CH4 + CH4(g) -21.21 -24.13 -2.93 CH4 CO2(g) -3.10 -4.69 -1.59 CO2 Pressure 0.0 atm, phi 0.517 H2(g) -10.97 -14.18 -3.20 H2 H2O(g) -1.44 -0.00 1.44 H2O @@ -780,7 +776,7 @@ C(4) 4.687e-06 CO3-2 5.251e-11 5.223e-11 -10.280 -10.282 -0.002 -3.13 (CO2)2 2.112e-13 2.112e-13 -12.675 -12.675 0.000 68.77 H(0) 1.984e-39 - H2 9.919e-40 9.919e-40 -39.004 -39.004 0.000 28.56 + H2 9.920e-40 9.920e-40 -39.004 -39.004 0.000 28.56 O(0) 6.852e-15 O2 3.426e-15 3.426e-15 -14.465 -14.465 0.000 30.26 diff --git a/mytest/reaction_pressure_gas_101.sel b/mytest/reaction_pressure_gas_101.sel index 676256dc1..a3cfa9849 100644 --- a/mytest/reaction_pressure_gas_101.sel +++ b/mytest/reaction_pressure_gas_101.sel @@ -1,11 +1,11 @@ Mu SC - 0.001007257467 92.3299612608 - 0.001003682722 91.8656666562 - 0.001005177505 93.0072914077 - 0.001004749237 93.8692074533 + 0.001007257467 92.3291231314 + 0.001003682722 91.8641633998 + 0.001005177505 93.0061269714 + 0.001004749237 93.8679174465 0.000000100661 0.0546997340 - 0.000001419871 0.5682591212 + 0.000001419871 0.5682566744 0.000000100661 0.0546997340 - 0.000001303145 0.5165421170 + 0.000001303145 0.5165400841 0.000000100661 0.0546997340 - 0.000002612331 1.0387198579 + 0.000002612331 1.0387094132 diff --git a/mytest/rho_CaKMgNaCl.out b/mytest/rho_CaKMgNaCl.out index 332b40384..1051fa936 100644 --- a/mytest/rho_CaKMgNaCl.out +++ b/mytest/rho_CaKMgNaCl.out @@ -4350,7 +4350,7 @@ Initial solution 8. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 35°C) = 234495 + Specific Conductance (µS/cm, 35°C) = 234494 Density (g/cm³) = 1.22388 Volume (L) = 1.11861 Viscosity (mPa s) = 1.93587 @@ -5106,7 +5106,7 @@ Initial solution 17. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 35°C) = 239090 + Specific Conductance (µS/cm, 35°C) = 239089 Density (g/cm³) = 1.21424 Volume (L) = 1.11241 Viscosity (mPa s) = 1.78282 @@ -6860,7 +6860,7 @@ Initial solution 12. Specific Conductance (µS/cm, 45°C) = 274933 Density (g/cm³) = 1.22010 Volume (L) = 1.12253 - Viscosity (mPa s) = 1.60471 + Viscosity (mPa s) = 1.60472 Activity of water = 0.687 Ionic strength (mol/kgw) = 9.558e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/rho_CaNaCl.out b/mytest/rho_CaNaCl.out index a8c0a13ce..ab140a6d4 100644 --- a/mytest/rho_CaNaCl.out +++ b/mytest/rho_CaNaCl.out @@ -196,7 +196,6 @@ H(0) 1.392e-25 H2 6.962e-26 8.764e-26 -25.157 -25.057 0.100 28.63 Na 7.978e-01 Na+ 7.978e-01 5.783e-01 -0.098 -0.238 -0.140 -1.43 - NaOH 8.300e-19 1.045e-18 -18.081 -17.981 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.311 -49.211 0.100 28.29 @@ -271,7 +270,6 @@ H(0) 1.106e-25 H2 5.530e-26 8.764e-26 -25.257 -25.057 0.200 28.63 Na 1.587e+00 Na+ 1.587e+00 1.272e+00 0.201 0.105 -0.096 -1.02 - NaOH 1.405e-18 2.227e-18 -17.852 -17.652 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.439 -49.239 0.200 28.29 @@ -346,7 +344,6 @@ H(0) 1.392e-25 H2 6.962e-26 8.764e-26 -25.157 -25.057 0.100 28.63 Na 5.950e-01 Na+ 5.950e-01 4.313e-01 -0.225 -0.365 -0.140 -1.43 - NaOH 6.212e-19 7.821e-19 -18.207 -18.107 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.308 -49.208 0.100 28.29 @@ -421,7 +418,6 @@ H(0) 1.392e-25 H2 6.962e-26 8.764e-26 -25.157 -25.057 0.100 28.63 Na 3.948e-01 Na+ 3.948e-01 2.862e-01 -0.404 -0.543 -0.140 -1.43 - NaOH 4.137e-19 5.208e-19 -18.383 -18.283 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.305 -49.205 0.100 28.29 @@ -496,7 +492,6 @@ H(0) 1.106e-25 H2 5.530e-26 8.764e-26 -25.257 -25.057 0.200 28.63 Na 1.180e+00 Na+ 1.180e+00 9.457e-01 0.072 -0.024 -0.096 -1.02 - NaOH 1.052e-18 1.667e-18 -17.978 -17.778 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.432 -49.232 0.200 28.29 @@ -571,7 +566,6 @@ H(0) 1.392e-25 H2 6.962e-26 8.764e-26 -25.157 -25.057 0.100 28.63 Na 1.965e-01 Na+ 1.965e-01 1.424e-01 -0.707 -0.846 -0.140 -1.43 - NaOH 2.066e-19 2.601e-19 -18.685 -18.585 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.302 -49.202 0.100 28.29 @@ -646,7 +640,6 @@ H(0) 5.543e-26 H2 2.772e-26 8.764e-26 -25.557 -25.057 0.500 28.63 Na 3.944e+00 Na+ 3.944e+00 4.879e+00 0.596 0.688 0.092 -0.32 - NaOH 2.439e-18 7.712e-18 -17.613 -17.113 0.500 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.827 -49.327 0.500 28.29 @@ -721,7 +714,6 @@ H(0) 1.106e-25 H2 5.530e-26 8.764e-26 -25.257 -25.057 0.200 28.63 Na 7.804e-01 Na+ 7.804e-01 6.255e-01 -0.108 -0.204 -0.096 -1.02 - NaOH 7.009e-19 1.111e-18 -18.154 -17.954 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.426 -49.226 0.200 28.29 @@ -796,7 +788,6 @@ H(0) 1.106e-25 H2 5.530e-26 8.764e-26 -25.257 -25.057 0.200 28.63 Na 3.924e-01 Na+ 3.924e-01 3.145e-01 -0.406 -0.502 -0.096 -1.02 - NaOH 3.549e-19 5.624e-19 -18.450 -18.250 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.420 -49.220 0.200 28.29 @@ -871,7 +862,6 @@ H(0) 5.543e-26 H2 2.771e-26 8.764e-26 -25.557 -25.057 0.500 28.63 Na 2.905e+00 Na+ 2.905e+00 3.593e+00 0.463 0.555 0.092 -0.32 - NaOH 1.833e-18 5.797e-18 -17.737 -17.237 0.500 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.809 -49.309 0.500 28.29 @@ -946,7 +936,6 @@ H(0) 5.543e-26 H2 2.771e-26 8.764e-26 -25.557 -25.057 0.500 28.63 Na 1.897e+00 Na+ 1.897e+00 2.347e+00 0.278 0.371 0.092 -0.32 - NaOH 1.221e-18 3.862e-18 -17.913 -17.413 0.500 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.792 -49.292 0.500 28.29 @@ -1021,7 +1010,6 @@ H(0) 5.543e-26 H2 2.771e-26 8.764e-26 -25.557 -25.057 0.500 28.63 Na 9.345e-01 Na+ 9.345e-01 1.156e+00 -0.029 0.063 0.092 -0.32 - NaOH 6.126e-19 1.937e-18 -18.213 -17.713 0.500 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.776 -49.276 0.500 28.29 @@ -1295,7 +1283,6 @@ H(0) 1.404e-25 H2 7.021e-26 7.079e-26 -25.154 -25.150 0.004 28.61 Na 3.600e-03 Na+ 3.600e-03 3.029e-03 -2.444 -2.519 -0.075 -1.10 - NaOH 3.038e-20 3.064e-20 -19.517 -19.514 0.004 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.084 -42.081 0.004 30.40 @@ -1370,7 +1357,6 @@ H(0) 1.376e-25 H2 6.881e-26 7.079e-26 -25.162 -25.150 0.012 28.61 Na 8.790e-02 Na+ 8.790e-02 6.770e-02 -1.056 -1.169 -0.113 -0.88 - NaOH 6.636e-19 6.828e-19 -18.178 -18.166 0.012 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.095 -42.083 0.012 30.40 @@ -1445,7 +1431,6 @@ H(0) 1.382e-25 H2 6.912e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 5.020e-02 Na+ 5.020e-02 3.918e-02 -1.299 -1.407 -0.108 -0.92 - NaOH 3.861e-19 3.955e-19 -18.413 -18.403 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.093 -42.082 0.010 30.40 @@ -1520,7 +1505,6 @@ H(0) 1.355e-25 H2 6.774e-26 7.079e-26 -25.169 -25.150 0.019 28.61 Na 1.365e-01 Na+ 1.365e-01 1.018e-01 -0.865 -0.992 -0.127 -0.78 - NaOH 9.804e-19 1.025e-18 -18.009 -17.989 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.104 -42.085 0.019 30.40 @@ -1595,7 +1579,6 @@ H(0) 1.392e-25 H2 6.959e-26 7.079e-26 -25.157 -25.150 0.007 28.61 Na 1.870e-02 Na+ 1.870e-02 1.496e-02 -1.728 -1.825 -0.097 -0.98 - NaOH 1.486e-19 1.512e-19 -18.828 -18.820 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.089 -42.081 0.007 30.40 @@ -1670,7 +1653,6 @@ H(0) 1.377e-25 H2 6.886e-26 7.079e-26 -25.162 -25.150 0.012 28.61 Na 6.050e-02 Na+ 6.050e-02 4.669e-02 -1.218 -1.331 -0.113 -0.89 - NaOH 4.582e-19 4.711e-19 -18.339 -18.327 0.012 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.095 -42.083 0.012 30.40 @@ -1745,7 +1727,6 @@ H(0) 1.387e-25 H2 6.937e-26 7.079e-26 -25.159 -25.150 0.009 28.61 Na 2.200e-02 Na+ 2.200e-02 1.738e-02 -1.658 -1.760 -0.102 -0.95 - NaOH 1.721e-19 1.756e-19 -18.764 -18.755 0.009 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.090 -42.082 0.009 30.40 @@ -1820,7 +1801,6 @@ H(0) 1.383e-25 H2 6.917e-26 7.079e-26 -25.160 -25.150 0.010 28.61 Na 2.530e-02 Na+ 2.530e-02 1.979e-02 -1.597 -1.704 -0.107 -0.92 - NaOH 1.953e-19 1.998e-19 -18.709 -18.699 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.092 -42.082 0.010 30.40 @@ -1895,7 +1875,6 @@ H(0) 1.387e-25 H2 6.934e-26 7.079e-26 -25.159 -25.150 0.009 28.61 Na 9.100e-03 Na+ 9.100e-03 7.176e-03 -2.041 -2.144 -0.103 -0.94 - NaOH 7.102e-20 7.251e-20 -19.149 -19.140 0.009 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.091 -42.081 0.009 30.40 @@ -1970,7 +1949,6 @@ H(0) 1.374e-25 H2 6.870e-26 7.079e-26 -25.163 -25.150 0.013 28.61 Na 3.780e-02 Na+ 3.780e-02 2.900e-02 -1.423 -1.538 -0.115 -0.87 - NaOH 2.841e-19 2.927e-19 -18.547 -18.534 0.013 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.096 -42.082 0.013 30.40 @@ -2045,7 +2023,6 @@ H(0) 1.350e-25 H2 6.748e-26 7.079e-26 -25.171 -25.150 0.021 28.61 Na 1.008e-01 Na+ 1.008e-01 7.475e-02 -0.997 -1.126 -0.130 -0.76 - NaOH 7.173e-19 7.526e-19 -18.144 -18.123 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.105 -42.085 0.021 30.40 @@ -2120,7 +2097,6 @@ H(0) 1.349e-25 H2 6.746e-26 7.079e-26 -25.171 -25.150 0.021 28.61 Na 1.014e-01 Na+ 1.014e-01 7.516e-02 -0.994 -1.124 -0.130 -0.75 - NaOH 7.211e-19 7.567e-19 -18.142 -18.121 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.106 -42.085 0.021 30.40 @@ -2195,7 +2171,6 @@ H(0) 1.376e-25 H2 6.878e-26 7.079e-26 -25.163 -25.150 0.013 28.61 Na 1.670e-02 Na+ 1.670e-02 1.285e-02 -1.777 -1.891 -0.114 -0.88 - NaOH 1.260e-19 1.297e-19 -18.900 -18.887 0.013 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.095 -42.082 0.013 30.40 @@ -2270,7 +2245,6 @@ H(0) 1.293e-25 H2 6.467e-26 7.079e-26 -25.189 -25.150 0.039 28.61 Na 2.797e-01 Na+ 2.797e-01 1.999e-01 -0.553 -0.699 -0.146 -0.57 - NaOH 1.827e-18 2.000e-18 -17.738 -17.699 0.039 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.129 -42.090 0.039 30.40 @@ -2345,7 +2319,6 @@ H(0) 1.372e-25 H2 6.861e-26 7.079e-26 -25.164 -25.150 0.014 28.61 Na 1.360e-02 Na+ 1.360e-02 1.040e-02 -1.866 -1.983 -0.116 -0.86 - NaOH 1.018e-19 1.050e-19 -18.992 -18.979 0.014 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.096 -42.082 0.014 30.40 @@ -2420,7 +2393,6 @@ H(0) 1.327e-25 H2 6.634e-26 7.079e-26 -25.178 -25.150 0.028 28.61 Na 1.416e-01 Na+ 1.416e-01 1.030e-01 -0.849 -0.987 -0.138 -0.67 - NaOH 9.696e-19 1.035e-18 -18.013 -17.985 0.028 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.114 -42.086 0.028 30.40 @@ -2495,7 +2467,6 @@ H(0) 1.323e-25 H2 6.617e-26 7.079e-26 -25.179 -25.150 0.029 28.61 Na 1.472e-01 Na+ 1.472e-01 1.068e-01 -0.832 -0.971 -0.139 -0.66 - NaOH 1.003e-18 1.073e-18 -17.999 -17.969 0.029 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.116 -42.087 0.029 30.40 @@ -2570,7 +2541,6 @@ H(0) 1.340e-25 H2 6.701e-26 7.079e-26 -25.174 -25.150 0.024 28.61 Na 6.940e-02 Na+ 6.940e-02 5.099e-02 -1.159 -1.292 -0.134 -0.72 - NaOH 4.860e-19 5.134e-19 -18.313 -18.290 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.108 -42.085 0.024 30.40 @@ -2645,7 +2615,6 @@ H(0) 1.236e-25 H2 6.179e-26 7.079e-26 -25.209 -25.150 0.059 28.61 Na 4.205e-01 Na+ 4.205e-01 2.972e-01 -0.376 -0.527 -0.151 -0.43 - NaOH 2.580e-18 2.956e-18 -17.588 -17.529 0.059 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.154 -42.095 0.059 30.40 @@ -2720,7 +2689,6 @@ H(0) 1.342e-25 H2 6.712e-26 7.079e-26 -25.173 -25.150 0.023 28.61 Na 5.790e-02 Na+ 5.790e-02 4.263e-02 -1.237 -1.370 -0.133 -0.73 - NaOH 4.071e-19 4.294e-19 -18.390 -18.367 0.023 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.107 -42.084 0.023 30.40 @@ -2795,7 +2763,6 @@ H(0) 1.354e-25 H2 6.768e-26 7.079e-26 -25.170 -25.150 0.020 28.61 Na 1.960e-02 Na+ 1.960e-02 1.460e-02 -1.708 -1.836 -0.128 -0.77 - NaOH 1.407e-19 1.472e-19 -18.852 -18.832 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.103 -42.083 0.020 30.40 @@ -2870,7 +2837,6 @@ H(0) 1.337e-25 H2 6.685e-26 7.079e-26 -25.175 -25.150 0.025 28.61 Na 6.240e-02 Na+ 6.240e-02 4.572e-02 -1.205 -1.340 -0.135 -0.71 - NaOH 4.346e-19 4.603e-19 -18.362 -18.337 0.025 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.110 -42.085 0.025 30.40 @@ -2945,7 +2911,6 @@ H(0) 1.294e-25 H2 6.468e-26 7.079e-26 -25.189 -25.150 0.039 28.61 Na 1.969e-01 Na+ 1.969e-01 1.407e-01 -0.706 -0.852 -0.146 -0.57 - NaOH 1.289e-18 1.410e-18 -17.890 -17.851 0.039 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.128 -42.089 0.039 30.40 @@ -3020,7 +2985,6 @@ H(0) 1.285e-25 H2 6.427e-26 7.079e-26 -25.192 -25.150 0.042 28.61 Na 2.032e-01 Na+ 2.032e-01 1.448e-01 -0.692 -0.839 -0.147 -0.55 - NaOH 1.317e-18 1.451e-18 -17.880 -17.838 0.042 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.131 -42.089 0.042 30.40 @@ -3095,7 +3059,6 @@ H(0) 1.320e-25 H2 6.601e-26 7.079e-26 -25.180 -25.150 0.030 28.61 Na 7.610e-02 Na+ 7.610e-02 5.510e-02 -1.119 -1.259 -0.140 -0.65 - NaOH 5.166e-19 5.541e-19 -18.287 -18.256 0.030 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.116 -42.086 0.030 30.40 @@ -3170,7 +3133,6 @@ H(0) 1.329e-25 H2 6.647e-26 7.079e-26 -25.177 -25.150 0.027 28.61 Na 3.640e-02 Na+ 3.640e-02 2.652e-02 -1.439 -1.576 -0.138 -0.68 - NaOH 2.507e-19 2.670e-19 -18.601 -18.574 0.027 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.112 -42.085 0.027 30.40 @@ -3245,7 +3207,6 @@ H(0) 1.316e-25 H2 6.579e-26 7.079e-26 -25.182 -25.150 0.032 28.61 Na 3.180e-02 Na+ 3.180e-02 2.296e-02 -1.498 -1.639 -0.141 -0.64 - NaOH 2.147e-19 2.311e-19 -18.668 -18.636 0.032 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.117 -42.085 0.032 30.40 @@ -3320,7 +3281,6 @@ H(0) 1.123e-25 H2 5.615e-26 7.079e-26 -25.251 -25.150 0.101 28.61 Na 7.162e-01 Na+ 7.162e-01 5.126e-01 -0.145 -0.290 -0.145 -0.22 - NaOH 3.995e-18 5.037e-18 -17.398 -17.298 0.101 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.206 -42.106 0.101 30.40 @@ -3395,7 +3355,6 @@ H(0) 7.161e-26 H2 3.580e-26 7.079e-26 -25.446 -25.150 0.296 28.61 Na 2.662e+00 Na+ 2.662e+00 2.389e+00 0.425 0.378 -0.047 0.31 - NaOH 1.106e-17 2.187e-17 -16.956 -16.660 0.296 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.463 -42.167 0.296 30.40 @@ -3470,7 +3429,6 @@ H(0) 1.283e-25 H2 6.416e-26 7.079e-26 -25.193 -25.150 0.043 28.61 Na 1.069e-01 Na+ 1.069e-01 7.615e-02 -0.971 -1.118 -0.147 -0.54 - NaOH 6.922e-19 7.638e-19 -18.160 -18.117 0.043 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.131 -42.088 0.043 30.40 @@ -3545,7 +3503,6 @@ H(0) 1.224e-25 H2 6.118e-26 7.079e-26 -25.213 -25.150 0.063 28.61 Na 3.069e-01 Na+ 3.069e-01 2.168e-01 -0.513 -0.664 -0.151 -0.41 - NaOH 1.866e-18 2.159e-18 -17.729 -17.666 0.063 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.157 -42.094 0.063 30.40 @@ -3620,7 +3577,6 @@ H(0) 1.271e-25 H2 6.353e-26 7.079e-26 -25.197 -25.150 0.047 28.61 Na 1.368e-01 Na+ 1.368e-01 9.713e-02 -0.864 -1.013 -0.149 -0.51 - NaOH 8.731e-19 9.730e-19 -18.059 -18.012 0.047 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.136 -42.089 0.047 30.40 @@ -3695,7 +3651,6 @@ H(0) 1.298e-25 H2 6.489e-26 7.079e-26 -25.188 -25.150 0.038 28.61 Na 3.790e-02 Na+ 3.790e-02 2.713e-02 -1.421 -1.566 -0.145 -0.58 - NaOH 2.499e-19 2.727e-19 -18.602 -18.564 0.038 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.124 -42.086 0.038 30.40 @@ -3770,7 +3725,6 @@ H(0) 1.202e-25 H2 6.009e-26 7.079e-26 -25.221 -25.150 0.071 28.61 Na 3.571e-01 Na+ 3.571e-01 2.524e-01 -0.447 -0.598 -0.151 -0.36 - NaOH 2.129e-18 2.508e-18 -17.672 -17.601 0.071 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.167 -42.096 0.071 30.40 @@ -3845,7 +3799,6 @@ H(0) 1.195e-25 H2 5.977e-26 7.079e-26 -25.224 -25.150 0.074 28.61 Na 3.691e-01 Na+ 3.691e-01 2.610e-01 -0.433 -0.583 -0.150 -0.35 - NaOH 2.188e-18 2.592e-18 -17.660 -17.586 0.074 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.170 -42.096 0.074 30.40 @@ -3920,7 +3873,6 @@ H(0) 1.030e-25 H2 5.152e-26 7.079e-26 -25.288 -25.150 0.138 28.61 Na 9.824e-01 Na+ 9.824e-01 7.249e-01 -0.008 -0.140 -0.132 -0.08 - NaOH 5.124e-18 7.042e-18 -17.290 -17.152 0.138 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.254 -42.116 0.138 30.40 @@ -3995,7 +3947,6 @@ H(0) 1.253e-25 H2 6.264e-26 7.079e-26 -25.203 -25.150 0.053 28.61 Na 1.331e-01 Na+ 1.331e-01 9.422e-02 -0.876 -1.026 -0.150 -0.47 - NaOH 8.342e-19 9.429e-19 -18.079 -18.026 0.053 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.143 -42.090 0.053 30.40 @@ -4070,7 +4021,6 @@ H(0) 1.164e-25 H2 5.822e-26 7.079e-26 -25.235 -25.150 0.085 28.61 Na 4.111e-01 Na+ 4.111e-01 2.918e-01 -0.386 -0.535 -0.149 -0.29 - NaOH 2.377e-18 2.890e-18 -17.624 -17.539 0.085 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.184 -42.099 0.085 30.40 @@ -4145,7 +4095,6 @@ H(0) 1.251e-25 H2 6.253e-26 7.079e-26 -25.204 -25.150 0.054 28.61 Na 7.170e-02 Na+ 7.170e-02 5.074e-02 -1.144 -1.295 -0.150 -0.47 - NaOH 4.489e-19 5.082e-19 -18.348 -18.294 0.054 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.143 -42.089 0.054 30.40 @@ -4220,7 +4169,6 @@ H(0) 9.644e-26 H2 4.822e-26 7.079e-26 -25.317 -25.150 0.167 28.61 Na 1.187e+00 Na+ 1.187e+00 9.021e-01 0.074 -0.045 -0.119 0.01 - NaOH 5.917e-18 8.688e-18 -17.228 -17.061 0.167 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.290 -42.123 0.167 30.40 @@ -4295,7 +4243,6 @@ H(0) 1.197e-25 H2 5.984e-26 7.079e-26 -25.223 -25.150 0.073 28.61 Na 2.124e-01 Na+ 2.124e-01 1.502e-01 -0.673 -0.823 -0.151 -0.35 - NaOH 1.264e-18 1.496e-18 -17.898 -17.825 0.073 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.167 -42.094 0.073 30.40 @@ -4370,7 +4317,6 @@ H(0) 1.199e-25 H2 5.996e-26 7.079e-26 -25.222 -25.150 0.072 28.61 Na 1.803e-01 Na+ 1.803e-01 1.275e-01 -0.744 -0.895 -0.151 -0.36 - NaOH 1.076e-18 1.270e-18 -17.968 -17.896 0.072 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.166 -42.093 0.072 30.40 @@ -4445,7 +4391,6 @@ H(0) 1.229e-25 H2 6.147e-26 7.079e-26 -25.211 -25.150 0.061 28.61 Na 6.130e-02 Na+ 6.130e-02 4.331e-02 -1.213 -1.363 -0.151 -0.42 - NaOH 3.763e-19 4.334e-19 -18.424 -18.363 0.061 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.151 -42.090 0.061 30.40 @@ -4520,7 +4465,6 @@ H(0) 1.195e-25 H2 5.973e-26 7.079e-26 -25.224 -25.150 0.074 28.61 Na 1.850e-01 Na+ 1.850e-01 1.308e-01 -0.733 -0.883 -0.150 -0.35 - NaOH 1.100e-18 1.303e-18 -17.959 -17.885 0.074 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.168 -42.094 0.074 30.40 @@ -4595,7 +4539,6 @@ H(0) 1.106e-25 H2 5.529e-26 7.079e-26 -25.257 -25.150 0.107 28.61 Na 5.196e-01 Na+ 5.196e-01 3.736e-01 -0.284 -0.428 -0.143 -0.20 - NaOH 2.873e-18 3.679e-18 -17.542 -17.434 0.107 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.211 -42.104 0.107 30.40 @@ -4670,7 +4613,6 @@ H(0) 1.088e-25 H2 5.438e-26 7.079e-26 -25.265 -25.150 0.115 28.61 Na 5.749e-01 Na+ 5.749e-01 4.156e-01 -0.240 -0.381 -0.141 -0.17 - NaOH 3.136e-18 4.083e-18 -17.504 -17.389 0.115 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.220 -42.106 0.115 30.40 @@ -4745,7 +4687,6 @@ H(0) 4.423e-26 H2 2.212e-26 7.079e-26 -25.655 -25.150 0.505 28.61 Na 4.453e+00 Na+ 4.453e+00 5.466e+00 0.649 0.738 0.089 0.63 - NaOH 1.449e-17 4.638e-17 -16.839 -16.334 0.505 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.738 -42.233 0.505 30.40 @@ -4820,7 +4761,6 @@ H(0) 1.177e-25 H2 5.887e-26 7.079e-26 -25.230 -25.150 0.080 28.61 Na 2.008e-01 Na+ 2.008e-01 1.423e-01 -0.697 -0.847 -0.150 -0.32 - NaOH 1.177e-18 1.415e-18 -17.929 -17.849 0.080 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.175 -42.095 0.080 30.40 @@ -4895,7 +4835,6 @@ H(0) 8.664e-26 H2 4.332e-26 7.079e-26 -25.363 -25.150 0.213 28.61 Na 1.518e+00 Na+ 1.518e+00 1.219e+00 0.181 0.086 -0.095 0.13 - NaOH 7.083e-18 1.157e-17 -17.150 -16.936 0.213 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.349 -42.136 0.213 30.40 @@ -4970,7 +4909,6 @@ H(0) 1.060e-25 H2 5.302e-26 7.079e-26 -25.276 -25.150 0.126 28.61 Na 6.301e-01 Na+ 6.301e-01 4.596e-01 -0.201 -0.338 -0.137 -0.13 - NaOH 3.373e-18 4.503e-18 -17.472 -17.346 0.126 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.234 -42.108 0.126 30.40 @@ -5045,7 +4983,6 @@ H(0) 7.092e-26 H2 3.546e-26 7.079e-26 -25.450 -25.150 0.300 28.61 Na 2.376e+00 Na+ 2.376e+00 2.145e+00 0.376 0.331 -0.045 0.31 - NaOH 9.879e-18 1.972e-17 -17.005 -16.705 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.464 -42.163 0.300 30.40 @@ -5120,7 +5057,6 @@ H(0) 1.060e-25 H2 5.299e-26 7.079e-26 -25.276 -25.150 0.126 28.61 Na 6.091e-01 Na+ 6.091e-01 4.444e-01 -0.215 -0.352 -0.137 -0.13 - NaOH 3.260e-18 4.356e-18 -17.487 -17.361 0.126 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.234 -42.108 0.126 30.40 @@ -5195,7 +5131,6 @@ H(0) 8.187e-26 H2 4.093e-26 7.079e-26 -25.388 -25.150 0.238 28.61 Na 1.693e+00 Na+ 1.693e+00 1.404e+00 0.229 0.147 -0.081 0.19 - NaOH 7.646e-18 1.322e-17 -17.117 -16.879 0.238 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.380 -42.142 0.238 30.40 @@ -5270,7 +5205,6 @@ H(0) 1.144e-25 H2 5.720e-26 7.079e-26 -25.243 -25.150 0.093 28.61 Na 2.315e-01 Na+ 2.315e-01 1.649e-01 -0.635 -0.783 -0.147 -0.26 - NaOH 1.322e-18 1.636e-18 -17.879 -17.786 0.093 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.190 -42.097 0.093 30.40 @@ -5345,7 +5279,6 @@ H(0) 1.126e-25 H2 5.632e-26 7.079e-26 -25.249 -25.150 0.099 28.61 Na 2.890e-01 Na+ 2.890e-01 2.067e-01 -0.539 -0.685 -0.146 -0.23 - NaOH 1.628e-18 2.046e-18 -17.788 -17.689 0.099 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.198 -42.099 0.099 30.40 @@ -5420,7 +5353,6 @@ H(0) 1.170e-25 H2 5.849e-26 7.079e-26 -25.233 -25.150 0.083 28.61 Na 1.104e-01 Na+ 1.104e-01 7.829e-02 -0.957 -1.106 -0.149 -0.30 - NaOH 6.442e-19 7.798e-19 -18.191 -18.108 0.083 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.177 -42.094 0.083 30.40 @@ -5495,7 +5427,6 @@ H(0) 9.917e-26 H2 4.958e-26 7.079e-26 -25.305 -25.150 0.155 28.61 Na 7.487e-01 Na+ 7.487e-01 5.617e-01 -0.126 -0.250 -0.125 -0.03 - NaOH 3.827e-18 5.464e-18 -17.417 -17.263 0.155 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.269 -42.115 0.155 30.40 @@ -5570,7 +5501,6 @@ H(0) 1.099e-25 H2 5.494e-26 7.079e-26 -25.260 -25.150 0.110 28.61 Na 2.759e-01 Na+ 2.759e-01 1.988e-01 -0.559 -0.702 -0.142 -0.19 - NaOH 1.525e-18 1.965e-18 -17.817 -17.707 0.110 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.211 -42.101 0.110 30.40 @@ -5645,7 +5575,6 @@ H(0) 7.323e-26 H2 3.662e-26 7.079e-26 -25.436 -25.150 0.286 28.61 Na 2.038e+00 Na+ 2.038e+00 1.804e+00 0.309 0.256 -0.053 0.29 - NaOH 8.656e-18 1.674e-17 -17.063 -16.776 0.286 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.442 -42.156 0.286 30.40 @@ -5720,7 +5649,6 @@ H(0) 1.072e-25 H2 5.360e-26 7.079e-26 -25.271 -25.150 0.121 28.61 Na 3.515e-01 Na+ 3.515e-01 2.554e-01 -0.454 -0.593 -0.139 -0.14 - NaOH 1.905e-18 2.516e-18 -17.720 -17.599 0.121 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.224 -42.103 0.121 30.40 @@ -5795,7 +5723,6 @@ H(0) 7.178e-26 H2 3.589e-26 7.079e-26 -25.445 -25.150 0.295 28.61 Na 2.067e+00 Na+ 2.067e+00 1.852e+00 0.315 0.268 -0.048 0.30 - NaOH 8.691e-18 1.714e-17 -17.061 -16.766 0.295 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.452 -42.157 0.295 30.40 @@ -5870,7 +5797,6 @@ H(0) 1.121e-25 H2 5.604e-26 7.079e-26 -25.251 -25.150 0.101 28.61 Na 1.015e-01 Na+ 1.015e-01 7.269e-02 -0.994 -1.139 -0.145 -0.22 - NaOH 5.713e-19 7.218e-19 -18.243 -18.142 0.101 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.198 -42.097 0.101 30.40 @@ -5945,7 +5871,6 @@ H(0) 9.385e-26 H2 4.693e-26 7.079e-26 -25.329 -25.150 0.179 28.61 Na 8.645e-01 Na+ 8.645e-01 6.659e-01 -0.063 -0.177 -0.113 0.04 - NaOH 4.266e-18 6.436e-18 -17.370 -17.191 0.179 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.299 -42.120 0.179 30.40 @@ -6020,7 +5945,6 @@ H(0) 1.063e-25 H2 5.314e-26 7.079e-26 -25.275 -25.150 0.125 28.61 Na 3.121e-01 Na+ 3.121e-01 2.275e-01 -0.506 -0.643 -0.137 -0.13 - NaOH 1.683e-18 2.241e-18 -17.774 -17.649 0.125 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.228 -42.103 0.125 30.40 @@ -6095,7 +6019,6 @@ H(0) 1.098e-25 H2 5.488e-26 7.079e-26 -25.261 -25.150 0.111 28.61 Na 1.472e-01 Na+ 1.472e-01 1.061e-01 -0.832 -0.974 -0.142 -0.18 - NaOH 8.146e-19 1.051e-18 -18.089 -17.978 0.111 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.209 -42.099 0.111 30.40 @@ -6170,7 +6093,6 @@ H(0) 9.058e-26 H2 4.529e-26 7.079e-26 -25.344 -25.150 0.194 28.61 Na 9.736e-01 Na+ 9.736e-01 7.636e-01 -0.012 -0.117 -0.105 0.08 - NaOH 4.699e-18 7.346e-18 -17.328 -17.134 0.194 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.318 -42.124 0.194 30.40 @@ -6245,7 +6167,6 @@ H(0) 6.431e-26 H2 3.216e-26 7.079e-26 -25.493 -25.150 0.343 28.61 Na 2.439e+00 Na+ 2.439e+00 2.340e+00 0.387 0.369 -0.018 0.39 - NaOH 9.685e-18 2.132e-17 -17.014 -16.671 0.343 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.514 -42.171 0.343 30.40 @@ -6320,7 +6241,6 @@ H(0) 4.429e-26 H2 2.215e-26 7.079e-26 -25.655 -25.150 0.505 28.61 Na 3.994e+00 Na+ 3.994e+00 4.897e+00 0.601 0.690 0.089 0.63 - NaOH 1.312e-17 4.195e-17 -16.882 -16.377 0.505 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.730 -42.225 0.505 30.40 @@ -6395,7 +6315,6 @@ H(0) 9.949e-26 H2 4.975e-26 7.079e-26 -25.303 -25.150 0.153 28.61 Na 4.458e-01 Na+ 4.458e-01 3.340e-01 -0.351 -0.476 -0.125 -0.04 - NaOH 2.295e-18 3.267e-18 -17.639 -17.486 0.153 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.263 -42.110 0.153 30.40 @@ -6470,7 +6389,6 @@ H(0) 1.071e-25 H2 5.356e-26 7.079e-26 -25.271 -25.150 0.121 28.61 Na 1.211e-01 Na+ 1.211e-01 8.801e-02 -0.917 -1.055 -0.139 -0.14 - NaOH 6.587e-19 8.706e-19 -18.181 -18.060 0.121 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.221 -42.100 0.121 30.40 @@ -6545,7 +6463,6 @@ H(0) 9.973e-26 H2 4.987e-26 7.079e-26 -25.302 -25.150 0.152 28.61 Na 3.805e-01 Na+ 3.805e-01 2.847e-01 -0.420 -0.546 -0.126 -0.04 - NaOH 1.964e-18 2.789e-18 -17.707 -17.555 0.152 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.261 -42.109 0.152 30.40 @@ -6620,7 +6537,6 @@ H(0) 5.567e-26 H2 2.784e-26 7.079e-26 -25.555 -25.150 0.405 28.61 Na 2.885e+00 Na+ 2.885e+00 3.038e+00 0.460 0.483 0.022 0.49 - NaOH 1.066e-17 2.712e-17 -16.972 -16.567 0.405 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.594 -42.189 0.405 30.40 @@ -6695,7 +6611,6 @@ H(0) 1.049e-25 H2 5.245e-26 7.079e-26 -25.280 -25.150 0.130 28.61 Na 1.302e-01 Na+ 1.302e-01 9.537e-02 -0.885 -1.021 -0.135 -0.11 - NaOH 6.978e-19 9.418e-19 -18.156 -18.026 0.130 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.232 -42.101 0.130 30.40 @@ -6770,7 +6685,6 @@ H(0) 8.379e-26 H2 4.190e-26 7.079e-26 -25.378 -25.150 0.228 28.61 Na 1.103e+00 Na+ 1.103e+00 9.022e-01 0.042 -0.045 -0.087 0.16 - NaOH 5.094e-18 8.607e-18 -17.293 -17.065 0.228 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.359 -42.131 0.228 30.40 @@ -6845,7 +6759,6 @@ H(0) 8.086e-26 H2 4.043e-26 7.079e-26 -25.393 -25.150 0.243 28.61 Na 1.221e+00 Na+ 1.221e+00 1.019e+00 0.087 0.008 -0.078 0.20 - NaOH 5.526e-18 9.676e-18 -17.258 -17.014 0.243 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.379 -42.136 0.243 30.40 @@ -6920,7 +6833,6 @@ H(0) 1.024e-25 H2 5.119e-26 7.079e-26 -25.291 -25.150 0.141 28.61 Na 1.875e-01 Na+ 1.875e-01 1.387e-01 -0.727 -0.858 -0.131 -0.07 - NaOH 9.876e-19 1.366e-18 -18.005 -17.865 0.141 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.245 -42.104 0.141 30.40 @@ -6995,7 +6907,6 @@ H(0) 7.892e-26 H2 3.946e-26 7.079e-26 -25.404 -25.150 0.254 28.61 Na 1.274e+00 Na+ 1.274e+00 1.078e+00 0.105 0.033 -0.072 0.22 - NaOH 5.690e-18 1.021e-17 -17.245 -16.991 0.254 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.392 -42.138 0.254 30.40 @@ -7070,7 +6981,6 @@ H(0) 9.601e-26 H2 4.800e-26 7.079e-26 -25.319 -25.150 0.169 28.61 Na 4.219e-01 Na+ 4.219e-01 3.214e-01 -0.375 -0.493 -0.118 0.01 - NaOH 2.126e-18 3.136e-18 -17.672 -17.504 0.169 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.280 -42.112 0.169 30.40 @@ -7145,7 +7055,6 @@ H(0) 7.039e-26 H2 3.519e-26 7.079e-26 -25.454 -25.150 0.304 28.61 Na 1.759e+00 Na+ 1.759e+00 1.595e+00 0.245 0.203 -0.043 0.32 - NaOH 7.372e-18 1.483e-17 -17.132 -16.829 0.304 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.457 -42.154 0.304 30.40 @@ -7220,7 +7129,6 @@ H(0) 7.705e-26 H2 3.853e-26 7.079e-26 -25.414 -25.150 0.264 28.61 Na 1.326e+00 Na+ 1.326e+00 1.139e+00 0.123 0.056 -0.066 0.24 - NaOH 5.848e-18 1.075e-17 -17.233 -16.969 0.264 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.405 -42.141 0.264 30.40 @@ -7295,7 +7203,6 @@ H(0) 4.822e-26 H2 2.411e-26 7.079e-26 -25.618 -25.150 0.468 28.61 Na 3.329e+00 Na+ 3.329e+00 3.856e+00 0.522 0.586 0.064 0.58 - NaOH 1.148e-17 3.371e-17 -16.940 -16.472 0.468 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.675 -42.207 0.468 30.40 @@ -7370,7 +7277,6 @@ H(0) 7.462e-26 H2 3.731e-26 7.079e-26 -25.428 -25.150 0.278 28.61 Na 1.347e+00 Na+ 1.347e+00 1.179e+00 0.129 0.071 -0.058 0.27 - NaOH 5.846e-18 1.109e-17 -17.233 -16.955 0.278 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.421 -42.143 0.278 30.40 @@ -7445,7 +7351,6 @@ H(0) 8.862e-26 H2 4.431e-26 7.079e-26 -25.353 -25.150 0.203 28.61 Na 5.920e-01 Na+ 5.920e-01 4.697e-01 -0.228 -0.328 -0.100 0.10 - NaOH 2.843e-18 4.542e-18 -17.546 -17.343 0.203 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.323 -42.120 0.203 30.40 @@ -7520,7 +7425,6 @@ H(0) 4.423e-26 H2 2.211e-26 7.079e-26 -25.655 -25.150 0.505 28.61 Na 3.596e+00 Na+ 3.596e+00 4.414e+00 0.556 0.645 0.089 0.63 - NaOH 1.191e-17 3.811e-17 -16.924 -16.419 0.505 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.723 -42.218 0.505 30.40 @@ -7595,7 +7499,6 @@ H(0) 9.571e-26 H2 4.785e-26 7.079e-26 -25.320 -25.150 0.170 28.61 Na 2.264e-01 Na+ 2.264e-01 1.727e-01 -0.645 -0.763 -0.118 0.01 - NaOH 1.143e-18 1.691e-18 -17.942 -17.772 0.170 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.279 -42.109 0.170 30.40 @@ -7670,7 +7573,6 @@ H(0) 9.705e-26 H2 4.852e-26 7.079e-26 -25.314 -25.150 0.164 28.61 Na 1.641e-01 Na+ 1.641e-01 1.244e-01 -0.785 -0.905 -0.120 -0.00 - NaOH 8.363e-19 1.220e-18 -18.078 -17.914 0.164 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.271 -42.107 0.164 30.40 @@ -7745,7 +7647,6 @@ H(0) 4.640e-26 H2 2.320e-26 7.079e-26 -25.634 -25.150 0.484 28.61 Na 3.362e+00 Na+ 3.362e+00 3.996e+00 0.527 0.602 0.075 0.60 - NaOH 1.140e-17 3.480e-17 -16.943 -16.458 0.484 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.695 -42.211 0.484 30.40 @@ -7820,7 +7721,6 @@ H(0) 7.080e-26 H2 3.540e-26 7.079e-26 -25.451 -25.150 0.301 28.61 Na 1.510e+00 Na+ 1.510e+00 1.365e+00 0.179 0.135 -0.044 0.32 - NaOH 6.376e-18 1.275e-17 -17.195 -16.894 0.301 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.450 -42.149 0.301 30.40 @@ -7895,7 +7795,6 @@ H(0) 6.749e-26 H2 3.374e-26 7.079e-26 -25.472 -25.150 0.322 28.61 Na 1.615e+00 Na+ 1.615e+00 1.503e+00 0.208 0.177 -0.031 0.35 - NaOH 6.655e-18 1.396e-17 -17.177 -16.855 0.322 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.476 -42.154 0.322 30.40 @@ -7970,7 +7869,6 @@ H(0) 3.906e-26 H2 1.953e-26 7.079e-26 -25.709 -25.150 0.559 28.61 Na 3.980e+00 Na+ 3.980e+00 5.318e+00 0.600 0.726 0.126 0.70 - NaOH 1.243e-17 4.506e-17 -16.905 -16.346 0.559 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.794 -42.234 0.559 30.40 @@ -8045,7 +7943,6 @@ H(0) 6.625e-26 H2 3.313e-26 7.079e-26 -25.480 -25.150 0.330 28.61 Na 1.655e+00 Na+ 1.655e+00 1.558e+00 0.219 0.193 -0.026 0.37 - NaOH 6.759e-18 1.445e-17 -17.170 -16.840 0.330 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.486 -42.156 0.330 30.40 @@ -8120,7 +8017,6 @@ H(0) 8.371e-26 H2 4.186e-26 7.079e-26 -25.378 -25.150 0.228 28.61 Na 5.706e-01 Na+ 5.706e-01 4.671e-01 -0.244 -0.331 -0.087 0.16 - NaOH 2.660e-18 4.498e-18 -17.575 -17.347 0.228 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.351 -42.123 0.228 30.40 @@ -8195,7 +8091,6 @@ H(0) 6.829e-26 H2 3.414e-26 7.079e-26 -25.467 -25.150 0.317 28.61 Na 1.451e+00 Na+ 1.451e+00 1.341e+00 0.162 0.127 -0.034 0.34 - NaOH 6.032e-18 1.251e-17 -17.220 -16.903 0.317 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.468 -42.151 0.317 30.40 @@ -8270,7 +8165,6 @@ H(0) 6.555e-26 H2 3.277e-26 7.079e-26 -25.484 -25.150 0.334 28.61 Na 1.619e+00 Na+ 1.619e+00 1.535e+00 0.209 0.186 -0.023 0.38 - NaOH 6.585e-18 1.423e-17 -17.181 -16.847 0.334 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.491 -42.157 0.334 30.40 @@ -8345,7 +8239,6 @@ H(0) 8.933e-26 H2 4.467e-26 7.079e-26 -25.350 -25.150 0.200 28.61 Na 2.662e-01 Na+ 2.662e-01 2.103e-01 -0.575 -0.677 -0.102 0.10 - NaOH 1.291e-18 2.047e-18 -17.889 -17.689 0.200 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.314 -42.114 0.200 30.40 @@ -8420,7 +8313,6 @@ H(0) 8.186e-26 H2 4.093e-26 7.079e-26 -25.388 -25.150 0.238 28.61 Na 5.962e-01 Na+ 5.962e-01 4.942e-01 -0.225 -0.306 -0.081 0.19 - NaOH 2.746e-18 4.749e-18 -17.561 -17.323 0.238 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.363 -42.125 0.238 30.40 @@ -8495,7 +8387,6 @@ H(0) 3.254e-26 H2 1.627e-26 7.079e-26 -25.789 -25.150 0.639 28.61 Na 4.545e+00 Na+ 4.545e+00 6.890e+00 0.658 0.838 0.181 0.79 - NaOH 1.305e-17 5.677e-17 -16.884 -16.246 0.639 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.897 -42.259 0.639 30.40 @@ -8570,7 +8461,6 @@ H(0) 5.993e-26 H2 2.996e-26 7.079e-26 -25.523 -25.150 0.373 28.61 Na 1.874e+00 Na+ 1.874e+00 1.880e+00 0.273 0.274 0.002 0.44 - NaOH 7.288e-18 1.722e-17 -17.137 -16.764 0.373 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.540 -42.167 0.373 30.40 @@ -8645,7 +8535,6 @@ H(0) 7.712e-26 H2 3.856e-26 7.079e-26 -25.414 -25.150 0.264 28.61 Na 7.676e-01 Na+ 7.676e-01 6.587e-01 -0.115 -0.181 -0.066 0.24 - NaOH 3.421e-18 6.281e-18 -17.466 -17.202 0.264 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.396 -42.132 0.264 30.40 @@ -8720,7 +8609,6 @@ H(0) 7.929e-26 H2 3.965e-26 7.079e-26 -25.402 -25.150 0.252 28.61 Na 6.296e-01 Na+ 6.296e-01 5.316e-01 -0.201 -0.274 -0.073 0.22 - NaOH 2.852e-18 5.093e-18 -17.545 -17.293 0.252 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.380 -42.128 0.252 30.40 @@ -8795,7 +8683,6 @@ H(0) 4.609e-26 H2 2.304e-26 7.079e-26 -25.637 -25.150 0.487 28.61 Na 2.883e+00 Na+ 2.883e+00 3.441e+00 0.460 0.537 0.077 0.61 - NaOH 9.842e-18 3.024e-17 -17.007 -16.519 0.487 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.690 -42.203 0.487 30.40 @@ -8870,7 +8757,6 @@ H(0) 5.797e-26 H2 2.899e-26 7.079e-26 -25.538 -25.150 0.388 28.61 Na 1.877e+00 Na+ 1.877e+00 1.925e+00 0.274 0.284 0.011 0.46 - NaOH 7.197e-18 1.758e-17 -17.143 -16.755 0.388 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.557 -42.169 0.388 30.40 @@ -8945,7 +8831,6 @@ H(0) 6.769e-26 H2 3.385e-26 7.079e-26 -25.470 -25.150 0.320 28.61 Na 1.202e+00 Na+ 1.202e+00 1.117e+00 0.080 0.048 -0.032 0.35 - NaOH 5.000e-18 1.046e-17 -17.301 -16.981 0.320 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.468 -42.148 0.320 30.40 @@ -9020,7 +8905,6 @@ H(0) 5.557e-26 H2 2.778e-26 7.079e-26 -25.556 -25.150 0.406 28.61 Na 2.038e+00 Na+ 2.038e+00 2.149e+00 0.309 0.332 0.023 0.49 - NaOH 7.650e-18 1.949e-17 -17.116 -16.710 0.406 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.581 -42.175 0.406 30.40 @@ -9095,7 +8979,6 @@ H(0) 7.099e-26 H2 3.550e-26 7.079e-26 -25.450 -25.150 0.300 28.61 Na 8.655e-01 Na+ 8.655e-01 7.807e-01 -0.063 -0.108 -0.045 0.31 - NaOH 3.702e-18 7.383e-18 -17.432 -17.132 0.300 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.439 -42.139 0.300 30.40 @@ -9170,7 +9053,6 @@ H(0) 8.001e-26 H2 4.001e-26 7.079e-26 -25.398 -25.150 0.248 28.61 Na 3.299e-01 Na+ 3.299e-01 2.771e-01 -0.482 -0.557 -0.076 0.21 - NaOH 1.509e-18 2.671e-18 -17.821 -17.573 0.248 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.370 -42.122 0.248 30.40 @@ -9245,7 +9127,6 @@ H(0) 8.019e-26 H2 4.010e-26 7.079e-26 -25.397 -25.150 0.247 28.61 Na 2.469e-01 Na+ 2.469e-01 2.071e-01 -0.607 -0.684 -0.076 0.21 - NaOH 1.132e-18 1.999e-18 -17.946 -17.699 0.247 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.368 -42.121 0.247 30.40 @@ -9320,7 +9201,6 @@ H(0) 7.150e-26 H2 3.575e-26 7.079e-26 -25.447 -25.150 0.297 28.61 Na 7.434e-01 Na+ 7.434e-01 6.676e-01 -0.129 -0.175 -0.047 0.31 - NaOH 3.197e-18 6.331e-18 -17.495 -17.199 0.297 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.433 -42.137 0.297 30.40 @@ -9395,7 +9275,6 @@ H(0) 6.740e-26 H2 3.370e-26 7.079e-26 -25.472 -25.150 0.322 28.61 Na 9.378e-01 Na+ 9.378e-01 8.735e-01 -0.028 -0.059 -0.031 0.35 - NaOH 3.911e-18 8.216e-18 -17.408 -17.085 0.322 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.466 -42.144 0.322 30.40 @@ -9470,7 +9349,6 @@ H(0) 6.989e-26 H2 3.494e-26 7.079e-26 -25.457 -25.150 0.307 28.61 Na 7.683e-01 Na+ 7.683e-01 6.997e-01 -0.114 -0.155 -0.041 0.33 - NaOH 3.268e-18 6.621e-18 -17.486 -17.179 0.307 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.445 -42.139 0.307 30.40 @@ -9545,7 +9423,6 @@ H(0) 4.950e-26 H2 2.475e-26 7.079e-26 -25.606 -25.150 0.456 28.61 Na 2.210e+00 Na+ 2.210e+00 2.514e+00 0.344 0.400 0.056 0.56 - NaOH 7.872e-18 2.252e-17 -17.104 -16.647 0.456 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.643 -42.186 0.456 30.40 @@ -9620,7 +9497,6 @@ H(0) 7.059e-26 H2 3.529e-26 7.079e-26 -25.452 -25.150 0.302 28.61 Na 5.896e-01 Na+ 5.896e-01 5.337e-01 -0.229 -0.273 -0.043 0.32 - NaOH 2.528e-18 5.070e-18 -17.597 -17.295 0.302 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.437 -42.135 0.302 30.40 @@ -9695,7 +9571,6 @@ H(0) 4.633e-26 H2 2.316e-26 7.079e-26 -25.635 -25.150 0.485 28.61 Na 2.389e+00 Na+ 2.389e+00 2.842e+00 0.378 0.454 0.075 0.60 - NaOH 8.254e-18 2.523e-17 -17.083 -16.598 0.485 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.679 -42.194 0.485 30.40 @@ -9770,7 +9645,6 @@ H(0) 6.639e-26 H2 3.319e-26 7.079e-26 -25.479 -25.150 0.329 28.61 Na 8.242e-01 Na+ 8.242e-01 7.750e-01 -0.084 -0.111 -0.027 0.37 - NaOH 3.421e-18 7.296e-18 -17.466 -17.137 0.329 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.472 -42.143 0.329 30.40 @@ -9845,7 +9719,6 @@ H(0) 4.471e-26 H2 2.235e-26 7.079e-26 -25.651 -25.150 0.501 28.61 Na 2.512e+00 Na+ 2.512e+00 3.062e+00 0.400 0.486 0.086 0.62 - NaOH 8.534e-18 2.703e-17 -17.069 -16.568 0.501 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.699 -42.199 0.501 30.40 @@ -9920,7 +9793,6 @@ H(0) 7.182e-26 H2 3.591e-26 7.079e-26 -25.445 -25.150 0.295 28.61 Na 3.923e-01 Na+ 3.923e-01 3.514e-01 -0.406 -0.454 -0.048 0.30 - NaOH 1.702e-18 3.354e-18 -17.769 -17.474 0.295 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.426 -42.131 0.295 30.40 @@ -9995,7 +9867,6 @@ H(0) 4.359e-26 H2 2.180e-26 7.079e-26 -25.662 -25.150 0.512 28.61 Na 2.477e+00 Na+ 2.477e+00 3.070e+00 0.394 0.487 0.093 0.64 - NaOH 8.333e-18 2.706e-17 -17.079 -16.568 0.512 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.712 -42.200 0.512 30.40 @@ -10070,7 +9941,6 @@ H(0) 6.004e-26 H2 3.002e-26 7.079e-26 -25.523 -25.150 0.373 28.61 Na 1.084e+00 Na+ 1.084e+00 1.087e+00 0.035 0.036 0.001 0.44 - NaOH 4.282e-18 1.010e-17 -17.368 -16.996 0.373 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.527 -42.154 0.373 30.40 @@ -10145,7 +10015,6 @@ H(0) 4.171e-26 H2 2.086e-26 7.079e-26 -25.681 -25.150 0.531 28.61 Na 2.663e+00 Na+ 2.663e+00 3.402e+00 0.425 0.532 0.106 0.66 - NaOH 8.770e-18 2.977e-17 -17.057 -16.526 0.531 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.737 -42.206 0.531 30.40 @@ -10220,7 +10089,6 @@ H(0) 7.184e-26 H2 3.592e-26 7.079e-26 -25.445 -25.150 0.295 28.61 Na 2.879e-01 Na+ 2.879e-01 2.578e-01 -0.541 -0.589 -0.048 0.30 - NaOH 1.251e-18 2.466e-18 -17.903 -17.608 0.295 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.424 -42.129 0.295 30.40 @@ -10295,7 +10163,6 @@ H(0) 6.141e-26 H2 3.071e-26 7.079e-26 -25.513 -25.150 0.363 28.61 Na 9.089e-01 Na+ 9.089e-01 8.980e-01 -0.041 -0.047 -0.005 0.42 - NaOH 3.638e-18 8.388e-18 -17.439 -17.076 0.363 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.512 -42.150 0.363 30.40 @@ -10370,7 +10237,6 @@ H(0) 3.990e-26 H2 1.995e-26 7.079e-26 -25.700 -25.150 0.550 28.61 Na 2.760e+00 Na+ 2.760e+00 3.634e+00 0.441 0.560 0.119 0.69 - NaOH 8.910e-18 3.162e-17 -17.050 -16.500 0.550 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.761 -42.211 0.550 30.40 @@ -10445,7 +10311,6 @@ H(0) 6.040e-26 H2 3.020e-26 7.079e-26 -25.520 -25.150 0.370 28.61 Na 9.250e-01 Na+ 9.250e-01 9.236e-01 -0.034 -0.034 -0.001 0.44 - NaOH 3.675e-18 8.614e-18 -17.435 -17.065 0.370 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.521 -42.151 0.370 30.40 @@ -10520,7 +10385,6 @@ H(0) 5.921e-26 H2 2.960e-26 7.079e-26 -25.529 -25.150 0.379 28.61 Na 9.467e-01 Na+ 9.467e-01 9.576e-01 -0.024 -0.019 0.005 0.45 - NaOH 3.727e-18 8.912e-18 -17.429 -17.050 0.379 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.532 -42.153 0.379 30.40 @@ -10595,7 +10459,6 @@ H(0) 3.738e-26 H2 1.869e-26 7.079e-26 -25.728 -25.150 0.578 28.61 Na 2.902e+00 Na+ 2.902e+00 3.997e+00 0.463 0.602 0.139 0.72 - NaOH 9.103e-18 3.448e-17 -17.041 -16.462 0.578 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.797 -42.219 0.578 30.40 @@ -10670,7 +10533,6 @@ H(0) 4.638e-26 H2 2.319e-26 7.079e-26 -25.635 -25.150 0.485 28.61 Na 1.949e+00 Na+ 1.949e+00 2.317e+00 0.290 0.365 0.075 0.60 - NaOH 6.795e-18 2.074e-17 -17.168 -16.683 0.485 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.671 -42.187 0.485 30.40 @@ -10745,7 +10607,6 @@ H(0) 3.786e-26 H2 1.893e-26 7.079e-26 -25.723 -25.150 0.573 28.61 Na 2.773e+00 Na+ 2.773e+00 3.785e+00 0.443 0.578 0.135 0.71 - NaOH 8.764e-18 3.277e-17 -17.057 -16.484 0.573 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.788 -42.216 0.573 30.40 @@ -10820,7 +10681,6 @@ H(0) 3.502e-26 H2 1.751e-26 7.079e-26 -25.757 -25.150 0.607 28.61 Na 3.044e+00 Na+ 3.044e+00 4.385e+00 0.484 0.642 0.158 0.75 - NaOH 9.278e-18 3.751e-17 -17.033 -16.426 0.607 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.833 -42.226 0.607 30.40 @@ -10895,7 +10755,6 @@ H(0) 6.513e-26 H2 3.257e-26 7.079e-26 -25.487 -25.150 0.337 28.61 Na 3.373e-01 Na+ 3.373e-01 3.210e-01 -0.472 -0.493 -0.021 0.38 - NaOH 1.400e-18 3.044e-18 -17.854 -17.517 0.337 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.474 -42.137 0.337 30.40 @@ -10970,7 +10829,6 @@ H(0) 3.455e-26 H2 1.727e-26 7.079e-26 -25.763 -25.150 0.613 28.61 Na 3.074e+00 Na+ 3.074e+00 4.470e+00 0.488 0.650 0.163 0.76 - NaOH 9.313e-18 3.816e-17 -17.031 -16.418 0.613 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.840 -42.228 0.613 30.40 @@ -11045,7 +10903,6 @@ H(0) 5.476e-26 H2 2.738e-26 7.079e-26 -25.563 -25.150 0.413 28.61 Na 1.032e+00 Na+ 1.032e+00 1.098e+00 0.013 0.041 0.027 0.50 - NaOH 3.921e-18 1.014e-17 -17.407 -16.994 0.413 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.572 -42.160 0.413 30.40 @@ -11120,7 +10977,6 @@ H(0) 5.461e-26 H2 2.730e-26 7.079e-26 -25.564 -25.150 0.414 28.61 Na 1.037e+00 Na+ 1.037e+00 1.105e+00 0.016 0.044 0.028 0.50 - NaOH 3.935e-18 1.020e-17 -17.405 -16.991 0.414 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.574 -42.160 0.414 30.40 @@ -11195,7 +11051,6 @@ H(0) 6.077e-26 H2 3.039e-26 7.079e-26 -25.517 -25.150 0.367 28.61 Na 4.889e-01 Na+ 4.889e-01 4.863e-01 -0.311 -0.313 -0.002 0.43 - NaOH 1.963e-18 4.574e-18 -17.707 -17.340 0.367 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.511 -42.144 0.367 30.40 @@ -11270,7 +11125,6 @@ H(0) 3.248e-26 H2 1.624e-26 7.079e-26 -25.789 -25.150 0.639 28.61 Na 3.208e+00 Na+ 3.208e+00 4.869e+00 0.506 0.687 0.181 0.79 - NaOH 9.461e-18 4.124e-17 -17.024 -16.385 0.639 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.874 -42.235 0.639 30.40 @@ -11345,7 +11199,6 @@ H(0) 5.012e-26 H2 2.506e-26 7.079e-26 -25.601 -25.150 0.451 28.61 Na 1.312e+00 Na+ 1.312e+00 1.480e+00 0.118 0.170 0.052 0.56 - NaOH 4.780e-18 1.350e-17 -17.321 -16.870 0.451 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.622 -42.171 0.451 30.40 @@ -11420,7 +11273,6 @@ H(0) 3.195e-26 H2 1.598e-26 7.079e-26 -25.797 -25.150 0.647 28.61 Na 3.130e+00 Na+ 3.130e+00 4.804e+00 0.496 0.682 0.186 0.80 - NaOH 9.184e-18 4.070e-17 -17.037 -16.390 0.647 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.881 -42.235 0.647 30.40 @@ -11495,7 +11347,6 @@ H(0) 4.927e-26 H2 2.464e-26 7.079e-26 -25.608 -25.150 0.458 28.61 Na 1.146e+00 Na+ 1.146e+00 1.308e+00 0.059 0.117 0.057 0.57 - NaOH 4.159e-18 1.195e-17 -17.381 -16.923 0.458 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.627 -42.169 0.458 30.40 @@ -11570,7 +11421,6 @@ H(0) 3.038e-26 H2 1.519e-26 7.079e-26 -25.818 -25.150 0.668 28.61 Na 3.236e+00 Na+ 3.236e+00 5.146e+00 0.510 0.711 0.201 0.82 - NaOH 9.290e-18 4.330e-17 -17.032 -16.364 0.668 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.909 -42.240 0.668 30.40 @@ -11645,7 +11495,6 @@ H(0) 4.879e-26 H2 2.439e-26 7.079e-26 -25.613 -25.150 0.463 28.61 Na 1.157e+00 Na+ 1.157e+00 1.329e+00 0.063 0.124 0.060 0.57 - NaOH 4.180e-18 1.213e-17 -17.379 -16.916 0.463 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.633 -42.170 0.463 30.40 @@ -11720,7 +11569,6 @@ H(0) 4.847e-26 H2 2.424e-26 7.079e-26 -25.616 -25.150 0.466 28.61 Na 1.166e+00 Na+ 1.166e+00 1.346e+00 0.067 0.129 0.062 0.58 - NaOH 4.202e-18 1.228e-17 -17.376 -16.911 0.466 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.636 -42.171 0.466 30.40 @@ -11795,7 +11643,6 @@ H(0) 4.540e-26 H2 2.270e-26 7.079e-26 -25.644 -25.150 0.494 28.61 Na 1.436e+00 Na+ 1.436e+00 1.732e+00 0.157 0.238 0.081 0.62 - NaOH 5.011e-18 1.563e-17 -17.300 -16.806 0.494 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.674 -42.180 0.494 30.40 @@ -11870,7 +11717,6 @@ H(0) 2.787e-26 H2 1.394e-26 7.079e-26 -25.856 -25.150 0.706 28.61 Na 3.542e+00 Na+ 3.542e+00 5.983e+00 0.549 0.777 0.228 0.86 - NaOH 9.773e-18 4.964e-17 -17.010 -16.304 0.706 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.958 -42.253 0.706 30.40 @@ -11945,7 +11791,6 @@ H(0) 4.692e-26 H2 2.346e-26 7.079e-26 -25.630 -25.150 0.480 28.61 Na 1.199e+00 Na+ 1.199e+00 1.415e+00 0.079 0.151 0.072 0.60 - NaOH 4.261e-18 1.286e-17 -17.370 -16.891 0.480 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.653 -42.173 0.480 30.40 @@ -12020,7 +11865,6 @@ H(0) 4.677e-26 H2 2.339e-26 7.079e-26 -25.631 -25.150 0.481 28.61 Na 1.205e+00 Na+ 1.205e+00 1.425e+00 0.081 0.154 0.073 0.60 - NaOH 4.276e-18 1.294e-17 -17.369 -16.888 0.481 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.655 -42.174 0.481 30.40 @@ -12095,7 +11939,6 @@ H(0) 4.655e-26 H2 2.327e-26 7.079e-26 -25.633 -25.150 0.483 28.61 Na 1.211e+00 Na+ 1.211e+00 1.435e+00 0.083 0.157 0.074 0.60 - NaOH 4.286e-18 1.304e-17 -17.368 -16.885 0.483 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.657 -42.174 0.483 30.40 @@ -12170,7 +12013,6 @@ H(0) 2.758e-26 H2 1.379e-26 7.079e-26 -25.860 -25.150 0.710 28.61 Na 3.439e+00 Na+ 3.439e+00 5.853e+00 0.536 0.767 0.231 0.86 - NaOH 9.471e-18 4.862e-17 -17.024 -16.313 0.710 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.962 -42.252 0.710 30.40 @@ -12245,7 +12087,6 @@ H(0) 4.277e-26 H2 2.138e-26 7.079e-26 -25.670 -25.150 0.520 28.61 Na 1.512e+00 Na+ 1.512e+00 1.899e+00 0.180 0.279 0.099 0.65 - NaOH 5.144e-18 1.703e-17 -17.289 -16.769 0.520 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.705 -42.185 0.520 30.40 @@ -12320,7 +12161,6 @@ H(0) 5.159e-26 H2 2.580e-26 7.079e-26 -25.588 -25.150 0.438 28.61 Na 5.836e-01 Na+ 5.836e-01 6.461e-01 -0.234 -0.190 0.044 0.54 - NaOH 2.181e-18 5.987e-18 -17.661 -17.223 0.438 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.595 -42.157 0.438 30.40 @@ -12395,7 +12235,6 @@ H(0) 4.629e-26 H2 2.315e-26 7.079e-26 -25.636 -25.150 0.486 28.61 Na 9.398e-01 Na+ 9.398e-01 1.119e+00 -0.027 0.049 0.076 0.60 - NaOH 3.337e-18 1.021e-17 -17.477 -16.991 0.486 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.656 -42.170 0.486 30.40 @@ -12470,7 +12309,6 @@ H(0) 4.191e-26 H2 2.096e-26 7.079e-26 -25.679 -25.150 0.529 28.61 Na 1.322e+00 Na+ 1.322e+00 1.683e+00 0.121 0.226 0.105 0.66 - NaOH 4.476e-18 1.512e-17 -17.349 -16.820 0.529 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.712 -42.184 0.529 30.40 @@ -12545,7 +12383,6 @@ H(0) 4.152e-26 H2 2.076e-26 7.079e-26 -25.683 -25.150 0.533 28.61 Na 1.332e+00 Na+ 1.332e+00 1.707e+00 0.125 0.232 0.108 0.66 - NaOH 4.493e-18 1.532e-17 -17.348 -16.815 0.533 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.717 -42.184 0.533 30.40 @@ -12620,7 +12457,6 @@ H(0) 4.978e-26 H2 2.489e-26 7.079e-26 -25.604 -25.150 0.454 28.61 Na 4.540e-01 Na+ 4.540e-01 5.147e-01 -0.343 -0.288 0.054 0.56 - NaOH 1.676e-18 4.767e-18 -17.776 -17.322 0.454 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.611 -42.157 0.454 30.40 @@ -12695,7 +12531,6 @@ H(0) 3.618e-26 H2 1.809e-26 7.079e-26 -25.743 -25.150 0.593 28.61 Na 1.724e+00 Na+ 1.724e+00 2.428e+00 0.237 0.385 0.149 0.74 - NaOH 5.463e-18 2.138e-17 -17.263 -16.670 0.593 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.794 -42.201 0.593 30.40 @@ -12770,7 +12605,6 @@ H(0) 3.890e-26 H2 1.945e-26 7.079e-26 -25.711 -25.150 0.561 28.61 Na 1.403e+00 Na+ 1.403e+00 1.879e+00 0.147 0.274 0.127 0.70 - NaOH 4.603e-18 1.676e-17 -17.337 -16.776 0.561 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.751 -42.190 0.561 30.40 @@ -12845,7 +12679,6 @@ H(0) 4.608e-26 H2 2.304e-26 7.079e-26 -25.638 -25.150 0.488 28.61 Na 4.917e-01 Na+ 4.917e-01 5.871e-01 -0.308 -0.231 0.077 0.61 - NaOH 1.757e-18 5.400e-18 -17.755 -17.268 0.488 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.651 -42.163 0.488 30.40 @@ -12920,7 +12753,6 @@ H(0) 4.355e-26 H2 2.178e-26 7.079e-26 -25.662 -25.150 0.512 28.61 Na 6.815e-01 Na+ 6.815e-01 8.453e-01 -0.167 -0.073 0.094 0.64 - NaOH 2.372e-18 7.712e-18 -17.625 -17.113 0.512 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.682 -42.170 0.512 30.40 @@ -12995,7 +12827,6 @@ H(0) 3.542e-26 H2 1.771e-26 7.079e-26 -25.752 -25.150 0.602 28.61 Na 1.508e+00 Na+ 1.508e+00 2.155e+00 0.178 0.333 0.155 0.75 - NaOH 4.758e-18 1.902e-17 -17.323 -16.721 0.602 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.801 -42.199 0.602 30.40 @@ -13070,7 +12901,6 @@ H(0) 2.963e-26 H2 1.481e-26 7.079e-26 -25.829 -25.150 0.679 28.61 Na 1.976e+00 Na+ 1.976e+00 3.198e+00 0.296 0.505 0.209 0.83 - NaOH 5.764e-18 2.754e-17 -17.239 -16.560 0.679 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.900 -42.220 0.679 30.40 @@ -13145,7 +12975,6 @@ H(0) 3.130e-26 H2 1.565e-26 7.079e-26 -25.805 -25.150 0.655 28.61 Na 1.642e+00 Na+ 1.642e+00 2.557e+00 0.215 0.408 0.192 0.81 - NaOH 4.925e-18 2.228e-17 -17.308 -16.652 0.655 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.866 -42.210 0.655 30.40 @@ -13220,7 +13049,6 @@ H(0) 3.094e-26 H2 1.547e-26 7.079e-26 -25.810 -25.150 0.660 28.61 Na 1.651e+00 Na+ 1.651e+00 2.593e+00 0.218 0.414 0.196 0.81 - NaOH 4.929e-18 2.256e-17 -17.307 -16.647 0.660 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.872 -42.211 0.660 30.40 @@ -13295,7 +13123,6 @@ H(0) 3.744e-26 H2 1.872e-26 7.079e-26 -25.728 -25.150 0.578 28.61 Na 6.586e-01 Na+ 6.586e-01 9.059e-01 -0.181 -0.043 0.138 0.72 - NaOH 2.159e-18 8.166e-18 -17.666 -17.088 0.578 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.758 -42.181 0.578 30.40 @@ -13370,7 +13197,6 @@ H(0) 3.789e-26 H2 1.894e-26 7.079e-26 -25.723 -25.150 0.573 28.61 Na 5.727e-01 Na+ 5.727e-01 7.814e-01 -0.242 -0.107 0.135 0.71 - NaOH 1.890e-18 7.062e-18 -17.724 -17.151 0.573 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.751 -42.178 0.573 30.40 @@ -13445,7 +13271,6 @@ H(0) 2.891e-26 H2 1.446e-26 7.079e-26 -25.840 -25.150 0.690 28.61 Na 1.725e+00 Na+ 1.725e+00 2.840e+00 0.237 0.453 0.216 0.84 - NaOH 5.009e-18 2.453e-17 -17.300 -16.610 0.690 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.908 -42.218 0.690 30.40 @@ -13520,7 +13345,6 @@ H(0) 3.546e-26 H2 1.773e-26 7.079e-26 -25.751 -25.150 0.601 28.61 Na 8.003e-01 Na+ 8.003e-01 1.143e+00 -0.097 0.058 0.155 0.75 - NaOH 2.561e-18 1.023e-17 -17.592 -16.990 0.601 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.788 -42.187 0.601 30.40 @@ -13595,7 +13419,6 @@ H(0) 2.830e-26 H2 1.415e-26 7.079e-26 -25.849 -25.150 0.699 28.61 Na 1.752e+00 Na+ 1.752e+00 2.928e+00 0.244 0.467 0.223 0.85 - NaOH 5.043e-18 2.523e-17 -17.297 -16.598 0.699 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.919 -42.220 0.699 30.40 @@ -13670,7 +13493,6 @@ H(0) 2.578e-26 H2 1.289e-26 7.079e-26 -25.890 -25.150 0.740 28.61 Na 2.152e+00 Na+ 2.152e+00 3.840e+00 0.333 0.584 0.252 0.89 - NaOH 5.928e-18 3.256e-17 -17.227 -16.487 0.740 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.974 -42.234 0.740 30.40 @@ -13745,7 +13567,6 @@ H(0) 2.727e-26 H2 1.364e-26 7.079e-26 -25.865 -25.150 0.715 28.61 Na 1.792e+00 Na+ 1.792e+00 3.074e+00 0.253 0.488 0.234 0.87 - NaOH 5.081e-18 2.638e-17 -17.294 -16.579 0.715 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.939 -42.223 0.715 30.40 @@ -13820,7 +13641,6 @@ H(0) 2.688e-26 H2 1.344e-26 7.079e-26 -25.872 -25.150 0.722 28.61 Na 1.804e+00 Na+ 1.804e+00 3.126e+00 0.256 0.495 0.239 0.87 - NaOH 5.086e-18 2.679e-17 -17.294 -16.572 0.722 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.946 -42.225 0.722 30.40 @@ -13895,7 +13715,6 @@ H(0) 3.419e-26 H2 1.710e-26 7.079e-26 -25.767 -25.150 0.617 28.61 Na 7.035e-01 Na+ 7.035e-01 1.030e+00 -0.153 0.013 0.166 0.76 - NaOH 2.224e-18 9.209e-18 -17.653 -17.036 0.617 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.805 -42.188 0.617 30.40 @@ -13970,7 +13789,6 @@ H(0) 2.589e-26 H2 1.294e-26 7.079e-26 -25.888 -25.150 0.738 28.61 Na 1.849e+00 Na+ 1.849e+00 3.290e+00 0.267 0.517 0.250 0.89 - NaOH 5.133e-18 2.807e-17 -17.290 -16.552 0.738 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.966 -42.228 0.738 30.40 @@ -14045,7 +13863,6 @@ H(0) 2.413e-26 H2 1.207e-26 7.079e-26 -25.918 -25.150 0.768 28.61 Na 1.925e+00 Na+ 1.925e+00 3.600e+00 0.284 0.556 0.272 0.92 - NaOH 5.195e-18 3.048e-17 -17.284 -16.516 0.768 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.003 -42.235 0.768 30.40 @@ -14120,7 +13937,6 @@ H(0) 3.153e-26 H2 1.576e-26 7.079e-26 -25.802 -25.150 0.652 28.61 Na 7.437e-01 Na+ 7.437e-01 1.152e+00 -0.129 0.062 0.190 0.80 - NaOH 2.276e-18 1.022e-17 -17.643 -16.990 0.652 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.847 -42.195 0.652 30.40 @@ -14195,7 +14011,6 @@ H(0) 2.373e-26 H2 1.187e-26 7.079e-26 -25.926 -25.150 0.776 28.61 Na 1.939e+00 Na+ 1.939e+00 3.669e+00 0.288 0.565 0.277 0.93 - NaOH 5.199e-18 3.102e-17 -17.284 -16.508 0.776 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.012 -42.236 0.776 30.40 @@ -14270,7 +14085,6 @@ H(0) 2.115e-26 H2 1.057e-26 7.079e-26 -25.976 -25.150 0.826 28.61 Na 2.402e+00 Na+ 2.402e+00 4.933e+00 0.381 0.693 0.312 0.97 - NaOH 6.105e-18 4.088e-17 -17.214 -16.388 0.826 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.079 -42.254 0.826 30.40 @@ -14345,7 +14159,6 @@ H(0) 2.342e-26 H2 1.171e-26 7.079e-26 -25.931 -25.150 0.781 28.61 Na 1.958e+00 Na+ 1.958e+00 3.740e+00 0.292 0.573 0.281 0.93 - NaOH 5.220e-18 3.156e-17 -17.282 -16.501 0.781 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.019 -42.238 0.781 30.40 @@ -14420,7 +14233,6 @@ H(0) 2.969e-26 H2 1.484e-26 7.079e-26 -25.828 -25.150 0.678 28.61 Na 9.031e-01 Na+ 9.031e-01 1.460e+00 -0.044 0.164 0.208 0.83 - NaOH 2.692e-18 1.284e-17 -17.570 -16.891 0.678 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.880 -42.202 0.678 30.40 @@ -14495,7 +14307,6 @@ H(0) 3.118e-26 H2 1.559e-26 7.079e-26 -25.807 -25.150 0.657 28.61 Na 6.573e-01 Na+ 6.573e-01 1.026e+00 -0.182 0.011 0.194 0.81 - NaOH 2.007e-18 9.113e-18 -17.698 -17.040 0.657 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.851 -42.194 0.657 30.40 @@ -14570,7 +14381,6 @@ H(0) 2.210e-26 H2 1.105e-26 7.079e-26 -25.957 -25.150 0.807 28.61 Na 2.021e+00 Na+ 2.021e+00 4.023e+00 0.306 0.605 0.299 0.95 - NaOH 5.264e-18 3.373e-17 -17.279 -16.472 0.807 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.050 -42.243 0.807 30.40 @@ -14645,7 +14455,6 @@ H(0) 2.721e-26 H2 1.360e-26 7.079e-26 -25.866 -25.150 0.716 28.61 Na 7.165e-01 Na+ 7.165e-01 1.231e+00 -0.145 0.090 0.235 0.87 - NaOH 2.073e-18 1.079e-17 -17.683 -16.967 0.716 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.921 -42.205 0.716 30.40 @@ -14720,7 +14529,6 @@ H(0) 2.497e-26 H2 1.249e-26 7.079e-26 -25.904 -25.150 0.754 28.61 Na 1.003e+00 Na+ 1.003e+00 1.830e+00 0.001 0.263 0.261 0.90 - NaOH 2.793e-18 1.584e-17 -17.554 -16.800 0.754 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.970 -42.216 0.754 30.40 @@ -14795,7 +14603,6 @@ H(0) 2.532e-26 H2 1.266e-26 7.079e-26 -25.898 -25.150 0.748 28.61 Na 8.522e-01 Na+ 8.522e-01 1.540e+00 -0.069 0.188 0.257 0.90 - NaOH 2.393e-18 1.338e-17 -17.621 -16.873 0.748 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.960 -42.213 0.748 30.40 @@ -14870,7 +14677,6 @@ H(0) 2.193e-26 H2 1.097e-26 7.079e-26 -25.960 -25.150 0.810 28.61 Na 9.233e-01 Na+ 9.233e-01 1.847e+00 -0.035 0.267 0.301 0.96 - NaOH 2.452e-18 1.583e-17 -17.610 -16.801 0.810 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.035 -42.225 0.810 30.40 @@ -14945,7 +14751,6 @@ H(0) 2.099e-26 H2 1.049e-26 7.079e-26 -25.979 -25.150 0.829 28.61 Na 8.292e-01 Na+ 8.292e-01 1.712e+00 -0.081 0.233 0.315 0.97 - NaOH 2.170e-18 1.464e-17 -17.664 -16.834 0.829 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.055 -42.226 0.829 30.40 @@ -15020,7 +14825,6 @@ H(0) 1.951e-26 H2 9.755e-27 7.079e-26 -26.011 -25.150 0.861 28.61 Na 1.146e+00 Na+ 1.146e+00 2.491e+00 0.059 0.396 0.337 1.00 - NaOH 2.899e-18 2.104e-17 -17.538 -16.677 0.861 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.098 -42.237 0.861 30.40 @@ -15095,7 +14899,6 @@ H(0) 1.816e-26 H2 9.078e-27 7.079e-26 -26.042 -25.150 0.892 28.61 Na 1.187e+00 Na+ 1.187e+00 2.718e+00 0.075 0.434 0.360 1.03 - NaOH 2.921e-18 2.278e-17 -17.534 -16.642 0.892 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.136 -42.244 0.892 30.40 @@ -15170,7 +14973,6 @@ H(0) 1.842e-26 H2 9.212e-27 7.079e-26 -26.036 -25.150 0.886 28.61 Na 8.858e-01 Na+ 8.858e-01 2.007e+00 -0.053 0.302 0.355 1.02 - NaOH 2.205e-18 1.695e-17 -17.657 -16.771 0.886 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.123 -42.237 0.886 30.40 @@ -15245,7 +15047,6 @@ H(0) 1.764e-26 H2 8.821e-27 7.079e-26 -26.054 -25.150 0.904 28.61 Na 1.031e+00 Na+ 1.031e+00 2.409e+00 0.013 0.382 0.369 1.04 - NaOH 2.518e-18 2.021e-17 -17.599 -16.694 0.904 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.148 -42.243 0.904 30.40 @@ -15320,7 +15121,6 @@ H(0) 1.504e-26 H2 7.522e-27 7.079e-26 -26.124 -25.150 0.974 28.61 Na 1.110e+00 Na+ 1.110e+00 2.907e+00 0.045 0.463 0.418 1.10 - NaOH 2.550e-18 2.400e-17 -17.593 -16.620 0.974 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.231 -42.257 0.974 30.40 @@ -15395,7 +15195,6 @@ H(0) 1.548e-26 H2 7.738e-27 7.079e-26 -26.111 -25.150 0.961 28.61 Na 9.616e-01 Na+ 9.616e-01 2.468e+00 -0.017 0.392 0.409 1.09 - NaOH 2.240e-18 2.049e-17 -17.650 -16.688 0.961 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.214 -42.252 0.961 30.40 @@ -15470,7 +15269,6 @@ H(0) 1.379e-26 H2 6.895e-27 7.079e-26 -26.161 -25.150 1.011 28.61 Na 1.012e+00 Na+ 1.012e+00 2.821e+00 0.005 0.450 0.445 1.13 - NaOH 2.255e-18 2.315e-17 -17.647 -16.635 1.011 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.274 -42.262 1.011 30.40 @@ -15545,7 +15343,6 @@ H(0) 1.325e-26 H2 6.623e-27 7.079e-26 -26.179 -25.150 1.029 28.61 Na 1.029e+00 Na+ 1.029e+00 2.954e+00 0.012 0.470 0.458 1.14 - NaOH 2.259e-18 2.415e-17 -17.646 -16.617 1.029 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.295 -42.266 1.029 30.40 @@ -15620,7 +15417,6 @@ H(0) 1.177e-26 H2 5.884e-27 7.079e-26 -26.230 -25.150 1.080 28.61 Na 1.081e+00 Na+ 1.081e+00 3.379e+00 0.034 0.529 0.495 1.18 - NaOH 2.268e-18 2.729e-17 -17.644 -16.564 1.080 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.356 -42.276 1.080 30.40 @@ -15695,7 +15491,6 @@ H(0) 1.080e-26 H2 5.398e-27 7.079e-26 -26.268 -25.150 1.118 28.61 Na 1.118e+00 Na+ 1.118e+00 3.720e+00 0.048 0.571 0.522 1.21 - NaOH 2.271e-18 2.978e-17 -17.644 -16.526 1.118 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.401 -42.284 1.118 30.40 @@ -15969,7 +15764,6 @@ H(0) 5.740e-26 H2 2.870e-26 5.675e-26 -25.542 -25.246 0.296 28.59 Na 2.662e+00 Na+ 2.662e+00 2.334e+00 0.425 0.368 -0.057 1.03 - NaOH 5.504e-17 1.088e-16 -16.259 -15.963 0.296 (0) O(0) 1.578e-35 O2 7.891e-36 1.560e-35 -35.103 -34.807 0.296 31.88 @@ -16044,7 +15838,6 @@ H(0) 3.545e-26 H2 1.773e-26 5.675e-26 -25.751 -25.246 0.505 28.59 Na 4.453e+00 Na+ 4.453e+00 5.334e+00 0.649 0.727 0.078 1.29 - NaOH 7.202e-17 2.305e-16 -16.143 -15.637 0.505 (0) O(0) 8.377e-36 O2 4.189e-36 1.341e-35 -35.378 -34.873 0.505 31.88 @@ -16119,7 +15912,6 @@ H(0) 5.685e-26 H2 2.842e-26 5.675e-26 -25.546 -25.246 0.300 28.59 Na 2.376e+00 Na+ 2.376e+00 2.096e+00 0.376 0.321 -0.055 1.04 - NaOH 4.917e-17 9.817e-17 -16.308 -16.008 0.300 (0) O(0) 1.577e-35 O2 7.887e-36 1.575e-35 -35.103 -34.803 0.300 31.88 @@ -16194,7 +15986,6 @@ H(0) 5.754e-26 H2 2.877e-26 5.675e-26 -25.541 -25.246 0.295 28.59 Na 2.067e+00 Na+ 2.067e+00 1.809e+00 0.315 0.258 -0.058 1.03 - NaOH 4.326e-17 8.533e-17 -16.364 -16.069 0.295 (0) O(0) 1.618e-35 O2 8.091e-36 1.596e-35 -35.092 -34.797 0.295 31.88 @@ -16236,7 +16027,7 @@ Initial solution 5. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 49°C) = 317802 + Specific Conductance (µS/cm, 49°C) = 317801 Density (g/cm³) = 1.14929 Volume (L) = 1.10709 Viscosity (mPa s) = 0.64333 @@ -16269,7 +16060,6 @@ H(0) 3.551e-26 H2 1.775e-26 5.675e-26 -25.751 -25.246 0.505 28.59 Na 3.994e+00 Na+ 3.994e+00 4.779e+00 0.601 0.679 0.078 1.29 - NaOH 6.524e-17 2.085e-16 -16.186 -15.681 0.505 (0) O(0) 8.548e-36 O2 4.274e-36 1.366e-35 -35.369 -34.864 0.505 31.88 @@ -16344,7 +16134,6 @@ H(0) 5.642e-26 H2 2.821e-26 5.675e-26 -25.550 -25.246 0.304 28.59 Na 1.759e+00 Na+ 1.759e+00 1.558e+00 0.245 0.193 -0.053 1.04 - NaOH 3.669e-17 7.380e-17 -16.435 -16.132 0.304 (0) O(0) 1.600e-35 O2 8.000e-36 1.609e-35 -35.097 -34.793 0.304 31.88 @@ -16419,7 +16208,6 @@ H(0) 3.720e-26 H2 1.860e-26 5.675e-26 -25.731 -25.246 0.484 28.59 Na 3.362e+00 Na+ 3.362e+00 3.900e+00 0.527 0.591 0.064 1.27 - NaOH 5.669e-17 1.730e-16 -16.246 -15.762 0.484 (0) O(0) 9.257e-36 O2 4.629e-36 1.412e-35 -35.335 -34.850 0.484 31.88 @@ -16494,7 +16282,6 @@ H(0) 5.474e-26 H2 2.737e-26 5.675e-26 -25.563 -25.246 0.317 28.59 Na 1.451e+00 Na+ 1.451e+00 1.310e+00 0.162 0.117 -0.044 1.06 - NaOH 3.002e-17 6.224e-17 -16.523 -16.206 0.317 (0) O(0) 1.562e-35 O2 7.812e-36 1.620e-35 -35.107 -34.791 0.317 31.88 @@ -16569,7 +16356,6 @@ H(0) 3.694e-26 H2 1.847e-26 5.675e-26 -25.734 -25.246 0.487 28.59 Na 2.883e+00 Na+ 2.883e+00 3.359e+00 0.460 0.526 0.066 1.27 - NaOH 4.893e-17 1.503e-16 -16.310 -15.823 0.487 (0) O(0) 9.358e-36 O2 4.679e-36 1.438e-35 -35.330 -34.842 0.487 31.88 @@ -16644,7 +16430,6 @@ H(0) 5.426e-26 H2 2.713e-26 5.675e-26 -25.567 -25.246 0.320 28.59 Na 1.202e+00 Na+ 1.202e+00 1.091e+00 0.080 0.038 -0.042 1.07 - NaOH 2.488e-17 5.204e-17 -16.604 -16.284 0.320 (0) O(0) 1.561e-35 O2 7.804e-36 1.632e-35 -35.108 -34.787 0.320 31.88 @@ -16719,7 +16504,6 @@ H(0) 5.691e-26 H2 2.845e-26 5.675e-26 -25.546 -25.246 0.300 28.59 Na 8.655e-01 Na+ 8.655e-01 7.629e-01 -0.063 -0.118 -0.055 1.04 - NaOH 1.843e-17 3.675e-17 -16.735 -16.435 0.300 (0) O(0) 1.670e-35 O2 8.349e-36 1.665e-35 -35.078 -34.779 0.300 31.88 @@ -16794,7 +16578,6 @@ H(0) 3.713e-26 H2 1.857e-26 5.675e-26 -25.731 -25.246 0.485 28.59 Na 2.389e+00 Na+ 2.389e+00 2.774e+00 0.378 0.443 0.065 1.27 - NaOH 4.103e-17 1.254e-16 -16.387 -15.902 0.485 (0) O(0) 9.598e-36 O2 4.799e-36 1.467e-35 -35.319 -34.834 0.485 31.88 @@ -16869,7 +16652,6 @@ H(0) 5.658e-26 H2 2.829e-26 5.675e-26 -25.548 -25.246 0.302 28.59 Na 5.896e-01 Na+ 5.896e-01 5.215e-01 -0.229 -0.283 -0.053 1.04 - NaOH 1.258e-17 2.524e-17 -16.900 -16.598 0.302 (0) O(0) 1.676e-35 O2 8.378e-36 1.680e-35 -35.077 -34.775 0.302 31.88 @@ -16944,7 +16726,6 @@ H(0) 3.718e-26 H2 1.859e-26 5.675e-26 -25.731 -25.246 0.485 28.59 Na 1.949e+00 Na+ 1.949e+00 2.261e+00 0.290 0.354 0.065 1.27 - NaOH 3.378e-17 1.031e-16 -16.471 -15.987 0.485 (0) O(0) 9.776e-36 O2 4.888e-36 1.492e-35 -35.311 -34.826 0.485 31.88 @@ -17019,7 +16800,6 @@ H(0) 5.758e-26 H2 2.879e-26 5.675e-26 -25.541 -25.246 0.295 28.59 Na 2.879e-01 Na+ 2.879e-01 2.519e-01 -0.541 -0.599 -0.058 1.03 - NaOH 6.228e-18 1.228e-17 -17.206 -16.911 0.295 (0) O(0) 1.729e-35 O2 8.643e-36 1.703e-35 -35.063 -34.769 0.295 31.88 @@ -17094,7 +16874,6 @@ H(0) 3.639e-26 H2 1.819e-26 5.675e-26 -25.740 -25.246 0.494 28.59 Na 1.436e+00 Na+ 1.436e+00 1.690e+00 0.157 0.228 0.071 1.28 - NaOH 2.491e-17 7.769e-17 -16.604 -16.110 0.494 (0) O(0) 9.724e-36 O2 4.862e-36 1.516e-35 -35.313 -34.819 0.494 31.88 @@ -17169,7 +16948,6 @@ H(0) 3.711e-26 H2 1.855e-26 5.675e-26 -25.732 -25.246 0.486 28.59 Na 9.398e-01 Na+ 9.398e-01 1.092e+00 -0.027 0.038 0.065 1.27 - NaOH 1.659e-17 5.074e-17 -16.780 -16.295 0.486 (0) O(0) 1.014e-35 O2 5.068e-36 1.550e-35 -35.295 -34.810 0.486 31.88 @@ -17244,7 +17022,6 @@ H(0) 3.694e-26 H2 1.847e-26 5.675e-26 -25.734 -25.246 0.488 28.59 Na 4.917e-01 Na+ 4.917e-01 5.729e-01 -0.308 -0.242 0.066 1.27 - NaOH 8.736e-18 2.684e-17 -17.059 -16.571 0.488 (0) O(0) 1.025e-35 O2 5.127e-36 1.575e-35 -35.290 -34.803 0.488 31.88 @@ -17518,7 +17295,6 @@ H(0) 3.968e-26 H2 1.984e-26 3.923e-26 -25.702 -25.406 0.296 28.57 Na 2.662e+00 Na+ 2.662e+00 2.189e+00 0.425 0.340 -0.085 2.08 - NaOH 5.576e-16 1.102e-15 -15.254 -14.958 0.296 (0) O(0) 3.043e-23 O2 1.522e-23 3.009e-23 -22.818 -22.522 0.296 33.86 @@ -17560,7 +17336,7 @@ Initial solution 2. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 550841 + Specific Conductance (µS/cm, 99°C) = 550840 Density (g/cm³) = 1.11956 Volume (L) = 1.14548 Viscosity (mPa s) = 0.31616 @@ -17593,7 +17369,6 @@ H(0) 2.451e-26 H2 1.226e-26 3.923e-26 -25.912 -25.406 0.505 28.57 Na 4.453e+00 Na+ 4.453e+00 4.983e+00 0.649 0.697 0.049 2.29 - NaOH 7.268e-16 2.327e-15 -15.139 -14.633 0.505 (0) O(0) 1.615e-23 O2 8.076e-24 2.585e-23 -23.093 -22.587 0.505 33.86 @@ -17668,7 +17443,6 @@ H(0) 3.930e-26 H2 1.965e-26 3.923e-26 -25.707 -25.406 0.300 28.57 Na 2.376e+00 Na+ 2.376e+00 1.965e+00 0.376 0.293 -0.082 2.09 - NaOH 4.980e-16 9.944e-16 -15.303 -15.002 0.300 (0) O(0) 3.042e-23 O2 1.521e-23 3.036e-23 -22.818 -22.518 0.300 33.86 @@ -17710,7 +17484,7 @@ Initial solution 4. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 350800 + Specific Conductance (µS/cm, 99°C) = 350799 Density (g/cm³) = 1.05538 Volume (L) = 1.09295 Viscosity (mPa s) = 0.32295 @@ -17743,7 +17517,6 @@ H(0) 3.978e-26 H2 1.989e-26 3.923e-26 -25.701 -25.406 0.295 28.57 Na 2.067e+00 Na+ 2.067e+00 1.697e+00 0.315 0.230 -0.086 2.08 - NaOH 4.382e-16 8.644e-16 -15.358 -15.063 0.295 (0) O(0) 3.120e-23 O2 1.560e-23 3.077e-23 -22.807 -22.512 0.295 33.86 @@ -17818,7 +17591,6 @@ H(0) 2.455e-26 H2 1.227e-26 3.923e-26 -25.911 -25.406 0.505 28.57 Na 3.994e+00 Na+ 3.994e+00 4.465e+00 0.601 0.650 0.048 2.29 - NaOH 6.583e-16 2.104e-15 -15.182 -14.677 0.505 (0) O(0) 1.648e-23 O2 8.242e-24 2.634e-23 -23.084 -22.579 0.505 33.86 @@ -17863,7 +17635,7 @@ Initial solution 6. Specific Conductance (µS/cm, 99°C) = 354152 Density (g/cm³) = 1.05552 Volume (L) = 1.08952 - Viscosity (mPa s) = 0.33674 + Viscosity (mPa s) = 0.33675 Activity of water = 0.918 Ionic strength (mol/kgw) = 3.035e+00 Mass of water (kg) = 1.000e+00 @@ -17893,7 +17665,6 @@ H(0) 3.901e-26 H2 1.950e-26 3.923e-26 -25.710 -25.406 0.304 28.57 Na 1.759e+00 Na+ 1.759e+00 1.461e+00 0.245 0.165 -0.081 2.09 - NaOH 3.716e-16 7.474e-16 -15.430 -15.126 0.304 (0) O(0) 3.085e-23 O2 1.543e-23 3.103e-23 -22.812 -22.508 0.304 33.86 @@ -17968,7 +17739,6 @@ H(0) 2.571e-26 H2 1.286e-26 3.923e-26 -25.891 -25.406 0.484 28.57 Na 3.362e+00 Na+ 3.362e+00 3.644e+00 0.527 0.562 0.035 2.27 - NaOH 5.723e-16 1.746e-15 -15.242 -14.758 0.484 (0) O(0) 1.785e-23 O2 8.925e-24 2.723e-23 -23.049 -22.565 0.484 33.86 @@ -18010,7 +17780,7 @@ Initial solution 8. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 360800 + Specific Conductance (µS/cm, 99°C) = 360799 Density (g/cm³) = 1.05686 Volume (L) = 1.08651 Viscosity (mPa s) = 0.35233 @@ -18019,7 +17789,7 @@ Initial solution 8. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.125e-05 Temperature (°C) = 99.00 - Electrical balance (eq) = -5.371e-12 + Electrical balance (eq) = -5.370e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -18043,7 +17813,6 @@ H(0) 3.784e-26 H2 1.892e-26 3.923e-26 -25.723 -25.406 0.317 28.57 Na 1.451e+00 Na+ 1.451e+00 1.228e+00 0.162 0.089 -0.073 2.11 - NaOH 3.039e-16 6.302e-16 -15.517 -15.201 0.317 (0) O(0) 3.013e-23 O2 1.506e-23 3.123e-23 -22.822 -22.505 0.317 33.86 @@ -18085,7 +17854,7 @@ Initial solution 9. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 501133 + Specific Conductance (µS/cm, 99°C) = 501132 Density (g/cm³) = 1.10693 Volume (L) = 1.12216 Viscosity (mPa s) = 0.36580 @@ -18118,7 +17887,6 @@ H(0) 2.554e-26 H2 1.277e-26 3.923e-26 -25.894 -25.406 0.487 28.57 Na 2.883e+00 Na+ 2.883e+00 3.138e+00 0.460 0.497 0.037 2.27 - NaOH 4.939e-16 1.517e-15 -15.306 -14.819 0.487 (0) O(0) 1.805e-23 O2 9.023e-24 2.772e-23 -23.045 -22.557 0.487 33.86 @@ -18193,7 +17961,6 @@ H(0) 3.751e-26 H2 1.876e-26 3.923e-26 -25.727 -25.406 0.320 28.57 Na 1.202e+00 Na+ 1.202e+00 1.023e+00 0.080 0.010 -0.070 2.11 - NaOH 2.519e-16 5.268e-16 -15.599 -15.278 0.320 (0) O(0) 3.010e-23 O2 1.505e-23 3.148e-23 -22.822 -22.502 0.320 33.86 @@ -18244,7 +18011,7 @@ Initial solution 11. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.138e-05 Temperature (°C) = 99.00 - Electrical balance (eq) = 7.660e-15 + Electrical balance (eq) = 7.882e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -18268,7 +18035,6 @@ H(0) 3.934e-26 H2 1.967e-26 3.923e-26 -25.706 -25.406 0.300 28.57 Na 8.655e-01 Na+ 8.655e-01 7.153e-01 -0.063 -0.145 -0.083 2.09 - NaOH 1.866e-16 3.722e-16 -15.729 -15.429 0.300 (0) O(0) 3.220e-23 O2 1.610e-23 3.211e-23 -22.793 -22.493 0.300 33.86 @@ -18310,7 +18076,7 @@ Initial solution 12. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 488937 + Specific Conductance (µS/cm, 99°C) = 488936 Density (g/cm³) = 1.10364 Volume (L) = 1.11517 Viscosity (mPa s) = 0.38277 @@ -18343,7 +18109,6 @@ H(0) 2.567e-26 H2 1.284e-26 3.923e-26 -25.892 -25.406 0.485 28.57 Na 2.389e+00 Na+ 2.389e+00 2.592e+00 0.378 0.414 0.035 2.27 - NaOH 4.142e-16 1.266e-15 -15.383 -14.898 0.485 (0) O(0) 1.851e-23 O2 9.254e-24 2.828e-23 -23.034 -22.548 0.485 33.86 @@ -18385,7 +18150,7 @@ Initial solution 13. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 338390 + Specific Conductance (µS/cm, 99°C) = 338389 Density (g/cm³) = 1.04750 Volume (L) = 1.07349 Viscosity (mPa s) = 0.37730 @@ -18394,7 +18159,7 @@ Initial solution 13. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.147e-05 Temperature (°C) = 99.00 - Electrical balance (eq) = 1.933e-14 + Electrical balance (eq) = 1.977e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 @@ -18418,7 +18183,6 @@ H(0) 3.912e-26 H2 1.956e-26 3.923e-26 -25.709 -25.406 0.302 28.57 Na 5.896e-01 Na+ 5.896e-01 4.890e-01 -0.229 -0.311 -0.081 2.09 - NaOH 1.274e-16 2.556e-16 -15.895 -15.592 0.302 (0) O(0) 3.231e-23 O2 1.615e-23 3.240e-23 -22.792 -22.489 0.302 33.86 @@ -18460,7 +18224,7 @@ Initial solution 14. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 479312 + Specific Conductance (µS/cm, 99°C) = 479311 Density (g/cm³) = 1.10102 Volume (L) = 1.10908 Viscosity (mPa s) = 0.39859 @@ -18469,7 +18233,7 @@ Initial solution 14. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.144e-05 Temperature (°C) = 99.00 - Electrical balance (eq) = -4.182e-13 + Electrical balance (eq) = -4.185e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -18493,7 +18257,6 @@ H(0) 2.570e-26 H2 1.285e-26 3.923e-26 -25.891 -25.406 0.485 28.57 Na 1.949e+00 Na+ 1.949e+00 2.113e+00 0.290 0.325 0.035 2.27 - NaOH 3.410e-16 1.041e-15 -15.467 -14.983 0.485 (0) O(0) 1.885e-23 O2 9.425e-24 2.877e-23 -23.026 -22.541 0.485 33.86 @@ -18568,7 +18331,6 @@ H(0) 3.981e-26 H2 1.990e-26 3.923e-26 -25.701 -25.406 0.295 28.57 Na 2.879e-01 Na+ 2.879e-01 2.363e-01 -0.541 -0.627 -0.086 2.08 - NaOH 6.309e-17 1.243e-16 -16.200 -15.905 0.295 (0) O(0) 3.333e-23 O2 1.667e-23 3.285e-23 -22.778 -22.483 0.295 33.86 @@ -18619,7 +18381,7 @@ Initial solution 16. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.161e-05 Temperature (°C) = 99.00 - Electrical balance (eq) = -8.671e-14 + Electrical balance (eq) = -8.738e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -18643,7 +18405,6 @@ H(0) 2.516e-26 H2 1.258e-26 3.923e-26 -25.900 -25.406 0.494 28.57 Na 1.436e+00 Na+ 1.436e+00 1.579e+00 0.157 0.198 0.041 2.28 - NaOH 2.514e-16 7.841e-16 -15.600 -15.106 0.494 (0) O(0) 1.875e-23 O2 9.375e-24 2.924e-23 -23.028 -22.534 0.494 33.86 @@ -18685,7 +18446,7 @@ Initial solution 17. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 459491 + Specific Conductance (µS/cm, 99°C) = 459490 Density (g/cm³) = 1.09539 Volume (L) = 1.09530 Viscosity (mPa s) = 0.43626 @@ -18694,7 +18455,7 @@ Initial solution 17. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.176e-05 Temperature (°C) = 99.00 - Electrical balance (eq) = -2.410e-15 + Electrical balance (eq) = -3.298e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110124e+02 @@ -18718,7 +18479,6 @@ H(0) 2.565e-26 H2 1.283e-26 3.923e-26 -25.892 -25.406 0.486 28.57 Na 9.398e-01 Na+ 9.398e-01 1.020e+00 -0.027 0.009 0.036 2.27 - NaOH 1.674e-16 5.122e-16 -15.776 -15.291 0.486 (0) O(0) 1.954e-23 O2 9.772e-24 2.989e-23 -23.010 -22.524 0.486 33.86 @@ -18793,7 +18553,6 @@ H(0) 2.553e-26 H2 1.277e-26 3.923e-26 -25.894 -25.406 0.488 28.57 Na 4.917e-01 Na+ 4.917e-01 5.354e-01 -0.308 -0.271 0.037 2.27 - NaOH 8.818e-17 2.710e-16 -16.055 -15.567 0.488 (0) O(0) 1.977e-23 O2 9.886e-24 3.038e-23 -23.005 -22.517 0.488 33.86 diff --git a/mytest/rho_H3PO4_101.sel b/mytest/rho_H3PO4_101.sel index 4ae2143d4..536f36247 100644 --- a/mytest/rho_H3PO4_101.sel +++ b/mytest/rho_H3PO4_101.sel @@ -153,7 +153,7 @@ 0.255887600070 62650.7313701841 0.323491447719 62308.6791122585 0.408730139842 57502.0192817753 - 0.000000317701 0.2522519178 + 0.000000317701 0.2522519168 0.053203422632 26175.4979242417 0.083164506512 38474.0182936460 0.132769087051 53831.3663461871 @@ -161,7 +161,7 @@ 0.231883223978 66708.6762851812 0.292970332353 66205.2286436792 0.369899220114 60950.2209766636 - 0.000000524161 0.4763225745 + 0.000000524161 0.4763225666 0.048885965448 27191.0419067454 0.076324199034 39897.2099262142 0.121759685097 55758.6470859944 diff --git a/mytest/rho_MgCaCl.out b/mytest/rho_MgCaCl.out index b6909cee2..d641af940 100644 --- a/mytest/rho_MgCaCl.out +++ b/mytest/rho_MgCaCl.out @@ -3261,7 +3261,7 @@ Initial solution 1. Specific Conductance (µS/cm, 74°C) = 255651 Density (g/cm³) = 1.05552 Volume (L) = 1.04837 - Viscosity (mPa s) = 0.52699 + Viscosity (mPa s) = 0.52700 Activity of water = 0.950 Ionic strength (mol/kgw) = 2.922e+00 Mass of water (kg) = 1.000e+00 @@ -3333,7 +3333,7 @@ Initial solution 2. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 74°C) = 255994 + Specific Conductance (µS/cm, 74°C) = 255993 Density (g/cm³) = 1.05569 Volume (L) = 1.04821 Viscosity (mPa s) = 0.53190 @@ -3483,7 +3483,7 @@ Initial solution 4. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 74°C) = 254397 + Specific Conductance (µS/cm, 74°C) = 254396 Density (g/cm³) = 1.05506 Volume (L) = 1.04759 Viscosity (mPa s) = 0.53913 @@ -4461,7 +4461,7 @@ Initial solution 17. Specific Conductance (µS/cm, 74°C) = 306211 Density (g/cm³) = 1.08327 Volume (L) = 1.05634 - Viscosity (mPa s) = 0.64074 + Viscosity (mPa s) = 0.64075 Activity of water = 0.925 Ionic strength (mol/kgw) = 4.393e+00 Mass of water (kg) = 1.000e+00 @@ -4882,7 +4882,7 @@ Initial solution 2. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 322589 + Specific Conductance (µS/cm, 99°C) = 322588 Density (g/cm³) = 1.04020 Volume (L) = 1.06380 Viscosity (mPa s) = 0.39825 @@ -5107,7 +5107,7 @@ Initial solution 5. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 305263 + Specific Conductance (µS/cm, 99°C) = 305262 Density (g/cm³) = 1.03435 Volume (L) = 1.06103 Viscosity (mPa s) = 0.39900 @@ -5257,7 +5257,7 @@ Initial solution 7. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 291751 + Specific Conductance (µS/cm, 99°C) = 291750 Density (g/cm³) = 1.02986 Volume (L) = 1.05909 Viscosity (mPa s) = 0.39817 @@ -5632,7 +5632,7 @@ Initial solution 12. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 422758 + Specific Conductance (µS/cm, 99°C) = 422757 Density (g/cm³) = 1.08113 Volume (L) = 1.07769 Viscosity (mPa s) = 0.47001 @@ -5785,7 +5785,7 @@ Initial solution 14. Specific Conductance (µS/cm, 99°C) = 408628 Density (g/cm³) = 1.07558 Volume (L) = 1.07470 - Viscosity (mPa s) = 0.47121 + Viscosity (mPa s) = 0.47122 Activity of water = 0.923 Ionic strength (mol/kgw) = 4.523e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/rho_MgNaCl.out b/mytest/rho_MgNaCl.out index e671136bf..adf792316 100644 --- a/mytest/rho_MgNaCl.out +++ b/mytest/rho_MgNaCl.out @@ -197,7 +197,6 @@ Mg 8.592e-01 MgOH+ 2.184e-05 1.421e-05 -4.661 -4.847 -0.187 (0) Na 2.767e-01 Na+ 2.767e-01 2.449e-01 -0.558 -0.611 -0.053 0.40 - NaOH 1.131e-18 2.182e-18 -17.947 -17.661 0.285 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.745 -42.459 0.285 30.31 @@ -273,7 +272,6 @@ Mg 7.440e-01 MgOH+ 1.849e-05 1.204e-05 -4.733 -4.919 -0.186 (0) Na 5.765e-01 Na+ 5.765e-01 5.069e-01 -0.239 -0.295 -0.056 0.38 - NaOH 2.355e-18 4.495e-18 -17.628 -17.347 0.281 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.744 -42.463 0.281 30.31 @@ -349,7 +347,6 @@ Mg 6.791e-01 MgOH+ 1.718e-05 1.117e-05 -4.765 -4.952 -0.187 (0) Na 8.312e-01 Na+ 8.312e-01 7.370e-01 -0.080 -0.133 -0.052 0.41 - NaOH 3.357e-18 6.499e-18 -17.474 -17.187 0.287 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.755 -42.468 0.287 30.31 @@ -425,7 +422,6 @@ Mg 5.785e-01 MgOH+ 1.442e-05 9.382e-06 -4.841 -5.028 -0.187 (0) Na 1.106e+00 Na+ 1.106e+00 9.770e-01 0.044 -0.010 -0.054 0.40 - NaOH 4.458e-18 8.576e-18 -17.351 -17.067 0.284 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.756 -42.472 0.284 30.31 @@ -501,7 +497,6 @@ Mg 4.724e-01 MgOH+ 1.170e-05 7.616e-06 -4.932 -5.118 -0.187 (0) Na 1.424e+00 Na+ 1.424e+00 1.258e+00 0.153 0.100 -0.054 0.40 - NaOH 5.706e-18 1.098e-17 -17.244 -16.960 0.284 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.761 -42.477 0.284 30.31 @@ -577,7 +572,6 @@ Mg 3.769e-01 MgOH+ 9.302e-06 6.052e-06 -5.031 -5.218 -0.187 (0) Na 1.715e+00 Na+ 1.715e+00 1.516e+00 0.234 0.181 -0.054 0.40 - NaOH 6.833e-18 1.316e-17 -17.165 -16.881 0.285 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.767 -42.482 0.285 30.31 @@ -653,7 +647,6 @@ Mg 3.107e-01 MgOH+ 7.814e-06 5.079e-06 -5.107 -5.294 -0.187 (0) Na 1.977e+00 Na+ 1.977e+00 1.762e+00 0.296 0.246 -0.050 0.42 - NaOH 7.783e-18 1.521e-17 -17.109 -16.818 0.291 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.778 -42.487 0.291 30.31 @@ -729,7 +722,6 @@ Mg 1.951e-01 MgOH+ 4.871e-06 3.166e-06 -5.312 -5.499 -0.187 (0) Na 2.321e+00 Na+ 2.321e+00 2.069e+00 0.366 0.316 -0.050 0.42 - NaOH 9.085e-18 1.774e-17 -17.042 -16.751 0.291 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.783 -42.493 0.291 30.31 @@ -805,7 +797,6 @@ Mg 1.048e-01 MgOH+ 2.658e-06 1.726e-06 -5.575 -5.763 -0.187 (0) Na 2.649e+00 Na+ 2.649e+00 2.380e+00 0.423 0.377 -0.046 0.44 - NaOH 1.024e-17 2.026e-17 -16.990 -16.693 0.296 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.795 -42.499 0.296 30.31 @@ -881,7 +872,6 @@ Mg 1.282e+00 MgOH+ 5.629e-05 3.598e-05 -4.250 -4.444 -0.194 (0) Na 4.153e-01 Na+ 4.153e-01 4.518e-01 -0.382 -0.345 0.037 0.89 - NaOH 1.467e-18 3.913e-18 -17.834 -17.407 0.426 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.910 -42.484 0.426 30.31 @@ -957,7 +947,6 @@ Mg 1.206e+00 MgOH+ 5.706e-05 3.640e-05 -4.244 -4.439 -0.195 (0) Na 8.498e-01 Na+ 8.498e-01 9.539e-01 -0.071 -0.020 0.050 0.96 - NaOH 2.918e-18 8.165e-18 -17.535 -17.088 0.447 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.941 -42.494 0.447 30.31 @@ -1033,7 +1022,6 @@ Mg 1.052e+00 MgOH+ 4.882e-05 3.115e-05 -4.311 -4.507 -0.195 (0) Na 1.282e+00 Na+ 1.282e+00 1.433e+00 0.108 0.156 0.048 0.95 - NaOH 4.380e-18 1.217e-17 -17.359 -16.915 0.444 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.945 -42.501 0.444 30.31 @@ -1109,7 +1097,6 @@ Mg 8.856e-01 MgOH+ 4.138e-05 2.640e-05 -4.383 -4.578 -0.195 (0) Na 1.827e+00 Na+ 1.827e+00 2.056e+00 0.262 0.313 0.051 0.96 - NaOH 6.152e-18 1.727e-17 -17.211 -16.763 0.448 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.959 -42.511 0.448 30.31 @@ -1185,7 +1172,6 @@ Mg 7.640e-01 MgOH+ 3.711e-05 2.365e-05 -4.430 -4.626 -0.196 (0) Na 2.311e+00 Na+ 2.311e+00 2.648e+00 0.364 0.423 0.059 1.00 - NaOH 7.620e-18 2.199e-17 -17.118 -16.658 0.460 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.981 -42.521 0.460 30.31 @@ -1261,7 +1247,6 @@ Mg 6.180e-01 MgOH+ 3.046e-05 1.940e-05 -4.516 -4.712 -0.196 (0) Na 2.809e+00 Na+ 2.809e+00 3.248e+00 0.449 0.512 0.063 1.02 - NaOH 9.121e-18 2.669e-17 -17.040 -16.574 0.466 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.996 -42.530 0.466 30.31 @@ -1337,7 +1322,6 @@ Mg 4.605e-01 MgOH+ 2.280e-05 1.451e-05 -4.642 -4.838 -0.196 (0) Na 3.316e+00 Na+ 3.316e+00 3.856e+00 0.521 0.586 0.066 1.03 - NaOH 1.063e-17 3.135e-17 -16.974 -16.504 0.470 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.009 -42.539 0.470 30.31 @@ -1413,7 +1397,6 @@ Mg 3.538e-01 MgOH+ 1.869e-05 1.188e-05 -4.728 -4.925 -0.197 (0) Na 3.822e+00 Na+ 3.822e+00 4.573e+00 0.582 0.660 0.078 1.09 - NaOH 1.191e-17 3.667e-17 -16.924 -16.436 0.488 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.039 -42.551 0.488 30.31 @@ -1489,7 +1472,6 @@ Mg 1.650e-01 MgOH+ 8.789e-06 5.584e-06 -5.056 -5.253 -0.197 (0) Na 4.439e+00 Na+ 4.439e+00 5.354e+00 0.647 0.729 0.081 1.10 - NaOH 1.360e-17 4.236e-17 -16.866 -16.373 0.493 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.056 -42.563 0.493 30.31 @@ -1764,7 +1746,6 @@ Mg 8.592e-01 MgOH+ 1.753e-04 1.122e-04 -3.756 -3.950 -0.194 (0) Na 2.767e-01 Na+ 2.767e-01 2.390e-01 -0.558 -0.622 -0.064 0.95 - NaOH 6.289e-18 1.213e-17 -17.201 -16.916 0.285 (0) O(0) 2.624e-35 O2 1.312e-35 2.531e-35 -34.882 -34.597 0.285 31.89 @@ -1840,7 +1821,6 @@ Mg 7.440e-01 MgOH+ 1.485e-04 9.507e-05 -3.828 -4.022 -0.194 (0) Na 5.765e-01 Na+ 5.765e-01 4.947e-01 -0.239 -0.306 -0.066 0.94 - NaOH 1.310e-17 2.501e-17 -16.883 -16.602 0.281 (0) O(0) 2.627e-35 O2 1.314e-35 2.508e-35 -34.881 -34.601 0.281 31.89 @@ -1916,7 +1896,6 @@ Mg 6.791e-01 MgOH+ 1.379e-04 8.822e-05 -3.860 -4.054 -0.194 (0) Na 8.312e-01 Na+ 8.312e-01 7.192e-01 -0.080 -0.143 -0.063 0.95 - NaOH 1.867e-17 3.615e-17 -16.729 -16.442 0.287 (0) O(0) 2.562e-35 O2 1.281e-35 2.480e-35 -34.892 -34.606 0.287 31.89 @@ -1992,7 +1971,6 @@ Mg 5.785e-01 MgOH+ 1.157e-04 7.408e-05 -3.936 -4.130 -0.194 (0) Na 1.106e+00 Na+ 1.106e+00 9.534e-01 0.044 -0.021 -0.065 0.95 - NaOH 2.480e-17 4.770e-17 -16.606 -16.321 0.284 (0) O(0) 2.555e-35 O2 1.277e-35 2.457e-35 -34.894 -34.610 0.284 31.89 @@ -2068,7 +2046,6 @@ Mg 4.724e-01 MgOH+ 9.396e-05 6.013e-05 -4.027 -4.221 -0.194 (0) Na 1.424e+00 Na+ 1.424e+00 1.227e+00 0.153 0.089 -0.065 0.94 - NaOH 3.174e-17 6.105e-17 -16.498 -16.214 0.284 (0) O(0) 2.526e-35 O2 1.263e-35 2.429e-35 -34.899 -34.615 0.284 31.89 @@ -2144,7 +2121,6 @@ Mg 3.769e-01 MgOH+ 7.468e-05 4.779e-05 -4.127 -4.321 -0.194 (0) Na 1.715e+00 Na+ 1.715e+00 1.479e+00 0.234 0.170 -0.064 0.95 - NaOH 3.801e-17 7.318e-17 -16.420 -16.136 0.285 (0) O(0) 2.496e-35 O2 1.248e-35 2.403e-35 -34.904 -34.619 0.285 31.89 @@ -2220,7 +2196,6 @@ Mg 3.107e-01 MgOH+ 6.273e-05 4.010e-05 -4.203 -4.397 -0.194 (0) Na 1.977e+00 Na+ 1.977e+00 1.720e+00 0.296 0.235 -0.060 0.96 - NaOH 4.329e-17 8.458e-17 -16.364 -16.073 0.291 (0) O(0) 2.430e-35 O2 1.215e-35 2.374e-35 -34.915 -34.624 0.291 31.89 @@ -2296,7 +2271,6 @@ Mg 1.951e-01 MgOH+ 3.910e-05 2.500e-05 -4.408 -4.602 -0.194 (0) Na 2.321e+00 Na+ 2.321e+00 2.019e+00 0.366 0.305 -0.061 0.96 - NaOH 5.053e-17 9.867e-17 -16.296 -16.006 0.291 (0) O(0) 2.401e-35 O2 1.200e-35 2.344e-35 -34.921 -34.630 0.291 31.89 @@ -2372,7 +2346,6 @@ Mg 1.048e-01 MgOH+ 2.134e-05 1.363e-05 -4.671 -4.866 -0.195 (0) Na 2.649e+00 Na+ 2.649e+00 2.323e+00 0.423 0.366 -0.057 0.97 - NaOH 5.695e-17 1.127e-16 -16.244 -15.948 0.296 (0) O(0) 2.336e-35 O2 1.168e-35 2.311e-35 -34.933 -34.636 0.296 31.89 @@ -2448,7 +2421,6 @@ Mg 1.282e+00 MgOH+ 4.507e-04 2.832e-04 -3.346 -3.548 -0.202 (0) Na 4.153e-01 Na+ 4.153e-01 4.403e-01 -0.382 -0.356 0.025 1.25 - NaOH 8.149e-18 2.174e-17 -17.089 -16.663 0.426 (0) O(0) 1.794e-35 O2 8.968e-36 2.393e-35 -35.047 -34.621 0.426 31.89 @@ -2524,7 +2496,6 @@ Mg 1.206e+00 MgOH+ 4.567e-04 2.864e-04 -3.340 -3.543 -0.203 (0) Na 8.498e-01 Na+ 8.498e-01 9.296e-01 -0.071 -0.032 0.039 1.29 - NaOH 1.621e-17 4.536e-17 -16.790 -16.343 0.447 (0) O(0) 1.670e-35 O2 8.352e-36 2.336e-35 -35.078 -34.631 0.447 31.89 @@ -2600,7 +2571,6 @@ Mg 1.052e+00 MgOH+ 3.908e-04 2.452e-04 -3.408 -3.611 -0.203 (0) Na 1.282e+00 Na+ 1.282e+00 1.397e+00 0.108 0.145 0.037 1.29 - NaOH 2.433e-17 6.762e-17 -16.614 -16.170 0.444 (0) O(0) 1.656e-35 O2 8.280e-36 2.301e-35 -35.082 -34.638 0.444 31.89 @@ -2676,7 +2646,6 @@ Mg 8.856e-01 MgOH+ 3.313e-04 2.077e-04 -3.480 -3.682 -0.203 (0) Na 1.827e+00 Na+ 1.827e+00 2.004e+00 0.262 0.302 0.040 1.30 - NaOH 3.417e-17 9.595e-17 -16.466 -16.018 0.448 (0) O(0) 1.603e-35 O2 8.015e-36 2.250e-35 -35.096 -34.648 0.448 31.89 @@ -2752,7 +2721,6 @@ Mg 7.640e-01 MgOH+ 2.971e-04 1.861e-04 -3.527 -3.730 -0.203 (0) Na 2.311e+00 Na+ 2.311e+00 2.581e+00 0.364 0.412 0.048 1.32 - NaOH 4.233e-17 1.222e-16 -16.373 -15.913 0.460 (0) O(0) 1.524e-35 O2 7.620e-36 2.199e-35 -35.118 -34.658 0.460 31.89 @@ -2828,7 +2796,6 @@ Mg 6.180e-01 MgOH+ 2.438e-04 1.526e-04 -3.613 -3.816 -0.203 (0) Na 2.809e+00 Na+ 2.809e+00 3.165e+00 0.449 0.500 0.052 1.33 - NaOH 5.066e-17 1.482e-16 -16.295 -15.829 0.466 (0) O(0) 1.471e-35 O2 7.356e-36 2.152e-35 -35.133 -34.667 0.466 31.89 @@ -2904,7 +2871,6 @@ Mg 4.605e-01 MgOH+ 1.825e-04 1.142e-04 -3.739 -3.942 -0.204 (0) Na 3.316e+00 Na+ 3.316e+00 3.758e+00 0.521 0.575 0.054 1.34 - NaOH 5.903e-17 1.741e-16 -16.229 -15.759 0.470 (0) O(0) 1.429e-35 O2 7.143e-36 2.107e-35 -35.146 -34.676 0.470 31.89 @@ -2980,7 +2946,6 @@ Mg 3.538e-01 MgOH+ 1.496e-04 9.345e-05 -3.825 -4.029 -0.204 (0) Na 3.822e+00 Na+ 3.822e+00 4.456e+00 0.582 0.649 0.067 1.38 - NaOH 6.616e-17 2.036e-16 -16.179 -15.691 0.488 (0) O(0) 1.332e-35 O2 6.660e-36 2.050e-35 -35.177 -34.688 0.488 31.89 @@ -3056,7 +3021,6 @@ Mg 1.650e-01 MgOH+ 7.034e-05 4.393e-05 -4.153 -4.357 -0.204 (0) Na 4.439e+00 Na+ 4.439e+00 5.217e+00 0.647 0.717 0.070 1.39 - NaOH 7.553e-17 2.352e-16 -16.122 -15.628 0.493 (0) O(0) 1.281e-35 O2 6.407e-36 1.996e-35 -35.193 -34.700 0.493 31.89 @@ -3331,7 +3295,6 @@ Mg 8.592e-01 MgOH+ 9.679e-04 6.072e-04 -3.014 -3.217 -0.203 (0) Na 2.767e-01 Na+ 2.767e-01 2.320e-01 -0.558 -0.634 -0.077 1.28 - NaOH 2.292e-17 4.419e-17 -16.640 -16.355 0.285 (0) O(0) 9.037e-29 O2 4.519e-29 8.715e-29 -28.345 -28.060 0.285 32.95 @@ -3383,7 +3346,7 @@ Initial solution 2. Total alkalinity (eq/kg) = 8.236e-04 Temperature (°C) = 74.50 Pressure (atm) = 5.90 - Electrical balance (eq) = 4.956e-13 + Electrical balance (eq) = 4.963e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110133e+02 @@ -3407,7 +3370,6 @@ Mg 7.440e-01 MgOH+ 8.199e-04 5.147e-04 -3.086 -3.288 -0.202 (0) Na 5.765e-01 Na+ 5.765e-01 4.804e-01 -0.239 -0.318 -0.079 1.27 - NaOH 4.772e-17 9.108e-17 -16.321 -16.041 0.281 (0) O(0) 9.049e-29 O2 4.525e-29 8.635e-29 -28.344 -28.064 0.281 32.95 @@ -3459,7 +3421,7 @@ Initial solution 3. Total alkalinity (eq/kg) = 7.653e-04 Temperature (°C) = 74.50 Pressure (atm) = 5.90 - Electrical balance (eq) = 6.213e-13 + Electrical balance (eq) = 6.216e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110132e+02 @@ -3483,7 +3445,6 @@ Mg 6.791e-01 MgOH+ 7.615e-04 4.776e-04 -3.118 -3.321 -0.203 (0) Na 8.312e-01 Na+ 8.312e-01 6.983e-01 -0.080 -0.156 -0.076 1.28 - NaOH 6.803e-17 1.316e-16 -16.167 -15.881 0.287 (0) O(0) 8.824e-29 O2 4.412e-29 8.538e-29 -28.355 -28.069 0.287 32.95 @@ -3535,7 +3496,7 @@ Initial solution 4. Total alkalinity (eq/kg) = 6.430e-04 Temperature (°C) = 74.50 Pressure (atm) = 5.90 - Electrical balance (eq) = 5.638e-13 + Electrical balance (eq) = 5.643e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110131e+02 @@ -3559,7 +3520,6 @@ Mg 5.785e-01 MgOH+ 6.392e-04 4.011e-04 -3.194 -3.397 -0.202 (0) Na 1.106e+00 Na+ 1.106e+00 9.258e-01 0.044 -0.033 -0.077 1.28 - NaOH 9.034e-17 1.737e-16 -16.044 -15.760 0.284 (0) O(0) 8.799e-29 O2 4.399e-29 8.461e-29 -28.357 -28.073 0.284 32.95 @@ -3611,7 +3571,7 @@ Initial solution 5. Total alkalinity (eq/kg) = 5.227e-04 Temperature (°C) = 74.50 Pressure (atm) = 5.90 - Electrical balance (eq) = -3.587e-15 + Electrical balance (eq) = -3.143e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110130e+02 @@ -3635,7 +3595,6 @@ Mg 4.724e-01 MgOH+ 5.189e-04 3.256e-04 -3.285 -3.487 -0.202 (0) Na 1.424e+00 Na+ 1.424e+00 1.192e+00 0.153 0.076 -0.077 1.28 - NaOH 1.156e-16 2.224e-16 -15.937 -15.653 0.284 (0) O(0) 8.698e-29 O2 4.349e-29 8.363e-29 -28.362 -28.078 0.284 32.95 @@ -3687,7 +3646,7 @@ Initial solution 6. Total alkalinity (eq/kg) = 4.162e-04 Temperature (°C) = 74.50 Pressure (atm) = 5.90 - Electrical balance (eq) = -3.802e-12 + Electrical balance (eq) = -3.801e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110128e+02 @@ -3711,7 +3670,6 @@ Mg 3.769e-01 MgOH+ 4.125e-04 2.588e-04 -3.385 -3.587 -0.202 (0) Na 1.715e+00 Na+ 1.715e+00 1.436e+00 0.234 0.157 -0.077 1.28 - NaOH 1.385e-16 2.666e-16 -15.859 -15.574 0.284 (0) O(0) 8.594e-29 O2 4.297e-29 8.273e-29 -28.367 -28.082 0.284 32.95 @@ -3787,7 +3745,6 @@ Mg 3.107e-01 MgOH+ 3.464e-04 2.171e-04 -3.460 -3.663 -0.203 (0) Na 1.977e+00 Na+ 1.977e+00 1.670e+00 0.296 0.223 -0.073 1.29 - NaOH 1.577e-16 3.081e-16 -15.802 -15.511 0.291 (0) O(0) 8.369e-29 O2 4.184e-29 8.174e-29 -28.378 -28.088 0.291 32.95 @@ -3863,7 +3820,6 @@ Mg 1.951e-01 MgOH+ 2.160e-04 1.354e-04 -3.666 -3.869 -0.203 (0) Na 2.321e+00 Na+ 2.321e+00 1.961e+00 0.366 0.292 -0.073 1.29 - NaOH 1.841e-16 3.594e-16 -15.735 -15.444 0.291 (0) O(0) 8.266e-29 O2 4.133e-29 8.071e-29 -28.384 -28.093 0.291 32.95 @@ -3939,7 +3895,6 @@ Mg 1.048e-01 MgOH+ 1.178e-04 7.378e-05 -3.929 -4.132 -0.203 (0) Na 2.649e+00 Na+ 2.649e+00 2.255e+00 0.423 0.353 -0.070 1.30 - NaOH 2.074e-16 4.104e-16 -15.683 -15.387 0.296 (0) O(0) 8.041e-29 O2 4.021e-29 7.955e-29 -28.396 -28.099 0.296 32.95 @@ -4015,7 +3970,6 @@ Mg 1.282e+00 MgOH+ 2.478e-03 1.526e-03 -2.606 -2.817 -0.211 (0) Na 4.153e-01 Na+ 4.153e-01 4.268e-01 -0.382 -0.370 0.012 1.46 - NaOH 2.965e-17 7.904e-17 -16.528 -16.102 0.426 (0) O(0) 6.181e-29 O2 3.091e-29 8.238e-29 -28.510 -28.084 0.426 32.95 @@ -4091,7 +4045,6 @@ Mg 1.206e+00 MgOH+ 2.510e-03 1.542e-03 -2.600 -2.812 -0.212 (0) Na 8.498e-01 Na+ 8.498e-01 9.009e-01 -0.071 -0.045 0.025 1.49 - NaOH 5.899e-17 1.649e-16 -16.229 -15.783 0.446 (0) O(0) 5.757e-29 O2 2.878e-29 8.044e-29 -28.541 -28.095 0.446 32.95 @@ -4143,7 +4096,7 @@ Initial solution 12. Total alkalinity (eq/kg) = 2.152e-03 Temperature (°C) = 74.50 Pressure (atm) = 5.90 - Electrical balance (eq) = -1.589e-15 + Electrical balance (eq) = -3.366e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110146e+02 @@ -4167,7 +4120,6 @@ Mg 1.052e+00 MgOH+ 2.148e-03 1.320e-03 -2.668 -2.879 -0.211 (0) Na 1.282e+00 Na+ 1.282e+00 1.354e+00 0.108 0.132 0.024 1.49 - NaOH 8.854e-17 2.459e-16 -16.053 -15.609 0.444 (0) O(0) 5.706e-29 O2 2.853e-29 7.923e-29 -28.545 -28.101 0.444 32.95 @@ -4219,7 +4171,7 @@ Initial solution 13. Total alkalinity (eq/kg) = 1.825e-03 Temperature (°C) = 74.50 Pressure (atm) = 5.90 - Electrical balance (eq) = -6.531e-14 + Electrical balance (eq) = -6.287e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110143e+02 @@ -4243,7 +4195,6 @@ Mg 8.856e-01 MgOH+ 1.821e-03 1.119e-03 -2.740 -2.951 -0.212 (0) Na 1.827e+00 Na+ 1.827e+00 1.942e+00 0.262 0.288 0.026 1.49 - NaOH 1.243e-16 3.489e-16 -15.905 -15.457 0.448 (0) O(0) 5.523e-29 O2 2.761e-29 7.748e-29 -28.559 -28.111 0.448 32.95 @@ -4319,7 +4270,6 @@ Mg 7.640e-01 MgOH+ 1.633e-03 1.002e-03 -2.787 -2.999 -0.212 (0) Na 2.311e+00 Na+ 2.311e+00 2.501e+00 0.364 0.398 0.034 1.50 - NaOH 1.540e-16 4.441e-16 -15.813 -15.353 0.460 (0) O(0) 5.251e-29 O2 2.625e-29 7.571e-29 -28.581 -28.121 0.460 32.95 @@ -4395,7 +4345,6 @@ Mg 6.180e-01 MgOH+ 1.340e-03 8.220e-04 -2.873 -3.085 -0.212 (0) Na 2.809e+00 Na+ 2.809e+00 3.068e+00 0.449 0.487 0.038 1.51 - NaOH 1.843e-16 5.389e-16 -15.734 -15.268 0.466 (0) O(0) 5.068e-29 O2 2.534e-29 7.409e-29 -28.596 -28.130 0.466 32.95 @@ -4471,7 +4420,6 @@ Mg 4.605e-01 MgOH+ 1.003e-03 6.152e-04 -2.999 -3.211 -0.212 (0) Na 3.316e+00 Na+ 3.316e+00 3.643e+00 0.521 0.561 0.041 1.52 - NaOH 2.147e-16 6.330e-16 -15.668 -15.199 0.470 (0) O(0) 4.920e-29 O2 2.460e-29 7.253e-29 -28.609 -28.139 0.470 32.95 @@ -4547,7 +4495,6 @@ Mg 3.538e-01 MgOH+ 8.222e-04 5.032e-04 -3.085 -3.298 -0.213 (0) Na 3.822e+00 Na+ 3.822e+00 4.319e+00 0.582 0.635 0.053 1.54 - NaOH 2.406e-16 7.404e-16 -15.619 -15.131 0.488 (0) O(0) 4.587e-29 O2 2.294e-29 7.058e-29 -28.639 -28.151 0.488 32.95 @@ -4623,7 +4570,6 @@ Mg 1.650e-01 MgOH+ 3.868e-04 2.366e-04 -3.413 -3.626 -0.213 (0) Na 4.439e+00 Na+ 4.439e+00 5.057e+00 0.647 0.704 0.057 1.54 - NaOH 2.747e-16 8.553e-16 -15.561 -15.068 0.493 (0) O(0) 4.413e-29 O2 2.206e-29 6.871e-29 -28.656 -28.163 0.493 32.95 @@ -4898,7 +4844,6 @@ Mg 8.592e-01 MgOH+ 4.138e-03 2.536e-03 -2.383 -2.596 -0.213 (0) Na 2.767e-01 Na+ 2.767e-01 2.239e-01 -0.558 -0.650 -0.092 1.57 - NaOH 6.243e-17 1.202e-16 -16.205 -15.920 0.285 (0) O(0) 4.167e-23 O2 2.084e-23 4.013e-23 -22.681 -22.397 0.285 33.86 @@ -4940,7 +4885,7 @@ Initial solution 2. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 300783 + Specific Conductance (µS/cm, 99°C) = 300782 Density (g/cm³) = 1.03543 Volume (L) = 1.06668 Viscosity (mPa s) = 0.38418 @@ -4974,7 +4919,6 @@ Mg 7.440e-01 MgOH+ 3.507e-03 2.151e-03 -2.455 -2.667 -0.212 (0) Na 5.765e-01 Na+ 5.765e-01 4.637e-01 -0.239 -0.334 -0.095 1.56 - NaOH 1.300e-16 2.478e-16 -15.886 -15.606 0.280 (0) O(0) 4.172e-23 O2 2.086e-23 3.976e-23 -22.681 -22.401 0.280 33.86 @@ -5050,7 +4994,6 @@ Mg 6.791e-01 MgOH+ 3.257e-03 1.995e-03 -2.487 -2.700 -0.213 (0) Na 8.312e-01 Na+ 8.312e-01 6.741e-01 -0.080 -0.171 -0.091 1.57 - NaOH 1.853e-16 3.582e-16 -15.732 -15.446 0.286 (0) O(0) 4.068e-23 O2 2.034e-23 3.931e-23 -22.692 -22.405 0.286 33.86 @@ -5126,7 +5069,6 @@ Mg 5.785e-01 MgOH+ 2.735e-03 1.676e-03 -2.563 -2.776 -0.213 (0) Na 1.106e+00 Na+ 1.106e+00 8.938e-01 0.044 -0.049 -0.093 1.57 - NaOH 2.461e-16 4.728e-16 -15.609 -15.325 0.284 (0) O(0) 4.055e-23 O2 2.028e-23 3.896e-23 -22.693 -22.409 0.284 33.86 @@ -5168,7 +5110,7 @@ Initial solution 5. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 320112 + Specific Conductance (µS/cm, 99°C) = 320111 Density (g/cm³) = 1.04488 Volume (L) = 1.07970 Viscosity (mPa s) = 0.35012 @@ -5202,7 +5144,6 @@ Mg 4.724e-01 MgOH+ 2.221e-03 1.361e-03 -2.653 -2.866 -0.213 (0) Na 1.424e+00 Na+ 1.424e+00 1.151e+00 0.153 0.061 -0.092 1.57 - NaOH 3.149e-16 6.051e-16 -15.502 -15.218 0.284 (0) O(0) 4.008e-23 O2 2.004e-23 3.851e-23 -22.698 -22.414 0.284 33.86 @@ -5254,7 +5195,7 @@ Initial solution 6. Total alkalinity (eq/kg) = 1.777e-03 Temperature (°C) = 99.40 Pressure (atm) = 5.90 - Electrical balance (eq) = 2.138e-12 + Electrical balance (eq) = 2.137e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110142e+02 @@ -5278,7 +5219,6 @@ Mg 3.769e-01 MgOH+ 1.766e-03 1.082e-03 -2.753 -2.966 -0.213 (0) Na 1.715e+00 Na+ 1.715e+00 1.387e+00 0.234 0.142 -0.092 1.57 - NaOH 3.771e-16 7.255e-16 -15.424 -15.139 0.284 (0) O(0) 3.959e-23 O2 1.980e-23 3.809e-23 -22.703 -22.419 0.284 33.86 @@ -5320,10 +5260,10 @@ Initial solution 7. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 337223 + Specific Conductance (µS/cm, 99°C) = 337222 Density (g/cm³) = 1.05197 Volume (L) = 1.08850 - Viscosity (mPa s) = 0.33012 + Viscosity (mPa s) = 0.33013 Activity of water = 0.917 Ionic strength (mol/kgw) = 2.906e+00 Mass of water (kg) = 1.000e+00 @@ -5354,7 +5294,6 @@ Mg 3.107e-01 MgOH+ 1.483e-03 9.077e-04 -2.829 -3.042 -0.213 (0) Na 1.977e+00 Na+ 1.977e+00 1.612e+00 0.296 0.207 -0.088 1.57 - NaOH 4.294e-16 8.384e-16 -15.367 -15.077 0.291 (0) O(0) 3.855e-23 O2 1.928e-23 3.763e-23 -22.715 -22.424 0.291 33.86 @@ -5396,7 +5335,7 @@ Initial solution 8. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 344951 + Specific Conductance (µS/cm, 99°C) = 344950 Density (g/cm³) = 1.05534 Volume (L) = 1.09370 Viscosity (mPa s) = 0.31576 @@ -5430,7 +5369,6 @@ Mg 1.951e-01 MgOH+ 9.248e-04 5.661e-04 -3.034 -3.247 -0.213 (0) Na 2.321e+00 Na+ 2.321e+00 1.894e+00 0.366 0.277 -0.088 1.57 - NaOH 5.011e-16 9.782e-16 -15.300 -15.010 0.290 (0) O(0) 3.807e-23 O2 1.904e-23 3.716e-23 -22.720 -22.430 0.290 33.86 @@ -5506,7 +5444,6 @@ Mg 1.048e-01 MgOH+ 5.046e-04 3.086e-04 -3.297 -3.511 -0.214 (0) Na 2.649e+00 Na+ 2.649e+00 2.178e+00 0.423 0.338 -0.085 1.58 - NaOH 5.647e-16 1.117e-15 -15.248 -14.952 0.296 (0) O(0) 3.703e-23 O2 1.851e-23 3.662e-23 -22.732 -22.436 0.296 33.86 @@ -5548,7 +5485,7 @@ Initial solution 10. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 382866 + Specific Conductance (µS/cm, 99°C) = 382865 Density (g/cm³) = 1.06697 Volume (L) = 1.07425 Viscosity (mPa s) = 0.46066 @@ -5582,7 +5519,6 @@ Mg 1.282e+00 MgOH+ 1.049e-02 6.305e-03 -1.979 -2.200 -0.221 (0) Na 4.153e-01 Na+ 4.153e-01 4.106e-01 -0.382 -0.387 -0.005 1.66 - NaOH 8.072e-17 2.144e-16 -16.093 -15.669 0.424 (0) O(0) 2.857e-23 O2 1.429e-23 3.794e-23 -22.845 -22.421 0.424 33.86 @@ -5658,7 +5594,6 @@ Mg 1.206e+00 MgOH+ 1.061e-02 6.366e-03 -1.974 -2.196 -0.222 (0) Na 8.498e-01 Na+ 8.498e-01 8.666e-01 -0.071 -0.062 0.008 1.67 - NaOH 1.606e-16 4.470e-16 -15.794 -15.350 0.445 (0) O(0) 2.661e-23 O2 1.331e-23 3.705e-23 -22.876 -22.431 0.445 33.86 @@ -5734,7 +5669,6 @@ Mg 1.053e+00 MgOH+ 9.095e-03 5.456e-03 -2.041 -2.263 -0.222 (0) Na 1.282e+00 Na+ 1.282e+00 1.303e+00 0.108 0.115 0.007 1.67 - NaOH 2.409e-16 6.668e-16 -15.618 -15.176 0.442 (0) O(0) 2.636e-23 O2 1.318e-23 3.649e-23 -22.880 -22.438 0.442 33.86 @@ -5776,7 +5710,7 @@ Initial solution 13. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 430047 + Specific Conductance (µS/cm, 99°C) = 430046 Density (g/cm³) = 1.08533 Volume (L) = 1.09734 Viscosity (mPa s) = 0.40818 @@ -5786,7 +5720,7 @@ Initial solution 13. Total alkalinity (eq/kg) = 7.728e-03 Temperature (°C) = 99.40 Pressure (atm) = 5.90 - Electrical balance (eq) = -1.075e-14 + Electrical balance (eq) = -1.209e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110202e+02 @@ -5810,7 +5744,6 @@ Mg 8.856e-01 MgOH+ 7.717e-03 4.628e-03 -2.113 -2.335 -0.222 (0) Na 1.827e+00 Na+ 1.827e+00 1.870e+00 0.262 0.272 0.010 1.67 - NaOH 3.382e-16 9.464e-16 -15.471 -15.024 0.447 (0) O(0) 2.550e-23 O2 1.275e-23 3.568e-23 -22.894 -22.448 0.447 33.86 @@ -5852,7 +5785,7 @@ Initial solution 14. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 449576 + Specific Conductance (µS/cm, 99°C) = 449575 Density (g/cm³) = 1.09235 Volume (L) = 1.10558 Viscosity (mPa s) = 0.39265 @@ -5862,7 +5795,7 @@ Initial solution 14. Total alkalinity (eq/kg) = 6.931e-03 Temperature (°C) = 99.40 Pressure (atm) = 5.90 - Electrical balance (eq) = -2.698e-13 + Electrical balance (eq) = -2.703e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 Total H = 1.110194e+02 @@ -5886,7 +5819,6 @@ Mg 7.640e-01 MgOH+ 6.919e-03 4.144e-03 -2.160 -2.383 -0.223 (0) Na 2.311e+00 Na+ 2.311e+00 2.408e+00 0.364 0.382 0.018 1.68 - NaOH 4.188e-16 1.205e-15 -15.378 -14.919 0.459 (0) O(0) 2.424e-23 O2 1.212e-23 3.486e-23 -22.917 -22.458 0.459 33.86 @@ -5962,7 +5894,6 @@ Mg 6.180e-01 MgOH+ 5.682e-03 3.401e-03 -2.245 -2.468 -0.223 (0) Na 2.809e+00 Na+ 2.809e+00 2.954e+00 0.449 0.470 0.022 1.68 - NaOH 5.011e-16 1.462e-15 -15.300 -14.835 0.465 (0) O(0) 2.338e-23 O2 1.169e-23 3.412e-23 -22.932 -22.467 0.465 33.86 @@ -6004,7 +5935,7 @@ Initial solution 16. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 486217 + Specific Conductance (µS/cm, 99°C) = 486216 Density (g/cm³) = 1.10341 Volume (L) = 1.12160 Viscosity (mPa s) = 0.35335 @@ -6038,7 +5969,6 @@ Mg 4.605e-01 MgOH+ 4.257e-03 2.547e-03 -2.371 -2.594 -0.223 (0) Na 3.316e+00 Na+ 3.316e+00 3.508e+00 0.521 0.545 0.024 1.68 - NaOH 5.837e-16 1.718e-15 -15.234 -14.765 0.469 (0) O(0) 2.269e-23 O2 1.134e-23 3.340e-23 -22.945 -22.476 0.469 33.86 @@ -6080,7 +6010,7 @@ Initial solution 17. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 512875 + Specific Conductance (µS/cm, 99°C) = 512874 Density (g/cm³) = 1.11168 Volume (L) = 1.13069 Viscosity (mPa s) = 0.33998 @@ -6114,7 +6044,6 @@ Mg 3.538e-01 MgOH+ 3.487e-03 2.083e-03 -2.458 -2.681 -0.224 (0) Na 3.822e+00 Na+ 3.822e+00 4.160e+00 0.582 0.619 0.037 1.69 - NaOH 6.540e-16 2.010e-15 -15.184 -14.697 0.488 (0) O(0) 2.115e-23 O2 1.057e-23 3.250e-23 -22.976 -22.488 0.488 33.86 @@ -6156,7 +6085,7 @@ Initial solution 18. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 99°C) = 539808 + Specific Conductance (µS/cm, 99°C) = 539807 Density (g/cm³) = 1.11804 Volume (L) = 1.14048 Viscosity (mPa s) = 0.31550 @@ -6190,7 +6119,6 @@ Mg 1.650e-01 MgOH+ 1.642e-03 9.804e-04 -2.785 -3.009 -0.224 (0) Na 4.439e+00 Na+ 4.439e+00 4.873e+00 0.647 0.688 0.040 1.69 - NaOH 7.463e-16 2.323e-15 -15.127 -14.634 0.493 (0) O(0) 2.033e-23 O2 1.016e-23 3.163e-23 -22.993 -22.500 0.493 33.86 diff --git a/mytest/run_cell_range_101.sel b/mytest/run_cell_range_101.sel index aaafd067d..1c44e9242 100644 --- a/mytest/run_cell_range_101.sel +++ b/mytest/run_cell_range_101.sel @@ -1,8 +1,8 @@ Mu SC 0.000000100661 0.0546997340 0.000000100661 0.0546997340 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 diff --git a/mytest/run_cells.out b/mytest/run_cells.out index 941cdebe3..64658fb17 100644 --- a/mytest/run_cells.out +++ b/mytest/run_cells.out @@ -276,7 +276,7 @@ Ca 1.286e-04 Cl 5.000e-04 Cl- 5.000e-04 4.803e-04 -3.301 -3.318 -0.017 18.08 HCl 2.027e-14 2.030e-14 -13.693 -13.693 0.001 (0) -H(0) 9.842e-40 +H(0) 9.841e-40 H2 4.921e-40 4.922e-40 -39.308 -39.308 0.000 28.61 K 3.679e-04 K+ 3.679e-04 3.534e-04 -3.434 -3.452 -0.017 9.01 @@ -284,9 +284,8 @@ K 3.679e-04 Na 5.000e-04 Na+ 5.000e-04 4.805e-04 -3.301 -3.318 -0.017 -1.47 NaHCO3 3.454e-08 3.456e-08 -7.462 -7.461 0.000 31.73 - NaOH 3.963e-18 3.964e-18 -17.402 -17.402 0.000 (0) O(0) 3.440e-14 - O2 1.720e-14 1.720e-14 -13.764 -13.764 0.000 30.40 + O2 1.720e-14 1.721e-14 -13.764 -13.764 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -361,11 +360,11 @@ Calcite 0.00 -8.48 -8.48 1.000e+00 9.999e-01 -1.308e-04 ----------------------------Description of solution---------------------------- pH = 9.913 Charge balance - pe = -4.610 Adjusted to redox equilibrium + pe = 8.733 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 215 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89046 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 @@ -374,7 +373,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+00 9.999e-01 -1.308e-04 Temperature (°C) = 25.00 Electrical balance (eq) = -1.451e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 259 + Iterations = 314 Total H = 1.110124e+02 Total O = 5.550661e+01 @@ -388,8 +387,8 @@ Calcite 0.00 -8.48 -8.48 1.000e+00 9.999e-01 -1.308e-04 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 3.679e-04 Br- 3.679e-04 3.508e-04 -3.434 -3.455 -0.021 24.57 -C(-4) 2.105e-26 - CH4 2.105e-26 2.106e-26 -25.677 -25.677 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.422 -132.422 0.000 35.46 C(4) 1.308e-04 HCO3- 8.685e-05 8.294e-05 -4.061 -4.081 -0.020 24.59 CO3-2 3.829e-05 3.184e-05 -4.417 -4.497 -0.080 -3.89 @@ -407,17 +406,16 @@ Ca 1.308e-04 Cl 1.000e-03 Cl- 1.000e-03 9.540e-04 -3.000 -3.020 -0.020 18.08 HCl 4.007e-14 4.014e-14 -13.397 -13.396 0.001 (0) -H(0) 3.505e-14 - H2 1.753e-14 1.753e-14 -13.756 -13.756 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.443 -40.442 0.000 28.61 K 3.679e-04 K+ 3.679e-04 3.509e-04 -3.434 -3.455 -0.021 9.02 KHCO3 1.300e-08 1.300e-08 -7.886 -7.886 0.000 41.03 Na 1.000e-03 Na+ 9.999e-04 9.544e-04 -3.000 -3.020 -0.020 -1.46 NaHCO3 6.889e-08 6.894e-08 -7.162 -7.162 0.000 31.73 - NaOH 7.905e-18 7.908e-18 -17.102 -17.102 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.868 -64.868 0.000 30.40 +O(0) 6.390e-12 + O2 3.195e-12 3.196e-12 -11.496 -11.495 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -425,12 +423,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -22.87 -25.68 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.66 -13.76 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.61 -6.04 1.57 NaCl - O2(g) -61.98 -64.87 -2.89 O2 + O2(g) -8.60 -11.50 -2.89 O2 Sylvite -7.38 -6.48 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -542,7 +540,7 @@ Ca 1.286e-04 Cl 5.000e-04 Cl- 5.000e-04 4.803e-04 -3.301 -3.318 -0.017 18.08 HCl 2.027e-14 2.030e-14 -13.693 -13.693 0.001 (0) -H(0) 9.842e-40 +H(0) 9.841e-40 H2 4.921e-40 4.922e-40 -39.308 -39.308 0.000 28.61 K 3.679e-04 K+ 3.679e-04 3.534e-04 -3.434 -3.452 -0.017 9.01 @@ -550,9 +548,8 @@ K 3.679e-04 Na 5.000e-04 Na+ 5.000e-04 4.805e-04 -3.301 -3.318 -0.017 -1.47 NaHCO3 3.454e-08 3.456e-08 -7.462 -7.461 0.000 31.73 - NaOH 3.963e-18 3.964e-18 -17.402 -17.402 0.000 (0) O(0) 3.440e-14 - O2 1.720e-14 1.720e-14 -13.764 -13.764 0.000 30.40 + O2 1.720e-14 1.721e-14 -13.764 -13.764 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -627,11 +624,11 @@ Calcite 0.00 -8.48 -8.48 1.000e+00 9.999e-01 -1.308e-04 ----------------------------Description of solution---------------------------- pH = 9.913 Charge balance - pe = -4.610 Adjusted to redox equilibrium + pe = 8.733 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 215 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89046 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.782e-03 Mass of water (kg) = 1.000e+00 @@ -640,7 +637,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+00 9.999e-01 -1.308e-04 Temperature (°C) = 25.00 Electrical balance (eq) = -1.451e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 259 + Iterations = 314 Total H = 1.110124e+02 Total O = 5.550661e+01 @@ -654,8 +651,8 @@ Calcite 0.00 -8.48 -8.48 1.000e+00 9.999e-01 -1.308e-04 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 3.679e-04 Br- 3.679e-04 3.508e-04 -3.434 -3.455 -0.021 24.57 -C(-4) 2.105e-26 - CH4 2.105e-26 2.106e-26 -25.677 -25.677 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.422 -132.422 0.000 35.46 C(4) 1.308e-04 HCO3- 8.685e-05 8.294e-05 -4.061 -4.081 -0.020 24.59 CO3-2 3.829e-05 3.184e-05 -4.417 -4.497 -0.080 -3.89 @@ -673,17 +670,16 @@ Ca 1.308e-04 Cl 1.000e-03 Cl- 1.000e-03 9.540e-04 -3.000 -3.020 -0.020 18.08 HCl 4.007e-14 4.014e-14 -13.397 -13.396 0.001 (0) -H(0) 3.505e-14 - H2 1.753e-14 1.753e-14 -13.756 -13.756 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.443 -40.442 0.000 28.61 K 3.679e-04 K+ 3.679e-04 3.509e-04 -3.434 -3.455 -0.021 9.02 KHCO3 1.300e-08 1.300e-08 -7.886 -7.886 0.000 41.03 Na 1.000e-03 Na+ 9.999e-04 9.544e-04 -3.000 -3.020 -0.020 -1.46 NaHCO3 6.889e-08 6.894e-08 -7.162 -7.162 0.000 31.73 - NaOH 7.905e-18 7.908e-18 -17.102 -17.102 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.868 -64.868 0.000 30.40 +O(0) 6.390e-12 + O2 3.195e-12 3.196e-12 -11.496 -11.495 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -691,12 +687,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -22.87 -25.68 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.66 -13.76 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.61 -6.04 1.57 NaCl - O2(g) -61.98 -64.87 -2.89 O2 + O2(g) -8.60 -11.50 -2.89 O2 Sylvite -7.38 -6.48 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -777,7 +773,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.094e-06 ----------------------------Description of solution---------------------------- pH = 9.914 Charge balance - pe = 8.126 Adjusted to redox equilibrium + pe = 8.733 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 @@ -790,7 +786,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.094e-06 Temperature (°C) = 25.00 Electrical balance (eq) = -1.451e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 153 + Iterations = 99 Total H = 1.110124e+02 Total O = 5.550661e+01 @@ -805,7 +801,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.094e-06 Br 1.353e-04 Br- 1.353e-04 1.286e-04 -3.869 -3.891 -0.022 24.57 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -127.574 -127.574 0.000 35.46 + CH4 0.000e+00 0.000e+00 -132.425 -132.424 0.000 35.46 C(4) 1.319e-04 HCO3- 8.729e-05 8.309e-05 -4.059 -4.080 -0.021 24.59 CO3-2 3.893e-05 3.197e-05 -4.410 -4.495 -0.086 -3.88 @@ -823,17 +819,16 @@ Ca 1.319e-04 Cl 1.500e-03 Cl- 1.500e-03 1.426e-03 -2.824 -2.846 -0.022 18.09 HCl 5.978e-14 5.990e-14 -13.223 -13.223 0.001 (0) -H(0) 1.176e-39 - H2 5.881e-40 5.883e-40 -39.231 -39.230 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.443 -40.443 0.000 28.61 K 1.353e-04 K+ 1.353e-04 1.287e-04 -3.869 -3.891 -0.022 9.02 KHCO3 4.775e-09 4.776e-09 -8.321 -8.321 0.000 41.03 Na 1.500e-03 Na+ 1.500e-03 1.427e-03 -2.824 -2.846 -0.022 -1.46 NaHCO3 1.032e-07 1.033e-07 -6.986 -6.986 0.000 31.73 - NaOH 1.184e-17 1.185e-17 -16.927 -16.926 0.000 (0) -O(0) 2.407e-14 - O2 1.204e-14 1.204e-14 -13.920 -13.919 0.000 30.40 +O(0) 6.410e-12 + O2 3.205e-12 3.206e-12 -11.494 -11.494 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -841,12 +836,12 @@ O(0) 2.407e-14 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -124.77 -127.57 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -36.13 -39.23 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.26 -5.69 1.57 NaCl - O2(g) -11.03 -13.92 -2.89 O2 + O2(g) -8.60 -11.49 -2.89 O2 Sylvite -7.64 -6.74 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -908,7 +903,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.957e-06 ----------------------------Description of solution---------------------------- pH = 9.915 Charge balance - pe = -4.766 Adjusted to redox equilibrium + pe = 8.730 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 303 Density (g/cm³) = 0.99715 Volume (L) = 1.00300 @@ -935,8 +930,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.957e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 1.353e-04 Br- 1.353e-04 1.279e-04 -3.869 -3.893 -0.025 24.58 -C(-4) 3.536e-25 - CH4 3.536e-25 3.539e-25 -24.451 -24.451 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.418 -132.417 0.000 35.46 C(4) 1.338e-04 HCO3- 8.803e-05 8.336e-05 -4.055 -4.079 -0.024 24.60 CO3-2 4.001e-05 3.217e-05 -4.398 -4.493 -0.095 -3.86 @@ -954,17 +949,16 @@ Ca 1.338e-04 Cl 2.000e-03 Cl- 2.000e-03 1.891e-03 -2.699 -2.723 -0.024 18.09 HCl 7.896e-14 7.916e-14 -13.103 -13.101 0.001 (0) -H(0) 7.096e-14 - H2 3.548e-14 3.550e-14 -13.450 -13.450 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.442 -40.441 0.000 28.61 K 1.353e-04 K+ 1.353e-04 1.280e-04 -3.869 -3.893 -0.024 9.03 KHCO3 4.764e-09 4.764e-09 -8.322 -8.322 0.000 41.03 Na 2.000e-03 Na+ 2.000e-03 1.893e-03 -2.699 -2.723 -0.024 -1.45 NaHCO3 1.372e-07 1.374e-07 -6.863 -6.862 0.001 31.73 - NaOH 1.575e-17 1.576e-17 -16.803 -16.802 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.481 -65.481 0.000 30.40 +O(0) 6.357e-12 + O2 3.178e-12 3.180e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -972,12 +966,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -21.65 -24.45 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.35 -13.45 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.02 -5.45 1.57 NaCl - O2(g) -62.59 -65.48 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.52 -6.62 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1043,7 +1037,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.094e-06 ----------------------------Description of solution---------------------------- pH = 9.914 Charge balance - pe = 8.126 Adjusted to redox equilibrium + pe = 8.733 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 242 Density (g/cm³) = 0.99713 Volume (L) = 1.00299 @@ -1056,7 +1050,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.094e-06 Temperature (°C) = 25.00 Electrical balance (eq) = -1.451e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 153 + Iterations = 99 Total H = 1.110124e+02 Total O = 5.550661e+01 @@ -1071,7 +1065,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.094e-06 Br 1.353e-04 Br- 1.353e-04 1.286e-04 -3.869 -3.891 -0.022 24.57 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -127.574 -127.574 0.000 35.46 + CH4 0.000e+00 0.000e+00 -132.425 -132.424 0.000 35.46 C(4) 1.319e-04 HCO3- 8.729e-05 8.309e-05 -4.059 -4.080 -0.021 24.59 CO3-2 3.893e-05 3.197e-05 -4.410 -4.495 -0.086 -3.88 @@ -1089,17 +1083,16 @@ Ca 1.319e-04 Cl 1.500e-03 Cl- 1.500e-03 1.426e-03 -2.824 -2.846 -0.022 18.09 HCl 5.978e-14 5.990e-14 -13.223 -13.223 0.001 (0) -H(0) 1.176e-39 - H2 5.881e-40 5.883e-40 -39.231 -39.230 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.443 -40.443 0.000 28.61 K 1.353e-04 K+ 1.353e-04 1.287e-04 -3.869 -3.891 -0.022 9.02 KHCO3 4.775e-09 4.776e-09 -8.321 -8.321 0.000 41.03 Na 1.500e-03 Na+ 1.500e-03 1.427e-03 -2.824 -2.846 -0.022 -1.46 NaHCO3 1.032e-07 1.033e-07 -6.986 -6.986 0.000 31.73 - NaOH 1.184e-17 1.185e-17 -16.927 -16.926 0.000 (0) -O(0) 2.407e-14 - O2 1.204e-14 1.204e-14 -13.920 -13.919 0.000 30.40 +O(0) 6.410e-12 + O2 3.205e-12 3.206e-12 -11.494 -11.494 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1107,12 +1100,12 @@ O(0) 2.407e-14 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -124.77 -127.57 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -36.13 -39.23 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.26 -5.69 1.57 NaCl - O2(g) -11.03 -13.92 -2.89 O2 + O2(g) -8.60 -11.49 -2.89 O2 Sylvite -7.64 -6.74 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1174,7 +1167,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.957e-06 ----------------------------Description of solution---------------------------- pH = 9.915 Charge balance - pe = -4.766 Adjusted to redox equilibrium + pe = 8.730 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 303 Density (g/cm³) = 0.99715 Volume (L) = 1.00300 @@ -1201,8 +1194,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.957e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 1.353e-04 Br- 1.353e-04 1.279e-04 -3.869 -3.893 -0.025 24.58 -C(-4) 3.536e-25 - CH4 3.536e-25 3.539e-25 -24.451 -24.451 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.418 -132.417 0.000 35.46 C(4) 1.338e-04 HCO3- 8.803e-05 8.336e-05 -4.055 -4.079 -0.024 24.60 CO3-2 4.001e-05 3.217e-05 -4.398 -4.493 -0.095 -3.86 @@ -1220,17 +1213,16 @@ Ca 1.338e-04 Cl 2.000e-03 Cl- 2.000e-03 1.891e-03 -2.699 -2.723 -0.024 18.09 HCl 7.896e-14 7.916e-14 -13.103 -13.101 0.001 (0) -H(0) 7.096e-14 - H2 3.548e-14 3.550e-14 -13.450 -13.450 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.442 -40.441 0.000 28.61 K 1.353e-04 K+ 1.353e-04 1.280e-04 -3.869 -3.893 -0.024 9.03 KHCO3 4.764e-09 4.764e-09 -8.322 -8.322 0.000 41.03 Na 2.000e-03 Na+ 2.000e-03 1.893e-03 -2.699 -2.723 -0.024 -1.45 NaHCO3 1.372e-07 1.374e-07 -6.863 -6.862 0.001 31.73 - NaOH 1.575e-17 1.576e-17 -16.803 -16.802 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.481 -65.481 0.000 30.40 +O(0) 6.357e-12 + O2 3.178e-12 3.180e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1238,12 +1230,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -21.65 -24.45 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.35 -13.45 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.02 -5.45 1.57 NaCl - O2(g) -62.59 -65.48 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.52 -6.62 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1325,7 +1317,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.514e-06 ----------------------------Description of solution---------------------------- pH = 9.917 Charge balance - pe = -4.857 Adjusted to redox equilibrium + pe = 8.729 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 355 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 @@ -1352,8 +1344,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.514e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 8.208e-05 Br- 8.208e-05 7.722e-05 -4.086 -4.112 -0.027 24.58 -C(-4) 1.855e-24 - CH4 1.855e-24 1.856e-24 -23.732 -23.731 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.417 -132.416 0.000 35.46 C(4) 1.353e-04 HCO3- 8.862e-05 8.357e-05 -4.052 -4.078 -0.026 24.60 CO3-2 4.090e-05 3.234e-05 -4.388 -4.490 -0.102 -3.84 @@ -1371,17 +1363,16 @@ Ca 1.353e-04 Cl 2.500e-03 Cl- 2.500e-03 2.354e-03 -2.602 -2.628 -0.026 18.10 HCl 9.797e-14 9.825e-14 -13.009 -13.008 0.001 (0) -H(0) 1.074e-13 - H2 5.369e-14 5.373e-14 -13.270 -13.270 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.441 -40.441 0.000 28.61 K 8.208e-05 K+ 8.208e-05 7.726e-05 -4.086 -4.112 -0.026 9.03 KHCO3 2.884e-09 2.884e-09 -8.540 -8.540 0.000 41.03 Na 2.500e-03 Na+ 2.500e-03 2.356e-03 -2.602 -2.628 -0.026 -1.44 NaHCO3 1.712e-07 1.714e-07 -6.766 -6.766 0.001 31.73 - NaOH 1.966e-17 1.967e-17 -16.706 -16.706 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.841 -65.841 0.000 30.40 +O(0) 6.349e-12 + O2 3.175e-12 3.177e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1389,12 +1380,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.93 -23.73 -2.80 CH4 + CH4(g) -129.61 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.17 -13.27 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.83 -5.26 1.57 NaCl - O2(g) -62.95 -65.84 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.64 -6.74 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1456,7 +1447,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.982e-06 ----------------------------Description of solution---------------------------- pH = 9.918 Charge balance - pe = -4.878 Adjusted to redox equilibrium + pe = 8.728 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 411 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 @@ -1483,8 +1474,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.982e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 4.979e-05 Br- 4.979e-05 4.663e-05 -4.303 -4.331 -0.028 24.58 -C(-4) 2.673e-24 - CH4 2.673e-24 2.675e-24 -23.573 -23.573 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.416 -132.416 0.000 35.46 C(4) 1.368e-04 HCO3- 8.919e-05 8.377e-05 -4.050 -4.077 -0.027 24.61 CO3-2 4.177e-05 3.250e-05 -4.379 -4.488 -0.109 -3.83 @@ -1502,17 +1493,16 @@ Ca 1.368e-04 Cl 3.000e-03 Cl- 3.000e-03 2.812e-03 -2.523 -2.551 -0.028 18.10 HCl 1.167e-13 1.171e-13 -12.933 -12.931 0.001 (0) -H(0) 1.176e-13 - H2 5.882e-14 5.887e-14 -13.230 -13.230 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.441 -40.441 0.000 28.61 K 4.979e-05 K+ 4.979e-05 4.666e-05 -4.303 -4.331 -0.028 9.03 KHCO3 1.746e-09 1.746e-09 -8.758 -8.758 0.000 41.03 Na 3.000e-03 Na+ 3.000e-03 2.815e-03 -2.523 -2.551 -0.028 -1.44 NaHCO3 2.050e-07 2.054e-07 -6.688 -6.687 0.001 31.73 - NaOH 2.355e-17 2.357e-17 -16.628 -16.628 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.920 -65.920 0.000 30.40 +O(0) 6.344e-12 + O2 3.172e-12 3.174e-12 -11.499 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1520,12 +1510,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.77 -23.57 -2.80 CH4 + CH4(g) -129.61 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.13 -13.23 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.67 -5.10 1.57 NaCl - O2(g) -63.03 -65.92 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.78 -6.88 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1591,7 +1581,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.514e-06 ----------------------------Description of solution---------------------------- pH = 9.917 Charge balance - pe = -4.857 Adjusted to redox equilibrium + pe = 8.729 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 355 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 @@ -1618,8 +1608,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.514e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 8.208e-05 Br- 8.208e-05 7.722e-05 -4.086 -4.112 -0.027 24.58 -C(-4) 1.855e-24 - CH4 1.855e-24 1.856e-24 -23.732 -23.731 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.417 -132.416 0.000 35.46 C(4) 1.353e-04 HCO3- 8.862e-05 8.357e-05 -4.052 -4.078 -0.026 24.60 CO3-2 4.090e-05 3.234e-05 -4.388 -4.490 -0.102 -3.84 @@ -1637,17 +1627,16 @@ Ca 1.353e-04 Cl 2.500e-03 Cl- 2.500e-03 2.354e-03 -2.602 -2.628 -0.026 18.10 HCl 9.797e-14 9.825e-14 -13.009 -13.008 0.001 (0) -H(0) 1.074e-13 - H2 5.369e-14 5.373e-14 -13.270 -13.270 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.441 -40.441 0.000 28.61 K 8.208e-05 K+ 8.208e-05 7.726e-05 -4.086 -4.112 -0.026 9.03 KHCO3 2.884e-09 2.884e-09 -8.540 -8.540 0.000 41.03 Na 2.500e-03 Na+ 2.500e-03 2.356e-03 -2.602 -2.628 -0.026 -1.44 NaHCO3 1.712e-07 1.714e-07 -6.766 -6.766 0.001 31.73 - NaOH 1.966e-17 1.967e-17 -16.706 -16.706 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.841 -65.841 0.000 30.40 +O(0) 6.349e-12 + O2 3.175e-12 3.177e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1655,12 +1644,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.93 -23.73 -2.80 CH4 + CH4(g) -129.61 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.17 -13.27 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.83 -5.26 1.57 NaCl - O2(g) -62.95 -65.84 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.64 -6.74 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1722,7 +1711,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.982e-06 ----------------------------Description of solution---------------------------- pH = 9.918 Charge balance - pe = -4.878 Adjusted to redox equilibrium + pe = 8.728 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 411 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 @@ -1749,8 +1738,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -2.982e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 4.979e-05 Br- 4.979e-05 4.663e-05 -4.303 -4.331 -0.028 24.58 -C(-4) 2.673e-24 - CH4 2.673e-24 2.675e-24 -23.573 -23.573 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.416 -132.416 0.000 35.46 C(4) 1.368e-04 HCO3- 8.919e-05 8.377e-05 -4.050 -4.077 -0.027 24.61 CO3-2 4.177e-05 3.250e-05 -4.379 -4.488 -0.109 -3.83 @@ -1768,17 +1757,16 @@ Ca 1.368e-04 Cl 3.000e-03 Cl- 3.000e-03 2.812e-03 -2.523 -2.551 -0.028 18.10 HCl 1.167e-13 1.171e-13 -12.933 -12.931 0.001 (0) -H(0) 1.176e-13 - H2 5.882e-14 5.887e-14 -13.230 -13.230 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.441 -40.441 0.000 28.61 K 4.979e-05 K+ 4.979e-05 4.666e-05 -4.303 -4.331 -0.028 9.03 KHCO3 1.746e-09 1.746e-09 -8.758 -8.758 0.000 41.03 Na 3.000e-03 Na+ 3.000e-03 2.815e-03 -2.523 -2.551 -0.028 -1.44 NaHCO3 2.050e-07 2.054e-07 -6.688 -6.687 0.001 31.73 - NaOH 2.355e-17 2.357e-17 -16.628 -16.628 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.920 -65.920 0.000 30.40 +O(0) 6.344e-12 + O2 3.172e-12 3.174e-12 -11.499 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1786,12 +1774,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.77 -23.57 -2.80 CH4 + CH4(g) -129.61 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.13 -13.23 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.67 -5.10 1.57 NaCl - O2(g) -63.03 -65.92 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.78 -6.88 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -1874,7 +1862,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.407e-06 ----------------------------Description of solution---------------------------- pH = 9.919 Charge balance - pe = -4.866 Adjusted to redox equilibrium + pe = 8.727 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 467 Density (g/cm³) = 0.99721 Volume (L) = 1.00302 @@ -1901,8 +1889,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.407e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 3.020e-05 Br- 3.020e-05 2.816e-05 -4.520 -4.550 -0.030 24.59 -C(-4) 2.101e-24 - CH4 2.101e-24 2.103e-24 -23.678 -23.677 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.417 -132.416 0.000 35.46 C(4) 1.382e-04 HCO3- 8.973e-05 8.396e-05 -4.047 -4.076 -0.029 24.61 CO3-2 4.260e-05 3.265e-05 -4.371 -4.486 -0.116 -3.81 @@ -1920,17 +1908,16 @@ Ca 1.382e-04 Cl 3.500e-03 Cl- 3.500e-03 3.268e-03 -2.456 -2.486 -0.030 18.10 HCl 1.352e-13 1.358e-13 -12.869 -12.867 0.002 (0) -H(0) 1.108e-13 - H2 5.538e-14 5.544e-14 -13.257 -13.256 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.441 -40.441 0.000 28.61 K 3.020e-05 K+ 3.020e-05 2.819e-05 -4.520 -4.550 -0.030 9.04 KHCO3 1.057e-09 1.057e-09 -8.976 -8.976 0.000 41.03 Na 3.500e-03 Na+ 3.500e-03 3.271e-03 -2.456 -2.485 -0.029 -1.43 NaHCO3 2.388e-07 2.392e-07 -6.622 -6.621 0.001 31.73 - NaOH 2.743e-17 2.745e-17 -16.562 -16.561 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.868 -65.868 0.000 30.40 +O(0) 6.347e-12 + O2 3.173e-12 3.176e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -1938,12 +1925,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.88 -23.68 -2.80 CH4 + CH4(g) -129.61 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.16 -13.26 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.54 -4.97 1.57 NaCl - O2(g) -62.98 -65.87 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.94 -7.04 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2005,7 +1992,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.344e-06 ----------------------------Description of solution---------------------------- pH = 9.920 Charge balance - pe = -4.854 Adjusted to redox equilibrium + pe = 8.726 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 525 Density (g/cm³) = 0.99723 Volume (L) = 1.00303 @@ -2032,8 +2019,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.344e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 1.832e-05 Br- 1.832e-05 1.702e-05 -4.737 -4.769 -0.032 24.59 -C(-4) 1.674e-24 - CH4 1.674e-24 1.676e-24 -23.776 -23.776 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.417 -132.417 0.000 35.46 C(4) 1.395e-04 HCO3- 9.024e-05 8.413e-05 -4.045 -4.075 -0.030 24.61 CO3-2 4.340e-05 3.279e-05 -4.362 -4.484 -0.122 -3.80 @@ -2051,17 +2038,16 @@ Ca 1.395e-04 Cl 4.000e-03 Cl- 4.000e-03 3.720e-03 -2.398 -2.429 -0.031 18.11 HCl 1.536e-13 1.542e-13 -12.814 -12.812 0.002 (0) -H(0) 1.046e-13 - H2 5.232e-14 5.237e-14 -13.281 -13.281 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.442 -40.441 0.000 28.61 K 1.832e-05 K+ 1.831e-05 1.703e-05 -4.737 -4.769 -0.032 9.04 KHCO3 6.399e-10 6.400e-10 -9.194 -9.194 0.000 41.03 Na 4.000e-03 Na+ 4.000e-03 3.725e-03 -2.398 -2.429 -0.031 -1.43 NaHCO3 2.724e-07 2.729e-07 -6.565 -6.564 0.001 31.73 - NaOH 3.129e-17 3.132e-17 -16.505 -16.504 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.819 -65.818 0.000 30.40 +O(0) 6.350e-12 + O2 3.175e-12 3.178e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -2069,12 +2055,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.97 -23.78 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.18 -13.28 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.43 -4.86 1.57 NaCl - O2(g) -62.93 -65.82 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -8.10 -7.20 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2140,7 +2126,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.407e-06 ----------------------------Description of solution---------------------------- pH = 9.919 Charge balance - pe = -4.866 Adjusted to redox equilibrium + pe = 8.727 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 467 Density (g/cm³) = 0.99721 Volume (L) = 1.00302 @@ -2167,8 +2153,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.407e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 3.020e-05 Br- 3.020e-05 2.816e-05 -4.520 -4.550 -0.030 24.59 -C(-4) 2.101e-24 - CH4 2.101e-24 2.103e-24 -23.678 -23.677 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.417 -132.416 0.000 35.46 C(4) 1.382e-04 HCO3- 8.973e-05 8.396e-05 -4.047 -4.076 -0.029 24.61 CO3-2 4.260e-05 3.265e-05 -4.371 -4.486 -0.116 -3.81 @@ -2186,17 +2172,16 @@ Ca 1.382e-04 Cl 3.500e-03 Cl- 3.500e-03 3.268e-03 -2.456 -2.486 -0.030 18.10 HCl 1.352e-13 1.358e-13 -12.869 -12.867 0.002 (0) -H(0) 1.108e-13 - H2 5.538e-14 5.544e-14 -13.257 -13.256 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.441 -40.441 0.000 28.61 K 3.020e-05 K+ 3.020e-05 2.819e-05 -4.520 -4.550 -0.030 9.04 KHCO3 1.057e-09 1.057e-09 -8.976 -8.976 0.000 41.03 Na 3.500e-03 Na+ 3.500e-03 3.271e-03 -2.456 -2.485 -0.029 -1.43 NaHCO3 2.388e-07 2.392e-07 -6.622 -6.621 0.001 31.73 - NaOH 2.743e-17 2.745e-17 -16.562 -16.561 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.868 -65.868 0.000 30.40 +O(0) 6.347e-12 + O2 3.173e-12 3.176e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -2204,12 +2189,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.88 -23.68 -2.80 CH4 + CH4(g) -129.61 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.16 -13.26 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.54 -4.97 1.57 NaCl - O2(g) -62.98 -65.87 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -7.94 -7.04 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -2271,7 +2256,7 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.344e-06 ----------------------------Description of solution---------------------------- pH = 9.920 Charge balance - pe = -4.854 Adjusted to redox equilibrium + pe = 8.726 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 525 Density (g/cm³) = 0.99723 Volume (L) = 1.00303 @@ -2298,8 +2283,8 @@ Calcite 0.00 -8.48 -8.48 9.999e-01 9.999e-01 -1.344e-06 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 Br 1.832e-05 Br- 1.832e-05 1.702e-05 -4.737 -4.769 -0.032 24.59 -C(-4) 1.674e-24 - CH4 1.674e-24 1.676e-24 -23.776 -23.776 0.000 35.46 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -132.417 -132.417 0.000 35.46 C(4) 1.395e-04 HCO3- 9.024e-05 8.413e-05 -4.045 -4.075 -0.030 24.61 CO3-2 4.340e-05 3.279e-05 -4.362 -4.484 -0.122 -3.80 @@ -2317,17 +2302,16 @@ Ca 1.395e-04 Cl 4.000e-03 Cl- 4.000e-03 3.720e-03 -2.398 -2.429 -0.031 18.11 HCl 1.536e-13 1.542e-13 -12.814 -12.812 0.002 (0) -H(0) 1.046e-13 - H2 5.232e-14 5.237e-14 -13.281 -13.281 0.000 28.61 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.442 -40.441 0.000 28.61 K 1.832e-05 K+ 1.831e-05 1.703e-05 -4.737 -4.769 -0.032 9.04 KHCO3 6.399e-10 6.400e-10 -9.194 -9.194 0.000 41.03 Na 4.000e-03 Na+ 4.000e-03 3.725e-03 -2.398 -2.429 -0.031 -1.43 NaHCO3 2.724e-07 2.729e-07 -6.565 -6.564 0.001 31.73 - NaOH 3.129e-17 3.132e-17 -16.505 -16.504 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.819 -65.818 0.000 30.40 +O(0) 6.350e-12 + O2 3.175e-12 3.178e-12 -11.498 -11.498 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -2335,12 +2319,12 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -20.97 -23.78 -2.80 CH4 + CH4(g) -129.62 -132.42 -2.80 CH4 CO2(g) -6.17 -7.64 -1.47 CO2 - H2(g) -10.18 -13.28 -3.10 H2 + H2(g) -37.34 -40.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.43 -4.86 1.57 NaCl - O2(g) -62.93 -65.82 -2.89 O2 + O2(g) -8.61 -11.50 -2.89 O2 Sylvite -8.10 -7.20 0.90 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. diff --git a/mytest/run_cells_101.sel b/mytest/run_cells_101.sel index 56a5254e5..c33ec9074 100644 --- a/mytest/run_cells_101.sel +++ b/mytest/run_cells_101.sel @@ -1,18 +1,18 @@ Mu SC - 0.001000104180 148.4095475542 - 0.001273407639 153.7649303502 - 0.001781581293 215.4492648751 - 0.001273407639 153.7649303502 - 0.001781581293 215.4492648751 - 0.002052928455 242.8646526830 - 0.002559572430 303.3972642823 - 0.002052928455 242.8646526830 - 0.002559572430 303.3972642823 - 0.003011722936 355.9006555669 - 0.003484663458 411.1115433528 - 0.003011722936 355.9006555669 - 0.003484663458 411.1115433528 - 0.003970099010 467.8747523659 - 0.004463019926 525.4962925541 - 0.003970099010 467.8747523659 - 0.004463019926 525.4962925541 + 0.001000104180 148.4095475999 + 0.001273407639 153.7648542600 + 0.001781581292 215.4491698752 + 0.001273407639 153.7648542600 + 0.001781581292 215.4491698752 + 0.002052928455 242.8645235439 + 0.002559572430 303.3971118129 + 0.002052928455 242.8645235439 + 0.002559572430 303.3971118129 + 0.003011722936 355.9004743471 + 0.003484663458 411.1113320580 + 0.003011722936 355.9004743471 + 0.003484663458 411.1113320580 + 0.003970099010 467.8745092375 + 0.004463019926 525.4960156447 + 0.003970099010 467.8745092375 + 0.004463019926 525.4960156447 diff --git a/mytest/s1.out b/mytest/s1.out index 708dd6bdb..c69bd0cb7 100644 --- a/mytest/s1.out +++ b/mytest/s1.out @@ -88,7 +88,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.216e-09 Na+ 1.216e-09 1.216e-09 -8.915 -8.915 -0.000 -1.52 - NaOH 1.231e-26 1.231e-26 -25.910 -25.910 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -146,7 +145,6 @@ H(0) 1.125e-25 H2 5.623e-26 7.079e-26 -25.250 -25.150 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.679e-18 7.150e-18 -17.246 -17.146 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.210 -42.110 0.100 30.40 @@ -300,7 +298,6 @@ H(0) 1.125e-23 H2 5.623e-24 7.079e-24 -23.250 -23.150 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.679e-18 7.150e-18 -17.246 -17.146 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.210 -46.110 0.100 30.40 @@ -377,7 +374,6 @@ H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.216e-09 Na+ 1.216e-09 1.216e-09 -8.915 -8.915 -0.000 -1.52 - NaOH 1.231e-26 1.231e-26 -25.910 -25.910 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -471,7 +467,6 @@ H(0) 2.825e-28 H2 1.413e-28 1.778e-28 -27.850 -27.750 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.679e-18 7.150e-18 -17.246 -17.146 0.100 (0) O(0) 1.954e-37 O2 9.771e-38 1.230e-37 -37.010 -36.910 0.100 30.40 @@ -530,7 +525,6 @@ H(0) 1.125e-25 H2 5.623e-26 7.079e-26 -25.250 -25.150 0.100 28.61 Na 1.000e+00 Na+ 1.000e+00 7.312e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.679e-18 7.150e-18 -17.246 -17.146 0.100 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.210 -42.110 0.100 30.40 @@ -560,7 +554,7 @@ Using surface 1. Diffuse Double Layer Surface-Complexation Model Su - 3.559e-13 Surface + diffuse layer charge, eq + -2.364e-13 Surface + diffuse layer charge, eq -1.000e+00 Surface charge, eq -9.649e+00 sigma, C/m² -5.238e-01 psi, V @@ -600,7 +594,7 @@ Su ----------------------------Description of solution---------------------------- pH = 9.328 Charge balance - pe = 8.176 Adjusted to redox equilibrium + pe = 8.204 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 2 Density (g/cm³) = 0.99704 Volume (L) = 1.00601 @@ -612,7 +606,7 @@ Su Temperature (°C) = 25.00 Electrical balance (eq) = -1.110e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 0 (35 overall) + Iterations = 0 (40 overall) Total H = 6.327141e+01 Total O = 3.163571e+01 @@ -627,22 +621,21 @@ Su Cl 1.619e-05 Cl- 1.619e-05 1.607e-05 -4.791 -4.794 -0.003 18.05 HCl 2.602e-15 2.602e-15 -14.585 -14.585 0.000 (0) -H(0) 1.389e-38 - H2 6.946e-39 6.946e-39 -38.158 -38.158 0.000 28.61 +H(0) 1.220e-38 + H2 6.101e-39 6.101e-39 -38.215 -38.215 0.000 28.61 Na 3.788e-05 Na+ 3.788e-05 3.761e-05 -4.422 -4.425 -0.003 -1.51 - NaOH 8.099e-20 8.099e-20 -19.092 -19.092 0.000 (0) -O(0) 1.728e-16 - O2 8.640e-17 8.640e-17 -16.064 -16.063 0.000 30.40 +O(0) 2.240e-16 + O2 1.120e-16 1.120e-16 -15.951 -15.951 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.06 -38.16 -3.10 H2 + H2(g) -35.11 -38.21 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -10.79 -9.22 1.57 NaCl - O2(g) -13.17 -16.06 -2.89 O2 + O2(g) -13.06 -15.95 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/s1_101.sel b/mytest/s1_101.sel index 859b36d84..651c1a539 100644 --- a/mytest/s1_101.sel +++ b/mytest/s1_101.sel @@ -1,9 +1,9 @@ Mu SC 0.000000101254 0.0547518270 - 1.000000134558 84318.7621017634 - 1.000000134558 84318.7621017634 - 1.000000134558 83836.9211687795 + 1.000000134558 84318.7614207328 + 1.000000134558 84318.7614207328 + 1.000000134558 83836.9204916407 0.000000101254 0.0547518270 - 1.000000134558 83836.9211687795 - 1.000000134558 84318.7621017634 - 0.000037876909 2.3742755386 + 1.000000134558 83836.9204916406 + 1.000000134558 84318.7614207328 + 0.000037876909 2.3742755635 diff --git a/mytest/salt_ec.out b/mytest/salt_ec.out index 3572cfcb7..8f508c0a5 100644 --- a/mytest/salt_ec.out +++ b/mytest/salt_ec.out @@ -829,7 +829,6 @@ H(0) 1.459e-25 H2 7.296e-26 7.447e-26 -25.137 -25.128 0.009 28.61 Na 8.888e-02 Na+ 8.888e-02 7.052e-02 -1.051 -1.152 -0.101 -1.39 - NaOH 4.715e-19 4.813e-19 -18.326 -18.318 0.009 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.777 -43.768 0.009 29.98 @@ -888,7 +887,6 @@ H(0) 1.429e-25 H2 7.145e-26 7.447e-26 -25.146 -25.128 0.018 28.61 Na 1.799e-01 Na+ 1.799e-01 1.358e-01 -0.745 -0.867 -0.122 -1.23 - NaOH 8.865e-19 9.240e-19 -18.052 -18.034 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.788 -43.770 0.018 29.98 @@ -947,7 +945,6 @@ H(0) 1.400e-25 H2 6.999e-26 7.447e-26 -25.155 -25.128 0.027 28.61 Na 2.695e-01 Na+ 2.695e-01 1.985e-01 -0.569 -0.702 -0.133 -1.11 - NaOH 1.265e-18 1.346e-18 -17.898 -17.871 0.027 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.800 -43.773 0.027 29.98 @@ -1006,7 +1003,6 @@ H(0) 1.371e-25 H2 6.853e-26 7.447e-26 -25.164 -25.128 0.036 28.61 Na 3.613e-01 Na+ 3.613e-01 2.624e-01 -0.442 -0.581 -0.139 -1.01 - NaOH 1.633e-18 1.774e-18 -17.787 -17.751 0.036 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.812 -43.776 0.036 29.98 @@ -1065,7 +1061,6 @@ H(0) 1.341e-25 H2 6.706e-26 7.447e-26 -25.174 -25.128 0.046 28.61 Na 4.553e-01 Na+ 4.553e-01 3.283e-01 -0.342 -0.484 -0.142 -0.92 - NaOH 1.992e-18 2.213e-18 -17.701 -17.655 0.046 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.824 -43.779 0.046 29.98 @@ -1124,7 +1119,6 @@ H(0) 1.312e-25 H2 6.562e-26 7.447e-26 -25.183 -25.128 0.055 28.61 Na 5.497e-01 Na+ 5.497e-01 3.953e-01 -0.260 -0.403 -0.143 -0.84 - NaOH 2.340e-18 2.655e-18 -17.631 -17.576 0.055 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.836 -43.782 0.055 29.98 @@ -1183,7 +1177,6 @@ H(0) 1.284e-25 H2 6.420e-26 7.447e-26 -25.192 -25.128 0.064 28.61 Na 6.445e-01 Na+ 6.445e-01 4.637e-01 -0.191 -0.334 -0.143 -0.77 - NaOH 2.677e-18 3.105e-18 -17.572 -17.508 0.064 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.849 -43.784 0.064 29.98 @@ -1242,7 +1235,6 @@ H(0) 1.261e-25 H2 6.307e-26 7.447e-26 -25.200 -25.128 0.072 28.61 Na 7.214e-01 Na+ 7.214e-01 5.202e-01 -0.142 -0.284 -0.142 -0.71 - NaOH 2.942e-18 3.474e-18 -17.531 -17.459 0.072 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.859 -43.787 0.072 29.98 @@ -1301,7 +1293,6 @@ H(0) 1.206e-25 H2 6.030e-26 7.447e-26 -25.220 -25.128 0.092 28.61 Na 9.166e-01 Na+ 9.166e-01 6.683e-01 -0.038 -0.175 -0.137 -0.58 - NaOH 3.589e-18 4.432e-18 -17.445 -17.353 0.092 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.884 -43.793 0.092 29.98 @@ -1360,7 +1351,6 @@ H(0) 1.157e-25 H2 5.785e-26 7.447e-26 -25.238 -25.128 0.110 28.61 Na 1.097e+00 Na+ 1.097e+00 8.116e-01 0.040 -0.091 -0.131 -0.48 - NaOH 4.155e-18 5.349e-18 -17.381 -17.272 0.110 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.908 -43.798 0.110 29.98 @@ -1419,7 +1409,6 @@ H(0) 1.062e-25 H2 5.312e-26 7.447e-26 -25.275 -25.128 0.147 28.61 Na 1.467e+00 Na+ 1.467e+00 1.130e+00 0.166 0.053 -0.114 -0.29 - NaOH 5.241e-18 7.347e-18 -17.281 -17.134 0.147 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.956 -43.810 0.147 29.98 @@ -1478,7 +1467,6 @@ H(0) 9.816e-26 H2 4.908e-26 7.447e-26 -25.309 -25.128 0.181 28.61 Na 1.811e+00 Na+ 1.811e+00 1.456e+00 0.258 0.163 -0.095 -0.13 - NaOH 6.166e-18 9.356e-18 -17.210 -17.029 0.181 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.001 -43.820 0.181 29.98 diff --git a/mytest/salt_ec_101.sel b/mytest/salt_ec_101.sel index ef891a615..28bc806bd 100644 --- a/mytest/salt_ec_101.sel +++ b/mytest/salt_ec_101.sel @@ -1,67 +1,67 @@ Mu SC - 0.069723973062 8283.3282742716 - 0.139829052894 16025.1137962726 - 0.211732218922 23680.6585996402 - 0.284038632915 31179.4257721650 - 0.358181530717 38706.9780462515 - 0.431312760863 45998.0080847701 - 0.506303843183 53354.1067188073 - 0.583183428516 60781.6818361466 - 0.736838352469 75316.3519645815 - 0.895288343449 89911.2209257388 - 1.057166282450 104441.6742769177 - 1.140367409263 111767.4934060874 - 0.088883988009 8556.3558163388 - 0.179920544073 16500.6405048946 - 0.269541999286 23920.4727729872 - 0.361335572034 31219.8804959375 - 0.455326306730 38435.5219208170 - 0.549720756553 45452.4182300873 - 0.644521527217 52289.5105507807 - 0.721389801776 57689.1910055859 - 0.916586387966 70860.3679195256 - 1.096725856978 82369.8066844060 - 1.467110926277 104225.3106977193 - 1.810954059212 122470.8237462931 - 0.140224330776 8751.2280422448 - 0.284108733067 16605.9593383978 - 0.428546343007 23991.7451067542 - 0.573540355572 31052.2178640768 - 0.722264440096 37997.1826843054 - 0.871576206138 44708.4818246949 - 1.021479143648 51210.5102744588 - 1.175185334512 57652.2273115068 - 1.487708646467 70105.9328109917 - 1.806074025136 81977.4669163189 - 2.133685665902 93399.9867556345 - 2.640386939480 109584.1809728089 - 0.163518331425 9447.5471064098 - 0.330754206724 17727.1389733494 - 0.666587644492 32589.6516867699 - 1.010887966980 46192.6921916416 - 1.360442416686 58705.1248531704 - 1.722038629854 70485.0040616896 - 2.089113506428 81370.5696260359 - 2.465142550371 91498.4203354335 - 2.846848664178 100790.8722360452 - 3.237753792845 109328.8433824140 - 0.099315043955 4763.9580696062 - 0.182762927573 8406.1940478978 - 0.341750014126 14744.0644957358 - 0.499674251515 20355.8168420086 - 0.659723091971 25408.7460325162 - 0.823292991537 29962.2470188289 - 0.991220941422 34044.6846675647 - 1.165643574883 37702.9407125629 - 1.343977782662 40885.4659990938 - 1.721741652470 46003.2307058313 + 0.069723973062 8283.3282692750 + 0.139829052894 16025.1137798486 + 0.211732218922 23680.6585672123 + 0.284038632915 31179.4257201554 + 0.358181530717 38706.9779710887 + 0.431312760863 45998.0079841082 + 0.506303843183 53354.1065895597 + 0.583183428516 60781.6816752931 + 0.736838352469 75316.3517344499 + 0.895288343449 89911.2206168906 + 1.057166282450 104441.6738813325 + 1.140367409263 111767.4929638094 + 0.088883988009 8556.3558019750 + 0.179920544073 16500.6404650725 + 0.269541999286 23920.4727020471 + 0.361335572034 31219.8803886990 + 0.455326306730 38435.5217729415 + 0.549720756553 45452.4180387300 + 0.644521527217 52289.5103137353 + 0.721389801776 57689.1907303870 + 0.916586387966 70860.3675446569 + 1.096725856978 82369.8062160986 + 1.467110926277 104225.3100405603 + 1.810954059212 122470.8229252981 + 0.140224330776 8751.2280157887 + 0.284108733067 16605.9592707648 + 0.428546343007 23991.7449906861 + 0.573540355572 31052.2176949206 + 0.722264440096 37997.1824577014 + 0.871576206138 44708.4815385122 + 1.021479143648 51210.5099273848 + 1.175185334512 57652.2269015418 + 1.487708646467 70105.9322738017 + 1.806074025136 81977.4662530062 + 2.133685665902 93399.9859685085 + 2.640386939480 109584.1800096612 + 0.163518331425 9447.5470721749 + 0.330754206724 17727.1388907013 + 0.666587644492 32589.6514940783 + 1.010887966980 46192.6918829331 + 1.360442416686 58705.1244312505 + 1.722038629854 70485.0035313566 + 2.089113506428 81370.5689966540 + 2.465142550371 91498.4196170626 + 2.846848664178 100790.8714406529 + 3.237753792845 109328.8425220723 + 0.099315043955 4763.9580511633 + 0.182762927573 8406.1940092472 + 0.341750014126 14744.0644148706 + 0.499674251515 20355.8167200868 + 0.659723091971 25408.7458737511 + 0.823292991537 29962.2468292382 + 0.991220941422 34044.6844540887 + 1.165643574883 37702.9404823262 + 1.343977782662 40885.4657593772 + 1.721741652470 46003.2304666604 0.000000084272 0.0448299058 - 0.177090864857 7965.0987298853 - 0.343905258736 13354.5850794322 - 0.505188147451 17709.1796413020 - 0.661036835898 21377.2555726757 - 0.815357189624 24609.5923446587 - 0.966529035636 27461.2553978799 - 1.115621632014 30014.9252366792 - 1.263944923664 32333.4850801723 - 1.411408021857 34444.2229508070 + 0.177090864857 7965.0987298852 + 0.343905258736 13354.5850794320 + 0.505188147451 17709.1796413018 + 0.661036835898 21377.2555726755 + 0.815357189624 24609.5923446585 + 0.966529035636 27461.2553978796 + 1.115621632014 30014.9252366789 + 1.263944923664 32333.4850801720 + 1.411408021857 34444.2229508067 diff --git a/mytest/salt_ec_chart.out b/mytest/salt_ec_chart.out index 57f7560b4..5272a2f2d 100644 --- a/mytest/salt_ec_chart.out +++ b/mytest/salt_ec_chart.out @@ -1124,9 +1124,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.090 -40.081 0.009 28.61 Na 8.556e-02 Na+ 8.556e-02 6.794e-02 -1.068 -1.168 -0.100 -1.12 - NaOH 6.540e-19 6.670e-19 -18.184 -18.176 0.009 (0) O(0) 1.181e-12 - O2 5.907e-13 6.024e-13 -12.229 -12.220 0.009 30.40 + O2 5.907e-13 6.025e-13 -12.229 -12.220 0.009 30.40 ------------------------------Saturation indices------------------------------- @@ -1169,7 +1168,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.983 Charge balance - pe = 11.479 Adjusted to redox equilibrium + pe = 11.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 17641 Density (g/cm³) = 1.00409 Volume (L) = 1.00598 @@ -1179,7 +1178,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.247e-09 + Electrical balance (eq) = -1.251e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1197,12 +1196,11 @@ Cl 1.728e-01 Cl- 1.728e-01 1.255e-01 -0.762 -0.901 -0.139 18.43 HCl 3.799e-09 4.500e-09 -8.420 -8.347 0.074 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.092 -40.074 0.017 28.61 + H2 0.000e+00 0.000e+00 -40.092 -40.075 0.017 28.61 Na 1.728e-01 Na+ 1.728e-01 1.305e-01 -0.762 -0.884 -0.122 -0.97 - NaOH 1.213e-18 1.262e-18 -17.916 -17.899 0.017 (0) -O(0) 1.115e-12 - O2 5.575e-13 5.801e-13 -12.254 -12.236 0.017 30.40 +O(0) 1.116e-12 + O2 5.580e-13 5.807e-13 -12.253 -12.236 0.017 30.40 ------------------------------Saturation indices------------------------------- @@ -1255,7 +1253,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.485e-09 + Electrical balance (eq) = -1.470e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1276,9 +1274,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.097 -40.071 0.026 28.61 Na 2.584e-01 Na+ 2.584e-01 1.902e-01 -0.588 -0.721 -0.133 -0.86 - NaOH 1.714e-18 1.819e-18 -17.766 -17.740 0.026 (0) -O(0) 1.070e-12 - O2 5.349e-13 5.676e-13 -12.272 -12.246 0.026 30.40 +O(0) 1.069e-12 + O2 5.345e-13 5.672e-13 -12.272 -12.246 0.026 30.40 ------------------------------Saturation indices------------------------------- @@ -1331,7 +1328,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.181e-09 + Electrical balance (eq) = -2.126e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1349,12 +1346,11 @@ Cl 3.457e-01 Cl- 3.457e-01 2.335e-01 -0.461 -0.632 -0.170 18.58 HCl 6.050e-09 8.489e-09 -8.218 -8.071 0.147 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.103 -40.068 0.035 28.61 + H2 0.000e+00 0.000e+00 -40.102 -40.068 0.035 28.61 Na 3.457e-01 Na+ 3.457e-01 2.508e-01 -0.461 -0.601 -0.139 -0.77 - NaOH 2.195e-18 2.377e-18 -17.659 -17.624 0.035 (0) O(0) 1.028e-12 - O2 5.142e-13 5.568e-13 -12.289 -12.254 0.035 30.40 + O2 5.138e-13 5.563e-13 -12.289 -12.255 0.035 30.40 ------------------------------Saturation indices------------------------------- @@ -1407,7 +1403,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.267e-09 + Electrical balance (eq) = -4.470e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1428,9 +1424,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.110 -40.067 0.043 28.61 Na 4.346e-01 Na+ 4.346e-01 3.128e-01 -0.362 -0.505 -0.143 -0.69 - NaOH 2.660e-18 2.940e-18 -17.575 -17.532 0.043 (0) -O(0) 9.950e-13 - O2 4.975e-13 5.499e-13 -12.303 -12.260 0.043 30.40 +O(0) 9.962e-13 + O2 4.981e-13 5.505e-13 -12.303 -12.259 0.043 30.40 ------------------------------Saturation indices------------------------------- @@ -1500,13 +1495,12 @@ Reaction 1. Cl 5.236e-01 Cl- 5.236e-01 3.387e-01 -0.281 -0.470 -0.189 18.70 HCl 7.443e-09 1.243e-08 -8.128 -7.905 0.223 (0) -H(0) 2.513e-40 - H2 1.256e-40 1.417e-40 -39.901 -39.849 0.052 28.61 +H(0) 2.510e-40 + H2 1.255e-40 1.416e-40 -39.901 -39.849 0.052 28.61 Na 5.236e-01 Na+ 5.236e-01 3.755e-01 -0.281 -0.425 -0.144 -0.61 - NaOH 3.105e-18 3.503e-18 -17.508 -17.456 0.052 (0) -O(0) 3.549e-13 - O2 1.774e-13 2.002e-13 -12.751 -12.699 0.052 30.40 +O(0) 3.557e-13 + O2 1.778e-13 2.006e-13 -12.750 -12.698 0.052 30.40 ------------------------------Saturation indices------------------------------- @@ -1549,7 +1543,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.971 Charge balance - pe = 11.379 Adjusted to redox equilibrium + pe = 11.378 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 55368 Density (g/cm³) = 1.02138 Volume (L) = 1.01412 @@ -1576,13 +1570,12 @@ Reaction 1. Cl 6.126e-01 Cl- 6.126e-01 3.900e-01 -0.213 -0.409 -0.196 18.76 HCl 7.886e-09 1.437e-08 -8.103 -7.842 0.261 (0) -H(0) 2.462e-40 - H2 1.231e-40 1.418e-40 -39.910 -39.848 0.061 28.61 +H(0) 2.464e-40 + H2 1.232e-40 1.419e-40 -39.909 -39.848 0.061 28.61 Na 6.126e-01 Na+ 6.126e-01 4.391e-01 -0.213 -0.357 -0.145 -0.55 - NaOH 3.533e-18 4.068e-18 -17.452 -17.391 0.061 (0) -O(0) 3.454e-13 - O2 1.727e-13 1.989e-13 -12.763 -12.701 0.061 30.40 +O(0) 3.449e-13 + O2 1.725e-13 1.986e-13 -12.763 -12.702 0.061 30.40 ------------------------------Saturation indices------------------------------- @@ -1635,7 +1628,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.423e-09 + Electrical balance (eq) = -1.408e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+02 @@ -1652,13 +1645,12 @@ Reaction 1. Cl 6.845e-01 Cl- 6.845e-01 4.311e-01 -0.165 -0.365 -0.201 18.80 HCl 8.147e-09 1.593e-08 -8.089 -7.798 0.291 (0) -H(0) 2.387e-40 - H2 1.193e-40 1.397e-40 -39.923 -39.855 0.068 28.61 +H(0) 2.388e-40 + H2 1.194e-40 1.398e-40 -39.923 -39.854 0.068 28.61 Na 6.845e-01 Na+ 6.845e-01 4.913e-01 -0.165 -0.309 -0.144 -0.50 - NaOH 3.867e-18 4.527e-18 -17.413 -17.344 0.068 (0) -O(0) 3.481e-13 - O2 1.740e-13 2.037e-13 -12.759 -12.691 0.068 30.40 +O(0) 3.476e-13 + O2 1.738e-13 2.035e-13 -12.760 -12.692 0.068 30.40 ------------------------------Saturation indices------------------------------- @@ -1728,13 +1720,12 @@ Reaction 1. Cl 8.658e-01 Cl- 8.658e-01 5.336e-01 -0.063 -0.273 -0.210 18.89 HCl 8.497e-09 1.985e-08 -8.071 -7.702 0.369 (0) -H(0) 2.311e-40 - H2 1.156e-40 1.411e-40 -39.937 -39.851 0.087 28.61 +H(0) 2.307e-40 + H2 1.154e-40 1.408e-40 -39.938 -39.851 0.087 28.61 Na 8.658e-01 Na+ 8.658e-01 6.270e-01 -0.063 -0.203 -0.140 -0.38 - NaOH 4.672e-18 5.703e-18 -17.330 -17.244 0.087 (0) -O(0) 3.233e-13 - O2 1.617e-13 1.973e-13 -12.791 -12.705 0.087 30.40 +O(0) 3.244e-13 + O2 1.622e-13 1.980e-13 -12.790 -12.703 0.087 30.40 ------------------------------Saturation indices------------------------------- @@ -1804,13 +1795,12 @@ Reaction 1. Cl 1.032e+00 Cl- 1.032e+00 6.264e-01 0.014 -0.203 -0.217 18.96 HCl 8.522e-09 2.342e-08 -8.069 -7.630 0.439 (0) -H(0) 2.231e-40 - H2 1.115e-40 1.415e-40 -39.953 -39.849 0.103 28.61 +H(0) 2.238e-40 + H2 1.119e-40 1.419e-40 -39.951 -39.848 0.103 28.61 Na 1.032e+00 Na+ 1.032e+00 7.565e-01 0.014 -0.121 -0.135 -0.29 - NaOH 5.367e-18 6.806e-18 -17.270 -17.167 0.103 (0) -O(0) 3.059e-13 - O2 1.529e-13 1.940e-13 -12.815 -12.712 0.103 30.40 +O(0) 3.040e-13 + O2 1.520e-13 1.928e-13 -12.818 -12.715 0.103 30.40 ------------------------------Saturation indices------------------------------- @@ -1819,7 +1809,7 @@ O(0) 3.059e-13 H2(g) -36.75 -39.85 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.89 -0.32 1.57 NaCl - O2(g) -9.82 -12.71 -2.89 O2 + O2(g) -9.82 -12.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1853,7 +1843,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance - pe = 11.492 Adjusted to redox equilibrium + pe = 11.494 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 108963 Density (g/cm³) = 1.04964 Volume (L) = 1.02893 @@ -1881,21 +1871,20 @@ Cl 1.369e+00 Cl- 1.369e+00 8.138e-01 0.136 -0.089 -0.226 19.09 HCl 8.028e-09 3.070e-08 -8.095 -7.513 0.583 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.192 -40.055 0.137 28.61 + H2 0.000e+00 0.000e+00 -40.195 -40.058 0.137 28.61 Na 1.369e+00 Na+ 1.369e+00 1.038e+00 0.136 0.016 -0.120 -0.12 - NaOH 6.674e-18 9.147e-18 -17.176 -17.039 0.137 (0) -O(0) 7.140e-13 - O2 3.570e-13 4.893e-13 -12.447 -12.310 0.137 30.40 +O(0) 7.233e-13 + O2 3.616e-13 4.956e-13 -12.442 -12.305 0.137 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.95 -40.06 -3.10 H2 + H2(g) -36.96 -40.06 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O Halite -1.64 -0.07 1.57 NaCl - O2(g) -9.42 -12.31 -2.89 O2 + O2(g) -9.41 -12.30 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1929,7 +1918,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 6.958 Charge balance - pe = 11.494 Adjusted to redox equilibrium + pe = 11.493 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 127561 Density (g/cm³) = 1.06070 Volume (L) = 1.03517 @@ -1939,7 +1928,7 @@ Reaction 1. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.211e-09 + Electrical balance (eq) = -1.210e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1957,12 +1946,11 @@ Cl 1.677e+00 Cl- 1.677e+00 9.850e-01 0.225 -0.007 -0.231 19.19 HCl 7.232e-09 3.741e-08 -8.141 -7.427 0.714 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.220 -40.052 0.168 28.61 + H2 0.000e+00 0.000e+00 -40.219 -40.052 0.168 28.61 Na 1.677e+00 Na+ 1.677e+00 1.320e+00 0.225 0.121 -0.104 0.01 - NaOH 7.768e-18 1.143e-17 -17.110 -16.942 0.168 (0) -O(0) 6.414e-13 - O2 3.207e-13 4.718e-13 -12.494 -12.326 0.168 30.40 +O(0) 6.394e-13 + O2 3.197e-13 4.704e-13 -12.495 -12.328 0.168 30.40 ------------------------------Saturation indices------------------------------- @@ -1971,7 +1959,7 @@ O(0) 6.414e-13 H2(g) -36.95 -40.05 -3.10 H2 H2O(g) -1.53 -0.03 1.50 H2O Halite -1.46 0.11 1.57 NaCl - O2(g) -9.43 -12.33 -2.89 O2 + O2(g) -9.44 -12.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/salt_ec_chart_101.sel b/mytest/salt_ec_chart_101.sel index 29c4866cc..70df13e96 100644 --- a/mytest/salt_ec_chart_101.sel +++ b/mytest/salt_ec_chart_101.sel @@ -1,58 +1,58 @@ Mu SC 0.000000100661 0.0546997340 - 0.067069203303 8825.4120674134 - 0.134138290007 17022.1546873684 - 0.202548756683 25077.5698331672 - 0.270959222377 32919.7199587494 - 0.340711068548 40744.0359004012 - 0.409121533313 48276.9625787402 - 0.478873378857 55832.0264518184 - 0.549966606237 63414.9475824275 - 0.690811679564 78122.9845864917 - 0.834339515552 92721.3971720515 - 0.979208732289 107090.2173539969 - 1.052984722092 114273.6663831894 - 0.085557961228 9166.9388753672 - 0.172826961247 17641.2803162952 - 0.258384801932 25522.9665853890 - 0.345653798685 33245.5717879719 - 0.434633950903 40849.5997707031 - 0.523614103745 48216.1898141425 - 0.612594256329 55368.1246120310 - 0.684462840468 60998.8930782736 - 0.865845456950 74671.6373648107 - 1.031827662867 86552.0185497691 - 1.368925545070 108963.4533877744 - 1.676933760423 127561.3352329005 - 0.135000084379 9390.4144021663 - 0.273000064923 17780.9614105568 - 0.411000048333 25636.9573930721 - 0.549000033679 33116.5817593740 - 0.690000020205 40445.1356536557 - 0.831000007934 47500.3891045264 - 0.971999996651 54310.9889909246 - 1.115999985983 61034.9785641250 - 1.406999966557 73970.7113441998 - 1.700999949204 86228.7259305046 - 2.000999933285 97963.8343233879 - 2.459999911540 114514.8609855372 - 0.157513119606 10157.5741300351 - 0.318176633014 19042.9437126991 - 0.639503732876 34954.5069260580 - 0.967131397635 49477.2463367286 - 1.297909338270 62805.6425752840 - 1.638138079669 75333.8784239877 - 1.981517082611 86903.3254595162 - 2.331196611410 97674.1163164950 - 2.684026390502 107579.8603431632 - 3.043156691338 116724.4991677334 - 0.090197254732 4925.9067921779 - 0.164374873814 8680.6540924359 - 0.301689279063 15239.9893877877 - 0.433369559716 21154.8171806063 - 0.562503733623 26650.3269033812 - 0.690376398234 31818.7205762693 - 0.817679607586 36704.9207521066 - 0.945954412927 41370.0326030844 - 1.073235674651 45740.2314640004 - 1.331101026602 53774.4135170174 + 0.067069203303 8825.4120593645 + 0.134138290007 17022.1546620126 + 0.202548756683 25077.5697842508 + 0.270959222377 32919.7198816064 + 0.340711068548 40744.0357904738 + 0.409121533313 48276.9624332768 + 0.478873378857 55832.0262670986 + 0.549966606237 63414.9473549112 + 0.690811679564 78122.9842670336 + 0.834339515552 92721.3967507031 + 0.979208732289 107090.2168229962 + 1.052984722092 114273.6657941439 + 0.085557961228 9166.9388536402 + 0.172826961247 17641.2802573432 + 0.258384801932 25522.9664797095 + 0.345653798685 33245.5716273921 + 0.434633950903 40849.5995708651 + 0.523614103745 48216.1895393308 + 0.612594256329 55368.1242738116 + 0.684462840468 60998.8926867209 + 0.865845456950 74671.6368383332 + 1.031827662867 86552.0178977150 + 1.368925545070 108963.4524855574 + 1.676933760423 127561.3341158216 + 0.135000084379 9390.4143669407 + 0.273000064923 17780.9613272513 + 0.411000048333 25636.9572581484 + 0.549000033679 33116.5815719232 + 0.690000020205 40445.1354129760 + 0.831000007934 47500.3888118682 + 0.971999996651 54310.9886480247 + 1.115999985983 61034.9781720104 + 1.406999966557 73970.7108597345 + 1.700999949204 86228.7253627504 + 2.000999933285 97963.8336808917 + 2.459999911540 114514.8602476307 + 0.157513119606 10157.5741116120 + 0.318176633014 19042.9436778670 + 0.639503732876 34954.5068652333 + 0.967131397635 49477.2462576900 + 1.297909338270 62805.6424846092 + 1.638138079669 75333.8783267327 + 1.981517082611 86903.3253597327 + 2.331196611410 97674.1162172200 + 2.684026390502 107579.8602466426 + 3.043156691338 116724.4990756082 + 0.090197254732 4925.9067802673 + 0.164374873814 8680.6540707511 + 0.301689279063 15239.9893479561 + 0.433369559716 21154.8171239310 + 0.562503733623 26650.3268312064 + 0.690376398234 31818.7204900573 + 0.817679607586 36704.9206534422 + 0.945954412927 41370.0324935833 + 1.073235674651 45740.2313455752 + 1.331101026602 53774.4133864326 diff --git a/mytest/salt_sc.out b/mytest/salt_sc.out index 043a2f73c..e7d98db2a 100644 --- a/mytest/salt_sc.out +++ b/mytest/salt_sc.out @@ -974,7 +974,6 @@ H(0) 1.460e-25 H2 7.302e-26 7.447e-26 -25.137 -25.128 0.009 28.61 Na 8.527e-02 Na+ 8.527e-02 6.786e-02 -1.069 -1.168 -0.099 -1.40 - NaOH 4.542e-19 4.632e-19 -18.343 -18.334 0.009 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.776 -43.768 0.009 29.98 @@ -1042,7 +1041,6 @@ H(0) 1.431e-25 H2 7.157e-26 7.447e-26 -25.145 -25.128 0.017 28.61 Na 1.728e-01 Na+ 1.728e-01 1.308e-01 -0.762 -0.883 -0.121 -1.24 - NaOH 8.554e-19 8.902e-19 -18.068 -18.051 0.017 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.788 -43.770 0.017 29.98 @@ -1110,7 +1108,6 @@ H(0) 1.403e-25 H2 7.015e-26 7.447e-26 -25.154 -25.128 0.026 28.61 Na 2.596e-01 Na+ 2.596e-01 1.916e-01 -0.586 -0.718 -0.132 -1.12 - NaOH 1.224e-18 1.300e-18 -17.912 -17.886 0.026 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.799 -43.773 0.026 29.98 @@ -1178,7 +1175,6 @@ H(0) 1.375e-25 H2 6.874e-26 7.447e-26 -25.163 -25.128 0.035 28.61 Na 3.477e-01 Na+ 3.477e-01 2.529e-01 -0.459 -0.597 -0.138 -1.02 - NaOH 1.579e-18 1.711e-18 -17.802 -17.767 0.035 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.810 -43.775 0.035 29.98 @@ -1246,7 +1242,6 @@ H(0) 1.347e-25 H2 6.733e-26 7.447e-26 -25.172 -25.128 0.044 28.61 Na 4.381e-01 Na+ 4.381e-01 3.162e-01 -0.358 -0.500 -0.142 -0.93 - NaOH 1.928e-18 2.132e-18 -17.715 -17.671 0.044 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.822 -43.778 0.044 29.98 @@ -1314,7 +1309,6 @@ H(0) 1.319e-25 H2 6.593e-26 7.447e-26 -25.181 -25.128 0.053 28.61 Na 5.288e-01 Na+ 5.288e-01 3.804e-01 -0.277 -0.420 -0.143 -0.86 - NaOH 2.264e-18 2.557e-18 -17.645 -17.592 0.053 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.834 -43.781 0.053 29.98 @@ -1382,7 +1376,6 @@ H(0) 1.291e-25 H2 6.457e-26 7.447e-26 -25.190 -25.128 0.062 28.61 Na 6.199e-01 Na+ 6.199e-01 4.458e-01 -0.208 -0.351 -0.143 -0.78 - NaOH 2.590e-18 2.987e-18 -17.587 -17.525 0.062 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.846 -43.784 0.062 29.98 @@ -1450,7 +1443,6 @@ H(0) 1.270e-25 H2 6.348e-26 7.447e-26 -25.197 -25.128 0.069 28.61 Na 6.937e-01 Na+ 6.937e-01 4.998e-01 -0.159 -0.301 -0.142 -0.73 - NaOH 2.847e-18 3.340e-18 -17.546 -17.476 0.069 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.855 -43.786 0.069 29.98 @@ -1518,7 +1510,6 @@ H(0) 1.216e-25 H2 6.079e-26 7.447e-26 -25.216 -25.128 0.088 28.61 Na 8.814e-01 Na+ 8.814e-01 6.411e-01 -0.055 -0.193 -0.138 -0.61 - NaOH 3.475e-18 4.257e-18 -17.459 -17.371 0.088 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.880 -43.792 0.088 29.98 @@ -1586,7 +1577,6 @@ H(0) 1.169e-25 H2 5.843e-26 7.447e-26 -25.233 -25.128 0.105 28.61 Na 1.054e+00 Na+ 1.054e+00 7.768e-01 0.023 -0.110 -0.132 -0.50 - NaOH 4.023e-18 5.127e-18 -17.395 -17.290 0.105 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.902 -43.797 0.105 29.98 @@ -1654,7 +1644,6 @@ H(0) 1.077e-25 H2 5.386e-26 7.447e-26 -25.269 -25.128 0.141 28.61 Na 1.407e+00 Na+ 1.407e+00 1.076e+00 0.148 0.032 -0.117 -0.32 - NaOH 5.072e-18 7.013e-18 -17.295 -17.154 0.141 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.948 -43.808 0.141 29.98 @@ -1722,7 +1711,6 @@ H(0) 9.989e-26 H2 4.995e-26 7.447e-26 -25.301 -25.128 0.173 28.61 Na 1.735e+00 Na+ 1.735e+00 1.381e+00 0.239 0.140 -0.099 -0.17 - NaOH 5.967e-18 8.898e-18 -17.224 -17.051 0.173 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.991 -43.818 0.173 29.98 diff --git a/mytest/salt_sc1_101.sel b/mytest/salt_sc1_101.sel index c6eaa18fb..d07a3bce7 100644 --- a/mytest/salt_sc1_101.sel +++ b/mytest/salt_sc1_101.sel @@ -1,67 +1,67 @@ Mu SC - 0.069723958711 8283.3266223279 - 0.139828984955 16025.1063821536 - 0.211732057212 23680.6413482598 - 0.284038337761 31179.3949342146 - 0.358181058185 38706.9295761713 - 0.431312073282 45997.9387371120 - 0.506302893810 53354.0124718374 - 0.583182167429 60781.5584392782 - 0.736836337063 75316.1604045909 - 0.895285367014 89910.9456232855 - 1.057162132255 104441.3005161621 - 1.140362580334 111767.0643312483 - 0.088883989974 8556.3555272406 - 0.179920544532 16500.6394218757 - 0.269541997243 23920.4707199263 - 0.361335566925 31219.8773600565 - 0.455326298199 38435.5177043285 - 0.549720744425 45452.4129087609 - 0.644521511397 52289.5042022817 - 0.721389782936 57689.1838454069 - 0.916586361476 70860.3588884740 - 1.096725823565 82369.7961841703 - 1.467110879352 104225.2979908507 - 1.810954000804 122470.8095393892 - 0.140224407149 8751.2344732146 - 0.284108860269 16605.9693363193 - 0.428546514470 23991.7580196353 - 0.573540568124 31052.2333593304 - 0.722264692737 37997.2006914934 - 0.871576497670 44708.5021829731 - 1.021479473293 51210.5329913937 - 1.175185702558 57652.2523660824 - 1.487709091243 70105.9626412616 - 1.806074547057 81977.5016976504 - 2.133686266797 93400.0268445884 - 2.640387662596 109584.2293015137 - 0.163518993740 9447.5832874720 - 0.330755332751 17727.1939162856 - 0.666589457640 32589.7267419368 - 1.010890267773 46192.7734726772 - 1.360445086087 58705.2034733273 - 1.722041651122 70485.0744605483 - 2.089116978133 81370.6290006042 - 2.465146732692 91498.4677541950 - 2.846854009979 100790.9077792780 - 3.237761017640 109328.8673393265 - 0.184017269619 5533.7642625156 - 0.372139310966 8986.0129033210 - 0.753385080406 14395.1172373684 - 1.143851996103 19189.1502184298 - 1.543658359832 23743.6676868641 - 1.952926141114 28137.4921800623 - 2.371781077026 32370.2207739860 - 2.804155258043 36443.1705840414 - 3.242597240653 40234.2417654140 - 4.157316912590 46885.2381481764 + 0.069723958711 8283.3266160133 + 0.139828984955 16025.1063635164 + 0.211732057212 23680.6413132967 + 0.284038337761 31179.3948800145 + 0.358181058185 38706.9294999003 + 0.431312073282 45997.9386371503 + 0.506302893810 53354.0123459197 + 0.583182167429 60781.5582852715 + 0.736836337063 75316.1601908355 + 0.895285367014 89910.9453441232 + 1.057162132255 104441.3001674759 + 1.140362580334 111767.0639461192 + 0.088883989974 8556.3555135534 + 0.179920544532 16500.6393830372 + 0.269541997243 23920.4706497852 + 0.361335566925 31219.8772528427 + 0.455326298199 38435.5175550067 + 0.549720744425 45452.4127137443 + 0.644521511397 52289.5039585848 + 0.721389782936 57689.1835605542 + 0.916586361476 70860.3584940089 + 1.096725823565 82369.7956842141 + 1.467110879352 104225.2972693509 + 1.810954000804 122470.8086157252 + 0.140224407149 8751.2344455196 + 0.284108860269 16605.9692522617 + 0.428546514470 23991.7578551466 + 0.573540568124 31052.2330908724 + 0.722264692737 37997.2002922685 + 0.871576497670 44708.5016275919 + 1.021479473293 51210.5322536478 + 1.175185702558 57652.2514140108 + 1.487709091243 70105.9611643830 + 1.806074547057 81977.4995557988 + 2.133686266797 93400.0238697535 + 2.640387662596 109584.2247098655 + 0.163518993740 9447.5832554381 + 0.330755332751 17727.1938239596 + 0.666589457640 32589.7264679582 + 1.010890267773 46192.7729422356 + 1.360445086087 58705.2026195806 + 1.722041651122 70485.0732127630 + 2.089116978133 81370.6272967271 + 2.465146732692 91498.4655300974 + 2.846854009979 100790.9049780092 + 3.237761017640 109328.8639021751 + 0.184017269619 5533.7642188060 + 0.372139310966 8986.0128005917 + 0.753385080406 14395.1169944335 + 1.143851996103 19189.1498092689 + 1.543658359832 23743.6670885021 + 1.952926141114 28137.4913725305 + 2.371781077026 32370.2197406869 + 2.804155258043 36443.1693103076 + 3.242597240653 40234.2402458317 + 4.157316912590 46885.2361358103 0.000000084257 0.0448030269 - 0.186600129626 7807.2474468020 - 0.375000148952 12797.6239052046 - 0.567000164278 16601.3190307531 - 0.760800177512 19598.8523707613 - 0.960000189674 22038.5977235899 - 1.161600200964 23991.4877714613 - 1.366200211658 25540.6402997636 - 1.575000221968 26743.5525587772 - 1.787400231964 27630.0864337459 + 0.186600129626 7807.2474468016 + 0.375000148952 12797.6239052039 + 0.567000164278 16601.3190307520 + 0.760800177512 19598.8523707599 + 0.960000189674 22038.5977235882 + 1.161600200964 23991.4877714592 + 1.366200211658 25540.6402997611 + 1.575000221968 26743.5525587742 + 1.787400231964 27630.0864337424 diff --git a/mytest/salt_sc_101.sel b/mytest/salt_sc_101.sel index b0403609e..3bb390cbc 100644 --- a/mytest/salt_sc_101.sel +++ b/mytest/salt_sc_101.sel @@ -1,76 +1,76 @@ Mu SC - 0.067242968112 8002.2059164487 - 0.134734412116 15473.2984179505 - 0.203492115993 22814.5009874628 - 0.272514771146 29995.6037479204 - 0.343848314494 37263.0774946076 - 0.414445499838 44327.1746776239 - 0.485327132942 51307.9370341107 - 0.558564160396 58415.0518777000 - 0.704927166334 72329.9518898466 - 0.855695327572 86299.7859625605 - 1.008862623604 100144.6817642484 - 1.086498876136 107035.2352761270 - 0.085274504564 8229.7729051142 - 0.172815447083 15897.5167932669 - 0.259617486259 23114.3584107995 - 0.347706178216 30152.8370125334 - 0.438114846865 37132.0586461581 - 0.528827733737 43917.9240724484 - 0.619850432623 50529.5538010826 - 0.693717131404 55759.7014871690 - 0.881373572703 68539.5757260983 - 1.053733017675 79677.1069012517 - 1.407296446004 100854.4197336047 - 1.734892997813 118597.7047456245 - 0.135358661530 8473.2193384220 - 0.273977170797 16071.7546469558 - 0.412862453920 23208.4300486621 - 0.552023473126 30023.7552443119 - 0.694502516214 36721.4843617458 - 0.837284871197 43188.7113164862 - 0.980377469911 49450.0328859588 - 1.126841655058 55649.7690819717 - 1.423857429815 67628.3586696706 - 1.725387989874 79042.7896338029 - 2.034632392984 90028.2703285414 - 2.510951207302 105615.6482421373 - 0.156406850076 9075.6433014236 - 0.319117051770 17174.8995982017 - 0.642455222370 31580.6881642981 - 0.973192294744 44769.8767475470 - 1.308437873585 56917.4587862682 - 1.657523155073 68463.3296013999 - 2.008371395579 79063.6182084974 - 2.370372762781 89039.3504007611 - 2.734407014424 98153.6528648724 - 3.109979325214 106644.2854124272 - 0.091989164211 4432.0156210163 - 0.167393720872 7753.2659289823 - 0.310529660532 13556.4644424995 - 0.452306296347 18740.1697840486 - 0.595659650021 23459.7279377631 - 0.741870745299 27769.7861515787 - 0.890085760629 31655.1363097811 - 1.044062229965 35213.1343098202 - 1.200978508659 38376.5941137213 - 1.362807072436 41190.8113715729 - 1.529870627745 43660.5046892093 - 1.879168455496 47569.2776621598 - 2.252776987933 50173.3772999289 - 2.654712070764 51532.8413760895 - 3.085399623882 51721.0444632670 - 3.548935252243 50861.1760383558 - 4.049662411167 49105.2358210414 - 4.585808558780 46664.1573182485 - 5.163712927069 43731.1975444447 + 0.067242968112 8002.2059117633 + 0.134734412116 15473.2984025096 + 0.203492115993 22814.5009570567 + 0.272514771146 29995.6036992415 + 0.343848314494 37263.0774241433 + 0.414445499838 44327.1745830612 + 0.485327132942 51307.9369130926 + 0.558564160396 58415.0517272068 + 0.704927166334 72329.9516747186 + 0.855695327572 86299.7856740014 + 1.008862623604 100144.6813951437 + 1.086498876136 107035.2348642314 + 0.085274504564 8229.7728915904 + 0.172815447083 15897.5167556854 + 0.259617486259 23114.3583435395 + 0.347706178216 30152.8369109194 + 0.438114846865 37132.0585059448 + 0.528827733737 43917.9238909093 + 0.619850432623 50529.5535760897 + 0.693717131404 55759.7012258011 + 0.881373572703 68539.5753694061 + 1.053733017675 79677.1064552583 + 1.407296446004 100854.4191062892 + 1.734892997813 118597.7039595897 + 0.135358661530 8473.2193131816 + 0.273977170797 16071.7545824953 + 0.412862453920 23208.4299381035 + 0.552023473126 30023.7550832476 + 0.694502516214 36721.4841460384 + 0.837284871197 43188.7110441077 + 0.980377469911 49450.0325556484 + 1.126841655058 55649.7686918026 + 1.423857429815 67628.3581582845 + 1.725387989874 79042.7890019870 + 2.034632392984 90028.2695781052 + 2.510951207302 105615.6473219838 + 0.156406850076 9075.6432690527 + 0.319117051770 17174.8995191395 + 0.642455222370 31580.6879797475 + 0.973192294744 44769.8764514133 + 1.308437873585 56917.4583807300 + 1.657523155073 68463.3290896600 + 2.008371395579 79063.6175998921 + 2.370372762781 89039.3497035990 + 2.734407014424 98153.6520907682 + 3.109979325214 106644.2845717749 + 0.091989164211 4432.0156081117 + 0.167393720872 7753.2659048776 + 0.310529660532 13556.4643985904 + 0.452306296347 18740.1697243416 + 0.595659650021 23459.7278666689 + 0.741870745299 27769.7860733896 + 0.890085760629 31655.1362283703 + 1.044062229965 35213.1342284014 + 1.200978508659 38376.5940348733 + 1.362807072436 41190.8112972383 + 1.529870627745 43660.5046207578 + 1.879168455496 47569.2776075732 + 2.252776987933 50173.3772596451 + 2.654712070764 51532.8413486715 + 3.085399623882 51721.0444462215 + 3.548935252243 50861.1760289565 + 4.049662411167 49105.2358167756 + 4.585808558780 46664.1573170461 + 5.163712927069 43731.1975448414 0.000000084272 0.0448299058 - 0.186600076458 8581.0154471589 - 0.375000074468 15185.6212965679 - 0.567000073352 21059.7300363079 - 0.760800072923 26444.3549319136 - 0.960000072859 31576.2031378424 - 1.161600073063 36454.3142931923 - 1.366200073657 41146.9098165046 - 1.575000074378 45715.2469603880 - 1.787400074682 50169.3129518887 + 0.186600076458 8581.0154471588 + 0.375000074468 15185.6212965677 + 0.567000073352 21059.7300363077 + 0.760800072923 26444.3549319134 + 0.960000072859 31576.2031378422 + 1.161600073063 36454.3142931920 + 1.366200073657 41146.9098165043 + 1.575000074378 45715.2469603876 + 1.787400074682 50169.3129518883 diff --git a/mytest/samemodel.out b/mytest/samemodel.out index 7a0270de0..1ee2028a2 100644 --- a/mytest/samemodel.out +++ b/mytest/samemodel.out @@ -118,7 +118,7 @@ CO2(g) -3.00 -4.47 -1.47 1.000e+01 1.000e+01 -3.793e-05 Specific Conductance (µS/cm, 25°C) = 1 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89003 + Viscosity (mPa s) = 0.89004 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.901e-06 Mass of water (kg) = 1.000e+00 @@ -226,7 +226,7 @@ CO2(g) -3.00 -4.47 -1.47 1.000e+01 1.000e+01 -3.793e-05 Specific Conductance (µS/cm, 25°C) = 1 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89003 + Viscosity (mPa s) = 0.89004 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.901e-06 Mass of water (kg) = 1.000e+00 @@ -312,7 +312,7 @@ CO2(g) -2.00 -3.47 -1.47 1.000e+01 1.000e+01 -3.526e-04 Specific Conductance (µS/cm, 25°C) = 4 Density (g/cm³) = 0.99705 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89008 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.235e-05 Mass of water (kg) = 1.000e+00 @@ -398,7 +398,7 @@ CO2(g) -1.00 -2.47 -1.47 1.000e+01 9.997e+00 -3.440e-03 Specific Conductance (µS/cm, 25°C) = 15 Density (g/cm³) = 0.99708 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89005 + Viscosity (mPa s) = 0.89035 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.917e-05 Mass of water (kg) = 1.000e+00 @@ -548,7 +548,7 @@ CO2(g) -3.00 -4.47 -1.47 1.000e+01 1.000e+01 -3.793e-05 Specific Conductance (µS/cm, 25°C) = 1 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89003 + Viscosity (mPa s) = 0.89004 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.901e-06 Mass of water (kg) = 1.000e+00 @@ -634,7 +634,7 @@ CO2(g) -2.00 -3.47 -1.47 1.000e+01 1.000e+01 -3.526e-04 Specific Conductance (µS/cm, 25°C) = 4 Density (g/cm³) = 0.99705 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89004 + Viscosity (mPa s) = 0.89008 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.235e-05 Mass of water (kg) = 1.000e+00 @@ -720,7 +720,7 @@ CO2(g) -1.00 -2.47 -1.47 1.000e+01 9.997e+00 -3.440e-03 Specific Conductance (µS/cm, 25°C) = 15 Density (g/cm³) = 0.99708 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89005 + Viscosity (mPa s) = 0.89035 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.917e-05 Mass of water (kg) = 1.000e+00 diff --git a/mytest/samemodel_101.sel b/mytest/samemodel_101.sel index 853092245..e0cbb0576 100644 --- a/mytest/samemodel_101.sel +++ b/mytest/samemodel_101.sel @@ -1,13 +1,13 @@ Mu SC 0.000000100661 0.0546997340 - 0.000003900693 1.5268123377 - 0.000003900693 1.5268123377 - 0.000012352848 4.8315454290 - 0.000039174182 15.3034587729 + 0.000003900693 1.5267846719 + 0.000003900693 1.5267846719 + 0.000012352848 4.8310701627 + 0.000039174182 15.2928425280 0.000000100661 0.0546997700 - 0.000003900693 1.5268122156 - 0.000012352848 4.8315453051 - 0.000039174182 15.3034586491 + 0.000003900693 1.5267845497 + 0.000012352848 4.8310700389 + 0.000039174182 15.2928424043 0.000000100686 0.0547010456 - 0.000000100650 0.0546923835 - 0.000000101053 0.0547880046 + 0.000000100650 0.0546923836 + 0.000000101053 0.0547880047 diff --git a/mytest/saver.out b/mytest/saver.out index b89ec87eb..7b6375c0c 100644 --- a/mytest/saver.out +++ b/mytest/saver.out @@ -384,7 +384,6 @@ Na 4.855e-01 NaHCO3 1.963e-04 2.673e-04 -3.707 -3.573 0.134 31.73 NaF 3.858e-06 4.503e-06 -5.414 -5.346 0.067 7.26 NaHPO4- 2.702e-08 1.825e-08 -7.568 -7.739 -0.170 81.25 - NaOH 4.773e-17 5.571e-17 -16.321 -16.254 0.067 (0) O(0) 4.380e-04 O2 2.190e-04 2.556e-04 -3.660 -3.592 0.067 30.40 P 6.548e-07 @@ -584,11 +583,11 @@ Aragonite -0.14 -8.48 -8.34 2.500e+00 0 -2.500e+00 Calcite 0.00 -8.48 -8.48 1.000e+00 3.881e+00 2.881e+00 Chalcedony 0.00 -3.55 -3.55 2.100e+00 9.989e-02 -2.000e+00 Dolomite 0.00 -17.08 -17.08 1.000e+00 6.685e-01 -3.315e-01 -FeS(ppt) -0.00 -3.92 -3.92 1.000e+00 9.648e-01 -3.521e-02 +FeS(ppt) 0.00 -3.91 -3.92 1.000e+00 9.648e-01 -3.521e-02 Gibbsite -0.85 7.26 8.11 2.000e+00 0 -2.000e+00 -Goethite -0.00 -1.00 -1.00 1.000e+00 7.602e-01 -2.398e-01 +Goethite 0.00 -1.00 -1.00 1.000e+00 7.602e-01 -2.398e-01 Gypsum 0.00 -4.58 -4.58 1.000e+00 2.048e+00 1.048e+00 -Kaolinite -0.00 7.43 7.43 5.000e+00 6.000e+00 1.000e+00 +Kaolinite 0.00 7.44 7.43 5.000e+00 6.000e+00 1.000e+00 Siderite 0.00 -10.89 -10.89 1.000e+00 1.272e+00 2.722e-01 Sulfur -2.41 2.47 4.88 0.000e+00 0 0.000e+00 @@ -666,10 +665,10 @@ X 3.000e+00 mol pH = 5.976 Charge balance pe = -2.144 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 85151 + Specific Conductance (µS/cm, 25°C) = 85125 Density (g/cm³) = 1.04285 Volume (L) = 1.00559 - Viscosity (mPa s) = 1.03729 + Viscosity (mPa s) = 1.03769 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.396e+00 Mass of water (kg) = 9.868e-01 @@ -678,7 +677,7 @@ X 3.000e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = -7.066e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 94 + Iterations = 35 Total H = 1.095600e+02 Total O = 5.486603e+01 @@ -873,7 +872,6 @@ Na 5.113e-01 NaHCO3 2.779e-04 5.287e-04 -3.556 -3.277 0.279 31.73 NaF 2.102e-06 2.900e-06 -5.677 -5.538 0.140 7.26 NaHPO4- 5.619e-09 3.589e-09 -8.250 -8.445 -0.195 132.46 - NaOH 2.582e-19 3.561e-19 -18.588 -18.448 0.140 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.919 -70.779 0.140 30.40 P 6.636e-07 @@ -957,10 +955,10 @@ Sr 1.619e-05 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Epsomite -3.04 -4.78 -1.74 MgSO4:7H2O Fe(OH)3(a) -5.91 -1.01 4.89 Fe(OH)3 - FeS(ppt) -0.00 -3.92 -3.92 FeS + FeS(ppt) 0.00 -3.91 -3.92 FeS Fluorite -0.49 -11.09 -10.60 CaF2 Gibbsite -0.85 7.26 8.11 Al(OH)3 - Goethite -0.00 -1.00 -1.00 FeOOH + Goethite 0.00 -1.00 -1.00 FeOOH Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -7.71 -10.81 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O @@ -974,9 +972,9 @@ Sr 1.619e-05 Jarosite-K -21.41 -30.62 -9.21 KFe3(SO4)2(OH)6 K-feldspar -2.73 -23.31 -20.57 KAlSi3O8 K-mica 1.21 13.91 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Kieserite -3.53 -4.69 -1.16 MgSO4:H2O - Mackinawite 0.73 -3.92 -4.65 FeS + Mackinawite 0.73 -3.91 -4.65 FeS Manganite -19.34 6.00 25.34 MnOOH Melanterite -4.85 -7.06 -2.21 FeSO4:7H2O Mirabilite -2.96 -4.20 -1.24 Na2SO4:10H2O @@ -1055,10 +1053,10 @@ Chalcedony 0.00 -3.44 -3.44 2.100e+00 9.987e-02 -2.000e+00 Dolomite 0.00 -17.28 -17.28 1.000e+00 6.241e-01 -3.759e-01 FeS(ppt) 0.00 -3.91 -3.92 1.000e+00 9.346e-01 -6.541e-02 Gibbsite -0.84 6.73 7.57 2.000e+00 0 -2.000e+00 -Goethite 0.00 -1.34 -1.34 1.000e+00 5.182e-01 -4.818e-01 -Gypsum -0.00 -4.59 -4.59 1.000e+00 2.082e+00 1.082e+00 +Goethite -0.00 -1.34 -1.34 1.000e+00 5.182e-01 -4.818e-01 +Gypsum 0.00 -4.59 -4.59 1.000e+00 2.082e+00 1.082e+00 Kaolinite 0.00 6.60 6.60 5.000e+00 6.000e+00 1.000e+00 -Siderite 0.00 -10.95 -10.95 1.000e+00 1.542e+00 5.423e-01 +Siderite -0.00 -10.95 -10.95 1.000e+00 1.542e+00 5.423e-01 Sulfur -2.25 2.40 4.66 0.000e+00 0 0.000e+00 ------------------------------Surface composition------------------------------ @@ -1098,7 +1096,7 @@ X 3.000e+00 mol MgX2 2.606e-01 5.213e-01 1.738e-01 -0.411 KX 9.250e-03 9.250e-03 3.083e-03 -0.250 FeX2 2.224e-03 4.447e-03 1.482e-03 -0.777 - NH4X 1.865e-03 1.865e-03 6.217e-04 -0.000 + NH4X 1.865e-03 1.865e-03 6.217e-04 0.000 SrX2 7.260e-05 1.452e-04 4.840e-05 -0.603 LiX 1.499e-05 1.499e-05 4.998e-06 -0.194 BaX2 1.134e-07 2.268e-07 7.562e-08 -0.713 @@ -1135,10 +1133,10 @@ X 3.000e+00 mol pH = 5.623 Charge balance pe = -1.963 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 134414 + Specific Conductance (µS/cm, 35°C) = 134357 Density (g/cm³) = 1.05811 Volume (L) = 1.02160 - Viscosity (mPa s) = 0.90531 + Viscosity (mPa s) = 0.90578 Activity of water = 0.954 Ionic strength (mol/kgw) = 2.083e+00 Mass of water (kg) = 9.923e-01 @@ -1147,7 +1145,7 @@ X 3.000e+00 mol Temperature (°C) = 35.00 Electrical balance (eq) = -8.902e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 28 + Iterations = 16 Total H = 1.101684e+02 Total O = 5.516144e+01 @@ -1342,7 +1340,6 @@ Na 6.084e-01 NaHCO3 2.758e-04 7.199e-04 -3.559 -3.143 0.417 31.62 NaF 1.238e-06 2.000e-06 -5.907 -5.699 0.208 7.59 NaHPO4- 2.207e-09 1.362e-09 -8.656 -8.866 -0.210 201.59 - NaOH 2.582e-19 4.171e-19 -18.588 -18.380 0.208 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.481 -68.273 0.208 31.10 P 6.599e-07 @@ -1429,8 +1426,8 @@ Sr 2.388e-05 FeS(ppt) 0.00 -3.91 -3.92 FeS Fluorite -0.85 -11.35 -10.49 CaF2 Gibbsite -0.84 6.73 7.57 Al(OH)3 - Goethite 0.00 -1.34 -1.34 FeOOH - Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O + Goethite -0.00 -1.34 -1.34 FeOOH + Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -7.39 -10.51 -3.12 H2 H2O(g) -1.28 -0.02 1.26 H2O H2S(g) -3.82 -11.74 -7.92 H2S @@ -1459,7 +1456,7 @@ Sr 2.388e-05 Rhodochrosite -6.11 -17.27 -11.16 MnCO3 Sepiolite -5.82 9.69 15.51 Mg2Si3O7.5OH:3H2O Sepiolite(d) -8.97 9.69 18.66 Mg2Si3O7.5OH:3H2O - Siderite 0.00 -10.95 -10.95 FeCO3 + Siderite -0.00 -10.95 -10.95 FeCO3 SiO2(a) -0.81 -3.44 -2.63 SiO2 Strontianite -3.47 -12.76 -9.29 SrCO3 Sulfur -2.25 2.40 4.66 S @@ -1539,15 +1536,15 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.28 -4.55 -4.28 1.000e+00 0 -1.000e+00 Aragonite -0.14 -8.48 -8.34 2.500e+00 0 -2.500e+00 -Calcite 0.00 -8.48 -8.48 1.000e+00 3.881e+00 2.881e+00 +Calcite -0.00 -8.48 -8.48 1.000e+00 3.881e+00 2.881e+00 Chalcedony 0.00 -3.55 -3.55 2.100e+00 9.989e-02 -2.000e+00 Dolomite 0.00 -17.08 -17.08 1.000e+00 6.685e-01 -3.315e-01 FeS(ppt) 0.00 -3.91 -3.92 1.000e+00 9.648e-01 -3.521e-02 Gibbsite -0.85 7.26 8.11 2.000e+00 0 -2.000e+00 -Goethite 0.00 -1.00 -1.00 1.000e+00 7.602e-01 -2.398e-01 +Goethite -0.00 -1.00 -1.00 1.000e+00 7.602e-01 -2.398e-01 Gypsum 0.00 -4.58 -4.58 1.000e+00 2.048e+00 1.048e+00 Kaolinite -0.00 7.43 7.43 5.000e+00 6.000e+00 1.000e+00 -Siderite 0.00 -10.89 -10.89 1.000e+00 1.272e+00 2.722e-01 +Siderite -0.00 -10.89 -10.89 1.000e+00 1.272e+00 2.722e-01 Sulfur -2.41 2.47 4.88 0.000e+00 0 0.000e+00 ------------------------------Surface composition------------------------------ @@ -1624,10 +1621,10 @@ X 3.000e+00 mol pH = 5.976 Charge balance pe = -2.144 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 85151 + Specific Conductance (µS/cm, 25°C) = 85125 Density (g/cm³) = 1.04285 Volume (L) = 1.00559 - Viscosity (mPa s) = 1.03729 + Viscosity (mPa s) = 1.03769 Activity of water = 0.968 Ionic strength (mol/kgw) = 1.396e+00 Mass of water (kg) = 9.868e-01 @@ -1636,7 +1633,7 @@ X 3.000e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = -7.066e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 22 + Iterations = 25 Total H = 1.095600e+02 Total O = 5.486603e+01 @@ -1831,7 +1828,6 @@ Na 5.113e-01 NaHCO3 2.779e-04 5.287e-04 -3.556 -3.277 0.279 31.73 NaF 2.102e-06 2.900e-06 -5.677 -5.538 0.140 7.26 NaHPO4- 5.619e-09 3.589e-09 -8.250 -8.445 -0.195 132.46 - NaOH 2.582e-19 3.561e-19 -18.588 -18.448 0.140 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.919 -70.779 0.140 30.40 P 6.636e-07 @@ -1905,7 +1901,7 @@ Sr 1.619e-05 Arcanite -7.83 -9.71 -1.88 K2SO4 Barite -1.72 -11.57 -9.84 BaSO4 Ca-Montmorillonite -2.11 -47.14 -45.03 Ca0.165Al2.33Si3.67O10(OH)2 - Calcite 0.00 -8.48 -8.48 CaCO3 + Calcite -0.00 -8.48 -8.48 CaCO3 Celestite -2.00 -8.66 -6.66 SrSO4 CH4(g) -5.85 -8.65 -2.80 CH4 Pressure 0.0 atm, phi 0.998 Chalcedony 0.00 -3.55 -3.55 SiO2 @@ -1918,7 +1914,7 @@ Sr 1.619e-05 FeS(ppt) 0.00 -3.91 -3.92 FeS Fluorite -0.49 -11.09 -10.60 CaF2 Gibbsite -0.85 7.26 8.11 Al(OH)3 - Goethite 0.00 -1.00 -1.00 FeOOH + Goethite -0.00 -1.00 -1.00 FeOOH Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -7.71 -10.81 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O @@ -1948,7 +1944,7 @@ Sr 1.619e-05 Rhodochrosite -5.78 -16.91 -11.13 MnCO3 Sepiolite -5.49 10.27 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -8.39 10.27 18.66 Mg2Si3O7.5OH:3H2O - Siderite 0.00 -10.89 -10.89 FeCO3 + Siderite -0.00 -10.89 -10.89 FeCO3 SiO2(a) -0.84 -3.55 -2.71 SiO2 Strontianite -3.31 -12.58 -9.27 SrCO3 Sulfur -2.41 2.47 4.88 S @@ -2009,9 +2005,9 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.16 -4.55 -4.39 1.000e+00 0 -1.000e+00 Aragonite -0.16 -8.56 -8.41 2.500e+00 0 -2.500e+00 Calcite 0.00 -8.56 -8.56 1.000e+00 3.692e+00 2.692e+00 -Chalcedony -0.00 -3.44 -3.44 2.100e+00 9.987e-02 -2.000e+00 -Dolomite -0.00 -17.28 -17.28 1.000e+00 6.241e-01 -3.759e-01 -FeS(ppt) -0.00 -3.92 -3.92 1.000e+00 9.346e-01 -6.541e-02 +Chalcedony 0.00 -3.44 -3.44 2.100e+00 9.987e-02 -2.000e+00 +Dolomite 0.00 -17.28 -17.28 1.000e+00 6.241e-01 -3.759e-01 +FeS(ppt) 0.00 -3.91 -3.92 1.000e+00 9.346e-01 -6.541e-02 Gibbsite -0.84 6.73 7.57 2.000e+00 0 -2.000e+00 Goethite -0.00 -1.34 -1.34 1.000e+00 5.182e-01 -4.818e-01 Gypsum 0.00 -4.59 -4.59 1.000e+00 2.082e+00 1.082e+00 @@ -2093,10 +2089,10 @@ X 3.000e+00 mol pH = 5.623 Charge balance pe = -1.963 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 134414 + Specific Conductance (µS/cm, 35°C) = 134357 Density (g/cm³) = 1.05811 Volume (L) = 1.02160 - Viscosity (mPa s) = 0.90531 + Viscosity (mPa s) = 0.90578 Activity of water = 0.954 Ionic strength (mol/kgw) = 2.083e+00 Mass of water (kg) = 9.923e-01 @@ -2105,7 +2101,7 @@ X 3.000e+00 mol Temperature (°C) = 35.00 Electrical balance (eq) = -8.902e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 17 + Iterations = 16 Total H = 1.101684e+02 Total O = 5.516144e+01 @@ -2300,7 +2296,6 @@ Na 6.084e-01 NaHCO3 2.758e-04 7.199e-04 -3.559 -3.143 0.417 31.62 NaF 1.238e-06 2.000e-06 -5.907 -5.699 0.208 7.59 NaHPO4- 2.207e-09 1.362e-09 -8.656 -8.866 -0.210 201.59 - NaOH 2.582e-19 4.171e-19 -18.588 -18.380 0.208 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.481 -68.273 0.208 31.10 P 6.599e-07 @@ -2377,14 +2372,14 @@ Sr 2.388e-05 Calcite 0.00 -8.56 -8.56 CaCO3 Celestite -2.03 -8.75 -6.71 SrSO4 CH4(g) -5.50 -8.38 -2.88 CH4 Pressure 0.0 atm, phi 0.998 - Chalcedony -0.00 -3.44 -3.44 SiO2 + Chalcedony 0.00 -3.44 -3.44 SiO2 Chlorite(14A) -11.47 53.30 64.78 Mg5Al2Si3O10(OH)8 Chrysotile -7.81 23.19 31.00 Mg3Si2O5(OH)4 CO2(g) -0.61 -2.19 -1.58 CO2 Pressure 0.2 atm, phi 0.996 - Dolomite -0.00 -17.28 -17.28 CaMg(CO3)2 + Dolomite 0.00 -17.28 -17.28 CaMg(CO3)2 Epsomite -3.17 -4.84 -1.68 MgSO4:7H2O Fe(OH)3(a) -6.26 -1.36 4.89 Fe(OH)3 - FeS(ppt) -0.00 -3.92 -3.92 FeS + FeS(ppt) 0.00 -3.91 -3.92 FeS Fluorite -0.85 -11.35 -10.49 CaF2 Gibbsite -0.84 6.73 7.57 Al(OH)3 Goethite -0.00 -1.34 -1.34 FeOOH @@ -2403,7 +2398,7 @@ Sr 2.388e-05 K-mica 1.13 12.42 11.29 KAl3Si3O10(OH)2 Kaolinite -0.00 6.60 6.60 Al2Si2O5(OH)4 Kieserite -3.58 -4.72 -1.14 MgSO4:H2O - Mackinawite 0.73 -3.92 -4.65 FeS + Mackinawite 0.73 -3.91 -4.65 FeS Manganite -20.22 5.12 25.34 MnOOH Melanterite -4.98 -7.08 -2.10 FeSO4:7H2O Mirabilite -3.48 -4.32 -0.84 Na2SO4:10H2O @@ -2467,9 +2462,9 @@ Total pressure: 1.00 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -5.50 3.188e-06 0.998 1.290e-07 1.290e-07 -7.120e-20 -CO2(g) -0.61 2.436e-01 0.996 9.863e-03 9.863e-03 -5.239e-15 -N2(g) -0.12 7.564e-01 1.000 3.062e-02 3.062e-02 -1.618e-14 +CH4(g) -5.50 3.188e-06 0.998 1.290e-07 1.290e-07 6.194e-21 +CO2(g) -0.61 2.436e-01 0.996 9.863e-03 9.863e-03 1.771e-15 +N2(g) -0.12 7.564e-01 1.000 3.062e-02 3.062e-02 -1.898e-15 O2(g) -65.32 4.840e-66 0.999 1.959e-67 0.000e+00 0.000e+00 -------------------------------Phase assemblage-------------------------------- @@ -2479,15 +2474,15 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.16 -4.55 -4.39 0.000e+00 0 0.000e+00 Aragonite -0.16 -8.56 -8.41 0.000e+00 0 0.000e+00 -Calcite 0.00 -8.56 -8.56 3.692e+00 3.692e+00 -3.109e-15 +Calcite -0.00 -8.56 -8.56 3.692e+00 3.692e+00 1.332e-15 Chalcedony 0.00 -3.44 -3.44 9.987e-02 9.987e-02 0.000e+00 -Dolomite 0.00 -17.28 -17.28 6.241e-01 6.241e-01 1.110e-16 -FeS(ppt) 0.00 -3.91 -3.92 9.346e-01 9.346e-01 -2.998e-15 +Dolomite 0.00 -17.28 -17.28 6.241e-01 6.241e-01 0.000e+00 +FeS(ppt) 0.00 -3.91 -3.92 9.346e-01 9.346e-01 1.221e-15 Gibbsite -0.84 6.73 7.57 0.000e+00 0 0.000e+00 -Goethite -0.00 -1.34 -1.34 5.182e-01 5.182e-01 -2.121e-14 -Gypsum 0.00 -4.59 -4.59 2.082e+00 2.082e+00 3.109e-15 +Goethite 0.00 -1.34 -1.34 5.182e-01 5.182e-01 -1.110e-16 +Gypsum 0.00 -4.59 -4.59 2.082e+00 2.082e+00 -1.332e-15 Kaolinite 0.00 6.60 6.60 6.000e+00 6.000e+00 0.000e+00 -Siderite 0.00 -10.95 -10.95 1.542e+00 1.542e+00 2.420e-14 +Siderite 0.00 -10.95 -10.95 1.542e+00 1.542e+00 -1.332e-15 Sulfur -2.25 2.40 4.66 0.000e+00 0 0.000e+00 ------------------------------Surface composition------------------------------ @@ -2527,7 +2522,7 @@ X 3.000e+00 mol MgX2 2.606e-01 5.213e-01 1.738e-01 -0.411 KX 9.250e-03 9.250e-03 3.083e-03 -0.250 FeX2 2.224e-03 4.447e-03 1.482e-03 -0.777 - NH4X 1.865e-03 1.865e-03 6.217e-04 -0.000 + NH4X 1.865e-03 1.865e-03 6.217e-04 0.000 SrX2 7.260e-05 1.452e-04 4.840e-05 -0.603 LiX 1.499e-05 1.499e-05 4.998e-06 -0.194 BaX2 1.134e-07 2.268e-07 7.562e-08 -0.713 @@ -2564,10 +2559,10 @@ X 3.000e+00 mol pH = 5.623 Charge balance pe = -1.963 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 35°C) = 134414 + Specific Conductance (µS/cm, 35°C) = 134357 Density (g/cm³) = 1.05811 Volume (L) = 1.02160 - Viscosity (mPa s) = 0.90531 + Viscosity (mPa s) = 0.90578 Activity of water = 0.954 Ionic strength (mol/kgw) = 2.083e+00 Mass of water (kg) = 9.923e-01 @@ -2771,7 +2766,6 @@ Na 6.084e-01 NaHCO3 2.758e-04 7.199e-04 -3.559 -3.143 0.417 31.62 NaF 1.238e-06 2.000e-06 -5.907 -5.699 0.208 7.59 NaHPO4- 2.207e-09 1.362e-09 -8.656 -8.866 -0.210 201.59 - NaOH 2.582e-19 4.171e-19 -18.588 -18.380 0.208 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -68.481 -68.273 0.208 31.10 P 6.599e-07 @@ -2845,7 +2839,7 @@ Sr 2.388e-05 Arcanite -8.00 -9.76 -1.76 K2SO4 Barite -1.90 -11.66 -9.75 BaSO4 Ca-Montmorillonite -2.05 -45.69 -43.64 Ca0.165Al2.33Si3.67O10(OH)2 - Calcite 0.00 -8.56 -8.56 CaCO3 + Calcite -0.00 -8.56 -8.56 CaCO3 Celestite -2.03 -8.75 -6.71 SrSO4 CH4(g) -5.50 -8.38 -2.88 CH4 Pressure 0.0 atm, phi 0.998 Chalcedony 0.00 -3.44 -3.44 SiO2 @@ -2858,7 +2852,7 @@ Sr 2.388e-05 FeS(ppt) 0.00 -3.91 -3.92 FeS Fluorite -0.85 -11.35 -10.49 CaF2 Gibbsite -0.84 6.73 7.57 Al(OH)3 - Goethite -0.00 -1.34 -1.34 FeOOH + Goethite 0.00 -1.34 -1.34 FeOOH Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -7.39 -10.51 -3.12 H2 H2O(g) -1.28 -0.02 1.26 H2O diff --git a/mytest/saver_101.sel b/mytest/saver_101.sel index 6df3504aa..84baacf6a 100644 --- a/mytest/saver_101.sel +++ b/mytest/saver_101.sel @@ -1,8 +1,8 @@ Mu SC - 0.671228159633 52901.5044210402 - 0.671228159633 52901.5044210402 - 1.396394877341 85151.3661713764 - 2.083235515104 134414.6184477623 - 1.396394877341 85151.3661713758 - 2.083235515104 134414.6184477487 - 2.083235515104 134414.6184477617 + 0.671228159633 52901.4474035112 + 0.671228159633 52901.4474035112 + 1.396394877341 85125.3439917529 + 2.083235515104 134357.8774263212 + 1.396394877341 85125.3439917519 + 2.083235515104 134357.8774263212 + 2.083235515104 134357.8774263212 diff --git a/mytest/sc1.out b/mytest/sc1.out index e6f1df0f9..9504f6762 100644 --- a/mytest/sc1.out +++ b/mytest/sc1.out @@ -99,7 +99,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -376,13 +375,12 @@ Su_b Cl 4.849e-04 Cl- 4.849e-04 4.728e-04 -3.314 -3.325 -0.011 18.07 HCl 1.646e-12 1.647e-12 -11.784 -11.783 0.000 (0) -H(0) 8.408e-16 - H2 4.204e-16 4.205e-16 -15.376 -15.376 0.000 28.61 +H(0) 8.409e-16 + H2 4.205e-16 4.205e-16 -15.376 -15.376 0.000 28.61 Na 4.859e-04 Na+ 4.859e-04 4.739e-04 -3.313 -3.324 -0.011 -1.49 - NaOH 4.744e-20 4.744e-20 -19.324 -19.324 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.628 -61.627 0.000 30.40 + O2 0.000e+00 0.000e+00 -61.628 -61.628 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -477,7 +475,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -776,7 +773,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -921,10 +917,9 @@ Cl 5.000e-04 Cl- 5.000e-04 4.874e-04 -3.301 -3.312 -0.011 18.07 HCl 1.683e-11 1.684e-11 -10.774 -10.774 0.000 (0) H(0) 1.849e-15 - H2 9.246e-16 9.247e-16 -15.034 -15.034 0.000 28.61 + H2 9.245e-16 9.246e-16 -15.034 -15.034 0.000 28.61 Na 5.000e-04 Na+ 5.000e-04 4.875e-04 -3.301 -3.312 -0.011 -1.49 - NaOH 4.918e-21 4.919e-21 -20.308 -20.308 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.312 -62.312 0.000 30.40 @@ -1035,7 +1030,6 @@ H(0) 1.935e-14 H2 9.676e-15 9.676e-15 -14.014 -14.014 0.000 28.61 Na 1.187e-20 Na+ 1.187e-20 1.187e-20 -19.925 -19.926 -0.000 -1.52 - NaOH 1.201e-37 1.201e-37 -36.920 -36.920 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.351 -64.351 0.000 30.40 @@ -1149,7 +1143,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1181,14 +1174,25 @@ Diffuse Double Layer Surface-Complexation Model Hfo 1.079e-28 Surface + diffuse layer charge, eq 1.079e-28 Surface charge, eq - undefined sigma, C/m² + 1.735e+34 sigma, C/m² 6.564e-02 psi, V -2.555e+00 -F*psi/RT 7.769e-02 exp(-F*psi/RT) 6.000e+02 specific area, m²/g - 0.000e+00 m² for 0.000e+00 g + 6.000e-58 m² for 1.000e-60 g - Water in diffuse layer: 0.000e+00 kg, 0.0% of total DDL-water. + Water in diffuse layer: 6.000e-62 kg, 0.0% of total DDL-water. + viscosity: 0.89022 mPa s for DDL water. + + Total moles in diffuse layer (excluding water), Donnan calculation. + Donnan Layer potential, psi_DL = 9.235e-03 V. + Boltzmann factor, exp(-psi_DL * F / RT) = 6.981e-01 (= c_DL / c_free if z is +1). + + Element Moles + Cl 6.4464e-65 + H 1.3284e-68 + Na 3.1413e-65 + O 8.9616e-69 Hfo_s 1.000e-25 moles @@ -1209,11 +1213,11 @@ Hfo_w Hfo_wO- 1.159e-26 0.000 1.159e-26 -25.936 Su - 1.605e-11 Surface + diffuse layer charge, eq + -1.847e-12 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -1.120e-09 psi, V - 4.358e-08 -F*psi/RT + -5.375e-10 psi, V + 2.092e-08 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.000e+04 m² for 1.000e+00 g @@ -1222,7 +1226,7 @@ Su viscosity: 0.89022 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = -0.000e+00 V. + Donnan Layer potential, psi_DL = -9.128e-11 V. Boltzmann factor, exp(-psi_DL * F / RT) = 1.000e+00 (= c_DL / c_free if z is +1). Element Moles @@ -1255,7 +1259,7 @@ Su_b ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance - pe = 11.011 Adjusted to redox equilibrium + pe = -1.360 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 92 Density (g/cm³) = 0.99707 Volume (L) = 1.00298 @@ -1265,9 +1269,9 @@ Su_b Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.063e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.946e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 0 (1 overall) + Electrical balance (eq) = -1.847e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 @@ -1282,22 +1286,21 @@ Su_b Cl 7.500e-04 Cl- 7.500e-04 7.270e-04 -3.125 -3.138 -0.014 18.07 HCl 2.506e-11 2.508e-11 -10.601 -10.601 0.000 (0) -H(0) 1.352e-39 - H2 6.761e-40 6.762e-40 -39.170 -39.170 0.000 28.61 +H(0) 7.452e-15 + H2 3.726e-15 3.726e-15 -14.429 -14.429 0.000 28.61 Na 7.500e-04 Na+ 7.500e-04 7.272e-04 -3.125 -3.138 -0.013 -1.48 - NaOH 7.348e-21 7.349e-21 -20.134 -20.134 0.000 (0) -O(0) 1.823e-14 - O2 9.116e-15 9.117e-15 -14.040 -14.040 0.000 30.40 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.523 -63.523 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.07 -39.17 -3.10 H2 + H2(g) -11.33 -14.43 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.85 -6.28 1.57 NaCl - O2(g) -11.15 -14.04 -2.89 O2 + O2(g) -60.63 -63.52 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1394,10 +1397,9 @@ Cl 5.000e-04 Cl- 5.000e-04 4.874e-04 -3.301 -3.312 -0.011 18.07 HCl 1.683e-11 1.684e-11 -10.774 -10.774 0.000 (0) H(0) 1.849e-15 - H2 9.246e-16 9.247e-16 -15.034 -15.034 0.000 28.61 + H2 9.245e-16 9.246e-16 -15.034 -15.034 0.000 28.61 Na 5.000e-04 Na+ 5.000e-04 4.875e-04 -3.301 -3.312 -0.011 -1.49 - NaOH 4.918e-21 4.919e-21 -20.308 -20.308 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.312 -62.312 0.000 30.40 @@ -1421,7 +1423,7 @@ Using surface 3. Surface defined in simulation 2. Diffuse Double Layer Surface-Complexation Model Hfo - -1.197e-19 Surface + diffuse layer charge, eq + -5.534e-19 Surface + diffuse layer charge, eq 3.829e-07 Surface charge, eq 6.158e-05 sigma, C/m² 6.564e-02 psi, V @@ -1502,7 +1504,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.520 -40.520 0.000 28.61 Na 1.170e-23 Na+ 1.170e-23 1.169e-23 -22.932 -22.932 -0.000 -1.52 - NaOH 1.183e-40 1.183e-40 -39.927 -39.927 0.000 (0) O(0) 9.145e-12 O2 4.572e-12 4.572e-12 -11.340 -11.340 0.000 30.40 diff --git a/mytest/sc1_101.sel b/mytest/sc1_101.sel index 19541b4ec..5b0280fdd 100644 --- a/mytest/sc1_101.sel +++ b/mytest/sc1_101.sel @@ -1,17 +1,17 @@ Mu SC - 0.001000103455 122.9170042641 + 0.001000103455 122.9170042359 0.000000100661 0.0546997340 0.000000100645 0.0546914008 - 0.000485946492 60.2158796805 - 0.001000103455 122.9170042634 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.001000103455 122.9170042645 - 0.000500102802 61.8694130265 + 0.000485946492 60.2158796047 + 0.001000103455 122.9170042352 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.000000100645 0.0546913856 + 0.001000103455 122.9170042363 + 0.000500102802 61.8694130177 0.000000100645 0.0546913744 - 0.000000100645 0.0546913855 - 0.001000103455 122.9170042645 - 0.000750103175 92.4626760386 - 0.000500102802 61.8694130265 - 0.000000100645 0.0546913855 + 0.000000100645 0.0546913856 + 0.001000103455 122.9170042363 + 0.000750103175 92.4626761359 + 0.000500102802 61.8694130177 + 0.000000100645 0.0546913856 diff --git a/mytest/sc2.out b/mytest/sc2.out index e8c7f3fff..7faa0ea88 100644 --- a/mytest/sc2.out +++ b/mytest/sc2.out @@ -223,7 +223,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -379,7 +378,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/sc2_101.sel b/mytest/sc2_101.sel index 1c7c3e98e..4558d8061 100644 --- a/mytest/sc2_101.sel +++ b/mytest/sc2_101.sel @@ -1,31 +1,31 @@ Mu SC - 0.000000100661 0.0546997344 - 0.000000100661 0.0546997344 - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 - 0.000000100645 0.0546914012 - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 + 0.000000100661 0.0546997345 + 0.000000100661 0.0546997345 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 + 0.000000100645 0.0546914013 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 0.000000100645 0.0546913860 0.000000100645 0.0546913860 0.000000100645 0.0546913860 0.000000100645 0.0546913860 0.000000100645 0.0546913860 - 0.001000103455 0.0560840915 + 0.001000103455 0.0560840916 0.000948987756 0.0560411869 - 0.000125467757 0.0552478161 + 0.000125467757 0.0552478162 0.000006263368 0.0547928816 0.000000243860 0.0547011565 0.000000100645 0.0546913860 - 0.001000103455 0.0560840915 + 0.001000103455 0.0560840916 0.000994856749 0.0560810036 0.000882169369 0.0559936535 0.000188316832 0.0553583587 - 0.000020058865 0.0548835908 + 0.000020058865 0.0548835909 0.000000100645 0.0546913860 - 0.001000103455 0.0560840915 - 0.000999424760 0.0560829921 - 0.000983033073 0.0560661543 - 0.000830220622 0.0559293679 + 0.001000103455 0.0560840916 + 0.000999424760 0.0560829922 + 0.000983033073 0.0560661544 + 0.000830220622 0.0559293680 0.000246420510 0.0554788440 0.000000100645 0.0546913860 diff --git a/mytest/sc3.out b/mytest/sc3.out index a645a71a1..9b06f4287 100644 --- a/mytest/sc3.out +++ b/mytest/sc3.out @@ -168,7 +168,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/sc3_101.sel b/mytest/sc3_101.sel index 1d483ec24..ac30bbafe 100644 --- a/mytest/sc3_101.sel +++ b/mytest/sc3_101.sel @@ -1,8 +1,8 @@ Mu SC - 0.000000100661 0.0546997344 - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 + 0.000000100661 0.0546997345 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 0.000000100645 0.0546913860 0.000000100645 0.0546913860 0.000000100645 0.0546913860 @@ -12,33 +12,33 @@ 0.000000100645 0.0546913860 0.000000100645 0.0546913860 0.000000100645 0.0546913860 - 0.001000103455 0.0560840915 + 0.001000103455 0.0560840916 0.000568540438 0.0561788993 - 0.000055257685 0.0550601275 + 0.000055257685 0.0550601276 0.000001507002 0.0547275539 0.000000100645 0.0546913860 0.000000100645 0.0546913860 - 0.000347915067 0.0550890814 - 0.000026819946 0.0549086119 - 0.000000569446 0.0547174573 + 0.000347915067 0.0550890815 + 0.000026819946 0.0549086120 + 0.000000569446 0.0547174574 0.000000100645 0.0546913860 - 0.001000103455 0.0560840915 + 0.001000103455 0.0560840916 0.000727391060 0.0578637867 0.000363576801 0.0559647330 0.000060944525 0.0553301114 - 0.000004746198 0.0547678445 + 0.000004746198 0.0547678446 0.000000100645 0.0546913860 - 0.000579509263 0.0544707645 - 0.000228678351 0.0547955604 + 0.000579509263 0.0544707646 + 0.000228678351 0.0547955605 0.000033638800 0.0547864770 0.000002331523 0.0547647081 - 0.001000103455 0.0560840915 - 0.000823163325 0.0674535652 - 0.000536387823 0.0624790243 - 0.000245146345 0.0609541874 + 0.001000103455 0.0560840916 + 0.000823163325 0.0674535653 + 0.000536387823 0.0624790244 + 0.000245146345 0.0609541875 0.000056887920 0.0565855682 0.000000100645 0.0546913860 0.000728560925 0.0544536485 0.000413611718 0.0535267584 0.000159642180 0.0533227349 - 0.000032808197 0.0538500727 + 0.000032808197 0.0538500728 diff --git a/mytest/sc4.out b/mytest/sc4.out index 4ede0b226..59c6cdcb0 100644 --- a/mytest/sc4.out +++ b/mytest/sc4.out @@ -222,7 +222,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/sc4_101.sel b/mytest/sc4_101.sel index 3ac28158e..48bee0210 100644 --- a/mytest/sc4_101.sel +++ b/mytest/sc4_101.sel @@ -1,10 +1,10 @@ Mu SC - 0.000000100661 0.0546997344 - 0.000000100661 0.0546997344 - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 + 0.000000100661 0.0546997345 + 0.000000100661 0.0546997345 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 0.000000100645 0.0546913860 - 0.001000103455 0.0560840915 + 0.001000103455 0.0560840916 0.000000100645 0.0546913860 0.000000100645 0.0546913860 0.000000100645 0.0546913860 @@ -14,33 +14,33 @@ 0.000000100645 0.0546913860 0.000000100645 0.0546913860 0.000000100645 0.0546913860 - 0.001000103455 0.0560840915 + 0.001000103455 0.0560840916 0.000729690814 0.0558388486 - 0.000087239830 0.0551537724 + 0.000087239830 0.0551537725 0.000004144200 0.0547672626 0.000000188880 0.0546971974 0.000000100645 0.0546913860 0.000245161592 0.0554618356 - 0.000024612607 0.0549208355 - 0.000000991934 0.0547261076 + 0.000024612607 0.0549208356 + 0.000000991934 0.0547261077 0.000000115596 0.0546925680 - 0.001000103455 0.0560840915 - 0.000826882741 0.0559558591 + 0.001000103455 0.0560840916 + 0.000826882741 0.0559558592 0.000487904412 0.0556207145 - 0.000091498599 0.0551630912 + 0.000091498599 0.0551630913 0.000008393080 0.0548010068 0.000000100645 0.0546913860 0.000492462663 0.0557328847 - 0.000184403610 0.0553285489 - 0.000028878443 0.0549385586 - 0.000002425617 0.0547568998 - 0.001000103455 0.0560840915 - 0.000883908435 0.0560051580 + 0.000184403610 0.0553285490 + 0.000028878443 0.0549385587 + 0.000002425617 0.0547568999 + 0.001000103455 0.0560840916 + 0.000883908435 0.0560051581 0.000634907700 0.0557867061 0.000337266928 0.0554584816 - 0.000076240837 0.0551164958 + 0.000076240837 0.0551164959 0.000000100645 0.0546913860 0.000660194365 0.0558779792 - 0.000367009149 0.0555816124 - 0.000137072331 0.0552512692 - 0.000026526669 0.0549300604 + 0.000367009149 0.0555816125 + 0.000137072331 0.0552512693 + 0.000026526669 0.0549300605 diff --git a/mytest/sc5.out b/mytest/sc5.out index c8740d9ce..4fa2bd1ad 100644 --- a/mytest/sc5.out +++ b/mytest/sc5.out @@ -329,7 +329,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -481,7 +480,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 diff --git a/mytest/sc5_101.sel b/mytest/sc5_101.sel index 3a1166f6f..aac7cde13 100644 --- a/mytest/sc5_101.sel +++ b/mytest/sc5_101.sel @@ -1,33 +1,33 @@ Mu SC - 0.000000100661 0.0546997344 - 0.000000100644 0.0547821296 - 0.000000100644 0.0547821296 - 0.000000100644 0.0547821296 - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 - 0.001000103455 0.0560840915 - 0.000000100644 0.0547821296 - 0.001000103455 0.0560840915 - 0.000000100644 0.0547821296 - 0.000000100644 0.0547821296 - 0.000000100644 0.0547821296 - 0.000000100644 0.0547821296 - 0.000000100644 0.0547821296 + 0.000000100661 0.0546997345 + 0.000000100644 0.0547821297 + 0.000000100644 0.0547821297 + 0.000000100644 0.0547821297 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 + 0.001000103455 0.0560840916 + 0.000000100644 0.0547821297 + 0.001000103455 0.0560840916 + 0.000000100644 0.0547821297 + 0.000000100644 0.0547821297 + 0.000000100644 0.0547821297 + 0.000000100644 0.0547821297 + 0.000000100644 0.0547821297 0.000916974240 0.0560059035 - 0.000053778278 0.0551102940 - 0.000056815108 0.0551197339 - 0.000002291675 0.0548510072 - 0.000000100644 0.0547821296 - 0.000000100644 0.0547821296 - 0.000845308701 0.0558958156 + 0.000053778278 0.0551102941 + 0.000056815108 0.0551197340 + 0.000002291675 0.0548510073 + 0.000000100644 0.0547821297 + 0.000000100644 0.0547821297 + 0.000845308701 0.0558958157 0.000099082368 0.0552776307 - 0.000098782400 0.0552173513 + 0.000098782400 0.0552173514 0.000006242391 0.0548921823 - 0.000003503644 0.0548717792 - 0.000006906550 0.0549250159 - 0.000783266614 0.0558537925 + 0.000003503644 0.0548717793 + 0.000006906550 0.0549250160 + 0.000783266614 0.0558537926 0.000137280754 0.0553327642 - 0.000129892502 0.0552719254 + 0.000129892502 0.0552719255 0.000011590958 0.0549560194 0.000009220450 0.0549324634 - 0.000017931739 0.0550347250 + 0.000017931739 0.0550347251 diff --git a/mytest/sc6.out b/mytest/sc6.out index 84711e512..a600acc1c 100644 --- a/mytest/sc6.out +++ b/mytest/sc6.out @@ -209,7 +209,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -504,7 +503,6 @@ H(0) 1.323e-25 H2 6.615e-26 6.616e-26 -25.179 -25.179 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.021 -42.021 0.000 30.40 @@ -943,11 +941,11 @@ Hfo_w Hfo_wOCa+ 7.373e-20 0.000 7.373e-20 -19.132 Sua - -1.676e-30 Surface + diffuse layer charge, eq + -7.396e-31 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 3.187e-23 psi, V - -1.241e-21 -F*psi/RT + 1.487e-23 psi, V + -5.788e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 3.000e+00 m² for 3.000e-04 g @@ -974,11 +972,11 @@ Sua Sua 3.000e-07 1.000 3.000e-07 -6.523 Sub - -1.493e-33 Surface + diffuse layer charge, eq + -1.156e-33 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 3.556e-23 psi, V - -1.384e-21 -F*psi/RT + 2.510e-23 psi, V + -9.770e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 3.000e-03 m² for 3.000e-07 g @@ -2201,11 +2199,11 @@ Hfo_w Hfo_wOCa+ 4.790e-25 0.000 4.790e-25 -24.320 Sua - 1.085e-30 Surface + diffuse layer charge, eq + 7.889e-31 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.648e-23 psi, V - 1.031e-21 -F*psi/RT + -2.023e-23 psi, V + 7.873e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 5.998e+00 m² for 5.998e-04 g @@ -2232,11 +2230,11 @@ Sua Sua 5.998e-07 1.000 5.998e-07 -6.222 Sub - 9.630e-34 Surface + diffuse layer charge, eq + 8.667e-34 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.187e-23 psi, V - 8.515e-22 -F*psi/RT + -1.608e-23 psi, V + 6.259e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 6.000e-03 m² for 6.000e-07 g diff --git a/mytest/sc6_101.sel b/mytest/sc6_101.sel index a71ed8287..a26b20ea2 100644 --- a/mytest/sc6_101.sel +++ b/mytest/sc6_101.sel @@ -1,25 +1,25 @@ Mu SC - 0.000000100661 0.0546997344 + 0.000000100661 0.0546997345 0.001002104166 0.0560854568 0.001002104164 0.0560854568 - 0.001002104164 0.0560854655 - 0.001002104164 0.0560854655 + 0.001002104164 0.0560854656 + 0.001002104164 0.0560854656 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.001002104164 0.0560854657 - 0.001001803622 0.0560886541 - 0.000000401285 0.0547061272 + 0.001001803622 0.0560886542 + 0.000000401285 0.0547061273 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.001002104164 0.0560854657 0.001002104076 0.0560854745 0.001001503357 0.0560918370 - 0.000000701734 0.0547157509 + 0.000000701734 0.0547157510 0.000000100645 0.0546913856 0.001002104164 0.0560854657 - 0.001002104169 0.0560854814 - 0.001002103890 0.0560854491 + 0.001002104169 0.0560854815 + 0.001002103890 0.0560854492 0.001001503553 0.0560923133 - 0.000000100649 0.0546914050 + 0.000000100649 0.0546914051 diff --git a/mytest/sc6a.out b/mytest/sc6a.out index 110432e3d..4866fb51d 100644 --- a/mytest/sc6a.out +++ b/mytest/sc6a.out @@ -209,7 +209,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -504,7 +503,6 @@ H(0) 1.323e-25 H2 6.615e-26 6.616e-26 -25.179 -25.179 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.021 -42.021 0.000 30.40 @@ -1076,7 +1074,7 @@ Hfo_w Hfo_wOCa+ 1.960e-13 0.000 1.960e-13 -12.708 Sua - -6.311e-21 Surface + diffuse layer charge, eq + -6.312e-21 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² -3.770e-19 psi, V @@ -1110,8 +1108,8 @@ Sub -7.312e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -9.573e-23 psi, V - 3.726e-21 -F*psi/RT + 3.529e-23 psi, V + -1.374e-21 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 5.000e+00 m² for 5.000e-04 g @@ -1193,8 +1191,8 @@ Sua -1.838e-18 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.847e-23 psi, V - 1.108e-21 -F*psi/RT + -2.329e-23 psi, V + 9.064e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+00 m² for 1.500e-04 g @@ -1224,8 +1222,8 @@ Sub -1.838e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.003e-23 psi, V - 7.795e-22 -F*psi/RT + -1.858e-23 psi, V + 7.233e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e-06 m² for 1.500e-10 g @@ -1580,7 +1578,7 @@ Hfo_w Hfo_wOCa+ 3.438e-11 0.000 3.438e-11 -10.464 Sorbedhfo - -3.077e-22 Surface + diffuse layer charge, eq + -3.076e-22 Surface + diffuse layer charge, eq 3.461e-13 Surface charge, eq 4.219e-03 sigma, C/m² 8.006e-02 psi, V @@ -1781,7 +1779,7 @@ Adapting surface in 5 Diffuse Double Layer Surface-Complexation Model Hfo - 9.515e-21 Surface + diffuse layer charge, eq + 8.893e-21 Surface + diffuse layer charge, eq 2.077e-09 Surface charge, eq 5.062e-03 sigma, C/m² 6.346e-02 psi, V @@ -1825,7 +1823,7 @@ Hfo_w Hfo_wOCa+ 5.402e-13 0.000 5.402e-13 -12.267 Sorbedhfo - 2.958e-21 Surface + diffuse layer charge, eq + 2.941e-21 Surface + diffuse layer charge, eq 6.924e-10 Surface charge, eq 5.062e-03 sigma, C/m² 6.346e-02 psi, V @@ -1869,11 +1867,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 1.801e-13 0.000 1.801e-13 -12.744 Sua - 9.596e-24 Surface + diffuse layer charge, eq + 1.062e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.135e-21 psi, V - 1.220e-19 -F*psi/RT + -2.876e-21 psi, V + 1.119e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.998e+03 m² for 4.998e-01 g @@ -1900,11 +1898,11 @@ Sua Sua 4.998e-04 1.000 4.998e-04 -3.301 Sub - 9.633e-24 Surface + diffuse layer charge, eq + 1.149e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.271e-21 psi, V - 1.273e-19 -F*psi/RT + -3.289e-21 psi, V + 1.280e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 5.003e+03 m² for 5.003e-01 g @@ -2144,8 +2142,8 @@ Sua -1.838e-26 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -1.859e-23 psi, V - 7.237e-22 -F*psi/RT + -1.872e-23 psi, V + 7.288e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e-08 m² for 1.500e-12 g @@ -2543,7 +2541,7 @@ Sua 6.073e-19 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -7.654e-13 psi, V + -7.653e-13 psi, V 2.979e-11 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g @@ -2574,7 +2572,7 @@ Sub 1.216e-18 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -7.654e-13 psi, V + -7.653e-13 psi, V 2.979e-11 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g @@ -2654,7 +2652,7 @@ Hfo_w Hfo_wOCa+ 1.139e-10 0.000 1.139e-10 -9.944 Sorbedhfo - 5.709e-21 Surface + diffuse layer charge, eq + 5.710e-21 Surface + diffuse layer charge, eq 1.132e-13 Surface charge, eq 1.380e-03 sigma, C/m² 4.702e-02 psi, V @@ -2768,7 +2766,7 @@ Adapting surface in 4 Diffuse Double Layer Surface-Complexation Model Hfo - 2.276e-22 Surface + diffuse layer charge, eq + 2.277e-22 Surface + diffuse layer charge, eq 5.051e-15 Surface charge, eq 6.160e-05 sigma, C/m² 6.566e-02 psi, V @@ -2811,11 +2809,11 @@ Hfo_w Hfo_wOCa+ 6.481e-29 0.000 6.481e-29 -28.188 Sua - 3.011e-47 Surface + diffuse layer charge, eq + 3.558e-47 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.882e-23 psi, V - 1.122e-21 -F*psi/RT + -2.812e-23 psi, V + 1.095e-21 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e-16 m² for 1.500e-20 g @@ -2849,7 +2847,7 @@ Adapting surface in 5 Diffuse Double Layer Surface-Complexation Model Hfo - 4.800e-20 Surface + diffuse layer charge, eq + 4.857e-20 Surface + diffuse layer charge, eq 3.036e-09 Surface charge, eq 6.343e-03 sigma, C/m² 7.003e-02 psi, V @@ -2893,7 +2891,7 @@ Hfo_w Hfo_wOCa+ 4.396e-13 0.000 4.396e-13 -12.357 Sorbedhfo - 3.333e-20 Surface + diffuse layer charge, eq + 3.321e-20 Surface + diffuse layer charge, eq 2.169e-09 Surface charge, eq 6.343e-03 sigma, C/m² 7.003e-02 psi, V @@ -2937,11 +2935,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 3.141e-13 0.000 3.141e-13 -12.503 Sua - 2.601e-23 Surface + diffuse layer charge, eq + 2.524e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -7.861e-21 psi, V - 3.060e-19 -F*psi/RT + -7.559e-21 psi, V + 2.942e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.998e+03 m² for 4.998e-01 g @@ -2968,11 +2966,11 @@ Sua Sua 4.998e-04 1.000 4.998e-04 -3.301 Sub - 4.902e-23 Surface + diffuse layer charge, eq + 5.244e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -7.513e-21 psi, V - 2.924e-19 -F*psi/RT + -7.708e-21 psi, V + 3.000e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.000e+04 m² for 1.000e+00 g @@ -3007,7 +3005,7 @@ Adapting surface in 6 Diffuse Double Layer Surface-Complexation Model Hfo - 1.759e-21 Surface + diffuse layer charge, eq + 1.825e-21 Surface + diffuse layer charge, eq -2.237e-11 Surface charge, eq -1.091e-04 sigma, C/m² -2.133e-03 psi, V @@ -3051,7 +3049,7 @@ Hfo_w Hfo_wOCa+ 3.098e-11 0.000 3.098e-11 -10.509 Sorbedhfo - 5.195e-22 Surface + diffuse layer charge, eq + 5.972e-22 Surface + diffuse layer charge, eq -7.459e-12 Surface charge, eq -1.091e-04 sigma, C/m² -2.133e-03 psi, V @@ -3095,11 +3093,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 1.033e-11 0.000 1.033e-11 -10.986 Sua - 2.572e-25 Surface + diffuse layer charge, eq + 2.580e-25 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.237e-19 psi, V - 1.260e-17 -F*psi/RT + -3.245e-19 psi, V + 1.263e-17 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+00 m² for 1.500e-04 g @@ -3126,11 +3124,11 @@ Sua Sua 1.500e-07 1.000 1.500e-07 -6.824 Sub - 5.141e-25 Surface + diffuse layer charge, eq + 5.159e-25 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.235e-19 psi, V - 1.259e-17 -F*psi/RT + -3.246e-19 psi, V + 1.263e-17 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 3.000e+00 m² for 3.000e-04 g @@ -3284,10 +3282,10 @@ Sua Sua 1.500e-15 1.000 1.500e-15 -14.824 Sub - 4.262e-32 Surface + diffuse layer charge, eq + 4.263e-32 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -1.953e-17 psi, V + -1.952e-17 psi, V 7.600e-16 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g @@ -3437,7 +3435,7 @@ Adapting surface in 1 Diffuse Double Layer Surface-Complexation Model Hfo - -8.833e-13 Surface + diffuse layer charge, eq + -7.644e-13 Surface + diffuse layer charge, eq 3.381e-06 Surface charge, eq 6.182e-03 sigma, C/m² 6.734e-02 psi, V @@ -3481,7 +3479,7 @@ Hfo_w Hfo_wOCa+ 6.692e-10 0.000 6.692e-10 -9.174 Sorbedhfo - -1.325e-12 Surface + diffuse layer charge, eq + -1.147e-12 Surface + diffuse layer charge, eq 5.072e-06 Surface charge, eq 6.182e-03 sigma, C/m² 6.734e-02 psi, V @@ -3525,11 +3523,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 1.004e-09 0.000 1.004e-09 -8.998 Sua - 8.142e-17 Surface + diffuse layer charge, eq + 6.964e-17 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.247e-14 psi, V - 8.745e-13 -F*psi/RT + -1.921e-14 psi, V + 7.479e-13 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.999e+03 m² for 4.999e-01 g @@ -3546,7 +3544,7 @@ Sua Cl 4.6903e-09 H 1.0524e-12 Na 4.6809e-09 - O 4.8874e-13 + O 4.8873e-13 Sua 4.999e-04 moles @@ -3556,11 +3554,11 @@ Sua Sua 4.999e-04 1.000 4.999e-04 -3.301 Sub - 8.957e-16 Surface + diffuse layer charge, eq + 7.661e-16 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.247e-14 psi, V - 8.745e-13 -F*psi/RT + -1.921e-14 psi, V + 7.479e-13 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 5.499e+04 m² for 5.499e+00 g @@ -3595,7 +3593,7 @@ Adapting surface in 2 Diffuse Double Layer Surface-Complexation Model Hfo - -1.345e-13 Surface + diffuse layer charge, eq + -1.346e-13 Surface + diffuse layer charge, eq 2.436e-07 Surface charge, eq 8.911e-04 sigma, C/m² 1.466e-02 psi, V @@ -3639,7 +3637,7 @@ Hfo_w Hfo_wOCa+ 9.566e-09 0.000 9.566e-09 -8.019 Sorbedhfo - -1.345e-13 Surface + diffuse layer charge, eq + -1.346e-13 Surface + diffuse layer charge, eq 2.436e-07 Surface charge, eq 8.911e-04 sigma, C/m² 1.466e-02 psi, V @@ -3683,11 +3681,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 9.566e-09 0.000 9.566e-09 -8.019 Sua - 7.032e-19 Surface + diffuse layer charge, eq + 7.036e-19 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -7.544e-13 psi, V - 2.937e-11 -F*psi/RT + -7.549e-13 psi, V + 2.938e-11 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+00 m² for 1.500e-04 g @@ -3714,11 +3712,11 @@ Sua Sua 1.500e-07 1.000 1.500e-07 -6.824 Sub - 2.111e-18 Surface + diffuse layer charge, eq + 2.112e-18 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -7.544e-13 psi, V - 2.937e-11 -F*psi/RT + -7.549e-13 psi, V + 2.938e-11 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.503e+00 m² for 4.503e-04 g @@ -3814,7 +3812,7 @@ Sorbedhfo Boltzmann factor, exp(-psi_DL * F / RT) = 1.971e-06 (= c_DL / c_free if z is +1). Element Moles - Ca 8.5786e-27 + Ca 8.5782e-27 Cl 1.0415e-06 H 1.9684e-11 Na 4.0421e-18 @@ -3911,7 +3909,7 @@ Adapting surface in 4 Diffuse Double Layer Surface-Complexation Model Hfo - 7.576e-16 Surface + diffuse layer charge, eq + 7.577e-16 Surface + diffuse layer charge, eq 1.637e-08 Surface charge, eq 2.396e-04 sigma, C/m² 9.907e-02 psi, V @@ -3994,7 +3992,7 @@ Adapting surface in 5 Diffuse Double Layer Surface-Complexation Model Hfo - 9.428e-21 Surface + diffuse layer charge, eq + 8.833e-21 Surface + diffuse layer charge, eq 2.261e-09 Surface charge, eq 4.408e-03 sigma, C/m² 5.305e-02 psi, V @@ -4038,7 +4036,7 @@ Hfo_w Hfo_wOCa+ 1.902e-12 0.000 1.902e-12 -11.721 Sorbedhfo - 9.013e-21 Surface + diffuse layer charge, eq + 9.092e-21 Surface + diffuse layer charge, eq 2.562e-09 Surface charge, eq 4.408e-03 sigma, C/m² 5.305e-02 psi, V @@ -4082,11 +4080,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 2.156e-12 0.000 2.156e-12 -11.666 Sua - 1.622e-23 Surface + diffuse layer charge, eq + 1.591e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.791e-21 psi, V - 1.475e-19 -F*psi/RT + -3.187e-21 psi, V + 1.241e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.998e+03 m² for 4.998e-01 g @@ -4101,7 +4099,7 @@ Sua Element Moles Ca 4.6779e-12 Cl 4.6906e-09 - H 1.1757e-12 + H 1.1758e-12 Na 4.6817e-09 O 8.5171e-13 @@ -4113,11 +4111,11 @@ Sua Sua 4.998e-04 1.000 4.998e-04 -3.301 Sub - 3.575e-23 Surface + diffuse layer charge, eq + 5.109e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.351e-21 psi, V - 1.305e-19 -F*psi/RT + -3.356e-21 psi, V + 1.306e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+04 m² for 1.500e+00 g @@ -4169,7 +4167,7 @@ Hfo Boltzmann factor, exp(-psi_DL * F / RT) = 2.455e-06 (= c_DL / c_free if z is +1). Element Moles - Ca 9.8860e-29 + Ca 9.8863e-29 Cl 6.4805e-09 H 3.8086e-14 Na 3.8842e-20 @@ -4213,7 +4211,7 @@ Sorbedhfo Boltzmann factor, exp(-psi_DL * F / RT) = 2.455e-06 (= c_DL / c_free if z is +1). Element Moles - Ca 7.0627e-29 + Ca 7.0628e-29 Cl 4.6298e-09 H 2.7209e-14 Na 2.7749e-20 @@ -4240,11 +4238,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 2.851e-16 0.000 2.851e-16 -15.545 Sua - -1.566e-27 Surface + diffuse layer charge, eq + -7.389e-28 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 1.182e-21 psi, V - -4.601e-20 -F*psi/RT + 3.894e-22 psi, V + -1.516e-20 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+00 m² for 1.500e-04 g @@ -4271,11 +4269,11 @@ Sua Sua 1.500e-07 1.000 1.500e-07 -6.824 Sub - -7.612e-27 Surface + diffuse layer charge, eq + -3.111e-27 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 1.726e-21 psi, V - -6.717e-20 -F*psi/RT + 9.134e-22 psi, V + -3.555e-20 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.500e+00 m² for 4.500e-04 g @@ -4354,7 +4352,7 @@ Hfo_w Hfo_wOCa+ 2.550e-11 0.000 2.550e-11 -10.593 Sorbedhfo - -4.764e-20 Surface + diffuse layer charge, eq + -4.762e-20 Surface + diffuse layer charge, eq -2.007e-11 Surface charge, eq -5.875e-04 sigma, C/m² -1.433e-02 psi, V @@ -4398,7 +4396,7 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 8.503e-12 0.000 8.503e-12 -11.070 Sua - 5.417e-32 Surface + diffuse layer charge, eq + 5.418e-32 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² -8.616e-18 psi, V @@ -4429,7 +4427,7 @@ Sua Sua 1.500e-15 1.000 1.500e-15 -14.824 Sub - 1.083e-31 Surface + diffuse layer charge, eq + 1.084e-31 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² -8.616e-18 psi, V diff --git a/mytest/sc6a_101.sel b/mytest/sc6a_101.sel index 9268f3364..84b3fc96d 100644 --- a/mytest/sc6a_101.sel +++ b/mytest/sc6a_101.sel @@ -1,9 +1,9 @@ Mu SC - 0.000000100661 0.0546997344 + 0.000000100661 0.0546997345 0.001002104166 0.0560854568 0.001002104164 0.0560854568 - 0.001002104164 0.0560854655 - 0.001002104164 0.0560854655 + 0.001002104164 0.0560854656 + 0.001002104164 0.0560854656 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.000000100645 0.0546913856 @@ -12,34 +12,34 @@ 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.001002104164 0.0560854657 - 0.000501089944 0.0724217593 - 0.000000250975 0.0546988308 + 0.000501089944 0.0724217594 + 0.000000250975 0.0546988309 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.000500930909 0.0561095639 - 0.000000250961 0.0547010256 + 0.000000250961 0.0547010257 0.000000100645 0.0546913856 0.001002104164 0.0560854657 - 0.000751424995 0.0610310960 + 0.000751424995 0.0610310961 0.000250952008 0.0737220769 0.000000250954 0.0546990452 0.000000100645 0.0546913856 0.000751512301 0.0549283484 0.000250824020 0.1817461196 - 0.000000250939 0.0547215806 - 0.001002104164 0.0560854579 + 0.000000250939 0.0547215807 + 0.001002104164 0.0560854580 0.000876746748 0.0576472465 - 0.000500368754 0.1678170311 - 0.000125995188 0.0584165073 - 0.000000100645 0.0546913884 + 0.000500368754 0.1678170312 + 0.000125995188 0.0584165074 + 0.000000100645 0.0546913885 0.000876856833 0.0597941958 0.000501658528 0.2888099424 0.000126052119 0.3239181577 - 0.001002104164 0.0560854580 - 0.000939348500 0.0574394094 + 0.001002104164 0.0560854581 + 0.000939348500 0.0574394082 0.000689994166 0.1528395190 0.000312886824 0.6201442823 0.000000368320 0.1331625287 - 0.000939543441 0.0550139419 - 0.000690101492 0.9154433423 - 0.000314042545 0.4633428605 + 0.000939543441 0.0550139413 + 0.000690101492 0.9154433424 + 0.000314042545 0.4633428606 diff --git a/mytest/sc6b.out b/mytest/sc6b.out index 263703e98..ac682f529 100644 --- a/mytest/sc6b.out +++ b/mytest/sc6b.out @@ -209,7 +209,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -504,7 +503,6 @@ H(0) 1.323e-25 H2 6.615e-26 6.616e-26 -25.179 -25.179 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 1.000e-03 -3.000 -3.000 -0.000 (0) - NaOH 1.012e-20 1.012e-20 -19.995 -19.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.021 -42.021 0.000 30.40 @@ -1076,7 +1074,7 @@ Hfo_w Hfo_wOCa+ 1.960e-13 0.000 1.960e-13 -12.708 Sua - -6.311e-21 Surface + diffuse layer charge, eq + -6.312e-21 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² -3.770e-19 psi, V @@ -1110,8 +1108,8 @@ Sub -7.312e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -9.573e-23 psi, V - 3.726e-21 -F*psi/RT + 3.529e-23 psi, V + -1.374e-21 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 5.000e+00 m² for 5.000e-04 g @@ -1193,8 +1191,8 @@ Sua -1.838e-18 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.847e-23 psi, V - 1.108e-21 -F*psi/RT + -2.329e-23 psi, V + 9.064e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+00 m² for 1.500e-04 g @@ -1224,8 +1222,8 @@ Sub -1.838e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.003e-23 psi, V - 7.795e-22 -F*psi/RT + -1.858e-23 psi, V + 7.233e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e-06 m² for 1.500e-10 g @@ -1580,7 +1578,7 @@ Hfo_w Hfo_wOCa+ 3.438e-11 0.000 3.438e-11 -10.464 Sorbedhfo - -5.153e-22 Surface + diffuse layer charge, eq + -5.154e-22 Surface + diffuse layer charge, eq 3.461e-13 Surface charge, eq 4.219e-03 sigma, C/m² 8.006e-02 psi, V @@ -1812,7 +1810,7 @@ Adapting surface in 5 Diffuse Double Layer Surface-Complexation Model Hfo - 8.319e-21 Surface + diffuse layer charge, eq + 9.060e-21 Surface + diffuse layer charge, eq 2.076e-09 Surface charge, eq 5.060e-03 sigma, C/m² 6.344e-02 psi, V @@ -1856,7 +1854,7 @@ Hfo_w Hfo_wOCa+ 5.410e-13 0.000 5.410e-13 -12.267 Sorbedhfo - 3.057e-21 Surface + diffuse layer charge, eq + 2.885e-21 Surface + diffuse layer charge, eq 6.921e-10 Surface charge, eq 5.060e-03 sigma, C/m² 6.344e-02 psi, V @@ -1900,11 +1898,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 1.804e-13 0.000 1.804e-13 -12.744 Sua - 7.881e-24 Surface + diffuse layer charge, eq + 6.192e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.462e-21 psi, V - 9.583e-20 -F*psi/RT + -2.114e-21 psi, V + 8.229e-20 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.998e+03 m² for 4.998e-01 g @@ -1931,11 +1929,11 @@ Sua Sua 4.998e-04 1.000 4.998e-04 -3.301 Sub - 7.207e-24 Surface + diffuse layer charge, eq + 8.827e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -2.776e-21 psi, V - 1.080e-19 -F*psi/RT + -2.833e-21 psi, V + 1.103e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 5.003e+03 m² for 5.003e-01 g @@ -2061,8 +2059,8 @@ Sua -3.047e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -1.114e-18 psi, V - 4.337e-17 -F*psi/RT + -1.115e-18 psi, V + 4.338e-17 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+00 m² for 1.500e-04 g @@ -2175,8 +2173,8 @@ Sua -1.838e-26 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -1.711e-23 psi, V - 6.662e-22 -F*psi/RT + -1.280e-23 psi, V + 4.980e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e-08 m² for 1.500e-12 g @@ -2344,7 +2342,7 @@ Adapting surface in 1 Diffuse Double Layer Surface-Complexation Model Hfo - -9.499e-13 Surface + diffuse layer charge, eq + -9.491e-13 Surface + diffuse layer charge, eq 3.291e-06 Surface charge, eq 6.017e-03 sigma, C/m² 6.767e-02 psi, V @@ -2361,7 +2359,7 @@ Hfo Boltzmann factor, exp(-psi_DL * F / RT) = 1.403e-05 (= c_DL / c_free if z is +1). Element Moles - Ca 1.0180e-23 + Ca 1.0179e-23 Cl 3.2905e-06 H 3.5904e-10 Na 6.4791e-16 @@ -2388,7 +2386,7 @@ Hfo_w Hfo_wOCa+ 6.098e-10 0.000 6.098e-10 -9.215 Sorbedhfo - -9.499e-13 Surface + diffuse layer charge, eq + -9.491e-13 Surface + diffuse layer charge, eq 3.291e-06 Surface charge, eq 6.017e-03 sigma, C/m² 6.767e-02 psi, V @@ -2432,11 +2430,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 6.098e-10 0.000 6.098e-10 -9.215 Sua - 1.302e-16 Surface + diffuse layer charge, eq + 1.301e-16 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.718e-14 psi, V - 1.447e-12 -F*psi/RT + -3.715e-14 psi, V + 1.446e-12 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.999e+03 m² for 4.999e-01 g @@ -2463,11 +2461,11 @@ Sua Sua 4.999e-04 1.000 4.999e-04 -3.301 Sub - 2.604e-16 Surface + diffuse layer charge, eq + 2.602e-16 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.718e-14 psi, V - 1.447e-12 -F*psi/RT + -3.715e-14 psi, V + 1.446e-12 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.000e+04 m² for 1.000e+00 g @@ -2704,7 +2702,7 @@ Hfo_w Hfo_wOCa+ 1.139e-10 0.000 1.139e-10 -9.944 Sorbedhfo - 5.295e-21 Surface + diffuse layer charge, eq + 5.296e-21 Surface + diffuse layer charge, eq 1.132e-13 Surface charge, eq 1.381e-03 sigma, C/m² 4.702e-02 psi, V @@ -2818,7 +2816,7 @@ Adapting surface in 4 Diffuse Double Layer Surface-Complexation Model Hfo - 2.278e-22 Surface + diffuse layer charge, eq + 2.276e-22 Surface + diffuse layer charge, eq 5.051e-15 Surface charge, eq 6.160e-05 sigma, C/m² 6.566e-02 psi, V @@ -2835,7 +2833,7 @@ Hfo Boltzmann factor, exp(-psi_DL * F / RT) = 1.586e-07 (= c_DL / c_free if z is +1). Element Moles - Ca 2.2455e-45 + Ca 2.2468e-45 Cl 3.9918e-22 H 5.0513e-15 Na 5.6577e-37 @@ -2862,11 +2860,11 @@ Hfo_w Hfo_wOCa+ 1.211e-28 0.000 1.211e-28 -27.917 Sua - -1.368e-47 Surface + diffuse layer charge, eq + -1.095e-47 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 9.988e-24 psi, V - -3.888e-22 -F*psi/RT + 4.846e-24 psi, V + -1.886e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e-16 m² for 1.500e-20 g @@ -2893,11 +2891,11 @@ Sua Sua 1.500e-23 1.000 1.500e-23 -22.824 Sub - -1.726e-31 Surface + diffuse layer charge, eq + -7.396e-32 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 1.450e-23 psi, V - -5.644e-22 -F*psi/RT + 9.174e-24 psi, V + -3.571e-22 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.503e+00 m² for 1.503e-04 g @@ -2932,7 +2930,7 @@ Adapting surface in 5 Diffuse Double Layer Surface-Complexation Model Hfo - 4.774e-20 Surface + diffuse layer charge, eq + 4.793e-20 Surface + diffuse layer charge, eq 3.038e-09 Surface charge, eq 6.346e-03 sigma, C/m² 7.006e-02 psi, V @@ -2949,7 +2947,7 @@ Hfo Boltzmann factor, exp(-psi_DL * F / RT) = 1.332e-05 (= c_DL / c_free if z is +1). Element Moles - Ca 7.9162e-27 + Ca 7.9161e-27 Cl 3.0373e-09 H 3.0144e-13 Na 5.3753e-19 @@ -2976,7 +2974,7 @@ Hfo_w Hfo_wOCa+ 4.386e-13 0.000 4.386e-13 -12.358 Sorbedhfo - 3.331e-20 Surface + diffuse layer charge, eq + 3.356e-20 Surface + diffuse layer charge, eq 2.170e-09 Surface charge, eq 6.346e-03 sigma, C/m² 7.006e-02 psi, V @@ -3020,11 +3018,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 3.133e-13 0.000 3.133e-13 -12.504 Sua - 2.822e-23 Surface + diffuse layer charge, eq + 3.027e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -8.932e-21 psi, V - 3.477e-19 -F*psi/RT + -7.741e-21 psi, V + 3.013e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.998e+03 m² for 4.998e-01 g @@ -3051,11 +3049,11 @@ Sua Sua 4.998e-04 1.000 4.998e-04 -3.301 Sub - 5.648e-23 Surface + diffuse layer charge, eq + 6.545e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -8.433e-21 psi, V - 3.282e-19 -F*psi/RT + -8.180e-21 psi, V + 3.184e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.000e+04 m² for 1.000e+00 g @@ -3090,7 +3088,7 @@ Adapting surface in 6 Diffuse Double Layer Surface-Complexation Model Hfo - 1.697e-21 Surface + diffuse layer charge, eq + 1.961e-21 Surface + diffuse layer charge, eq -2.240e-11 Surface charge, eq -1.093e-04 sigma, C/m² -2.136e-03 psi, V @@ -3134,7 +3132,7 @@ Hfo_w Hfo_wOCa+ 3.098e-11 0.000 3.098e-11 -10.509 Sorbedhfo - 5.856e-22 Surface + diffuse layer charge, eq + 5.790e-22 Surface + diffuse layer charge, eq -7.469e-12 Surface charge, eq -1.093e-04 sigma, C/m² -2.136e-03 psi, V @@ -3178,7 +3176,7 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 1.033e-11 0.000 1.033e-11 -10.986 Sua - 2.579e-25 Surface + diffuse layer charge, eq + 2.577e-25 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² -3.243e-19 psi, V @@ -3209,11 +3207,11 @@ Sua Sua 1.500e-07 1.000 1.500e-07 -6.824 Sub - 5.152e-25 Surface + diffuse layer charge, eq + 5.157e-25 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -3.241e-19 psi, V - 1.261e-17 -F*psi/RT + -3.243e-19 psi, V + 1.262e-17 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 3.000e+00 m² for 3.000e-04 g @@ -3265,7 +3263,7 @@ Hfo Boltzmann factor, exp(-psi_DL * F / RT) = 1.727e-06 (= c_DL / c_free if z is +1). Element Moles - Ca 2.7923e-30 + Ca 2.7922e-30 Cl 4.8077e-10 H 4.2709e-14 Na 1.4202e-21 @@ -3450,7 +3448,7 @@ Hfo_w Hfo_wOCa+ 8.324e-10 0.000 8.324e-10 -9.080 Sua - -8.056e-19 Surface + diffuse layer charge, eq + -8.057e-19 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² 1.672e-16 psi, V @@ -3481,7 +3479,7 @@ Sua Sua 1.000e-03 1.000 1.000e-03 -3.000 Sub - -8.056e-19 Surface + diffuse layer charge, eq + -8.057e-19 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² 1.672e-16 psi, V @@ -3564,7 +3562,7 @@ Hfo_w Hfo_wOCa+ 6.690e-10 0.000 6.690e-10 -9.175 Sorbedhfo - -4.815e-14 Surface + diffuse layer charge, eq + -4.814e-14 Surface + diffuse layer charge, eq 5.072e-06 Surface charge, eq 6.183e-03 sigma, C/m² 6.734e-02 psi, V @@ -3608,11 +3606,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 1.004e-09 0.000 1.004e-09 -8.998 Sua - 2.377e-18 Surface + diffuse layer charge, eq + 2.376e-18 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -6.537e-16 psi, V - 2.545e-14 -F*psi/RT + -6.535e-16 psi, V + 2.544e-14 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.999e+03 m² for 4.999e-01 g @@ -3639,11 +3637,11 @@ Sua Sua 4.999e-04 1.000 4.999e-04 -3.301 Sub - 4.755e-18 Surface + diffuse layer charge, eq + 4.753e-18 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -6.537e-16 psi, V - 2.545e-14 -F*psi/RT + -6.535e-16 psi, V + 2.544e-14 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.000e+04 m² for 1.000e+00 g @@ -3994,7 +3992,7 @@ Adapting surface in 4 Diffuse Double Layer Surface-Complexation Model Hfo - 3.289e-16 Surface + diffuse layer charge, eq + 3.287e-16 Surface + diffuse layer charge, eq 1.645e-08 Surface charge, eq 2.408e-04 sigma, C/m² 9.907e-02 psi, V @@ -4038,11 +4036,11 @@ Hfo_w Hfo_wOCa+ 4.534e-16 0.000 4.534e-16 -15.344 Sua - -2.375e-42 Surface + diffuse layer charge, eq + -2.372e-42 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -1.065e-19 psi, V - 4.146e-18 -F*psi/RT + -1.074e-19 psi, V + 4.182e-18 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e-16 m² for 1.500e-20 g @@ -4069,11 +4067,11 @@ Sua Sua 1.500e-23 1.000 1.500e-23 -22.824 Sub - -2.374e-22 Surface + diffuse layer charge, eq + -2.372e-22 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -1.065e-19 psi, V - 4.146e-18 -F*psi/RT + -1.074e-19 psi, V + 4.182e-18 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+04 m² for 1.500e+00 g @@ -4108,7 +4106,7 @@ Adapting surface in 5 Diffuse Double Layer Surface-Complexation Model Hfo - 9.256e-21 Surface + diffuse layer charge, eq + 8.865e-21 Surface + diffuse layer charge, eq 2.257e-09 Surface charge, eq 4.401e-03 sigma, C/m² 5.298e-02 psi, V @@ -4152,7 +4150,7 @@ Hfo_w Hfo_wOCa+ 1.912e-12 0.000 1.912e-12 -11.719 Sorbedhfo - 9.092e-21 Surface + diffuse layer charge, eq + 8.907e-21 Surface + diffuse layer charge, eq 2.558e-09 Surface charge, eq 4.401e-03 sigma, C/m² 5.298e-02 psi, V @@ -4196,11 +4194,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 2.167e-12 0.000 2.167e-12 -11.664 Sua - 1.004e-23 Surface + diffuse layer charge, eq + 9.446e-24 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -4.208e-21 psi, V - 1.638e-19 -F*psi/RT + -3.287e-21 psi, V + 1.279e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.998e+03 m² for 4.998e-01 g @@ -4227,11 +4225,11 @@ Sua Sua 4.998e-04 1.000 4.998e-04 -3.301 Sub - 3.261e-23 Surface + diffuse layer charge, eq + 3.458e-23 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -4.262e-21 psi, V - 1.659e-19 -F*psi/RT + -3.633e-21 psi, V + 1.414e-19 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+04 m² for 1.500e+00 g @@ -4310,7 +4308,7 @@ Hfo_w Hfo_wOCa+ 3.996e-16 0.000 3.996e-16 -15.398 Sorbedhfo - 9.991e-19 Surface + diffuse layer charge, eq + 9.993e-19 Surface + diffuse layer charge, eq 4.628e-09 Surface charge, eq 2.708e-02 sigma, C/m² 1.475e-01 psi, V @@ -4327,7 +4325,7 @@ Sorbedhfo Boltzmann factor, exp(-psi_DL * F / RT) = 2.456e-06 (= c_DL / c_free if z is +1). Element Moles - Ca 7.0675e-29 + Ca 7.0673e-29 Cl 4.6279e-09 H 2.7220e-14 Na 2.7759e-20 @@ -4354,11 +4352,11 @@ Sorbedhfo_w Sorbedhfo_wOCa+ 2.855e-16 0.000 2.855e-16 -15.544 Sua - -1.044e-27 Surface + diffuse layer charge, eq + -2.557e-27 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 6.715e-22 psi, V - -2.614e-20 -F*psi/RT + 1.863e-21 psi, V + -7.251e-20 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 1.500e+00 m² for 1.500e-04 g @@ -4373,9 +4371,9 @@ Sua Element Moles Ca 1.0375e-15 Cl 1.0340e-12 - H 3.9797e-15 + H 3.9796e-15 Na 1.0280e-12 - O 7.4167e-18 + O 7.4148e-18 Sua 1.500e-07 moles @@ -4385,11 +4383,11 @@ Sua Sua 1.500e-07 1.000 1.500e-07 -6.824 Sub - -4.044e-27 Surface + diffuse layer charge, eq + -8.480e-27 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - 1.076e-21 psi, V - -4.187e-20 -F*psi/RT + 2.246e-21 psi, V + -8.743e-20 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g 4.500e+00 m² for 4.500e-04 g @@ -4406,7 +4404,7 @@ Sub Cl 3.1021e-12 H 1.1939e-14 Na 3.0840e-12 - O 2.2250e-17 + O 2.2244e-17 Sub 4.500e-07 moles @@ -4424,7 +4422,7 @@ Adapting surface in 7 Diffuse Double Layer Surface-Complexation Model Hfo - -1.440e-19 Surface + diffuse layer charge, eq + -1.439e-19 Surface + diffuse layer charge, eq -6.022e-11 Surface charge, eq -5.877e-04 sigma, C/m² -1.434e-02 psi, V @@ -4468,7 +4466,7 @@ Hfo_w Hfo_wOCa+ 2.551e-11 0.000 2.551e-11 -10.593 Sorbedhfo - -4.766e-20 Surface + diffuse layer charge, eq + -4.760e-20 Surface + diffuse layer charge, eq -2.008e-11 Surface charge, eq -5.877e-04 sigma, C/m² -1.434e-02 psi, V @@ -4546,7 +4544,7 @@ Sub 1.084e-31 Surface + diffuse layer charge, eq 0.000e+00 Surface charge, eq 0.000e+00 sigma, C/m² - -8.619e-18 psi, V + -8.620e-18 psi, V 3.355e-16 -F*psi/RT 1.000e+00 exp(-F*psi/RT) 1.000e+04 specific area, m²/g diff --git a/mytest/sc6b_101.sel b/mytest/sc6b_101.sel index 3faa2cbbc..3f1447807 100644 --- a/mytest/sc6b_101.sel +++ b/mytest/sc6b_101.sel @@ -1,9 +1,9 @@ Mu SC - 0.000000100661 0.0546997344 + 0.000000100661 0.0546997345 0.001002104166 0.0560854568 0.001002104164 0.0560854568 - 0.001002104164 0.0560854655 - 0.001002104164 0.0560854655 + 0.001002104164 0.0560854656 + 0.001002104164 0.0560854656 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.000000100645 0.0546913856 @@ -12,34 +12,34 @@ 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.001002104164 0.0560854657 - 0.000501089944 0.0724217593 - 0.000000250975 0.0546988308 + 0.000501089944 0.0724217594 + 0.000000250975 0.0546988309 0.000000100645 0.0546913856 0.000000100645 0.0546913856 0.000500930909 0.0561095639 - 0.000000250961 0.0547010256 + 0.000000250961 0.0547010257 0.000000100645 0.0546913856 0.001002104164 0.0560854657 - 0.000751503770 0.0610303079 - 0.000250959478 0.0737216963 - 0.000000250955 0.0546990452 + 0.000751503770 0.0610303080 + 0.000250959478 0.0737216964 + 0.000000250955 0.0546990453 0.000000100645 0.0546913856 0.000751429740 0.0549196330 0.000250827741 0.1817421330 - 0.000000250940 0.0547215807 - 0.001002104164 0.0560854579 + 0.000000250940 0.0547215808 + 0.001002104164 0.0560854580 0.000876794928 0.0576444288 - 0.000500442977 0.1678079317 + 0.000500442977 0.1678079318 0.000126002661 0.0584141959 - 0.000000100645 0.0546913884 - 0.000876722598 0.0598212918 + 0.000000100645 0.0546913885 + 0.000876722598 0.0598212919 0.000501674219 0.2888425724 - 0.000126057710 0.3239044410 - 0.001002104164 0.0560854580 + 0.000126057710 0.3239044411 + 0.001002104164 0.0560854581 0.000939351895 0.0574426535 - 0.000690081297 0.1527159533 + 0.000690081297 0.1527159525 0.000312947907 0.6201279003 0.000000372004 0.1331364779 0.000939402801 0.0550433085 - 0.000690081520 0.9147315032 + 0.000690081520 0.9147314983 0.000314067846 0.4634003601 diff --git a/mytest/seaw_0_200C.out b/mytest/seaw_0_200C.out index d09f0ed03..31c8a900f 100644 --- a/mytest/seaw_0_200C.out +++ b/mytest/seaw_0_200C.out @@ -76,7 +76,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 52865 Density (g/cm³) = 1.02327 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.705e-01 Mass of water (kg) = 1.000e+00 @@ -135,7 +135,6 @@ Na 4.850e-01 Na+ 4.708e-01 3.378e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.397e-02 9.480e-03 -1.855 -2.023 -0.168 8.22 NaHCO3 2.247e-04 3.059e-04 -3.648 -3.514 0.134 31.73 - NaOH 4.769e-17 5.565e-17 -16.322 -16.255 0.067 (0) O(0) 1.040e-37 O2 5.200e-38 6.068e-38 -37.284 -37.217 0.067 30.40 S(6) 2.930e-02 @@ -197,7 +196,7 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 8.604 Charge balance - pe = 11.652 Adjusted to redox equilibrium + pe = 11.651 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 28405 Density (g/cm³) = 1.02805 Volume (L) = 1.00807 @@ -223,7 +222,7 @@ Using temperature 1. H+ 3.272e-09 2.490e-09 -8.485 -8.604 -0.119 0.00 H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.02 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -139.109 -139.041 0.068 32.63 + CH4 0.000e+00 0.000e+00 -139.104 -139.036 0.068 32.63 C(4) 2.235e-03 HCO3- 1.631e-03 1.114e-03 -2.788 -2.953 -0.165 23.26 MgHCO3+ 3.042e-04 1.941e-04 -3.517 -3.712 -0.195 4.52 @@ -246,7 +245,7 @@ Cl 5.660e-01 Cl- 5.660e-01 3.625e-01 -0.247 -0.441 -0.194 17.11 HCl 1.869e-10 3.630e-10 -9.728 -9.440 0.288 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -43.611 -43.544 0.068 28.65 + H2 0.000e+00 0.000e+00 -43.610 -43.543 0.068 28.65 K 1.060e-02 K+ 1.037e-02 6.562e-03 -1.984 -2.183 -0.199 8.49 KSO4- 2.315e-04 2.128e-04 -3.635 -3.672 -0.037 5.57 @@ -262,14 +261,13 @@ Na 4.850e-01 Na+ 4.718e-01 3.436e-01 -0.326 -0.464 -0.138 -2.25 NaSO4- 1.304e-02 8.946e-03 -1.885 -2.048 -0.164 3.10 NaHCO3 1.124e-04 1.536e-04 -3.949 -3.814 0.135 31.92 - NaOH 1.334e-17 1.559e-17 -16.875 -16.807 0.068 (0) -O(0) 1.310e-14 - O2 6.549e-15 7.655e-15 -14.184 -14.116 0.068 27.49 +O(0) 1.303e-14 + O2 6.513e-15 7.612e-15 -14.186 -14.118 0.068 27.49 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -135.381 -135.589 -0.209 19.01 - H2S 0.000e+00 0.000e+00 -136.909 -136.842 0.068 26.92 - S-2 0.000e+00 0.000e+00 -140.024 -140.715 -0.692 (0) - (H2S)2 0.000e+00 0.000e+00 -275.358 -275.291 0.068 30.91 + HS- 0.000e+00 0.000e+00 -135.376 -135.585 -0.209 19.01 + H2S 0.000e+00 0.000e+00 -136.904 -136.837 0.068 26.92 + S-2 0.000e+00 0.000e+00 -140.019 -140.710 -0.692 (0) + (H2S)2 0.000e+00 0.000e+00 -275.349 -275.281 0.068 30.91 S(6) 2.930e-02 NaSO4- 1.304e-02 8.946e-03 -1.885 -2.048 -0.164 3.10 SO4-2 1.153e-02 2.202e-03 -1.938 -2.657 -0.719 31.36 @@ -288,7 +286,7 @@ S(6) 2.930e-02 Aragonite 0.66 -7.56 -8.22 CaCO3 Arcanite -4.72 -7.02 -2.31 K2SO4 Calcite 0.83 -7.56 -8.39 CaCO3 - CH4(g) -136.57 -139.04 -2.47 CH4 + CH4(g) -136.56 -139.04 -2.47 CH4 CO2(g) -3.86 -4.97 -1.11 CO2 Dolomite 2.47 -14.35 -16.82 CaMg(CO3)2 Epsomite -2.63 -4.53 -1.89 MgSO4:7H2O @@ -328,7 +326,7 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 8.288 Charge balance - pe = 10.134 Adjusted to redox equilibrium + pe = 10.133 Adjusted to redox equilibrium Specific Conductance (µS/cm, 20°C) = 47711 Density (g/cm³) = 1.02469 Volume (L) = 1.01138 @@ -354,7 +352,7 @@ Using temperature 1. H+ 6.806e-09 5.147e-09 -8.167 -8.288 -0.121 0.00 H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.05 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -127.224 -127.157 0.067 35.01 + CH4 0.000e+00 0.000e+00 -127.221 -127.154 0.067 35.01 C(4) 2.235e-03 HCO3- 1.563e-03 1.058e-03 -2.806 -2.975 -0.169 25.65 MgHCO3+ 2.814e-04 1.776e-04 -3.551 -3.751 -0.200 5.65 @@ -377,7 +375,7 @@ Cl 5.660e-01 Cl- 5.660e-01 3.584e-01 -0.247 -0.446 -0.198 18.60 HCl 3.394e-10 6.555e-10 -9.469 -9.183 0.286 (0) H(0) 0.000e+00 - H2 0.000e+00 1.066e-40 -40.040 -39.972 0.067 28.61 + H2 0.000e+00 1.068e-40 -40.039 -39.972 0.067 28.61 K 1.060e-02 K+ 1.040e-02 6.511e-03 -1.983 -2.186 -0.204 9.50 KSO4- 1.927e-04 1.751e-04 -3.715 -3.757 -0.042 10.50 @@ -393,14 +391,13 @@ Na 4.850e-01 Na+ 4.708e-01 3.390e-01 -0.327 -0.470 -0.143 -0.75 NaSO4- 1.396e-02 9.494e-03 -1.855 -2.023 -0.167 7.54 NaHCO3 1.985e-04 2.705e-04 -3.702 -3.568 0.134 31.77 - NaOH 3.787e-17 4.421e-17 -16.422 -16.354 0.067 (0) -O(0) 1.382e-14 - O2 6.910e-15 8.066e-15 -14.161 -14.093 0.067 29.98 +O(0) 1.376e-14 + O2 6.882e-15 8.034e-15 -14.162 -14.095 0.067 29.98 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.761 -123.975 -0.214 21.06 - H2S 0.000e+00 0.000e+00 -125.321 -125.254 0.067 34.96 - S-2 0.000e+00 0.000e+00 -128.048 -128.756 -0.708 (0) - (H2S)2 0.000e+00 0.000e+00 -251.909 -251.842 0.067 30.29 + HS- 0.000e+00 0.000e+00 -123.758 -123.972 -0.214 21.06 + H2S 0.000e+00 0.000e+00 -125.317 -125.250 0.067 34.96 + S-2 0.000e+00 0.000e+00 -128.045 -128.752 -0.708 (0) + (H2S)2 0.000e+00 0.000e+00 -251.902 -251.835 0.067 30.29 S(6) 2.930e-02 NaSO4- 1.396e-02 9.494e-03 -1.855 -2.023 -0.167 7.54 SO4-2 9.763e-03 1.799e-03 -2.010 -2.745 -0.735 37.71 @@ -419,19 +416,19 @@ S(6) 2.930e-02 Aragonite 0.65 -7.66 -8.31 CaCO3 Arcanite -5.17 -7.12 -1.95 K2SO4 Calcite 0.79 -7.66 -8.45 CaCO3 - CH4(g) -124.40 -127.16 -2.75 CH4 + CH4(g) -124.40 -127.15 -2.75 CH4 CO2(g) -3.47 -4.87 -1.41 CO2 Dolomite 2.45 -14.56 -17.00 CaMg(CO3)2 Epsomite -2.87 -4.64 -1.77 MgSO4:7H2O Gypsum -0.78 -5.36 -4.58 CaSO4:2H2O H2(g) -36.88 -39.97 -3.09 H2 H2O(g) -1.64 -0.01 1.63 H2O - H2S(g) -124.32 -132.26 -7.95 H2S + H2S(g) -124.31 -132.26 -7.95 H2S Halite -2.48 -0.92 1.57 NaCl Hexahydrite -3.06 -4.63 -1.57 MgSO4:6H2O Kieserite -3.39 -4.59 -1.20 MgSO4:H2O Mirabilite -2.30 -3.77 -1.46 Na2SO4:10H2O - O2(g) -11.24 -14.09 -2.85 O2 + O2(g) -11.24 -14.10 -2.85 O2 Sulfur -93.41 -88.41 5.00 S Sylvite -3.51 -2.63 0.87 KCl Thenardite -3.41 -3.68 -0.28 Na2SO4 @@ -459,7 +456,7 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 8.029 Charge balance - pe = 8.786 Adjusted to redox equilibrium + pe = 8.785 Adjusted to redox equilibrium Specific Conductance (µS/cm, 40°C) = 68828 Density (g/cm³) = 1.01792 Volume (L) = 1.01811 @@ -485,7 +482,7 @@ Using temperature 1. H+ 1.248e-08 9.365e-09 -7.904 -8.029 -0.125 0.00 H2O 5.551e+01 9.807e-01 1.744 -0.008 0.000 18.16 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -116.887 -116.821 0.067 36.62 + CH4 0.000e+00 0.000e+00 -116.881 -116.814 0.067 36.62 C(4) 2.235e-03 HCO3- 1.455e-03 9.746e-04 -2.837 -3.011 -0.174 26.66 NaHCO3 3.132e-04 4.258e-04 -3.504 -3.371 0.133 31.56 @@ -507,8 +504,8 @@ Ca 1.070e-02 Cl 5.660e-01 Cl- 5.660e-01 3.533e-01 -0.247 -0.452 -0.205 19.07 HCl 5.403e-10 1.038e-09 -9.267 -8.984 0.284 (0) -H(0) 2.480e-37 - H2 1.240e-37 1.446e-37 -36.907 -36.840 0.067 28.59 +H(0) 2.489e-37 + H2 1.245e-37 1.451e-37 -36.905 -36.838 0.067 28.59 K 1.060e-02 K+ 1.042e-02 6.423e-03 -1.982 -2.192 -0.210 10.05 KSO4- 1.807e-04 1.621e-04 -3.743 -3.790 -0.047 13.33 @@ -524,14 +521,13 @@ Na 4.850e-01 Na+ 4.710e-01 3.343e-01 -0.327 -0.476 -0.149 0.04 NaSO4- 1.369e-02 9.214e-03 -1.863 -2.036 -0.172 9.67 NaHCO3 3.132e-04 4.258e-04 -3.504 -3.371 0.133 31.56 - NaOH 8.792e-17 1.025e-16 -16.056 -15.989 0.067 (0) -O(0) 1.337e-14 - O2 6.686e-15 7.796e-15 -14.175 -14.108 0.067 31.40 +O(0) 1.327e-14 + O2 6.636e-15 7.737e-15 -14.178 -14.111 0.067 31.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -113.564 -113.784 -0.220 21.90 - H2S 0.000e+00 0.000e+00 -115.106 -115.040 0.067 39.35 - S-2 0.000e+00 0.000e+00 -117.520 -118.249 -0.728 (0) - (H2S)2 0.000e+00 0.000e+00 -231.278 -231.212 0.067 29.37 + HS- 0.000e+00 0.000e+00 -113.557 -113.777 -0.220 21.90 + H2S 0.000e+00 0.000e+00 -115.100 -115.033 0.067 39.35 + S-2 0.000e+00 0.000e+00 -117.514 -118.242 -0.728 (0) + (H2S)2 0.000e+00 0.000e+00 -231.265 -231.199 0.067 29.37 S(6) 2.930e-02 NaSO4- 1.369e-02 9.214e-03 -1.863 -2.036 -0.172 9.67 SO4-2 8.702e-03 1.531e-03 -2.060 -2.815 -0.755 39.37 @@ -550,19 +546,19 @@ S(6) 2.930e-02 Aragonite 0.62 -7.82 -8.45 CaCO3 Arcanite -5.49 -7.20 -1.71 K2SO4 Calcite 0.79 -7.82 -8.62 CaCO3 - CH4(g) -113.91 -116.82 -2.91 CH4 + CH4(g) -113.90 -116.81 -2.91 CH4 CO2(g) -3.11 -4.73 -1.63 CO2 Dolomite 2.50 -14.89 -17.40 CaMg(CO3)2 Epsomite -3.10 -4.74 -1.65 MgSO4:7H2O Gypsum -0.85 -5.45 -4.60 CaSO4:2H2O H2(g) -33.71 -36.84 -3.13 H2 H2O(g) -1.15 -0.01 1.14 H2O - H2S(g) -113.90 -121.81 -7.92 H2S + H2S(g) -113.89 -121.81 -7.92 H2S Halite -2.51 -0.93 1.58 NaCl Hexahydrite -3.19 -4.73 -1.55 MgSO4:6H2O Kieserite -3.55 -4.69 -1.14 MgSO4:H2O Mirabilite -3.18 -3.85 -0.67 Na2SO4:10H2O - O2(g) -11.12 -14.11 -2.98 O2 + O2(g) -11.13 -14.11 -2.98 O2 Sulfur -85.96 -81.41 4.55 S Sylvite -3.62 -2.64 0.97 KCl Thenardite -3.39 -3.77 -0.37 Na2SO4 @@ -594,7 +590,7 @@ Using temperature 1. Specific Conductance (µS/cm, 60°C) = 90662 Density (g/cm³) = 1.00857 Volume (L) = 1.02754 - Viscosity (mPa s) = 0.50850 + Viscosity (mPa s) = 0.50851 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.615e-01 Mass of water (kg) = 1.000e+00 @@ -616,7 +612,7 @@ Using temperature 1. H+ 2.254e-08 1.676e-08 -7.647 -7.776 -0.129 0.00 H2O 5.551e+01 9.807e-01 1.744 -0.008 0.000 18.32 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -109.232 -109.166 0.066 38.02 + CH4 0.000e+00 0.000e+00 -109.231 -109.164 0.066 38.02 C(4) 2.235e-03 HCO3- 1.320e-03 8.722e-04 -2.880 -3.059 -0.180 26.91 NaHCO3 4.490e-04 6.089e-04 -3.348 -3.215 0.132 31.26 @@ -638,8 +634,8 @@ Ca 1.070e-02 Cl 5.660e-01 Cl- 5.660e-01 3.473e-01 -0.247 -0.459 -0.212 18.99 HCl 8.437e-10 1.613e-09 -9.074 -8.792 0.282 (0) -H(0) 6.363e-35 - H2 3.181e-35 3.705e-35 -34.497 -34.431 0.066 28.58 +H(0) 6.369e-35 + H2 3.184e-35 3.708e-35 -34.497 -34.431 0.066 28.58 K 1.060e-02 K+ 1.042e-02 6.312e-03 -1.982 -2.200 -0.218 10.42 KSO4- 1.808e-04 1.596e-04 -3.743 -3.797 -0.054 15.08 @@ -655,14 +651,13 @@ Na 4.850e-01 Na+ 4.716e-01 3.292e-01 -0.326 -0.483 -0.156 0.53 NaSO4- 1.291e-02 8.573e-03 -1.889 -2.067 -0.178 10.68 NaHCO3 4.490e-04 6.089e-04 -3.348 -3.215 0.132 31.26 - NaOH 1.597e-16 1.860e-16 -15.797 -15.731 0.066 (0) -O(0) 6.444e-14 - O2 3.222e-14 3.752e-14 -13.492 -13.426 0.066 32.38 +O(0) 6.431e-14 + O2 3.216e-14 3.745e-14 -13.493 -13.427 0.066 32.38 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -105.963 -106.190 -0.227 22.12 - H2S 0.000e+00 0.000e+00 -107.411 -107.345 0.066 42.24 - S-2 0.000e+00 0.000e+00 -109.648 -110.401 -0.752 (0) - (H2S)2 0.000e+00 0.000e+00 -215.743 -215.677 0.066 28.10 + HS- 0.000e+00 0.000e+00 -105.961 -106.189 -0.227 22.12 + H2S 0.000e+00 0.000e+00 -107.409 -107.343 0.066 42.24 + S-2 0.000e+00 0.000e+00 -109.646 -110.399 -0.752 (0) + (H2S)2 0.000e+00 0.000e+00 -215.740 -215.673 0.066 28.10 S(6) 2.930e-02 NaSO4- 1.291e-02 8.573e-03 -1.889 -2.067 -0.178 10.68 SO4-2 7.851e-03 1.306e-03 -2.105 -2.884 -0.779 38.81 @@ -681,14 +676,14 @@ S(6) 2.930e-02 Aragonite 0.57 -8.07 -8.64 CaCO3 Arcanite -5.72 -7.28 -1.57 K2SO4 Calcite 0.81 -8.07 -8.88 CaCO3 - CH4(g) -106.18 -109.17 -2.99 CH4 + CH4(g) -106.17 -109.16 -2.99 CH4 CO2(g) -2.75 -4.54 -1.78 CO2 Dolomite 2.56 -15.40 -17.96 CaMg(CO3)2 Epsomite -3.33 -4.85 -1.52 MgSO4:7H2O Gypsum -0.89 -5.54 -4.65 CaSO4:2H2O H2(g) -31.29 -34.43 -3.14 H2 H2O(g) -0.72 -0.01 0.71 H2O - H2S(g) -106.05 -113.97 -7.92 H2S + H2S(g) -106.05 -113.96 -7.92 H2S Halite -2.54 -0.94 1.60 NaCl Hexahydrite -3.32 -4.84 -1.52 MgSO4:6H2O Kieserite -3.52 -4.80 -1.28 MgSO4:H2O @@ -722,7 +717,7 @@ Using temperature 1. pH = 7.502 Charge balance pe = 6.648 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 80°C) = 112201 + Specific Conductance (µS/cm, 80°C) = 112200 Density (g/cm³) = 0.99712 Volume (L) = 1.03934 Viscosity (mPa s) = 0.38806 @@ -747,7 +742,7 @@ Using temperature 1. H+ 4.278e-08 3.146e-08 -7.369 -7.502 -0.133 0.00 H2O 5.551e+01 9.807e-01 1.744 -0.008 0.000 18.54 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -99.889 -99.824 0.066 39.45 + CH4 0.000e+00 0.000e+00 -99.886 -99.821 0.066 39.45 C(4) 2.235e-03 HCO3- 1.160e-03 7.547e-04 -2.936 -3.122 -0.187 26.61 NaHCO3 5.876e-04 7.949e-04 -3.231 -3.100 0.131 30.86 @@ -769,8 +764,8 @@ Ca 1.070e-02 Cl 5.660e-01 Cl- 5.660e-01 3.404e-01 -0.247 -0.468 -0.221 18.50 HCl 1.379e-09 2.623e-09 -8.860 -8.581 0.279 (0) -H(0) 3.838e-32 - H2 1.919e-32 2.232e-32 -31.717 -31.651 0.066 28.57 +H(0) 3.844e-32 + H2 1.922e-32 2.236e-32 -31.716 -31.651 0.066 28.57 K 1.060e-02 K+ 1.041e-02 6.182e-03 -1.983 -2.209 -0.226 10.69 KSO4- 1.856e-04 1.610e-04 -3.731 -3.793 -0.062 16.08 @@ -786,14 +781,13 @@ Na 4.850e-01 Na+ 4.724e-01 3.233e-01 -0.326 -0.490 -0.165 0.87 NaSO4- 1.206e-02 7.883e-03 -1.919 -2.103 -0.185 10.98 NaHCO3 5.876e-04 7.949e-04 -3.231 -3.100 0.131 30.86 - NaOH 2.234e-16 2.598e-16 -15.651 -15.585 0.066 (0) -O(0) 1.339e-14 - O2 6.693e-15 7.784e-15 -14.174 -14.109 0.066 33.17 +O(0) 1.334e-14 + O2 6.670e-15 7.758e-15 -14.176 -14.110 0.066 33.17 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -96.612 -96.849 -0.236 21.93 - H2S 0.000e+00 0.000e+00 -97.875 -97.810 0.066 44.39 - S-2 0.000e+00 0.000e+00 -100.102 -100.883 -0.781 (0) - (H2S)2 0.000e+00 0.000e+00 -196.575 -196.510 0.066 26.43 + HS- 0.000e+00 0.000e+00 -96.609 -96.846 -0.236 21.93 + H2S 0.000e+00 0.000e+00 -97.872 -97.807 0.066 44.39 + S-2 0.000e+00 0.000e+00 -100.099 -100.880 -0.781 (0) + (H2S)2 0.000e+00 0.000e+00 -196.569 -196.504 0.066 26.43 S(6) 2.930e-02 NaSO4- 1.206e-02 7.883e-03 -1.919 -2.103 -0.185 10.98 MgSO4 9.404e-03 1.272e-02 -2.027 -1.895 0.131 1.57 @@ -824,8 +818,8 @@ S(6) 2.930e-02 Hexahydrite -3.47 -4.97 -1.49 MgSO4:6H2O Kieserite -3.35 -4.92 -1.58 MgSO4:H2O Mirabilite -4.23 -4.03 0.21 Na2SO4:10H2O - O2(g) -11.00 -14.11 -3.11 O2 - Sulfur -73.31 -69.51 3.80 S + O2(g) -11.01 -14.11 -3.11 O2 + Sulfur -73.30 -69.51 3.80 S Sylvite -3.81 -2.68 1.13 KCl Thenardite -3.35 -3.94 -0.59 Na2SO4 @@ -852,8 +846,8 @@ Using temperature 1. ----------------------------Description of solution---------------------------- pH = 7.224 Charge balance - pe = 5.807 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 132560 + pe = 5.806 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 100°C) = 132559 Density (g/cm³) = 0.98386 Volume (L) = 1.05335 Viscosity (mPa s) = 0.30970 @@ -878,7 +872,7 @@ Using temperature 1. H+ 8.227e-08 5.975e-08 -7.085 -7.224 -0.139 0.00 H2O 5.551e+01 9.807e-01 1.744 -0.008 0.000 18.80 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -92.789 -92.724 0.065 41.06 + CH4 0.000e+00 0.000e+00 -92.784 -92.719 0.065 41.06 C(4) 2.235e-03 HCO3- 9.770e-04 6.246e-04 -3.010 -3.204 -0.194 25.76 NaHCO3 7.004e-04 9.451e-04 -3.155 -3.025 0.130 30.34 @@ -900,8 +894,8 @@ Ca 1.070e-02 Cl 5.660e-01 Cl- 5.660e-01 3.327e-01 -0.247 -0.478 -0.231 17.61 HCl 2.273e-09 4.301e-09 -8.643 -8.366 0.277 (0) -H(0) 5.830e-30 - H2 2.915e-30 3.386e-30 -29.535 -29.470 0.065 28.57 +H(0) 5.848e-30 + H2 2.924e-30 3.397e-30 -29.534 -29.469 0.065 28.57 K 1.060e-02 K+ 1.040e-02 6.037e-03 -1.983 -2.219 -0.236 10.93 KSO4- 1.911e-04 1.624e-04 -3.719 -3.790 -0.071 16.40 @@ -917,14 +911,13 @@ Na 4.850e-01 Na+ 4.729e-01 3.166e-01 -0.325 -0.500 -0.174 1.14 NaSO4- 1.141e-02 7.330e-03 -1.943 -2.135 -0.192 10.70 NaHCO3 7.004e-04 9.451e-04 -3.155 -3.025 0.130 30.34 - NaOH 2.584e-16 3.002e-16 -15.588 -15.523 0.065 (0) -O(0) 1.316e-14 - O2 6.578e-15 7.641e-15 -14.182 -14.117 0.065 33.90 +O(0) 1.307e-14 + O2 6.536e-15 7.593e-15 -14.185 -14.120 0.065 33.90 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -89.455 -89.702 -0.246 21.38 - H2S 0.000e+00 0.000e+00 -90.470 -90.404 0.065 46.17 - S-2 0.000e+00 0.000e+00 -92.800 -93.613 -0.813 (0) - (H2S)2 0.000e+00 0.000e+00 -181.707 -181.642 0.065 24.22 + HS- 0.000e+00 0.000e+00 -89.450 -89.696 -0.246 21.38 + H2S 0.000e+00 0.000e+00 -90.464 -90.399 0.065 46.17 + S-2 0.000e+00 0.000e+00 -92.794 -93.608 -0.813 (0) + (H2S)2 0.000e+00 0.000e+00 -181.696 -181.631 0.065 24.22 S(6) 2.930e-02 NaSO4- 1.141e-02 7.330e-03 -1.943 -2.135 -0.192 10.70 MgSO4 1.109e-02 1.497e-02 -1.955 -1.825 0.130 2.59 @@ -943,20 +936,20 @@ S(6) 2.930e-02 Aragonite 0.33 -8.84 -9.17 CaCO3 Arcanite -6.03 -7.50 -1.46 K2SO4 Calcite 0.78 -8.84 -9.61 CaCO3 - CH4(g) -89.72 -92.72 -3.00 CH4 + CH4(g) -89.71 -92.72 -3.00 CH4 CO2(g) -2.01 -3.99 -1.98 CO2 Dolomite 2.51 -16.97 -19.48 CaMg(CO3)2 Epsomite -3.84 -5.12 -1.27 MgSO4:7H2O Gypsum -0.93 -5.78 -4.85 CaSO4:2H2O H2(g) -26.37 -29.47 -3.10 H2 H2O(g) -0.01 -0.01 0.00 H2O - H2S(g) -88.92 -96.93 -8.00 H2S + H2S(g) -88.92 -96.92 -8.00 H2S Halite -2.60 -0.98 1.62 NaCl Hexahydrite -3.65 -5.11 -1.46 MgSO4:6H2O Kieserite -3.08 -5.07 -1.99 MgSO4:H2O Mirabilite -4.47 -4.14 0.33 Na2SO4:10H2O O2(g) -11.00 -14.12 -3.11 O2 - Sulfur -67.83 -64.34 3.48 S + Sulfur -67.82 -64.34 3.48 S Sylvite -3.90 -2.70 1.20 KCl Thenardite -3.33 -4.06 -0.73 Na2SO4 @@ -984,7 +977,7 @@ Using temperature 1. pH = 6.968 Charge balance pe = 5.058 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 120°C) = 151078 + Specific Conductance (µS/cm, 120°C) = 151076 Density (g/cm³) = 0.96899 Volume (L) = 1.06951 Viscosity (mPa s) = 0.25587 @@ -1010,7 +1003,7 @@ Using temperature 1. H+ 1.504e-07 1.077e-07 -6.823 -6.968 -0.145 0.00 H2O 5.551e+01 9.807e-01 1.744 -0.008 0.000 19.10 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -86.491 -86.426 0.065 43.00 + CH4 0.000e+00 0.000e+00 -86.485 -86.421 0.065 43.00 C(4) 2.235e-03 HCO3- 7.834e-04 4.907e-04 -3.106 -3.309 -0.203 24.33 NaHCO3 7.593e-04 1.022e-03 -3.120 -2.990 0.129 29.65 @@ -1032,8 +1025,8 @@ Ca 1.070e-02 Cl 5.660e-01 Cl- 5.660e-01 3.243e-01 -0.247 -0.489 -0.242 16.28 HCl 3.547e-09 6.680e-09 -8.450 -8.175 0.275 (0) -H(0) 5.275e-28 - H2 2.637e-28 3.060e-28 -27.579 -27.514 0.065 28.56 +H(0) 5.290e-28 + H2 2.645e-28 3.069e-28 -27.578 -27.513 0.065 28.56 K 1.060e-02 K+ 1.040e-02 5.878e-03 -1.983 -2.231 -0.248 11.16 KSO4- 1.947e-04 1.618e-04 -3.711 -3.791 -0.080 16.04 @@ -1049,14 +1042,13 @@ Na 4.850e-01 Na+ 4.731e-01 3.089e-01 -0.325 -0.510 -0.185 1.37 NaSO4- 1.114e-02 7.017e-03 -1.953 -2.154 -0.201 9.87 NaHCO3 7.593e-04 1.022e-03 -3.120 -2.990 0.129 29.65 - NaOH 2.705e-16 3.139e-16 -15.568 -15.503 0.065 (0) -O(0) 1.312e-14 - O2 6.559e-15 7.611e-15 -14.183 -14.119 0.065 34.64 +O(0) 1.304e-14 + O2 6.520e-15 7.566e-15 -14.186 -14.121 0.065 34.64 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -83.058 -83.315 -0.258 20.46 - H2S 0.000e+00 0.000e+00 -83.797 -83.732 0.065 47.79 - S-2 0.000e+00 0.000e+00 -86.272 -87.122 -0.850 (0) - (H2S)2 0.000e+00 0.000e+00 -168.338 -168.274 0.065 21.36 + HS- 0.000e+00 0.000e+00 -83.052 -83.310 -0.258 20.46 + H2S 0.000e+00 0.000e+00 -83.792 -83.727 0.065 47.79 + S-2 0.000e+00 0.000e+00 -86.267 -87.117 -0.850 (0) + (H2S)2 0.000e+00 0.000e+00 -168.328 -168.263 0.065 21.36 S(6) 2.930e-02 MgSO4 1.245e-02 1.676e-02 -1.905 -1.776 0.129 2.87 NaSO4- 1.114e-02 7.017e-03 -1.953 -2.154 -0.201 9.87 @@ -1075,7 +1067,7 @@ S(6) 2.930e-02 Aragonite 0.19 -9.30 -9.50 CaCO3 Arcanite -6.15 -7.63 -1.48 K2SO4 Calcite 0.76 -9.30 -10.07 CaCO3 - CH4(g) -83.46 -86.43 -2.97 CH4 + CH4(g) -83.45 -86.42 -2.97 CH4 CO2(g) -1.69 -3.72 -2.03 CO2 Dolomite 2.48 -17.92 -20.40 CaMg(CO3)2 Epsomite -4.13 -5.28 -1.15 MgSO4:7H2O @@ -1088,7 +1080,7 @@ S(6) 2.930e-02 Kieserite -2.73 -5.23 -2.50 MgSO4:H2O Mirabilite -4.56 -4.27 0.29 Na2SO4:10H2O O2(g) -11.02 -14.12 -3.10 O2 - Sulfur -62.88 -59.68 3.20 S + Sulfur -62.87 -59.68 3.20 S Sylvite -3.98 -2.72 1.26 KCl Thenardite -3.31 -4.19 -0.88 Na2SO4 @@ -1116,10 +1108,10 @@ Using temperature 1. pH = 6.743 Charge balance pe = 4.718 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 140°C) = 167363 + Specific Conductance (µS/cm, 140°C) = 167360 Density (g/cm³) = 0.95261 Volume (L) = 1.08790 - Viscosity (mPa s) = 0.21724 + Viscosity (mPa s) = 0.21725 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.420e-01 Mass of water (kg) = 1.000e+00 @@ -1142,7 +1134,7 @@ Using temperature 1. H+ 2.563e-07 1.806e-07 -6.591 -6.743 -0.152 0.00 H2O 5.551e+01 9.807e-01 1.744 -0.008 0.000 19.45 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -83.618 -83.553 0.064 45.44 + CH4 0.000e+00 0.000e+00 -83.617 -83.553 0.064 45.44 C(4) 2.235e-03 NaHCO3 7.479e-04 1.005e-03 -3.126 -2.998 0.128 28.74 HCO3- 5.942e-04 3.638e-04 -3.226 -3.439 -0.213 22.15 @@ -1164,7 +1156,7 @@ Ca 1.070e-02 Cl 5.660e-01 Cl- 5.660e-01 3.149e-01 -0.247 -0.502 -0.255 14.42 HCl 5.126e-09 9.617e-09 -8.290 -8.017 0.273 (0) -H(0) 6.391e-27 +H(0) 6.392e-27 H2 3.196e-27 3.705e-27 -26.495 -26.431 0.064 28.56 K 1.060e-02 K+ 1.040e-02 5.706e-03 -1.983 -2.244 -0.261 11.41 @@ -1181,13 +1173,12 @@ Na 4.850e-01 Na+ 4.729e-01 3.003e-01 -0.325 -0.522 -0.197 1.61 NaSO4- 1.136e-02 6.994e-03 -1.945 -2.155 -0.211 8.40 NaHCO3 7.479e-04 1.005e-03 -3.126 -2.998 0.128 28.74 - NaOH 2.664e-16 3.089e-16 -15.574 -15.510 0.064 (0) -O(0) 3.045e-13 - O2 1.522e-13 1.765e-13 -12.817 -12.753 0.064 35.45 +O(0) 3.044e-13 + O2 1.522e-13 1.764e-13 -12.818 -12.753 0.064 35.45 S(-2) 0.000e+00 HS- 0.000e+00 0.000e+00 -80.048 -80.318 -0.270 19.10 H2S 0.000e+00 0.000e+00 -80.502 -80.438 0.064 49.41 - S-2 0.000e+00 0.000e+00 -83.132 -84.024 -0.892 (0) + S-2 0.000e+00 0.000e+00 -83.131 -84.023 -0.892 (0) (H2S)2 0.000e+00 0.000e+00 -161.753 -161.689 0.064 17.57 S(6) 2.930e-02 MgSO4 1.330e-02 1.787e-02 -1.876 -1.748 0.128 2.45 @@ -1248,10 +1239,10 @@ Using temperature 1. pH = 6.545 Charge balance pe = 4.912 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 160°C) = 181273 + Specific Conductance (µS/cm, 160°C) = 181269 Density (g/cm³) = 0.93477 Volume (L) = 1.10867 - Viscosity (mPa s) = 0.18847 + Viscosity (mPa s) = 0.18848 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.395e-01 Mass of water (kg) = 1.000e+00 @@ -1313,7 +1304,6 @@ Na 4.850e-01 Na+ 4.722e-01 2.906e-01 -0.326 -0.537 -0.211 1.86 NaSO4- 1.214e-02 7.286e-03 -1.916 -2.137 -0.222 6.14 NaHCO3 6.665e-04 8.948e-04 -3.176 -3.048 0.128 27.52 - NaOH 2.472e-16 2.864e-16 -15.607 -15.543 0.064 (0) O(0) 5.762e-10 O2 2.881e-10 3.338e-10 -9.540 -9.476 0.064 36.42 S(-2) 0.000e+00 @@ -1380,7 +1370,7 @@ Using temperature 1. pH = 6.363 Charge balance pe = 4.549 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 180°C) = 192880 + Specific Conductance (µS/cm, 180°C) = 192881 Density (g/cm³) = 0.91551 Volume (L) = 1.13200 Viscosity (mPa s) = 0.16631 @@ -1445,7 +1435,6 @@ Na 4.850e-01 Na+ 4.709e-01 2.797e-01 -0.327 -0.553 -0.226 2.17 NaSO4- 1.357e-02 7.909e-03 -1.867 -2.102 -0.234 2.79 NaHCO3 5.341e-04 7.168e-04 -3.272 -3.145 0.128 25.85 - NaOH 2.135e-16 2.474e-16 -15.671 -15.607 0.064 (0) O(0) 3.825e-09 O2 1.913e-09 2.216e-09 -8.718 -8.655 0.064 37.64 S(-2) 0.000e+00 @@ -1512,10 +1501,10 @@ Using temperature 1. pH = 6.190 Charge balance pe = 3.984 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 202448 + Specific Conductance (µS/cm, 200°C) = 202492 Density (g/cm³) = 0.89483 Volume (L) = 1.15815 - Viscosity (mPa s) = 0.14865 + Viscosity (mPa s) = 0.14860 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.397e-01 Mass of water (kg) = 1.000e+00 @@ -1577,7 +1566,6 @@ Na 4.850e-01 Na+ 4.689e-01 2.677e-01 -0.329 -0.572 -0.243 2.57 NaSO4- 1.569e-02 8.848e-03 -1.804 -2.053 -0.249 -2.11 NaHCO3 3.828e-04 5.139e-04 -3.417 -3.289 0.128 23.53 - NaOH 1.698e-16 1.968e-16 -15.770 -15.706 0.064 (0) O(0) 2.397e-09 O2 1.198e-09 1.389e-09 -8.921 -8.857 0.064 39.26 S(-2) 0.000e+00 @@ -1679,7 +1667,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 52865 Density (g/cm³) = 1.02327 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.705e-01 Mass of water (kg) = 1.000e+00 @@ -1738,7 +1726,6 @@ Na 4.850e-01 Na+ 4.708e-01 3.378e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.397e-02 9.480e-03 -1.855 -2.023 -0.168 8.22 NaHCO3 2.247e-04 3.059e-04 -3.648 -3.514 0.134 31.73 - NaOH 4.769e-17 5.565e-17 -16.322 -16.255 0.067 (0) O(0) 1.040e-37 O2 5.200e-38 6.068e-38 -37.284 -37.217 0.067 30.40 S(6) 2.930e-02 @@ -1840,7 +1827,7 @@ Reaction 1. H+ 8.264e-09 6.217e-09 -8.083 -8.206 -0.124 0.00 H2O 5.551e+01 9.789e-01 1.744 -0.009 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.247 -126.174 0.073 35.46 + CH4 0.000e+00 0.000e+00 -126.246 -126.173 0.073 35.46 C(4) 2.434e-03 HCO3- 1.644e-03 1.103e-03 -2.784 -2.957 -0.173 26.09 MgHCO3+ 3.248e-04 2.024e-04 -3.488 -3.694 -0.205 5.83 @@ -1862,8 +1849,8 @@ Ca 1.165e-02 Cl 6.165e-01 Cl- 6.165e-01 3.859e-01 -0.210 -0.414 -0.203 18.82 HCl 4.043e-10 8.265e-10 -9.393 -9.083 0.311 (0) -H(0) 4.295e-40 - H2 2.147e-40 2.540e-40 -39.668 -39.595 0.073 28.61 +H(0) 4.298e-40 + H2 2.149e-40 2.542e-40 -39.668 -39.595 0.073 28.61 K 1.155e-02 K+ 1.134e-02 7.010e-03 -1.945 -2.154 -0.209 9.70 KSO4- 2.025e-04 1.870e-04 -3.694 -3.728 -0.035 10.81 @@ -1879,14 +1866,13 @@ Na 5.283e-01 Na+ 5.124e-01 3.684e-01 -0.290 -0.434 -0.143 -0.47 NaSO4- 1.560e-02 1.051e-02 -1.807 -1.978 -0.171 8.96 NaHCO3 2.530e-04 3.540e-04 -3.597 -3.451 0.146 31.73 - NaOH 4.963e-17 5.871e-17 -16.304 -16.231 0.073 (0) -O(0) 1.047e-13 - O2 5.233e-14 6.190e-14 -13.281 -13.208 0.073 30.40 +O(0) 1.045e-13 + O2 5.226e-14 6.182e-14 -13.282 -13.209 0.073 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.836 -123.056 -0.220 21.38 - H2S 0.000e+00 0.000e+00 -124.394 -124.321 0.073 36.27 - S-2 0.000e+00 0.000e+00 -127.042 -127.768 -0.725 (0) - (H2S)2 0.000e+00 0.000e+00 -249.993 -249.920 0.073 30.09 + HS- 0.000e+00 0.000e+00 -122.835 -123.055 -0.220 21.38 + H2S 0.000e+00 0.000e+00 -124.393 -124.320 0.073 36.27 + S-2 0.000e+00 0.000e+00 -127.041 -127.766 -0.725 (0) + (H2S)2 0.000e+00 0.000e+00 -249.990 -249.917 0.073 30.09 S(6) 3.191e-02 NaSO4- 1.560e-02 1.051e-02 -1.807 -1.978 -0.171 8.96 SO4-2 9.959e-03 1.753e-03 -2.002 -2.756 -0.754 39.36 @@ -1910,7 +1896,7 @@ S(6) 3.191e-02 Dolomite 2.55 -14.53 -17.08 CaMg(CO3)2 Epsomite -2.89 -4.63 -1.74 MgSO4:7H2O Gypsum -0.76 -5.34 -4.58 CaSO4:2H2O - H2(g) -36.49 -39.60 -3.10 H2 + H2(g) -36.49 -39.59 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O H2S(g) -123.33 -131.26 -7.94 H2S Halite -2.42 -0.85 1.57 NaCl @@ -1918,7 +1904,7 @@ S(6) 3.191e-02 Kieserite -3.41 -4.57 -1.16 MgSO4:H2O Mirabilite -2.48 -3.72 -1.24 Na2SO4:10H2O O2(g) -10.32 -13.21 -2.89 O2 - Sulfur -92.76 -87.88 4.88 S + Sulfur -92.76 -87.87 4.88 S Sylvite -3.47 -2.57 0.90 KCl Thenardite -3.32 -3.62 -0.30 Na2SO4 @@ -1985,7 +1971,7 @@ Reaction 1. H+ 8.588e-09 6.438e-09 -8.066 -8.191 -0.125 0.00 H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.297 -126.216 0.080 35.46 + CH4 0.000e+00 0.000e+00 -126.295 -126.215 0.080 35.46 C(4) 2.673e-03 HCO3- 1.765e-03 1.176e-03 -2.753 -2.930 -0.176 26.21 MgHCO3+ 3.856e-04 2.379e-04 -3.414 -3.624 -0.210 5.84 @@ -2007,8 +1993,8 @@ Ca 1.280e-02 Cl 6.769e-01 Cl- 6.769e-01 4.201e-01 -0.170 -0.377 -0.207 18.85 HCl 4.252e-10 9.316e-10 -9.371 -9.031 0.341 (0) -H(0) 4.018e-40 - H2 2.009e-40 2.415e-40 -39.697 -39.617 0.080 28.61 +H(0) 4.022e-40 + H2 2.011e-40 2.418e-40 -39.697 -39.617 0.080 28.61 K 1.268e-02 K+ 1.245e-02 7.627e-03 -1.905 -2.118 -0.213 9.73 KSO4- 2.188e-04 2.069e-04 -3.660 -3.684 -0.024 10.11 @@ -2024,14 +2010,13 @@ Na 5.800e-01 Na+ 5.621e-01 4.055e-01 -0.250 -0.392 -0.142 -0.42 NaSO4- 1.759e-02 1.177e-02 -1.755 -1.929 -0.174 9.79 NaHCO3 2.872e-04 4.152e-04 -3.542 -3.382 0.160 31.73 - NaOH 5.180e-17 6.228e-17 -16.286 -16.206 0.080 (0) -O(0) 1.134e-13 - O2 5.672e-14 6.819e-14 -13.246 -13.166 0.080 30.40 +O(0) 1.132e-13 + O2 5.659e-14 6.805e-14 -13.247 -13.167 0.080 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.893 -123.118 -0.225 21.42 - H2S 0.000e+00 0.000e+00 -124.447 -124.367 0.080 36.27 - S-2 0.000e+00 0.000e+00 -127.105 -127.844 -0.739 (0) - (H2S)2 0.000e+00 0.000e+00 -250.093 -250.013 0.080 30.09 + HS- 0.000e+00 0.000e+00 -122.891 -123.116 -0.225 21.42 + H2S 0.000e+00 0.000e+00 -124.445 -124.365 0.080 36.27 + S-2 0.000e+00 0.000e+00 -127.103 -127.842 -0.739 (0) + (H2S)2 0.000e+00 0.000e+00 -250.089 -250.009 0.080 30.09 S(6) 3.504e-02 NaSO4- 1.759e-02 1.177e-02 -1.755 -1.929 -0.174 9.79 SO4-2 1.053e-02 1.783e-03 -1.978 -2.749 -0.771 40.44 @@ -2050,7 +2035,7 @@ S(6) 3.504e-02 Aragonite 0.74 -7.60 -8.34 CaCO3 Arcanite -5.10 -6.98 -1.88 K2SO4 Calcite 0.88 -7.60 -8.48 CaCO3 - CH4(g) -123.41 -126.22 -2.80 CH4 + CH4(g) -123.41 -126.21 -2.80 CH4 CO2(g) -3.29 -4.76 -1.47 CO2 Dolomite 2.66 -14.43 -17.08 CaMg(CO3)2 Epsomite -2.84 -4.58 -1.74 MgSO4:7H2O @@ -2104,11 +2089,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 8.174 Charge balance - pe = 10.095 Adjusted to redox equilibrium + pe = 10.094 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 67065 Density (g/cm³) = 1.03148 Volume (L) = 0.76655 - Viscosity (mPa s) = 0.98408 + Viscosity (mPa s) = 0.98409 Activity of water = 0.974 Ionic strength (mol/kgw) = 8.863e-01 Mass of water (kg) = 7.543e-01 @@ -2130,7 +2115,7 @@ Reaction 1. H+ 8.966e-09 6.694e-09 -8.047 -8.174 -0.127 0.00 H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.539 -126.450 0.089 35.46 + CH4 0.000e+00 0.000e+00 -126.537 -126.449 0.089 35.46 C(4) 2.963e-03 HCO3- 1.904e-03 1.258e-03 -2.720 -2.900 -0.180 26.36 MgHCO3+ 4.668e-04 2.848e-04 -3.331 -3.545 -0.215 5.84 @@ -2152,8 +2137,8 @@ Ca 1.418e-02 Cl 7.503e-01 Cl- 7.503e-01 4.614e-01 -0.125 -0.336 -0.211 18.89 HCl 4.464e-10 1.064e-09 -9.350 -8.973 0.377 (0) -H(0) 3.346e-40 - H2 1.673e-40 2.052e-40 -39.777 -39.688 0.089 28.61 +H(0) 3.349e-40 + H2 1.674e-40 2.053e-40 -39.776 -39.688 0.089 28.61 K 1.405e-02 K+ 1.381e-02 8.374e-03 -1.860 -2.077 -0.217 9.78 KSO4- 2.372e-04 2.310e-04 -3.625 -3.636 -0.011 9.18 @@ -2169,14 +2154,13 @@ Na 6.430e-01 Na+ 6.226e-01 4.514e-01 -0.206 -0.345 -0.140 -0.37 NaSO4- 2.006e-02 1.332e-02 -1.698 -1.875 -0.178 10.72 NaHCO3 3.289e-04 4.947e-04 -3.483 -3.306 0.177 31.73 - NaOH 5.423e-17 6.650e-17 -16.266 -16.177 0.089 (0) -O(0) 1.533e-13 - O2 7.667e-14 9.403e-14 -13.115 -13.027 0.089 30.40 +O(0) 1.531e-13 + O2 7.654e-14 9.386e-14 -13.116 -13.028 0.089 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.142 -123.372 -0.231 21.46 - H2S 0.000e+00 0.000e+00 -124.694 -124.605 0.089 36.27 - S-2 0.000e+00 0.000e+00 -127.362 -128.116 -0.754 (0) - (H2S)2 0.000e+00 0.000e+00 -250.577 -250.488 0.089 30.09 + HS- 0.000e+00 0.000e+00 -123.140 -123.371 -0.231 21.46 + H2S 0.000e+00 0.000e+00 -124.692 -124.603 0.089 36.27 + S-2 0.000e+00 0.000e+00 -127.360 -128.115 -0.754 (0) + (H2S)2 0.000e+00 0.000e+00 -250.574 -250.485 0.089 30.09 S(6) 3.884e-02 NaSO4- 2.006e-02 1.332e-02 -1.698 -1.875 -0.178 10.72 SO4-2 1.117e-02 1.813e-03 -1.952 -2.742 -0.790 41.69 @@ -2207,7 +2191,7 @@ S(6) 3.884e-02 Hexahydrite -2.96 -4.52 -1.57 MgSO4:6H2O Kieserite -3.30 -4.47 -1.16 MgSO4:H2O Mirabilite -2.31 -3.55 -1.24 Na2SO4:10H2O - O2(g) -10.13 -13.03 -2.89 O2 + O2(g) -10.14 -13.03 -2.89 O2 Sulfur -92.95 -88.07 4.88 S Sylvite -3.31 -2.41 0.90 KCl Thenardite -3.13 -3.43 -0.30 Na2SO4 @@ -2275,7 +2259,7 @@ Reaction 1. H+ 9.414e-09 6.998e-09 -8.026 -8.155 -0.129 0.00 H2O 5.551e+01 9.713e-01 1.744 -0.013 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.793 -126.694 0.099 35.46 + CH4 0.000e+00 0.000e+00 -126.791 -126.692 0.099 35.46 C(4) 3.324e-03 HCO3- 2.066e-03 1.353e-03 -2.685 -2.869 -0.184 26.54 MgHCO3+ 5.793e-04 3.490e-04 -3.237 -3.457 -0.220 5.85 @@ -2297,8 +2281,8 @@ Ca 1.591e-02 Cl 8.417e-01 Cl- 8.417e-01 5.126e-01 -0.075 -0.290 -0.215 18.94 HCl 4.669e-10 1.236e-09 -9.331 -8.908 0.423 (0) -H(0) 2.749e-40 - H2 1.375e-40 1.728e-40 -39.862 -39.763 0.099 28.61 +H(0) 2.752e-40 + H2 1.376e-40 1.730e-40 -39.861 -39.762 0.099 28.61 K 1.576e-02 K+ 1.550e-02 9.298e-03 -1.810 -2.032 -0.222 9.84 KSO4- 2.577e-04 2.607e-04 -3.589 -3.584 0.005 7.90 @@ -2314,14 +2298,13 @@ Na 7.213e-01 Na+ 6.976e-01 5.099e-01 -0.156 -0.293 -0.136 -0.31 NaSO4- 2.323e-02 1.529e-02 -1.634 -1.815 -0.181 11.78 NaHCO3 3.804e-04 6.010e-04 -3.420 -3.221 0.199 31.73 - NaOH 5.699e-17 7.163e-17 -16.244 -16.145 0.099 (0) -O(0) 2.096e-13 - O2 1.048e-13 1.317e-13 -12.980 -12.880 0.099 30.40 +O(0) 2.091e-13 + O2 1.046e-13 1.314e-13 -12.981 -12.881 0.099 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.402 -123.639 -0.237 21.51 - H2S 0.000e+00 0.000e+00 -124.952 -124.852 0.099 36.27 - S-2 0.000e+00 0.000e+00 -127.631 -128.402 -0.771 (0) - (H2S)2 0.000e+00 0.000e+00 -251.082 -250.983 0.099 30.09 + HS- 0.000e+00 0.000e+00 -123.400 -123.637 -0.237 21.51 + H2S 0.000e+00 0.000e+00 -124.950 -124.850 0.099 36.27 + S-2 0.000e+00 0.000e+00 -127.629 -128.400 -0.771 (0) + (H2S)2 0.000e+00 0.000e+00 -251.078 -250.979 0.099 30.09 S(6) 4.357e-02 NaSO4- 2.323e-02 1.529e-02 -1.634 -1.815 -0.181 11.78 SO4-2 1.192e-02 1.843e-03 -1.924 -2.735 -0.811 43.14 @@ -2394,11 +2377,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 8.133 Charge balance - pe = 10.137 Adjusted to redox equilibrium + pe = 10.136 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 81937 Density (g/cm³) = 1.04058 Volume (L) = 0.60245 - Viscosity (mPa s) = 1.01199 + Viscosity (mPa s) = 1.01200 Activity of water = 0.967 Ionic strength (mol/kgw) = 1.129e+00 Mass of water (kg) = 5.905e-01 @@ -2420,7 +2403,7 @@ Reaction 1. H+ 9.953e-09 7.363e-09 -8.002 -8.133 -0.131 0.00 H2O 5.551e+01 9.673e-01 1.744 -0.014 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.452 -126.339 0.113 35.46 + CH4 0.000e+00 0.000e+00 -126.449 -126.336 0.113 35.46 C(4) 3.785e-03 HCO3- 2.255e-03 1.463e-03 -2.647 -2.835 -0.188 26.77 MgHCO3+ 7.419e-04 4.407e-04 -3.130 -3.356 -0.226 5.87 @@ -2442,8 +2425,8 @@ Ca 1.812e-02 Cl 9.584e-01 Cl- 9.584e-01 5.777e-01 -0.018 -0.238 -0.220 19.00 HCl 4.844e-10 1.465e-09 -9.315 -8.834 0.481 (0) -H(0) 3.154e-40 - H2 1.577e-40 2.046e-40 -39.802 -39.689 0.113 28.61 +H(0) 3.160e-40 + H2 1.580e-40 2.049e-40 -39.801 -39.688 0.113 28.61 K 1.795e-02 K+ 1.766e-02 1.047e-02 -1.753 -1.980 -0.227 9.91 KSO4- 2.802e-04 2.979e-04 -3.553 -3.526 0.027 6.07 @@ -2459,14 +2442,13 @@ Na 8.213e-01 Na+ 7.934e-01 5.869e-01 -0.100 -0.231 -0.131 -0.24 NaSO4- 2.739e-02 1.786e-02 -1.562 -1.748 -0.186 13.02 NaHCO3 4.445e-04 7.478e-04 -3.352 -3.126 0.226 31.73 - NaOH 6.016e-17 7.803e-17 -16.221 -16.108 0.113 (0) -O(0) 1.437e-13 - O2 7.187e-14 9.321e-14 -13.143 -13.031 0.113 30.40 +O(0) 1.433e-13 + O2 7.163e-14 9.290e-14 -13.145 -13.032 0.113 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.066 -123.310 -0.244 21.58 - H2S 0.000e+00 0.000e+00 -124.614 -124.501 0.113 36.27 - S-2 0.000e+00 0.000e+00 -127.305 -128.095 -0.790 (0) - (H2S)2 0.000e+00 0.000e+00 -250.394 -250.281 0.113 30.09 + HS- 0.000e+00 0.000e+00 -123.063 -123.307 -0.244 21.58 + H2S 0.000e+00 0.000e+00 -124.611 -124.498 0.113 36.27 + S-2 0.000e+00 0.000e+00 -127.303 -128.092 -0.790 (0) + (H2S)2 0.000e+00 0.000e+00 -250.388 -250.275 0.113 30.09 S(6) 4.962e-02 NaSO4- 2.739e-02 1.786e-02 -1.562 -1.748 -0.186 13.02 SO4-2 1.278e-02 1.870e-03 -1.893 -2.728 -0.835 44.88 @@ -2485,14 +2467,14 @@ S(6) 4.962e-02 Aragonite 0.93 -7.40 -8.34 CaCO3 Arcanite -4.81 -6.69 -1.88 K2SO4 Calcite 1.08 -7.40 -8.48 CaCO3 - CH4(g) -123.54 -126.34 -2.80 CH4 + CH4(g) -123.53 -126.34 -2.80 CH4 CO2(g) -3.13 -4.60 -1.47 CO2 Dolomite 3.06 -14.02 -17.08 CaMg(CO3)2 Epsomite -2.68 -4.42 -1.74 MgSO4:7H2O Gypsum -0.55 -5.13 -4.58 CaSO4:2H2O H2(g) -36.59 -39.69 -3.10 H2 H2O(g) -1.52 -0.01 1.50 H2O - H2S(g) -123.51 -131.44 -7.94 H2S + H2S(g) -123.50 -131.44 -7.94 H2S Halite -2.04 -0.47 1.57 NaCl Hexahydrite -2.84 -4.40 -1.57 MgSO4:6H2O Kieserite -3.17 -4.33 -1.16 MgSO4:H2O @@ -2539,11 +2521,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 8.107 Charge balance - pe = 10.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 92241 + pe = 10.137 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 92240 Density (g/cm³) = 1.04723 Volume (L) = 0.52043 - Viscosity (mPa s) = 1.03345 + Viscosity (mPa s) = 1.03346 Activity of water = 0.962 Ionic strength (mol/kgw) = 1.309e+00 Mass of water (kg) = 5.087e-01 @@ -2565,7 +2547,7 @@ Reaction 1. H+ 1.061e-08 7.811e-09 -7.974 -8.107 -0.133 0.00 H2O 5.551e+01 9.620e-01 1.744 -0.017 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.203 -126.072 0.131 35.46 + CH4 0.000e+00 0.000e+00 -126.202 -126.071 0.131 35.46 C(4) 4.394e-03 HCO3- 2.475e-03 1.589e-03 -2.606 -2.799 -0.193 27.07 MgHCO3+ 9.902e-04 5.789e-04 -3.004 -3.237 -0.233 5.88 @@ -2587,8 +2569,8 @@ Ca 2.104e-02 Cl 1.113e+00 Cl- 1.113e+00 6.635e-01 0.046 -0.178 -0.225 19.07 HCl 4.948e-10 1.785e-09 -9.306 -8.748 0.557 (0) -H(0) 3.392e-40 - H2 1.696e-40 2.293e-40 -39.771 -39.640 0.131 28.61 +H(0) 3.395e-40 + H2 1.698e-40 2.295e-40 -39.770 -39.639 0.131 28.61 K 2.084e-02 K+ 2.053e-02 1.202e-02 -1.688 -1.920 -0.232 10.00 KSO4- 3.040e-04 3.460e-04 -3.517 -3.461 0.056 3.33 @@ -2604,14 +2586,13 @@ Na 9.535e-01 Na+ 9.199e-01 6.930e-01 -0.036 -0.159 -0.123 -0.15 NaSO4- 3.308e-02 2.134e-02 -1.480 -1.671 -0.190 14.50 NaHCO3 5.247e-04 9.589e-04 -3.280 -3.018 0.262 31.73 - NaOH 6.390e-17 8.639e-17 -16.194 -16.064 0.131 (0) -O(0) 1.086e-13 - O2 5.430e-14 7.341e-14 -13.265 -13.134 0.131 30.40 +O(0) 1.084e-13 + O2 5.419e-14 7.325e-14 -13.266 -13.135 0.131 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.820 -123.072 -0.252 21.65 - H2S 0.000e+00 0.000e+00 -124.368 -124.237 0.131 36.27 - S-2 0.000e+00 0.000e+00 -127.072 -127.883 -0.811 (0) - (H2S)2 0.000e+00 0.000e+00 -249.884 -249.753 0.131 30.09 + HS- 0.000e+00 0.000e+00 -122.818 -123.070 -0.252 21.65 + H2S 0.000e+00 0.000e+00 -124.367 -124.236 0.131 36.27 + S-2 0.000e+00 0.000e+00 -127.070 -127.881 -0.811 (0) + (H2S)2 0.000e+00 0.000e+00 -249.880 -249.750 0.131 30.09 S(6) 5.760e-02 NaSO4- 3.308e-02 2.134e-02 -1.480 -1.671 -0.190 14.50 SO4-2 1.380e-02 1.892e-03 -1.860 -2.723 -0.863 47.02 @@ -2642,7 +2623,7 @@ S(6) 5.760e-02 Hexahydrite -2.76 -4.33 -1.57 MgSO4:6H2O Kieserite -3.09 -4.25 -1.16 MgSO4:H2O Mirabilite -1.97 -3.21 -1.24 Na2SO4:10H2O - O2(g) -10.24 -13.13 -2.89 O2 + O2(g) -10.24 -13.14 -2.89 O2 Sulfur -92.63 -87.75 4.88 S Sylvite -3.00 -2.10 0.90 KCl Thenardite -2.74 -3.04 -0.30 Na2SO4 @@ -2685,7 +2666,7 @@ Reaction 1. pH = 8.077 Charge balance pe = 10.256 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 105554 + Specific Conductance (µS/cm, 25°C) = 105553 Density (g/cm³) = 1.05629 Volume (L) = 0.43843 Viscosity (mPa s) = 1.06429 @@ -2710,7 +2691,7 @@ Reaction 1. H+ 1.144e-08 8.371e-09 -7.941 -8.077 -0.136 0.00 H2O 5.551e+01 9.548e-01 1.744 -0.020 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.862 -126.706 0.156 35.46 + CH4 0.000e+00 0.000e+00 -126.857 -126.702 0.156 35.46 C(4) 5.237e-03 HCO3- 2.727e-03 1.729e-03 -2.564 -2.762 -0.198 27.48 MgHCO3+ 1.399e-03 8.027e-04 -2.854 -3.095 -0.241 5.89 @@ -2732,8 +2713,8 @@ Ca 2.507e-02 Cl 1.326e+00 Cl- 1.326e+00 7.821e-01 0.123 -0.107 -0.229 19.15 HCl 4.898e-10 2.255e-09 -9.310 -8.647 0.663 (0) -H(0) 2.128e-40 - H2 1.064e-40 1.523e-40 -39.973 -39.817 0.156 28.61 +H(0) 2.134e-40 + H2 1.067e-40 1.527e-40 -39.972 -39.816 0.156 28.61 K 2.484e-02 K+ 2.450e-02 1.416e-02 -1.611 -1.849 -0.238 10.12 KSO4- 3.272e-04 4.100e-04 -3.485 -3.387 0.098 -1.08 @@ -2749,14 +2730,13 @@ Na 1.136e+00 Na+ 1.095e+00 8.489e-01 0.039 -0.071 -0.110 -0.04 NaSO4- 4.125e-02 2.629e-02 -1.385 -1.580 -0.196 16.29 NaHCO3 6.236e-04 1.278e-03 -3.205 -2.893 0.312 31.73 - NaOH 6.846e-17 9.800e-17 -16.165 -16.009 0.156 (0) -O(0) 2.288e-13 - O2 1.144e-13 1.638e-13 -12.942 -12.786 0.156 30.40 +O(0) 2.276e-13 + O2 1.138e-13 1.629e-13 -12.944 -12.788 0.156 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.475 -123.736 -0.261 21.75 - H2S 0.000e+00 0.000e+00 -125.028 -124.872 0.156 36.27 - S-2 0.000e+00 0.000e+00 -127.742 -128.577 -0.835 (0) - (H2S)2 0.000e+00 0.000e+00 -251.178 -251.022 0.156 30.09 + HS- 0.000e+00 0.000e+00 -123.470 -123.732 -0.261 21.75 + H2S 0.000e+00 0.000e+00 -125.023 -124.867 0.156 36.27 + S-2 0.000e+00 0.000e+00 -127.738 -128.573 -0.835 (0) + (H2S)2 0.000e+00 0.000e+00 -251.169 -251.013 0.156 30.09 S(6) 6.866e-02 NaSO4- 4.125e-02 2.629e-02 -1.385 -1.580 -0.196 16.29 SO4-2 1.502e-02 1.903e-03 -1.823 -2.721 -0.897 49.72 @@ -2775,20 +2755,20 @@ S(6) 6.866e-02 Aragonite 1.11 -7.22 -8.34 CaCO3 Arcanite -4.54 -6.42 -1.88 K2SO4 Calcite 1.26 -7.22 -8.48 CaCO3 - CH4(g) -123.90 -126.71 -2.80 CH4 + CH4(g) -123.90 -126.70 -2.80 CH4 CO2(g) -3.00 -4.47 -1.47 CO2 Dolomite 3.45 -13.64 -17.08 CaMg(CO3)2 Epsomite -2.52 -4.26 -1.74 MgSO4:7H2O Gypsum -0.39 -4.97 -4.58 CaSO4:2H2O H2(g) -36.72 -39.82 -3.10 H2 H2O(g) -1.52 -0.02 1.50 H2O - H2S(g) -123.88 -131.81 -7.94 H2S + H2S(g) -123.87 -131.81 -7.94 H2S Halite -1.75 -0.18 1.57 NaCl Hexahydrite -2.68 -4.24 -1.57 MgSO4:6H2O Kieserite -2.98 -4.14 -1.16 MgSO4:H2O Mirabilite -1.82 -3.06 -1.24 Na2SO4:10H2O - O2(g) -9.89 -12.79 -2.89 O2 - Sulfur -93.09 -88.20 4.88 S + O2(g) -9.90 -12.79 -2.89 O2 + Sulfur -93.08 -88.20 4.88 S Sylvite -2.86 -1.96 0.90 KCl Thenardite -2.56 -2.86 -0.30 Na2SO4 @@ -2829,11 +2809,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 8.042 Charge balance - pe = 10.219 Adjusted to redox equilibrium + pe = 10.218 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 123322 Density (g/cm³) = 1.06938 Volume (L) = 0.35649 - Viscosity (mPa s) = 1.11232 + Viscosity (mPa s) = 1.11233 Activity of water = 0.944 Ionic strength (mol/kgw) = 1.925e+00 Mass of water (kg) = 3.449e-01 @@ -2855,7 +2835,7 @@ Reaction 1. H+ 1.248e-08 9.071e-09 -7.904 -8.042 -0.139 0.00 H2O 5.551e+01 9.441e-01 1.744 -0.025 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.234 -126.041 0.192 35.46 + CH4 0.000e+00 0.000e+00 -126.231 -126.039 0.192 35.46 C(4) 6.481e-03 HCO3- 2.991e-03 1.868e-03 -2.524 -2.729 -0.204 28.09 MgHCO3+ 2.141e-03 1.202e-03 -2.669 -2.920 -0.251 5.91 @@ -2877,8 +2857,8 @@ Ca 3.103e-02 Cl 1.641e+00 Cl- 1.641e+00 9.579e-01 0.215 -0.019 -0.234 19.27 HCl 4.539e-10 2.993e-09 -9.343 -8.524 0.819 (0) -H(0) 2.734e-40 - H2 1.367e-40 2.129e-40 -39.864 -39.672 0.192 28.61 +H(0) 2.738e-40 + H2 1.369e-40 2.132e-40 -39.864 -39.671 0.192 28.61 K 3.074e-02 K+ 3.038e-02 1.733e-02 -1.517 -1.761 -0.244 10.30 KSO4- 3.438e-04 4.983e-04 -3.464 -3.302 0.161 -8.85 @@ -2894,14 +2874,13 @@ Na 1.406e+00 Na+ 1.352e+00 1.100e+00 0.131 0.041 -0.090 0.11 NaSO4- 5.384e-02 3.383e-02 -1.269 -1.471 -0.202 18.57 NaHCO3 7.374e-04 1.789e-03 -3.132 -2.747 0.385 31.73 - NaOH 7.437e-17 1.158e-16 -16.129 -15.936 0.192 (0) -O(0) 1.052e-13 - O2 5.262e-14 8.197e-14 -13.279 -13.086 0.192 30.40 +O(0) 1.049e-13 + O2 5.247e-14 8.174e-14 -13.280 -13.088 0.192 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -122.831 -123.103 -0.273 21.88 - H2S 0.000e+00 0.000e+00 -124.396 -124.204 0.192 36.27 - S-2 0.000e+00 0.000e+00 -127.116 -127.979 -0.863 (0) - (H2S)2 0.000e+00 0.000e+00 -249.878 -249.686 0.192 30.09 + HS- 0.000e+00 0.000e+00 -122.828 -123.101 -0.273 21.88 + H2S 0.000e+00 0.000e+00 -124.394 -124.201 0.192 36.27 + S-2 0.000e+00 0.000e+00 -127.113 -127.976 -0.863 (0) + (H2S)2 0.000e+00 0.000e+00 -249.874 -249.681 0.192 30.09 S(6) 8.496e-02 NaSO4- 5.384e-02 3.383e-02 -1.269 -1.471 -0.202 18.57 SO4-2 1.647e-02 1.890e-03 -1.783 -2.724 -0.940 53.30 @@ -2927,12 +2906,12 @@ S(6) 8.496e-02 Gypsum -0.27 -4.86 -4.58 CaSO4:2H2O H2(g) -36.57 -39.67 -3.10 H2 H2O(g) -1.53 -0.02 1.50 H2O - H2S(g) -123.21 -131.15 -7.94 H2S + H2S(g) -123.21 -131.14 -7.94 H2S Halite -1.55 0.02 1.57 NaCl Hexahydrite -2.57 -4.13 -1.57 MgSO4:6H2O Kieserite -2.85 -4.01 -1.16 MgSO4:H2O Mirabilite -1.65 -2.89 -1.24 Na2SO4:10H2O - O2(g) -10.19 -13.09 -2.89 O2 + O2(g) -10.20 -13.09 -2.89 O2 Sulfur -92.56 -87.68 4.88 S Sylvite -2.68 -1.78 0.90 KCl Thenardite -2.34 -2.64 -0.30 Na2SO4 @@ -2975,10 +2954,10 @@ Reaction 1. pH = 8.005 Charge balance pe = 10.309 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 147830 + Specific Conductance (µS/cm, 25°C) = 147829 Density (g/cm³) = 1.08996 Volume (L) = 0.27463 - Viscosity (mPa s) = 1.19725 + Viscosity (mPa s) = 1.19726 Activity of water = 0.927 Ionic strength (mol/kgw) = 2.518e+00 Mass of water (kg) = 2.630e-01 @@ -3000,7 +2979,7 @@ Reaction 1. H+ 1.371e-08 9.885e-09 -7.863 -8.005 -0.142 0.00 H2O 5.551e+01 9.268e-01 1.744 -0.033 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -126.639 -126.387 0.252 35.46 + CH4 0.000e+00 0.000e+00 -126.638 -126.386 0.252 35.46 C(4) 8.499e-03 MgHCO3+ 3.689e-03 2.017e-03 -2.433 -2.695 -0.262 5.93 HCO3- 3.168e-03 1.944e-03 -2.499 -2.711 -0.212 29.09 @@ -3023,7 +3002,7 @@ Cl 2.152e+00 Cl- 2.152e+00 1.247e+00 0.333 0.096 -0.237 19.43 HCl 3.599e-10 4.246e-09 -9.444 -8.372 1.072 (0) H(0) 0.000e+00 - H2 0.000e+00 1.667e-40 -40.030 -39.778 0.252 28.61 + H2 0.000e+00 1.668e-40 -40.030 -39.778 0.252 28.61 K 4.031e-02 K+ 3.995e-02 2.253e-02 -1.398 -1.647 -0.249 10.58 KSO4- 3.388e-04 6.256e-04 -3.470 -3.204 0.266 -24.59 @@ -3039,14 +3018,13 @@ Na 1.844e+00 Na+ 1.768e+00 1.567e+00 0.247 0.195 -0.052 0.33 NaSO4- 7.539e-02 4.656e-02 -1.123 -1.332 -0.209 21.64 NaHCO3 8.320e-04 2.653e-03 -3.080 -2.576 0.504 31.73 - NaOH 8.328e-17 1.487e-16 -16.079 -15.828 0.252 (0) -O(0) 1.443e-13 - O2 7.215e-14 1.288e-13 -13.142 -12.890 0.252 30.40 +O(0) 1.440e-13 + O2 7.202e-14 1.286e-13 -13.143 -12.891 0.252 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.187 -123.474 -0.287 22.07 - H2S 0.000e+00 0.000e+00 -124.789 -124.537 0.252 36.27 - S-2 0.000e+00 0.000e+00 -127.489 -128.387 -0.898 (0) - (H2S)2 0.000e+00 0.000e+00 -250.605 -250.353 0.252 30.09 + HS- 0.000e+00 0.000e+00 -123.186 -123.472 -0.287 22.07 + H2S 0.000e+00 0.000e+00 -124.788 -124.536 0.252 36.27 + S-2 0.000e+00 0.000e+00 -127.488 -128.385 -0.898 (0) + (H2S)2 0.000e+00 0.000e+00 -250.601 -250.350 0.252 30.09 S(6) 1.114e-01 NaSO4- 7.539e-02 4.656e-02 -1.123 -1.332 -0.209 21.64 SO4-2 1.818e-02 1.825e-03 -1.740 -2.739 -0.998 58.39 @@ -3065,7 +3043,7 @@ S(6) 1.114e-01 Aragonite 1.40 -6.94 -8.34 CaCO3 Arcanite -4.15 -6.03 -1.88 K2SO4 Calcite 1.54 -6.94 -8.48 CaCO3 - CH4(g) -123.59 -126.39 -2.80 CH4 + CH4(g) -123.58 -126.39 -2.80 CH4 CO2(g) -2.86 -4.33 -1.47 CO2 Dolomite 4.06 -13.02 -17.08 CaMg(CO3)2 Epsomite -2.28 -4.02 -1.74 MgSO4:7H2O @@ -3123,7 +3101,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 181619 Density (g/cm³) = 1.12706 Volume (L) = 0.19293 - Viscosity (mPa s) = 1.38628 + Viscosity (mPa s) = 1.38629 Activity of water = 0.894 Ionic strength (mol/kgw) = 3.647e+00 Mass of water (kg) = 1.811e-01 @@ -3145,7 +3123,7 @@ Reaction 1. H+ 1.455e-08 1.038e-08 -7.837 -7.984 -0.147 0.00 H2O 5.551e+01 8.938e-01 1.744 -0.049 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -127.121 -126.756 0.365 35.46 + CH4 0.000e+00 0.000e+00 -127.119 -126.754 0.365 35.46 C(4) 1.234e-02 MgHCO3+ 7.570e-03 3.995e-03 -2.121 -2.398 -0.278 5.96 HCO3- 2.861e-03 1.716e-03 -2.544 -2.766 -0.222 30.99 @@ -3168,7 +3146,7 @@ Cl 3.126e+00 Cl- 3.126e+00 1.819e+00 0.495 0.260 -0.235 19.69 HCl 1.823e-10 6.503e-09 -9.739 -8.187 1.552 (0) H(0) 0.000e+00 - H2 0.000e+00 1.337e-40 -40.239 -39.874 0.365 28.61 + H2 0.000e+00 1.339e-40 -40.238 -39.873 0.365 28.61 K 5.853e-02 K+ 5.824e-02 3.274e-02 -1.235 -1.485 -0.250 11.09 KSO4- 2.748e-04 8.130e-04 -3.561 -3.090 0.471 -65.06 @@ -3184,14 +3162,13 @@ Na 2.678e+00 Na+ 2.558e+00 2.713e+00 0.408 0.433 0.025 0.67 NaSO4- 1.193e-01 7.206e-02 -0.923 -1.142 -0.219 26.19 NaHCO3 7.557e-04 4.054e-03 -3.122 -2.392 0.729 31.73 - NaOH 1.021e-16 2.364e-16 -15.991 -15.626 0.365 (0) -O(0) 1.609e-13 - O2 8.044e-14 1.863e-13 -13.095 -12.730 0.365 30.40 +O(0) 1.605e-13 + O2 8.024e-14 1.858e-13 -13.096 -12.731 0.365 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -123.517 -123.822 -0.305 22.38 - H2S 0.000e+00 0.000e+00 -125.228 -124.864 0.365 36.27 - S-2 0.000e+00 0.000e+00 -127.814 -128.756 -0.942 (0) - (H2S)2 0.000e+00 0.000e+00 -251.370 -251.006 0.365 30.09 + HS- 0.000e+00 0.000e+00 -123.515 -123.819 -0.305 22.38 + H2S 0.000e+00 0.000e+00 -125.226 -124.861 0.365 36.27 + S-2 0.000e+00 0.000e+00 -127.812 -128.754 -0.942 (0) + (H2S)2 0.000e+00 0.000e+00 -251.366 -251.001 0.365 30.09 S(6) 1.618e-01 NaSO4- 1.193e-01 7.206e-02 -0.923 -1.142 -0.219 26.19 SO4-2 1.997e-02 1.632e-03 -1.700 -2.787 -1.088 66.51 @@ -3210,14 +3187,14 @@ S(6) 1.618e-01 Aragonite 1.63 -6.71 -8.34 CaCO3 Arcanite -3.88 -5.76 -1.88 K2SO4 Calcite 1.77 -6.71 -8.48 CaCO3 - CH4(g) -123.95 -126.76 -2.80 CH4 + CH4(g) -123.95 -126.75 -2.80 CH4 CO2(g) -2.88 -4.35 -1.47 CO2 Dolomite 4.57 -12.52 -17.08 CaMg(CO3)2 Epsomite -2.09 -3.83 -1.74 MgSO4:7H2O Gypsum 0.10 -4.48 -4.58 CaSO4:2H2O H2(g) -36.77 -39.87 -3.10 H2 H2O(g) -1.55 -0.05 1.50 H2O - H2S(g) -123.87 -131.81 -7.94 H2S + H2S(g) -123.87 -131.80 -7.94 H2S Halite -0.88 0.69 1.57 NaCl Hexahydrite -2.21 -3.78 -1.57 MgSO4:6H2O Kieserite -2.38 -3.54 -1.16 MgSO4:H2O @@ -3268,7 +3245,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 211395 Density (g/cm³) = 1.21363 Volume (L) = 0.11169 - Viscosity (mPa s) = 2.12059 + Viscosity (mPa s) = 2.12060 Activity of water = 0.806 Ionic strength (mol/kgw) = 6.640e+00 Mass of water (kg) = 9.920e-02 @@ -3290,7 +3267,7 @@ Reaction 1. H+ 1.348e-08 9.491e-09 -7.870 -8.023 -0.152 0.00 H2O 5.551e+01 8.064e-01 1.744 -0.093 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -128.529 -127.865 0.664 35.46 + CH4 0.000e+00 0.000e+00 -128.525 -127.861 0.664 35.46 C(4) 2.253e-02 MgHCO3+ 1.961e-02 9.834e-03 -1.708 -2.007 -0.300 6.00 HCO3- 1.125e-03 6.534e-04 -2.949 -3.185 -0.236 36.20 @@ -3313,7 +3290,7 @@ Cl 5.706e+00 Cl- 5.706e+00 3.520e+00 0.756 0.546 -0.210 20.19 HCl 1.717e-11 1.151e-08 -10.765 -7.939 2.826 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.734 -40.070 0.664 28.61 + H2 0.000e+00 0.000e+00 -40.733 -40.069 0.664 28.61 K 1.069e-01 K+ 1.067e-01 6.256e-02 -0.972 -1.204 -0.232 12.40 KSO4- 9.625e-05 1.021e-03 -4.017 -2.991 1.026 -236.74 @@ -3329,14 +3306,13 @@ Na 4.889e+00 Na+ 4.643e+00 8.245e+00 0.667 0.916 0.249 1.39 NaSO4- 2.459e-01 1.440e-01 -0.609 -0.842 -0.232 34.42 NaHCO3 2.204e-04 4.692e-03 -3.657 -2.329 1.328 31.73 - NaOH 1.537e-16 7.091e-16 -15.813 -15.149 0.664 (0) -O(0) 1.622e-13 - O2 8.109e-14 3.741e-13 -13.091 -12.427 0.664 30.40 +O(0) 1.614e-13 + O2 8.070e-14 3.723e-13 -13.093 -12.429 0.664 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -124.316 -124.648 -0.332 23.00 - H2S 0.000e+00 0.000e+00 -126.393 -125.729 0.664 36.27 - S-2 0.000e+00 0.000e+00 -128.539 -129.543 -1.005 (0) - (H2S)2 0.000e+00 0.000e+00 -253.401 -252.737 0.664 30.09 + HS- 0.000e+00 0.000e+00 -124.312 -124.644 -0.332 23.00 + H2S 0.000e+00 0.000e+00 -126.389 -125.725 0.664 36.27 + S-2 0.000e+00 0.000e+00 -128.534 -129.539 -1.005 (0) + (H2S)2 0.000e+00 0.000e+00 -253.392 -252.728 0.664 30.09 S(6) 2.954e-01 NaSO4- 2.459e-01 1.440e-01 -0.609 -0.842 -0.232 34.42 SO4-2 2.000e-02 1.073e-03 -1.699 -2.969 -1.270 82.93 @@ -3367,7 +3343,7 @@ S(6) 2.954e-01 Hexahydrite -1.85 -3.42 -1.57 MgSO4:6H2O Kieserite -1.79 -2.95 -1.16 MgSO4:H2O Mirabilite -0.83 -2.07 -1.24 Na2SO4:10H2O - O2(g) -9.53 -12.43 -2.89 O2 + O2(g) -9.54 -12.43 -2.89 O2 Sulfur -93.69 -88.81 4.88 S Sylvite -1.56 -0.66 0.90 KCl Thenardite -0.84 -1.14 -0.30 Na2SO4 diff --git a/mytest/seaw_0_200C_101.sel b/mytest/seaw_0_200C_101.sel index 36c59a6f1..d03e2dc7e 100644 --- a/mytest/seaw_0_200C_101.sel +++ b/mytest/seaw_0_200C_101.sel @@ -1,25 +1,25 @@ Mu SC Viscosity - 0.670495522551 52865.3643912739 0.9602938435 - 0.677353513645 28405.5818232867 1.9106378474 - 0.671763868589 47711.2063450836 1.0784574230 - 0.666720247041 68828.1399773721 0.7080969453 - 0.661483324182 90662.8672242772 0.5085043595 - 0.656014700548 112201.0086927932 0.3880559228 - 0.650650370079 132560.0883437324 0.3096991658 - 0.645836512417 151078.2555077298 0.2558703733 - 0.642003235938 167363.1192580236 0.2172416816 - 0.639516246476 181273.1297911534 0.1884747894 - 0.638683325573 192880.9646614739 0.1663144530 - 0.639718273383 202448.9918827594 0.1486467672 - 0.670495522551 52865.3643912739 0.9602938435 - 0.729658113503 56857.1077502887 0.9667266092 - 0.800353635274 61527.1345452699 0.9745001157 - 0.886327193359 67065.4487787365 0.9840840913 - 0.993144514881 73739.5918953321 0.9961965740 - 1.129452339081 81937.5778230805 1.0119925369 - 1.309454834421 92241.1658302811 1.0334545496 - 1.558237903138 105554.0274505763 1.0642913649 - 1.924671658869 123322.3116238422 1.1123215438 - 2.518409508871 147830.3657196946 1.1972532946 - 3.647424103741 181619.8437296851 1.3862845863 - 6.640474167972 211395.1374169296 2.1205947264 + 0.670495522551 52865.2999119983 0.9602954574 + 0.677353513645 28405.5504098810 1.9106407735 + 0.671763868589 47711.1509200573 1.0784591504 + 0.666720247041 68828.0350347581 0.7080984306 + 0.661483324182 90662.6513536985 0.5085060221 + 0.656014700548 112200.5483308057 0.3880581039 + 0.650650370079 132559.1330432295 0.3097022126 + 0.645836512417 151076.4527019899 0.2558745230 + 0.642003235938 167360.2401454106 0.2172467348 + 0.639516246476 181269.8369217539 0.1884793930 + 0.638683325573 192881.7679109774 0.1663135270 + 0.639718273383 202492.2353410581 0.1486045760 + 0.670495522551 52865.2999119983 0.9602954574 + 0.729658113503 56857.0330923923 0.9667283570 + 0.800353635274 61527.0470908322 0.9745020215 + 0.886327193359 67065.3449655410 0.9840861855 + 0.993144514881 73739.4667878066 0.9961988956 + 1.129452339081 81937.4244789575 1.0119951358 + 1.309454834421 92240.9744468947 1.0334574889 + 1.558237903120 105553.7846401287 1.0642947169 + 1.924671658869 123322.0021542150 1.1123253606 + 2.518409508871 147829.9889081669 1.1972574622 + 3.647424103741 181619.4914714939 1.3862882549 + 6.640474167972 211395.0420629759 2.1205960347 diff --git a/mytest/seaw_101.sel b/mytest/seaw_101.sel index 0d8feb04f..08e04456c 100644 --- a/mytest/seaw_101.sel +++ b/mytest/seaw_101.sel @@ -1,25 +1,25 @@ Mu SC Viscosity - 0.723595449677 52637.4368371602 0.9594923471 - 0.723596012037 28148.9624025251 1.9103506905 - 0.723595945297 32729.1846658990 1.6227996732 - 0.723595853232 37488.8028538801 1.3992061039 - 0.723595738466 42405.9411600117 1.2215278775 - 0.723595603292 47461.3114484443 1.0777207751 - 0.723595449675 52637.4368371754 0.9594923471 - 0.723595279239 57918.0842944088 0.8609774313 - 0.723595093210 63287.8757936230 0.7779282410 - 0.723594892304 68732.0448572314 0.7072031125 - 0.723594676572 74236.3064283464 0.6464346004 - 0.723594445155 79786.8110921014 0.5938085562 - 0.000000100645 0.0546913894 0.8900243335 + 0.723595449677 52637.4271723948 0.9594925709 + 0.723596012037 28148.9565268622 1.9103511986 + 0.723595945297 32729.1780670401 1.6228000899 + 0.723595853232 37488.7955129980 1.3992064526 + 0.723595738466 42405.9330592037 1.2215281742 + 0.723595603292 47461.3025718983 1.0777210313 + 0.723595449675 52637.4271724099 0.9594925709 + 0.723595279239 57918.0738333466 0.8609776288 + 0.723595093210 63287.8645333244 0.7779284166 + 0.723594892304 68732.0328001631 0.7072032698 + 0.723594676572 74236.2935820867 0.6464347422 + 0.723594445155 79786.7974684045 0.5938086847 + 0.000000100645 0.0546913895 0.8900243330 0.000000033957 0.0114043751 1.7917700371 - 0.000000043187 0.0163633725 1.5181812301 - 0.000000054255 0.0228582750 1.3059059970 - 0.000000067376 0.0311913481 1.1375723553 - 0.000000082768 0.0416878474 1.0015994029 - 0.000000100645 0.0546913894 0.8900243335 - 0.000000121215 0.0705582402 0.7972224566 - 0.000000144672 0.0896506288 0.7191253197 - 0.000000171200 0.1123292366 0.6527276556 - 0.000000200961 0.1389450523 0.5957676010 + 0.000000043187 0.0163633726 1.5181812299 + 0.000000054255 0.0228582750 1.3059059967 + 0.000000067376 0.0311913481 1.1375723549 + 0.000000082768 0.0416878475 1.0015994024 + 0.000000100645 0.0546913895 0.8900243330 + 0.000000121215 0.0705582403 0.7972224561 + 0.000000144672 0.0896506289 0.7191253193 + 0.000000171200 0.1123292367 0.6527276553 + 0.000000200961 0.1389450524 0.5957676009 0.000000234097 0.1698308096 0.5465140424 diff --git a/mytest/seaw_Fabuss.out b/mytest/seaw_Fabuss.out index 7a3ead686..ddaf77c6b 100644 --- a/mytest/seaw_Fabuss.out +++ b/mytest/seaw_Fabuss.out @@ -82,7 +82,7 @@ Initial solution 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 6.579e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.226e-17 + Total alkalinity (eq/kg) = 7.009e-18 Temperature (°C) = 25.00 Electrical balance (eq) = 6.870e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -114,7 +114,6 @@ Mg 6.457e-02 Na 4.763e-01 Na+ 4.624e-01 3.317e-01 -0.335 -0.479 -0.144 -0.51 NaSO4- 1.397e-02 9.490e-03 -1.855 -2.023 -0.168 8.05 - NaOH 1.128e-18 1.313e-18 -17.948 -17.882 0.066 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.760 -43.694 0.066 30.40 S(6) 2.979e-02 @@ -167,7 +166,7 @@ Initial solution 2. Activity of water = 0.972 Ionic strength (mol/kgw) = 9.833e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.389e-16 + Total alkalinity (eq/kg) = -4.594e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -3.282e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -199,7 +198,6 @@ Mg 9.686e-02 Na 7.145e-01 Na+ 6.910e-01 5.046e-01 -0.161 -0.297 -0.137 -0.32 NaSO4- 2.349e-02 1.548e-02 -1.629 -1.810 -0.181 11.69 - NaOH 1.305e-18 1.636e-18 -17.884 -17.786 0.098 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.131 -44.032 0.098 30.40 S(6) 4.469e-02 @@ -252,7 +250,7 @@ Initial solution 3. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.308e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -9.050e-17 + Total alkalinity (eq/kg) = -7.466e-17 Temperature (°C) = 25.00 Electrical balance (eq) = 1.419e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -284,7 +282,6 @@ Mg 1.291e-01 Na 9.526e-01 Na+ 9.188e-01 6.921e-01 -0.037 -0.160 -0.123 -0.15 NaSO4- 3.382e-02 2.183e-02 -1.471 -1.661 -0.190 14.48 - NaOH 1.393e-18 1.883e-18 -17.856 -17.725 0.131 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.460 -44.329 0.131 30.40 S(6) 5.958e-02 @@ -337,9 +334,9 @@ Initial solution 4. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.633e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.736e-16 + Total alkalinity (eq/kg) = 1.989e-16 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.836e-14 + Electrical balance (eq) = 5.858e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 (32 overall) Total H = 1.110124e+02 @@ -369,7 +366,6 @@ Mg 1.614e-01 Na 1.191e+00 Na+ 1.146e+00 8.970e-01 0.059 -0.047 -0.106 -0.01 NaSO4- 4.479e-02 2.846e-02 -1.349 -1.546 -0.197 16.78 - NaOH 1.426e-18 2.077e-18 -17.846 -17.683 0.163 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -44.764 -44.601 0.163 30.40 S(6) 7.448e-02 @@ -422,7 +418,7 @@ Initial solution 5. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.957e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.407e-17 + Total alkalinity (eq/kg) = -4.548e-17 Temperature (°C) = 25.00 Electrical balance (eq) = -1.278e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -454,7 +450,6 @@ Mg 1.937e-01 Na 1.429e+00 Na+ 1.373e+00 1.122e+00 0.138 0.050 -0.088 0.12 NaSO4- 5.628e-02 3.532e-02 -1.250 -1.452 -0.202 18.75 - NaOH 1.423e-18 2.232e-18 -17.847 -17.651 0.196 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.050 -44.855 0.196 30.40 S(6) 8.937e-02 @@ -534,7 +529,7 @@ Initial solution 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 6.537e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.062e-16 + Total alkalinity (eq/kg) = -2.810e-16 Temperature (°C) = 40.00 Electrical balance (eq) = -5.999e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -566,7 +561,6 @@ Mg 6.457e-02 Na 4.763e-01 Na+ 4.627e-01 3.284e-01 -0.335 -0.484 -0.149 0.04 NaSO4- 1.358e-02 9.151e-03 -1.867 -2.039 -0.171 9.50 - NaOH 1.794e-18 2.086e-18 -17.746 -17.681 0.065 (0) O(0) 0.000e+00 O2 0.000e+00 1.034e-40 -40.051 -39.985 0.065 31.40 S(6) 2.979e-02 @@ -619,7 +613,7 @@ Initial solution 2. Activity of water = 0.972 Ionic strength (mol/kgw) = 9.776e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.189e-16 + Total alkalinity (eq/kg) = -1.477e-16 Temperature (°C) = 40.00 Electrical balance (eq) = -3.367e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -651,7 +645,6 @@ Mg 9.686e-02 Na 7.145e-01 Na+ 6.917e-01 4.990e-01 -0.160 -0.302 -0.142 0.20 NaSO4- 2.282e-02 1.490e-02 -1.642 -1.827 -0.185 13.05 - NaOH 2.067e-18 2.589e-18 -17.685 -17.587 0.098 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -40.427 -40.329 0.098 31.40 S(6) 4.469e-02 @@ -704,7 +697,7 @@ Initial solution 3. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.301e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.278e-16 + Total alkalinity (eq/kg) = -5.757e-16 Temperature (°C) = 40.00 Electrical balance (eq) = -4.495e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -736,7 +729,6 @@ Mg 1.291e-01 Na 9.526e-01 Na+ 9.198e-01 6.840e-01 -0.036 -0.165 -0.129 0.34 NaSO4- 3.286e-02 2.101e-02 -1.483 -1.678 -0.194 15.78 - NaOH 2.200e-18 2.968e-18 -17.658 -17.527 0.130 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -40.760 -40.630 0.130 31.40 S(6) 5.958e-02 @@ -789,7 +781,7 @@ Initial solution 4. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.624e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.450e-15 + Total alkalinity (eq/kg) = 3.407e-15 Temperature (°C) = 40.00 Electrical balance (eq) = -2.160e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -821,7 +813,6 @@ Mg 1.614e-01 Na 1.191e+00 Na+ 1.147e+00 8.859e-01 0.060 -0.053 -0.112 0.46 NaSO4- 4.355e-02 2.740e-02 -1.361 -1.562 -0.201 18.03 - NaOH 2.246e-18 3.265e-18 -17.649 -17.486 0.162 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.068 -40.906 0.162 31.40 S(6) 7.448e-02 @@ -874,9 +865,9 @@ Initial solution 5. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.948e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.453e-16 + Total alkalinity (eq/kg) = -1.291e-16 Temperature (°C) = 40.00 - Electrical balance (eq) = 4.090e-13 + Electrical balance (eq) = 4.088e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 (38 overall) Total H = 1.110124e+02 @@ -906,7 +897,6 @@ Mg 1.937e-01 Na 1.429e+00 Na+ 1.374e+00 1.107e+00 0.138 0.044 -0.094 0.57 NaSO4- 5.476e-02 3.403e-02 -1.262 -1.468 -0.207 19.95 - NaOH 2.235e-18 3.500e-18 -17.651 -17.456 0.195 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.358 -41.163 0.195 31.40 S(6) 8.937e-02 @@ -986,7 +976,7 @@ Initial solution 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 6.446e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.751e-15 + Total alkalinity (eq/kg) = -1.756e-15 Temperature (°C) = 75.00 Electrical balance (eq) = -4.817e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1018,7 +1008,6 @@ Mg 6.469e-02 Na 4.772e-01 Na+ 4.653e-01 3.201e-01 -0.332 -0.495 -0.162 0.79 NaSO4- 1.190e-02 7.823e-03 -1.925 -2.107 -0.182 10.80 - NaOH 4.012e-18 4.654e-18 -17.397 -17.332 0.064 (0) O(0) 5.803e-33 O2 2.901e-33 3.365e-33 -32.537 -32.473 0.064 32.99 S(6) 2.985e-02 @@ -1071,7 +1060,7 @@ Initial solution 2. Activity of water = 0.972 Ionic strength (mol/kgw) = 9.655e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.691e-15 + Total alkalinity (eq/kg) = -3.690e-15 Temperature (°C) = 75.00 Electrical balance (eq) = -1.475e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -1103,7 +1092,6 @@ Mg 9.704e-02 Na 7.159e-01 Na+ 6.958e-01 4.851e-01 -0.158 -0.314 -0.157 0.92 NaSO4- 2.006e-02 1.276e-02 -1.698 -1.894 -0.197 14.26 - NaOH 4.583e-18 5.724e-18 -17.339 -17.242 0.097 (0) O(0) 2.382e-33 O2 1.191e-33 1.488e-33 -32.924 -32.828 0.097 32.99 S(6) 4.477e-02 @@ -1156,9 +1144,9 @@ Initial solution 3. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.286e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.790e-16 + Total alkalinity (eq/kg) = 1.703e-16 Temperature (°C) = 75.00 - Electrical balance (eq) = 8.167e-15 + Electrical balance (eq) = 8.278e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 (25 overall) Total H = 1.110124e+02 @@ -1188,7 +1176,6 @@ Mg 1.294e-01 Na 9.545e-01 Na+ 9.255e-01 6.634e-01 -0.034 -0.178 -0.145 1.01 NaSO4- 2.903e-02 1.805e-02 -1.537 -1.743 -0.206 16.92 - NaOH 4.841e-18 6.510e-18 -17.315 -17.186 0.129 (0) O(0) 1.079e-33 O2 5.396e-34 7.257e-34 -33.268 -33.139 0.129 32.99 S(6) 5.970e-02 @@ -1241,7 +1228,7 @@ Initial solution 4. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.607e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -8.553e-16 + Total alkalinity (eq/kg) = -8.697e-16 Temperature (°C) = 75.00 Electrical balance (eq) = 2.209e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1273,7 +1260,6 @@ Mg 1.617e-01 Na 1.193e+00 Na+ 1.154e+00 8.578e-01 0.062 -0.067 -0.129 1.10 NaSO4- 3.866e-02 2.364e-02 -1.413 -1.626 -0.214 19.11 - NaOH 4.907e-18 7.104e-18 -17.309 -17.148 0.161 (0) O(0) 5.187e-34 O2 2.594e-34 3.755e-34 -33.586 -33.425 0.161 32.99 S(6) 7.462e-02 @@ -1326,9 +1312,9 @@ Initial solution 5. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.929e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -6.395e-17 + Total alkalinity (eq/kg) = -5.987e-17 Temperature (°C) = 75.00 - Electrical balance (eq) = 6.588e-15 + Electrical balance (eq) = 6.165e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 (39 overall) Total H = 1.110124e+02 @@ -1358,7 +1344,6 @@ Mg 1.941e-01 Na 1.432e+00 Na+ 1.383e+00 1.071e+00 0.141 0.030 -0.111 1.17 NaSO4- 4.885e-02 2.949e-02 -1.311 -1.530 -0.219 20.99 - NaOH 4.849e-18 7.561e-18 -17.314 -17.121 0.193 (0) O(0) 2.599e-34 O2 1.299e-34 2.026e-34 -33.886 -33.693 0.193 32.99 S(6) 8.954e-02 @@ -1438,9 +1423,9 @@ Initial solution 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 6.393e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.654e-17 + Total alkalinity (eq/kg) = -7.546e-17 Temperature (°C) = 100.00 - Electrical balance (eq) = 3.981e-15 + Electrical balance (eq) = 4.037e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 @@ -1470,7 +1455,6 @@ Mg 6.488e-02 Na 4.786e-01 Na+ 4.677e-01 3.131e-01 -0.330 -0.504 -0.174 1.13 NaSO4- 1.090e-02 7.013e-03 -1.963 -2.154 -0.192 10.55 - NaOH 5.932e-18 6.873e-18 -17.227 -17.163 0.064 (0) O(0) 2.242e-28 O2 1.121e-28 1.299e-28 -27.950 -27.887 0.064 33.90 S(6) 2.993e-02 @@ -1523,9 +1507,9 @@ Initial solution 2. Activity of water = 0.972 Ionic strength (mol/kgw) = 9.585e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.208e-16 + Total alkalinity (eq/kg) = -2.434e-16 Temperature (°C) = 100.00 - Electrical balance (eq) = 8.621e-14 + Electrical balance (eq) = 8.636e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 (17 overall) Total H = 1.110124e+02 @@ -1555,7 +1539,6 @@ Mg 9.732e-02 Na 7.179e-01 Na+ 6.995e-01 4.733e-01 -0.155 -0.325 -0.170 1.24 NaSO4- 1.843e-02 1.145e-02 -1.735 -1.941 -0.207 14.00 - NaOH 6.740e-18 8.405e-18 -17.171 -17.075 0.096 (0) O(0) 9.093e-29 O2 4.546e-29 5.669e-29 -28.342 -28.246 0.096 33.90 S(6) 4.490e-02 @@ -1608,9 +1591,9 @@ Initial solution 3. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.278e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.232e-15 + Total alkalinity (eq/kg) = -2.236e-15 Temperature (°C) = 100.00 - Electrical balance (eq) = -2.804e-12 + Electrical balance (eq) = -2.803e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 (24 overall) Total H = 1.110125e+02 @@ -1640,7 +1623,6 @@ Mg 1.298e-01 Na 9.572e-01 Na+ 9.305e-01 6.463e-01 -0.031 -0.190 -0.158 1.32 NaSO4- 2.674e-02 1.623e-02 -1.573 -1.790 -0.217 16.65 - NaOH 7.080e-18 9.502e-18 -17.150 -17.022 0.128 (0) O(0) 4.050e-29 O2 2.025e-29 2.718e-29 -28.694 -28.566 0.128 33.90 S(6) 5.987e-02 @@ -1693,9 +1675,9 @@ Initial solution 4. Activity of water = 0.953 Ionic strength (mol/kgw) = 1.598e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.320e-16 + Total alkalinity (eq/kg) = -3.036e-16 Temperature (°C) = 100.00 - Electrical balance (eq) = 1.957e-14 + Electrical balance (eq) = 1.986e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 (31 overall) Total H = 1.110125e+02 @@ -1725,7 +1707,6 @@ Mg 1.622e-01 Na 1.197e+00 Na+ 1.161e+00 8.346e-01 0.065 -0.079 -0.143 1.39 NaSO4- 3.571e-02 2.130e-02 -1.447 -1.672 -0.224 18.83 - NaOH 7.132e-18 1.030e-17 -17.147 -16.987 0.160 (0) O(0) 1.908e-29 O2 9.542e-30 1.379e-29 -29.020 -28.861 0.160 33.90 S(6) 7.483e-02 @@ -1778,7 +1759,7 @@ Initial solution 5. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.918e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.383e-14 + Total alkalinity (eq/kg) = 4.385e-14 Temperature (°C) = 100.00 Electrical balance (eq) = 4.439e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 @@ -1810,7 +1791,6 @@ Mg 1.946e-01 Na 1.436e+00 Na+ 1.391e+00 1.040e+00 0.143 0.017 -0.126 1.45 NaSO4- 4.526e-02 2.663e-02 -1.344 -1.575 -0.230 20.70 - NaOH 7.005e-18 1.090e-17 -17.155 -16.963 0.192 (0) O(0) 9.358e-30 O2 4.679e-30 7.278e-30 -29.330 -29.138 0.192 33.90 S(6) 8.980e-02 @@ -1890,10 +1870,10 @@ Initial solution 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 6.369e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.024e-15 + Total alkalinity (eq/kg) = -1.036e-15 Temperature (°C) = 125.00 Pressure (atm) = 2.25 - Electrical balance (eq) = -7.343e-13 + Electrical balance (eq) = -7.345e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110125e+02 @@ -1923,7 +1903,6 @@ Mg 6.524e-02 Na 4.813e-01 Na+ 4.707e-01 3.053e-01 -0.327 -0.515 -0.188 1.43 NaSO4- 1.054e-02 6.610e-03 -1.977 -2.180 -0.203 9.46 - NaOH 7.754e-18 8.978e-18 -17.111 -17.047 0.064 (0) O(0) 2.641e-24 O2 1.320e-24 1.529e-24 -23.879 -23.816 0.064 34.83 S(6) 3.010e-02 @@ -1976,7 +1955,7 @@ Initial solution 2. Activity of water = 0.971 Ionic strength (mol/kgw) = 9.559e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.796e-15 + Total alkalinity (eq/kg) = 2.788e-15 Temperature (°C) = 125.00 Pressure (atm) = 2.22 Electrical balance (eq) = -6.324e-11 @@ -2009,7 +1988,6 @@ Mg 9.786e-02 Na 7.219e-01 Na+ 7.041e-01 4.604e-01 -0.152 -0.337 -0.184 1.53 NaSO4- 1.782e-02 1.077e-02 -1.749 -1.968 -0.219 12.93 - NaOH 8.760e-18 1.092e-17 -17.058 -16.962 0.096 (0) O(0) 1.058e-24 O2 5.290e-25 6.592e-25 -24.277 -24.181 0.096 34.83 S(6) 4.515e-02 @@ -2062,7 +2040,7 @@ Initial solution 3. Activity of water = 0.962 Ionic strength (mol/kgw) = 1.275e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.974e-16 + Total alkalinity (eq/kg) = -3.057e-16 Temperature (°C) = 125.00 Pressure (atm) = 2.20 Electrical balance (eq) = 2.790e-14 @@ -2095,7 +2073,6 @@ Mg 1.305e-01 Na 9.625e-01 Na+ 9.367e-01 6.276e-01 -0.028 -0.202 -0.174 1.61 NaSO4- 2.587e-02 1.525e-02 -1.587 -1.817 -0.229 15.58 - NaOH 9.139e-18 1.226e-17 -17.039 -16.912 0.128 (0) O(0) 4.619e-25 O2 2.310e-25 3.098e-25 -24.636 -24.509 0.128 34.83 S(6) 6.020e-02 @@ -2148,10 +2125,10 @@ Initial solution 4. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.596e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.394e-16 + Total alkalinity (eq/kg) = 2.078e-16 Temperature (°C) = 125.00 Pressure (atm) = 2.18 - Electrical balance (eq) = -8.941e-15 + Electrical balance (eq) = -9.159e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 (29 overall) Total H = 1.110125e+02 @@ -2181,7 +2158,6 @@ Mg 1.631e-01 Na 1.203e+00 Na+ 1.169e+00 8.094e-01 0.068 -0.092 -0.160 1.66 NaSO4- 3.458e-02 2.002e-02 -1.461 -1.699 -0.237 17.77 - NaOH 9.139e-18 1.320e-17 -17.039 -16.880 0.160 (0) O(0) 2.124e-25 O2 1.062e-25 1.534e-25 -24.974 -24.814 0.160 34.83 S(6) 7.525e-02 @@ -2234,7 +2210,7 @@ Initial solution 5. Activity of water = 0.943 Ionic strength (mol/kgw) = 1.916e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.506e-16 + Total alkalinity (eq/kg) = 3.412e-16 Temperature (°C) = 125.00 Pressure (atm) = 2.16 Electrical balance (eq) = 6.150e-12 @@ -2267,7 +2243,6 @@ Mg 1.957e-01 Na 1.444e+00 Na+ 1.400e+00 1.008e+00 0.146 0.004 -0.143 1.71 NaSO4- 4.387e-02 2.504e-02 -1.358 -1.601 -0.244 19.64 - NaOH 8.907e-18 1.385e-17 -17.050 -16.859 0.192 (0) O(0) 1.014e-25 O2 5.072e-26 7.885e-26 -25.295 -25.103 0.192 34.83 S(6) 9.030e-02 @@ -2348,10 +2323,10 @@ Initial solution 1. Activity of water = 0.981 Ionic strength (mol/kgw) = 6.394e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -2.835e-18 + Total alkalinity (eq/kg) = -5.760e-17 Temperature (°C) = 150.00 Pressure (atm) = 4.61 - Electrical balance (eq) = -5.950e-16 + Electrical balance (eq) = -3.981e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 8 Total H = 1.110125e+02 @@ -2381,7 +2356,6 @@ Mg 6.591e-02 Na 4.862e-01 Na+ 4.751e-01 2.971e-01 -0.323 -0.527 -0.204 1.73 NaSO4- 1.105e-02 6.721e-03 -1.957 -2.173 -0.216 7.37 - NaOH 9.047e-18 1.048e-17 -17.043 -16.980 0.064 (0) O(0) 1.138e-20 O2 5.691e-21 6.593e-21 -20.245 -20.181 0.064 35.91 S(6) 3.041e-02 @@ -2434,10 +2408,10 @@ Initial solution 2. Activity of water = 0.971 Ionic strength (mol/kgw) = 9.607e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -3.722e-16 + Total alkalinity (eq/kg) = -4.916e-16 Temperature (°C) = 150.00 Pressure (atm) = 4.56 - Electrical balance (eq) = -8.299e-14 + Electrical balance (eq) = -8.308e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7 (15 overall) Total H = 1.110125e+02 @@ -2467,7 +2441,6 @@ Mg 9.886e-02 Na 7.292e-01 Na+ 7.106e-01 4.469e-01 -0.148 -0.350 -0.201 1.84 NaSO4- 1.861e-02 1.089e-02 -1.730 -1.963 -0.233 10.87 - NaOH 1.014e-17 1.265e-17 -16.994 -16.898 0.096 (0) O(0) 4.478e-21 O2 2.239e-21 2.793e-21 -20.650 -20.554 0.096 35.91 S(6) 4.561e-02 @@ -2520,7 +2493,7 @@ Initial solution 3. Activity of water = 0.961 Ionic strength (mol/kgw) = 1.283e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.289e-15 + Total alkalinity (eq/kg) = 4.282e-15 Temperature (°C) = 150.00 Pressure (atm) = 4.52 Electrical balance (eq) = 3.553e-12 @@ -2553,7 +2526,6 @@ Mg 1.318e-01 Na 9.724e-01 Na+ 9.454e-01 6.081e-01 -0.024 -0.216 -0.192 1.92 NaSO4- 2.694e-02 1.536e-02 -1.570 -1.814 -0.244 13.56 - NaOH 1.049e-17 1.409e-17 -16.979 -16.851 0.128 (0) O(0) 1.903e-21 O2 9.515e-22 1.278e-21 -21.022 -20.893 0.128 35.91 S(6) 6.081e-02 @@ -2606,11 +2578,11 @@ Initial solution 4. Activity of water = 0.952 Ionic strength (mol/kgw) = 1.606e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -4.994e-18 + Total alkalinity (eq/kg) = 2.139e-16 Temperature (°C) = 150.00 Pressure (atm) = 4.47 - Electrical balance (eq) = -2.949e-17 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 5.395e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 (30 overall) Total H = 1.110125e+02 Total O = 5.581033e+01 @@ -2639,7 +2611,6 @@ Mg 1.648e-01 Na 1.215e+00 Na+ 1.180e+00 7.836e-01 0.072 -0.106 -0.178 1.98 NaSO4- 3.595e-02 2.010e-02 -1.444 -1.697 -0.253 15.77 - NaOH 1.039e-17 1.504e-17 -16.983 -16.823 0.161 (0) O(0) 8.480e-22 O2 4.240e-22 6.136e-22 -21.373 -21.212 0.161 35.91 S(6) 7.602e-02 @@ -2692,7 +2663,7 @@ Initial solution 5. Activity of water = 0.942 Ionic strength (mol/kgw) = 1.929e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -5.044e-17 + Total alkalinity (eq/kg) = -1.490e-16 Temperature (°C) = 150.00 Pressure (atm) = 4.43 Electrical balance (eq) = 3.712e-10 @@ -2725,7 +2696,6 @@ Mg 1.977e-01 Na 1.459e+00 Na+ 1.413e+00 9.753e-01 0.150 -0.011 -0.161 2.02 NaSO4- 4.554e-02 2.508e-02 -1.342 -1.601 -0.259 17.66 - NaOH 1.003e-17 1.564e-17 -16.999 -16.806 0.193 (0) O(0) 3.915e-22 O2 1.958e-22 3.052e-22 -21.708 -21.515 0.193 35.91 S(6) 9.122e-02 diff --git a/mytest/seaw_Fabuss_101.sel b/mytest/seaw_Fabuss_101.sel index 387aabd58..e6cc327d0 100644 --- a/mytest/seaw_Fabuss_101.sel +++ b/mytest/seaw_Fabuss_101.sel @@ -1,31 +1,31 @@ Mu SC Viscosity - 0.657933320178 51824.2886146119 0.9598900754 - 0.983303242063 72806.5684604026 0.9971052302 - 1.308070439671 91656.0597334688 1.0366223732 - 1.632517550082 108609.4587776685 1.0785718920 - 1.956801368341 123826.7494978722 1.1230818352 - 0.653692706111 67480.8336598059 0.7074387209 - 0.977599136550 94595.1523942824 0.7362863567 - 1.301118520228 118877.1311121967 0.7666634370 - 1.624485966374 140670.3785422705 0.7986361304 - 1.947830712474 160211.1868517737 0.8322734183 - 0.644586304919 104941.8231845352 0.4126352937 - 0.965462419513 146750.1112474646 0.4309564226 - 1.286391146199 184067.0021593169 0.4500413804 - 1.607450162403 217488.5061798154 0.4698972598 - 1.928846667784 247450.6881099705 0.4905468011 - 0.639265980150 130420.9035987646 0.3092319257 - 0.958489786124 182367.2753971785 0.3235067579 - 1.278038921054 228751.1338930762 0.3383067518 - 1.597993170291 270336.4198330716 0.3536329463 - 1.918399457162 307663.6632678573 0.3694886440 - 0.636860320157 153583.7070921772 0.2447552270 - 0.955884896262 214980.9783385082 0.2563610677 - 1.275480663059 269917.4328516427 0.2683455288 - 1.595665256698 319279.2167354809 0.2807075840 - 1.916452340167 363697.0854341474 0.2934472063 - 0.639412707503 174176.3158789900 0.2017980950 - 0.960652175335 244283.3874001371 0.2115489008 - 1.282755649128 307237.3812444135 0.2215826270 - 1.605613435933 363982.7482417367 0.2318970171 - 1.929139070913 415196.5283744007 0.2424898841 + 0.657933320178 51824.2884695218 0.9598900791 + 0.983303242063 72806.5682624390 0.9971052340 + 1.308070439671 91656.0595006341 1.0366223768 + 1.632517550082 108609.4585251589 1.0785718954 + 1.956801368341 123826.7492376256 1.1230818384 + 0.653692706111 67480.8333469706 0.7074387254 + 0.977599136550 94595.1519727377 0.7362863612 + 1.301118520228 118877.1306209378 0.7666634413 + 1.624485966374 140670.3780133176 0.7986361345 + 1.947830712474 160211.1863097137 0.8322734221 + 0.644586304919 104941.8217884897 0.4126353012 + 0.965462419513 146750.1094409317 0.4309564299 + 1.286391146199 184067.0001146057 0.4500413872 + 1.607450162403 217488.5040283924 0.4698972661 + 1.928846667784 247450.6859465766 0.4905468070 + 0.639265980150 130420.9003738580 0.3092319361 + 0.958489786124 182367.2713323217 0.3235067677 + 1.278038921054 228751.1293835888 0.3383067609 + 1.597993170291 270336.4151664317 0.3536329547 + 1.918399457162 307663.6586420263 0.3694886516 + 0.636860320157 153583.7007006242 0.2447552408 + 0.955884896262 214980.9704766828 0.2563610804 + 1.275480663059 269917.4243000601 0.2683455404 + 1.595665256698 319279.2080350320 0.2807075944 + 1.916452340167 363697.0769391553 0.2934472156 + 0.639412707503 174176.3044901812 0.2017981128 + 0.960652175335 244283.3738018791 0.2115489167 + 1.282755649128 307237.3668072572 0.2215826410 + 1.605613435933 363982.7338576193 0.2318970295 + 1.929139070913 415196.5145887309 0.2424898949 diff --git a/mytest/seaw_SC.out b/mytest/seaw_SC.out index 0db3cf8b9..99802ae76 100644 --- a/mytest/seaw_SC.out +++ b/mytest/seaw_SC.out @@ -136,10 +136,10 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979) pH = 8.220 pe = 8.451 - Specific Conductance (µS/cm, 25°C) = 52857 + Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -253,7 +253,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.622e-20 O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40 S(6) 2.926e-02 @@ -476,7 +475,6 @@ Na 4.854e-01 Na+ 4.723e-01 3.439e-01 -0.326 -0.464 -0.138 -2.25 NaSO4- 1.303e-02 8.940e-03 -1.885 -2.049 -0.164 3.10 NaHCO3 1.127e-04 1.539e-04 -3.948 -3.813 0.135 31.92 - NaOH 1.339e-17 1.565e-17 -16.873 -16.805 0.068 (0) O(0) 2.959e-11 O2 1.479e-11 1.729e-11 -10.830 -10.762 0.068 27.49 S(-2) 0.000e+00 @@ -709,7 +707,6 @@ Na 4.854e-01 Na+ 4.719e-01 3.427e-01 -0.326 -0.465 -0.139 -1.76 NaSO4- 1.342e-02 9.187e-03 -1.872 -2.037 -0.164 4.57 NaHCO3 1.314e-04 1.794e-04 -3.881 -3.746 0.135 31.89 - NaOH 1.770e-17 2.068e-17 -16.752 -16.684 0.068 (0) O(0) 4.188e-11 O2 2.094e-11 2.447e-11 -10.679 -10.611 0.068 28.29 S(-2) 0.000e+00 @@ -820,7 +817,7 @@ Using temperature 1. Specific Conductance (µS/cm, 10°C) = 37750 Density (g/cm³) = 1.02687 Volume (L) = 1.00923 - Viscosity (mPa s) = 1.39974 + Viscosity (mPa s) = 1.39975 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.743e-01 Mass of water (kg) = 1.000e+00 @@ -942,7 +939,6 @@ Na 4.854e-01 Na+ 4.716e-01 3.416e-01 -0.326 -0.467 -0.140 -1.36 NaSO4- 1.369e-02 9.354e-03 -1.864 -2.029 -0.165 5.75 NaHCO3 1.520e-04 2.074e-04 -3.818 -3.683 0.135 31.86 - NaOH 2.309e-17 2.697e-17 -16.636 -16.569 0.067 (0) O(0) 5.840e-11 O2 2.920e-11 3.410e-11 -10.535 -10.467 0.067 28.95 S(-2) 0.000e+00 @@ -1175,7 +1171,6 @@ Na 4.854e-01 Na+ 4.714e-01 3.404e-01 -0.327 -0.468 -0.141 -1.03 NaSO4- 1.386e-02 9.450e-03 -1.858 -2.025 -0.166 6.73 NaHCO3 1.746e-04 2.380e-04 -3.758 -3.623 0.135 31.82 - NaOH 2.977e-17 3.476e-17 -16.526 -16.459 0.067 (0) O(0) 8.025e-11 O2 4.013e-11 4.685e-11 -10.397 -10.329 0.067 29.51 S(-2) 0.000e+00 @@ -1408,7 +1403,6 @@ Na 4.854e-01 Na+ 4.713e-01 3.393e-01 -0.327 -0.469 -0.143 -0.75 NaSO4- 1.395e-02 9.487e-03 -1.856 -2.023 -0.167 7.54 NaHCO3 1.990e-04 2.711e-04 -3.701 -3.567 0.134 31.77 - NaOH 3.792e-17 4.427e-17 -16.421 -16.354 0.067 (0) O(0) 1.089e-10 O2 5.443e-11 6.354e-11 -10.264 -10.197 0.067 29.98 S(-2) 0.000e+00 @@ -1516,10 +1510,10 @@ Using temperature 1. pH = 8.220 Charge balance pe = 10.787 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 52857 + Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -1641,7 +1635,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 1.459e-10 O2 7.295e-11 8.513e-11 -10.137 -10.070 0.067 30.40 S(-2) 0.000e+00 @@ -1749,7 +1742,7 @@ Using temperature 1. pH = 8.154 Charge balance pe = 10.476 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 30°C) = 58105 + Specific Conductance (µS/cm, 30°C) = 58104 Density (g/cm³) = 1.02167 Volume (L) = 1.01437 Viscosity (mPa s) = 0.86183 @@ -1874,7 +1867,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.370e-01 -0.327 -0.472 -0.146 -0.30 NaSO4- 1.392e-02 9.417e-03 -1.857 -2.026 -0.170 8.79 NaHCO3 2.532e-04 3.445e-04 -3.597 -3.463 0.134 31.67 - NaOH 5.932e-17 6.920e-17 -16.227 -16.160 0.067 (0) O(0) 1.935e-10 O2 9.674e-11 1.129e-10 -10.014 -9.947 0.067 30.77 S(-2) 0.000e+00 @@ -2107,7 +2099,6 @@ Na 4.854e-01 Na+ 4.713e-01 3.358e-01 -0.327 -0.474 -0.147 -0.12 NaSO4- 1.382e-02 9.325e-03 -1.859 -2.030 -0.171 9.26 NaHCO3 2.828e-04 3.846e-04 -3.549 -3.415 0.134 31.62 - NaOH 7.274e-17 8.484e-17 -16.138 -16.071 0.067 (0) O(0) 2.542e-10 O2 1.271e-10 1.482e-10 -9.896 -9.829 0.067 31.10 S(-2) 0.000e+00 @@ -2340,7 +2331,6 @@ Na 4.854e-01 Na+ 4.714e-01 3.346e-01 -0.327 -0.475 -0.149 0.04 NaSO4- 1.368e-02 9.206e-03 -1.864 -2.036 -0.172 9.67 NaHCO3 3.140e-04 4.268e-04 -3.503 -3.370 0.133 31.56 - NaOH 8.793e-17 1.025e-16 -16.056 -15.989 0.067 (0) O(0) 3.314e-10 O2 1.657e-10 1.932e-10 -9.781 -9.714 0.067 31.40 S(-2) 0.000e+00 @@ -2471,7 +2461,7 @@ Using pressure 1. Specific Conductance (µS/cm, 0°C) = 32754 Density (g/cm³) = 1.07174 Volume (L) = 0.96697 - Viscosity (mPa s) = 1.77021 + Viscosity (mPa s) = 1.77022 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.518e-01 Mass of water (kg) = 1.000e+00 @@ -2594,7 +2584,6 @@ Na 4.854e-01 Na+ 4.664e-01 3.458e-01 -0.331 -0.461 -0.130 0.28 NaSO4- 1.889e-02 1.320e-02 -1.724 -1.879 -0.156 20.90 NaHCO3 8.649e-05 1.168e-04 -4.063 -3.933 0.130 32.17 - NaOH 1.079e-17 1.253e-17 -16.967 -16.902 0.065 (0) O(0) 2.438e-11 O2 1.219e-11 1.417e-11 -10.914 -10.849 0.065 27.50 S(-2) 0.000e+00 @@ -2829,7 +2818,6 @@ Na 4.854e-01 Na+ 4.661e-01 3.447e-01 -0.331 -0.463 -0.131 0.71 NaSO4- 1.916e-02 1.337e-02 -1.718 -1.874 -0.156 21.16 NaHCO3 1.066e-04 1.440e-04 -3.972 -3.842 0.131 32.15 - NaOH 1.433e-17 1.665e-17 -16.844 -16.779 0.065 (0) O(0) 3.512e-11 O2 1.756e-11 2.041e-11 -10.755 -10.690 0.065 27.99 S(-2) 0.000e+00 @@ -3064,7 +3052,6 @@ Na 4.854e-01 Na+ 4.660e-01 3.438e-01 -0.332 -0.464 -0.132 1.06 NaSO4- 1.927e-02 1.342e-02 -1.715 -1.872 -0.157 21.37 NaHCO3 1.290e-04 1.743e-04 -3.889 -3.759 0.131 32.13 - NaOH 1.880e-17 2.186e-17 -16.726 -16.660 0.065 (0) O(0) 4.960e-11 O2 2.480e-11 2.883e-11 -10.606 -10.540 0.065 28.40 S(-2) 0.000e+00 @@ -3176,7 +3163,7 @@ Using pressure 1. Specific Conductance (µS/cm, 15°C) = 46170 Density (g/cm³) = 1.06710 Volume (L) = 0.97118 - Viscosity (mPa s) = 1.19658 + Viscosity (mPa s) = 1.19659 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.543e-01 Mass of water (kg) = 1.000e+00 @@ -3299,7 +3286,6 @@ Na 4.854e-01 Na+ 4.660e-01 3.429e-01 -0.332 -0.465 -0.133 1.35 NaSO4- 1.926e-02 1.338e-02 -1.715 -1.874 -0.158 21.54 NaHCO3 1.536e-04 2.076e-04 -3.814 -3.683 0.131 32.10 - NaOH 2.442e-17 2.840e-17 -16.612 -16.547 0.065 (0) O(0) 6.884e-11 O2 3.442e-11 4.002e-11 -10.463 -10.398 0.065 28.74 S(-2) 0.000e+00 @@ -3534,7 +3520,6 @@ Na 4.854e-01 Na+ 4.661e-01 3.420e-01 -0.332 -0.466 -0.134 1.60 NaSO4- 1.916e-02 1.328e-02 -1.718 -1.877 -0.159 21.68 NaHCO3 1.804e-04 2.439e-04 -3.744 -3.613 0.131 32.07 - NaOH 3.141e-17 3.652e-17 -16.503 -16.438 0.065 (0) O(0) 9.401e-11 O2 4.700e-11 5.465e-11 -10.328 -10.262 0.065 29.03 S(-2) 0.000e+00 @@ -3769,7 +3754,6 @@ Na 4.854e-01 Na+ 4.662e-01 3.411e-01 -0.331 -0.467 -0.136 1.81 NaSO4- 1.899e-02 1.313e-02 -1.722 -1.882 -0.160 21.79 NaHCO3 2.094e-04 2.831e-04 -3.679 -3.548 0.131 32.04 - NaOH 3.999e-17 4.650e-17 -16.398 -16.333 0.065 (0) O(0) 1.265e-10 O2 6.325e-11 7.354e-11 -10.199 -10.133 0.065 29.29 S(-2) 0.000e+00 @@ -4004,7 +3988,6 @@ Na 4.854e-01 Na+ 4.664e-01 3.402e-01 -0.331 -0.468 -0.137 1.99 NaSO4- 1.876e-02 1.293e-02 -1.727 -1.888 -0.161 21.87 NaHCO3 2.404e-04 3.250e-04 -3.619 -3.488 0.131 32.00 - NaOH 5.042e-17 5.862e-17 -16.297 -16.232 0.065 (0) O(0) 1.679e-10 O2 8.397e-11 9.764e-11 -10.076 -10.010 0.065 29.52 S(-2) 0.000e+00 @@ -4239,7 +4222,6 @@ Na 4.854e-01 Na+ 4.667e-01 3.393e-01 -0.331 -0.469 -0.138 2.15 NaSO4- 1.848e-02 1.271e-02 -1.733 -1.896 -0.163 21.93 NaHCO3 2.733e-04 3.695e-04 -3.563 -3.432 0.131 31.97 - NaOH 6.291e-17 7.315e-17 -16.201 -16.136 0.065 (0) O(0) 2.203e-10 O2 1.102e-10 1.281e-10 -9.958 -9.893 0.065 29.72 S(-2) 0.000e+00 @@ -4348,10 +4330,10 @@ Using pressure 1. pH = 7.635 Charge balance pe = 10.240 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 40°C) = 70135 + Specific Conductance (µS/cm, 40°C) = 70134 Density (g/cm³) = 1.05690 Volume (L) = 0.98056 - Viscosity (mPa s) = 0.72922 + Viscosity (mPa s) = 0.72923 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.546e-01 Mass of water (kg) = 1.000e+00 @@ -4474,7 +4456,6 @@ Na 4.854e-01 Na+ 4.669e-01 3.384e-01 -0.331 -0.471 -0.140 2.28 NaSO4- 1.817e-02 1.246e-02 -1.741 -1.904 -0.164 21.98 NaHCO3 3.080e-04 4.163e-04 -3.511 -3.381 0.131 31.92 - NaOH 7.765e-17 9.028e-17 -16.110 -16.044 0.065 (0) O(0) 2.860e-10 O2 1.430e-10 1.662e-10 -9.845 -9.779 0.065 29.91 S(-2) 0.000e+00 diff --git a/mytest/seaw_SC_101.sel b/mytest/seaw_SC_101.sel index 235df11b9..23bb3ec09 100644 --- a/mytest/seaw_SC_101.sel +++ b/mytest/seaw_SC_101.sel @@ -1,20 +1,20 @@ Mu SC - 0.670406016800 52857.0220075903 - 0.677252033803 28400.9122012656 - 0.675731648428 32989.8053627640 - 0.674312648115 37750.9559071116 - 0.672967489774 42662.1672321100 - 0.671672052513 47703.6194374193 - 0.670406016716 52857.0220041513 - 0.669152890828 58105.0034432875 - 0.667899853705 63430.7019984185 - 0.666637502641 68817.5194107623 - 0.651827792366 32754.3173631945 - 0.653005421729 37117.4762664292 - 0.653808001509 41594.1082256536 - 0.654336282253 46170.1283648703 - 0.654656420877 50832.2922494552 - 0.654813035554 55567.8656380313 - 0.654837082498 60364.4267960843 - 0.654750729857 65209.7639979573 - 0.654570446938 70135.0173144060 + 0.670406016800 52856.9574346298 + 0.677252033803 28400.8808299929 + 0.675731648428 32989.7693129306 + 0.674312648115 37750.9144128268 + 0.672967489774 42662.1193398943 + 0.671672052513 47703.5639538750 + 0.670406016716 52856.9574312087 + 0.669152890828 58104.9278991802 + 0.667899853705 63430.6131234078 + 0.666637502641 68817.4142575469 + 0.651827792366 32754.2835352145 + 0.653005421729 37117.4370392826 + 0.653808001509 41594.0629639499 + 0.654336282253 46170.0762703070 + 0.654656420877 50832.2323221771 + 0.654813035554 55567.7966257538 + 0.654837082498 60364.3471292531 + 0.654750729857 65209.6717100375 + 0.654570446938 70134.9098819479 diff --git a/mytest/seaw_anhyd_101.sel b/mytest/seaw_anhyd_101.sel index 6bd5a1cd4..5ac03309c 100644 --- a/mytest/seaw_anhyd_101.sel +++ b/mytest/seaw_anhyd_101.sel @@ -1,22 +1,22 @@ Mu SC - 0.670036490590 52927.9360891324 - 0.673894374874 37850.4725255577 - 0.668526198503 59340.4996417771 - 0.663204881681 82152.5551383637 - 0.657578513384 105064.0806053155 - 0.651917461432 126971.5463295863 - 0.646725084060 147018.3479238628 - 0.642508176693 164665.8901199338 - 0.639703659767 179698.3147971051 - 0.638678298181 192169.6659918707 - 0.639692626787 202369.6351520060 - 0.662884049176 40004.1827814514 - 0.660726650833 60596.7687732887 - 0.657654598100 82322.9185804198 - 0.653918631327 104123.6037699761 - 0.649923082300 125005.6390565290 - 0.646159356888 144182.2974526350 - 0.643099842731 161146.3999045927 - 0.641158168162 175676.9277771932 - 0.640684216537 187790.8972391768 - 0.641920625389 197678.8041347622 + 0.670036490590 52927.8725746925 + 0.673894374874 37850.4317554616 + 0.668526198503 59340.4225956831 + 0.663204881681 82152.3952660733 + 0.657578513384 105063.7274882563 + 0.651917461432 126970.7714855769 + 0.646725084060 147016.7806638837 + 0.642508176693 164663.1961108651 + 0.639703659767 179694.9350048120 + 0.638678298181 192169.7310750142 + 0.639692626787 202411.2661004596 + 0.662884049176 40004.1401771706 + 0.660726650833 60596.6905600667 + 0.657654598100 82322.7624188693 + 0.653918631327 104123.2713113049 + 0.649923082300 125004.9319871464 + 0.646159356888 144180.8681193562 + 0.643099842731 161143.7912913284 + 0.641158168162 175672.8912550519 + 0.640684216537 187786.3291696963 + 0.641920625389 197678.6727733082 diff --git a/mytest/solid_solution.out b/mytest/solid_solution.out index ef87d65ad..7990bbe6b 100644 --- a/mytest/solid_solution.out +++ b/mytest/solid_solution.out @@ -66,7 +66,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 3 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89014 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.647e-05 Mass of water (kg) = 1.000e+00 @@ -163,7 +163,7 @@ Ca(x)Mg(1-x)CO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 3 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89014 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.647e-05 Mass of water (kg) = 1.000e+00 @@ -290,7 +290,7 @@ Ca(x)Mg(1-x)CO3 9.89e-03 Specific Conductance (µS/cm, 25°C) = 34 Density (g/cm³) = 0.99706 Volume (L) = 1.00296 - Viscosity (mPa s) = 0.89041 + Viscosity (mPa s) = 0.89042 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.937e-04 Mass of water (kg) = 1.000e+00 diff --git a/mytest/solid_solution_101.sel b/mytest/solid_solution_101.sel index 80c07b116..9e4a1ad64 100644 --- a/mytest/solid_solution_101.sel +++ b/mytest/solid_solution_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.000056470449 3.6822558948 - 0.000056470449 3.6822558948 - 0.000393664806 34.1439846403 + 0.000056470449 3.6822273950 + 0.000056470449 3.6822273950 + 0.000393664806 34.1439017295 diff --git a/mytest/solid_solution_pz.out b/mytest/solid_solution_pz.out index b22bfcbea..bb9386567 100644 --- a/mytest/solid_solution_pz.out +++ b/mytest/solid_solution_pz.out @@ -66,7 +66,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 3 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89014 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.655e-05 Mass of water (kg) = 1.000e+00 @@ -155,7 +155,7 @@ Ca(x)Mg(1-x)CO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 3 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89014 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.655e-05 Mass of water (kg) = 1.000e+00 diff --git a/mytest/solid_solution_pz_101.sel b/mytest/solid_solution_pz_101.sel index f7de502d3..1a7fe295e 100644 --- a/mytest/solid_solution_pz_101.sel +++ b/mytest/solid_solution_pz_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.000056551190 3.6886257310 - 0.000056551190 3.6886257309 - 0.000424600212 36.7991150415 + 0.000056551190 3.6886055503 + 0.000056551190 3.6886055502 + 0.000424600212 36.7990893132 diff --git a/mytest/soln_vol.out b/mytest/soln_vol.out index ee0af3f33..855d54112 100644 --- a/mytest/soln_vol.out +++ b/mytest/soln_vol.out @@ -61,10 +61,10 @@ Volume (L) = 1.0795e+00 1.0795e+00 pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 143219 + Specific Conductance (µS/cm, 25°C) = 142851 Density (g/cm³) = 1.08917 Volume (L) = 1.07949 - Viscosity (mPa s) = 1.34412 + Viscosity (mPa s) = 1.38057 Activity of water = 0.954 Ionic strength (mol/kgw) = 2.135e+00 Mass of water (kg) = 1.000e+00 @@ -169,10 +169,10 @@ Volume (L) = 1.0794e+00 1.0794e+00 pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 143126 + Specific Conductance (µS/cm, 25°C) = 142761 Density (g/cm³) = 1.08911 Volume (L) = 1.07938 - Viscosity (mPa s) = 1.34365 + Viscosity (mPa s) = 1.37980 Activity of water = 0.954 Ionic strength (mol/kgw) = 2.133e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/soln_vol_101.sel b/mytest/soln_vol_101.sel index f9f2aaa62..83f310a14 100644 --- a/mytest/soln_vol_101.sel +++ b/mytest/soln_vol_101.sel @@ -1,3 +1,3 @@ Mu SC - 2.134508957470 143219.5716645955 - 2.132848722230 143126.2157809635 + 2.134508957470 142851.8598961883 + 2.132848722230 142761.3185712278 diff --git a/mytest/solution_s.out b/mytest/solution_s.out index f2e172482..f67a2c0e3 100644 --- a/mytest/solution_s.out +++ b/mytest/solution_s.out @@ -69,7 +69,7 @@ Initial solution 1. soln 1 Specific Conductance (µS/cm, 25°C) = 652 Density (g/cm³) = 0.99741 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89296 + Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.743e-03 Mass of water (kg) = 1.000e+00 @@ -128,7 +128,6 @@ Na 1.000e-03 Na+ 9.811e-04 8.914e-04 -3.008 -3.050 -0.042 -1.39 NaSO4- 1.820e-05 1.657e-05 -4.740 -4.781 -0.041 -15.56 NaHCO3 6.947e-07 6.975e-07 -6.158 -6.156 0.002 31.73 - NaOH 9.003e-21 9.021e-21 -20.046 -20.045 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 S(6) 2.000e-03 @@ -187,7 +186,7 @@ Initial solution 10. soln 10-11 Specific Conductance (µS/cm, 25°C) = 652 Density (g/cm³) = 0.99741 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89296 + Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.743e-03 Mass of water (kg) = 1.000e+00 @@ -246,7 +245,6 @@ Na 1.000e-03 Na+ 9.811e-04 8.914e-04 -3.008 -3.050 -0.042 -1.39 NaSO4- 1.820e-05 1.657e-05 -4.740 -4.781 -0.041 -15.56 NaHCO3 6.947e-07 6.975e-07 -6.158 -6.156 0.002 31.73 - NaOH 9.003e-21 9.021e-21 -20.046 -20.045 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 S(6) 2.000e-03 diff --git a/mytest/solution_s_101.sel b/mytest/solution_s_101.sel index 1ee998230..17af36fd7 100644 --- a/mytest/solution_s_101.sel +++ b/mytest/solution_s_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.008743104657 652.7935385226 - 0.008743104657 652.7935385226 + 0.008743104657 652.7687689659 + 0.008743104657 652.7687689659 diff --git a/mytest/spec_cond_101.sel b/mytest/spec_cond_101.sel index 0a52cc2d2..dc78d51ca 100644 --- a/mytest/spec_cond_101.sel +++ b/mytest/spec_cond_101.sel @@ -1,2 +1,2 @@ Mu SC - 3.000000004899 195800.2997108942 + 3.000000004899 195800.2855262051 diff --git a/mytest/species_equation.out b/mytest/species_equation.out index 9fc24d734..2d3fab3a7 100644 --- a/mytest/species_equation.out +++ b/mytest/species_equation.out @@ -95,7 +95,6 @@ H(0) 1.413e-25 Na 1.000e-03 Na+ 9.676e-04 8.828e-04 -3.014 -3.054 -0.040 -1.40 NaSO4- 3.239e-05 2.961e-05 -4.490 -4.529 -0.039 -15.88 - NaOH 8.918e-21 8.934e-21 -20.050 -20.049 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 S(6) 3.000e-03 @@ -315,20 +314,10 @@ Al+3 + 2SO4-2 = Al(SO4)2- Al(SO4)2- -1 Al+3 1 SO4-2 2 -Na+ + OH- = NaOH - NaOH -1 - Na+ 1 - OH- 1 Al+3 + HSO4- = AlHSO4+2 AlHSO4+2 -1 Al+3 1 HSO4- 1 -9H+ + SO4-2 + 8e- = HS- + 4H2O - HS- -1 - H+ 9 - H2O -4 - SO4-2 1 - e- 8 CO3-2 + 10H+ + 8e- = CH4 + 3H2O CH4 -1 CO3-2 1 @@ -350,6 +339,12 @@ HS- = S-2 + H+ H2 -1 H+ 2 e- 2 +9H+ + SO4-2 + 8e- = HS- + 4H2O + HS- -1 + H+ 9 + H2O -4 + SO4-2 1 + e- 8 Na+ + X- = NaX NaX -1 Na+ 1 @@ -391,7 +386,7 @@ Halite = Cl- + Na+ Phase SI log IAP log K(T, P) Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.594e-04 -Gibbsite 0.00 8.11 8.11 1.000e+01 1.000e+01 2.000e-03 +Gibbsite -0.00 8.11 8.11 1.000e+01 1.000e+01 2.000e-03 Gypsum 0.00 -4.58 -4.58 1.000e+01 9.981e+00 -1.861e-02 Halite 0.00 1.57 1.57 1.000e+01 3.746e+00 -6.254e+00 @@ -449,7 +444,7 @@ X 1.000e+00 mol ----------------------------Description of solution---------------------------- pH = 6.912 Charge balance - pe = 12.287 Adjusted to redox equilibrium + pe = 12.381 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 244858 Density (g/cm³) = 1.20725 Volume (L) = 1.13172 @@ -462,7 +457,7 @@ X 1.000e+00 mol Temperature (°C) = 25.00 Electrical balance (eq) = -1.063e-02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.08 - Iterations = 37 + Iterations = 36 Total H = 1.110913e+02 Total O = 5.563117e+01 @@ -484,7 +479,7 @@ Al 3.719e-08 Al(SO4)2- 4.218e-16 2.246e-16 -15.375 -15.649 -0.274 (0) AlHSO4+2 2.498e-24 1.118e-21 -23.602 -20.951 2.651 (0) C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -134.973 -134.299 0.674 35.46 + CH4 0.000e+00 0.000e+00 -135.729 -135.056 0.674 35.46 C(4) 8.823e-05 CaHCO3+ 5.494e-05 3.337e-05 -4.260 -4.477 -0.216 123.05 HCO3- 2.484e-05 1.442e-05 -4.605 -4.841 -0.236 36.37 @@ -504,19 +499,18 @@ Cl 6.250e+00 Cl- 6.250e+00 3.865e+00 0.796 0.587 -0.209 20.20 HCl 2.213e-10 1.632e-07 -9.655 -6.787 2.868 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.221 -41.547 0.674 28.61 + H2 0.000e+00 0.000e+00 -42.410 -41.736 0.674 28.61 Na 5.338e+00 Na+ 5.320e+00 9.612e+00 0.726 0.983 0.257 1.41 NaSO4- 1.845e-02 1.080e-02 -1.734 -1.967 -0.233 34.63 NaHCO3 5.423e-06 1.207e-04 -5.266 -3.918 1.348 31.73 - NaOH 1.338e-17 6.312e-17 -16.874 -16.200 0.674 (0) -O(0) 1.386e-10 - O2 6.931e-11 3.270e-10 -10.159 -9.485 0.674 30.40 +O(0) 3.310e-10 + O2 1.655e-10 7.809e-10 -9.781 -9.107 0.674 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -130.280 -130.612 -0.332 23.02 - H2S 0.000e+00 0.000e+00 -131.256 -130.582 0.674 36.27 - S-2 0.000e+00 0.000e+00 -135.612 -136.618 -1.006 (0) - (H2S)2 0.000e+00 0.000e+00 -263.116 -262.443 0.674 30.09 + HS- 0.000e+00 0.000e+00 -131.036 -131.368 -0.332 23.02 + H2S 0.000e+00 0.000e+00 -132.012 -131.338 0.674 36.27 + S-2 0.000e+00 0.000e+00 -136.368 -137.374 -1.006 (0) + (H2S)2 0.000e+00 0.000e+00 -264.629 -263.955 0.674 30.09 S(6) 2.131e-02 NaSO4- 1.845e-02 1.080e-02 -1.734 -1.967 -0.233 34.63 CaSO4 1.560e-03 7.361e-03 -2.807 -2.133 0.674 7.50 @@ -535,17 +529,17 @@ S(6) 2.131e-02 Anhydrite -0.11 -4.38 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -131.50 -134.30 -2.80 CH4 + CH4(g) -132.25 -135.06 -2.80 CH4 CO2(g) -3.83 -5.30 -1.47 CO2 - Gibbsite 0.00 8.11 8.11 Al(OH)3 + Gibbsite -0.00 8.11 8.11 Al(OH)3 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O - H2(g) -38.45 -41.55 -3.10 H2 + H2(g) -38.63 -41.74 -3.10 H2 H2O(g) -1.60 -0.10 1.50 H2O - H2S(g) -129.59 -137.52 -7.94 H2S + H2S(g) -130.34 -138.28 -7.94 H2S Halite 0.00 1.57 1.57 NaCl Mirabilite -1.95 -3.19 -1.24 Na2SO4:10H2O - O2(g) -6.59 -9.49 -2.89 O2 - Sulfur -97.07 -92.19 4.88 S + O2(g) -6.22 -9.11 -2.89 O2 + Sulfur -97.63 -92.75 4.88 S Thenardite -1.90 -2.20 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. diff --git a/mytest/species_equation_101.sel b/mytest/species_equation_101.sel index e61d2a61c..991c12763 100644 --- a/mytest/species_equation_101.sel +++ b/mytest/species_equation_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.007892373609 662.2063830604 - 6.737868056115 244858.3475804926 + 0.007892373609 662.2063829000 + 6.737868056109 244858.3196829336 diff --git a/mytest/species_formula.out b/mytest/species_formula.out index 607047262..1aab1e4a5 100644 --- a/mytest/species_formula.out +++ b/mytest/species_formula.out @@ -95,7 +95,6 @@ H(0) 1.413e-25 Na 1.000e-03 Na+ 9.676e-04 8.828e-04 -3.014 -3.054 -0.040 -1.40 NaSO4- 3.239e-05 2.961e-05 -4.490 -4.529 -0.039 -15.88 - NaOH 8.918e-21 8.934e-21 -20.050 -20.049 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 S(6) 3.000e-03 @@ -300,11 +299,6 @@ HS- aq 2.10e-20 aq H 1 S 1 charge -1 -NaOH aq 2.93e-21 aq - H 1 - Na 1 - O 1 - charge 0 H2S aq 2.19e-21 aq H 2 S 1 @@ -478,7 +472,6 @@ H(0) 2.876e-14 Na 4.284e-05 Na+ 4.155e-05 3.798e-05 -4.381 -4.420 -0.039 -1.40 NaSO4- 1.284e-06 1.176e-06 -5.891 -5.930 -0.038 -16.01 - NaOH 2.928e-21 2.933e-21 -20.533 -20.533 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.698 -64.697 0.001 30.40 S(-2) 2.315e-20 diff --git a/mytest/species_formula_101.sel b/mytest/species_formula_101.sel index 28b7de0e5..e49341d88 100644 --- a/mytest/species_formula_101.sel +++ b/mytest/species_formula_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.007892373609 662.2063830604 - 0.007552726458 616.5115450210 + 0.007892373609 662.2063829000 + 0.007552726458 616.5115437967 diff --git a/mytest/spread_solution.out b/mytest/spread_solution.out index 42044cc37..2e48ac6e7 100644 --- a/mytest/spread_solution.out +++ b/mytest/spread_solution.out @@ -74,7 +74,7 @@ Initial solution 1. soln 1 Specific Conductance (µS/cm, 15°C) = 520 Density (g/cm³) = 1.00039 Volume (L) = 1.00013 - Viscosity (mPa s) = 1.14004 + Viscosity (mPa s) = 1.14080 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.888e-03 Mass of water (kg) = 1.000e+00 @@ -134,7 +134,6 @@ Na 1.000e-03 Na+ 9.821e-04 8.931e-04 -3.008 -3.049 -0.041 -1.94 NaSO4- 1.739e-05 1.585e-05 -4.760 -4.800 -0.040 -17.21 NaHCO3 5.175e-07 5.196e-07 -6.286 -6.284 0.002 31.82 - NaOH 4.095e-22 4.103e-22 -21.388 -21.387 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.507 -49.507 0.001 29.49 S(6) 2.000e-03 @@ -193,7 +192,7 @@ Initial solution 10. soln 10-11 Specific Conductance (µS/cm, 20°C) = 585 Density (g/cm³) = 0.99899 Volume (L) = 1.00144 - Viscosity (mPa s) = 1.00452 + Viscosity (mPa s) = 1.00461 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.817e-03 Mass of water (kg) = 1.000e+00 @@ -253,7 +252,6 @@ Na 1.000e-03 Na+ 9.815e-04 8.922e-04 -3.008 -3.050 -0.041 -1.64 NaSO4- 1.785e-05 1.626e-05 -4.748 -4.789 -0.041 -16.31 NaHCO3 6.006e-07 6.031e-07 -6.221 -6.220 0.002 31.78 - NaOH 6.132e-21 6.144e-21 -20.212 -20.212 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.765 -43.764 0.001 29.97 S(6) 2.000e-03 @@ -364,7 +362,7 @@ Initial solution 52. soln 1 Specific Conductance (µS/cm, 15°C) = 518 Density (g/cm³) = 0.99959 Volume (L) = 1.00093 - Viscosity (mPa s) = 1.14100 + Viscosity (mPa s) = 1.14176 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.889e-03 Mass of water (kg) = 1.000e+00 @@ -424,7 +422,6 @@ Na 1.000e-03 Na+ 9.825e-04 8.934e-04 -3.008 -3.049 -0.041 -1.99 NaSO4- 1.700e-05 1.549e-05 -4.769 -4.810 -0.040 -17.56 NaHCO3 5.213e-07 5.234e-07 -6.283 -6.281 0.002 31.82 - NaOH 4.049e-22 4.058e-22 -21.393 -21.392 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.510 -49.509 0.001 29.50 S(6) 2.000e-03 diff --git a/mytest/spread_solution_101.sel b/mytest/spread_solution_101.sel index 5e6b2787f..385bc20ff 100644 --- a/mytest/spread_solution_101.sel +++ b/mytest/spread_solution_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.008888336143 520.1591426216 - 0.008816877560 585.4073641956 - 0.000000102987 0.0559072287 - 0.008889385311 518.8090955034 + 0.008888336143 520.0038063215 + 0.008816877560 585.3848011794 + 0.000000102987 0.0559072288 + 0.008889385311 518.6531252165 diff --git a/mytest/ss_incr.out b/mytest/ss_incr.out index 14cc10577..24b1b5896 100644 --- a/mytest/ss_incr.out +++ b/mytest/ss_incr.out @@ -136,10 +136,10 @@ Reaction 1. pH = 12.221 Charge balance pe = -6.271 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6029 + Specific Conductance (µS/cm, 25°C) = 6028 Density (g/cm³) = 1.00043 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.90285 + Viscosity (mPa s) = 0.90333 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.295e-02 Mass of water (kg) = 1.001e+00 @@ -287,7 +287,7 @@ nn 1.02e-02 Specific Conductance (µS/cm, 25°C) = 1112 Density (g/cm³) = 0.99757 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89297 + Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.081e-02 Mass of water (kg) = 1.000e+00 @@ -410,7 +410,7 @@ nn 7.37e-03 Specific Conductance (µS/cm, 25°C) = 2473 Density (g/cm³) = 0.99839 Volume (L) = 1.00329 - Viscosity (mPa s) = 0.89434 + Viscosity (mPa s) = 0.89441 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.693e-02 Mass of water (kg) = 1.000e+00 @@ -744,10 +744,10 @@ Reaction 1. pH = 12.221 Charge balance pe = -6.271 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6029 + Specific Conductance (µS/cm, 25°C) = 6028 Density (g/cm³) = 1.00043 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.90285 + Viscosity (mPa s) = 0.90333 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.295e-02 Mass of water (kg) = 1.001e+00 diff --git a/mytest/ss_incr_101.sel b/mytest/ss_incr_101.sel index 8f9a59d3b..899a90fcd 100644 --- a/mytest/ss_incr_101.sel +++ b/mytest/ss_incr_101.sel @@ -1,8 +1,8 @@ Mu SC 1.00644e-07 5.47821e-02 - 6.29523e-02 6.02984e+03 - 1.08098e-02 1.11227e+03 - 2.69324e-02 2.47365e+03 + 6.29523e-02 6.02887e+03 + 1.08098e-02 1.11224e+03 + 2.69324e-02 2.47357e+03 2.48433e-02 1.01751e+04 4.75670e-02 3.38140e+03 - 6.29523e-02 6.02984e+03 + 6.29523e-02 6.02887e+03 diff --git a/mytest/ss_kinetics.out b/mytest/ss_kinetics.out index a3e43b1f0..c0770b570 100644 --- a/mytest/ss_kinetics.out +++ b/mytest/ss_kinetics.out @@ -277,7 +277,6 @@ Mg 1.530e-08 MgOH+ 5.067e-13 5.065e-13 -12.295 -12.295 -0.000 (0) Na 3.400e-09 Na+ 3.400e-09 3.398e-09 -8.469 -8.469 -0.000 -1.52 - NaOH 3.142e-26 3.142e-26 -25.503 -25.503 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.683 -64.683 0.000 30.40 Si 1.600e-07 @@ -493,7 +492,6 @@ Mg 2.779e-17 MgOH+ 9.190e-22 9.185e-22 -21.037 -21.037 -0.000 (0) Na 4.158e-08 Na+ 4.158e-08 4.156e-08 -7.381 -7.381 -0.000 -1.52 - NaOH 3.836e-25 3.836e-25 -24.416 -24.416 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.189 -65.189 0.000 30.40 Si 1.636e-07 @@ -566,10 +564,10 @@ X_montm_mg 1.000e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 4.000e-03 1.360e-03 4.000e-01 0.000 - Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 0.000 - Mg0.17X_montm_mg 1.000e-03 3.400e-04 1.000e-01 0.000 + Na0.34X_montm_mg 4.000e-03 1.360e-03 4.000e-01 -0.000 + Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 -0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 -0.000 + Mg0.17X_montm_mg 1.000e-03 3.400e-04 1.000e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -627,7 +625,6 @@ Mg 3.203e-17 MgOH+ 1.053e-21 1.052e-21 -20.978 -20.978 -0.000 (0) Na 4.463e-08 Na+ 4.463e-08 4.461e-08 -7.350 -7.351 -0.000 -1.52 - NaOH 4.093e-25 4.093e-25 -24.388 -24.388 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.579 -65.579 0.000 30.40 Si 1.756e-07 @@ -729,7 +726,7 @@ X_montm_mg 1.000e-02 mol Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 4.438e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.826e-16 + Electrical balance (eq) = 2.827e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 (42 overall) Total H = 1.110124e+02 @@ -761,7 +758,6 @@ Mg 9.083e-17 MgOH+ 2.824e-21 2.822e-21 -20.549 -20.549 -0.000 (0) Na 7.514e-08 Na+ 7.514e-08 7.510e-08 -7.124 -7.124 -0.000 -1.52 - NaOH 6.519e-25 6.519e-25 -24.186 -24.186 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.435 -65.435 0.000 30.40 Si 2.959e-07 @@ -825,7 +821,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 0.000e+00 1.514e-08 1.514e-08 +Kaolinite 0.00 7.44 7.43 0.000e+00 1.514e-08 1.514e-08 -----------------------------Exchange composition------------------------------ @@ -853,7 +849,7 @@ X_montm_mg 1.000e-02 mol ----------------------------Description of solution---------------------------- pH = 6.821 Charge balance - pe = -1.695 Adjusted to redox equilibrium + pe = -1.696 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -886,8 +882,8 @@ Al 5.923e-07 Ca 1.560e-09 Ca+2 1.560e-09 1.554e-09 -8.807 -8.808 -0.002 -18.25 CaOH+ 1.708e-15 1.707e-15 -14.767 -14.768 -0.000 (0) -H(0) 7.947e-14 - H2 3.973e-14 3.973e-14 -13.401 -13.401 0.000 28.61 +H(0) 7.975e-14 + H2 3.988e-14 3.988e-14 -13.399 -13.399 0.000 28.61 K 9.641e-10 K+ 9.641e-10 9.633e-10 -9.016 -9.016 -0.000 8.98 Mg 2.317e-15 @@ -895,9 +891,8 @@ Mg 2.317e-15 MgOH+ 5.552e-20 5.547e-20 -19.256 -19.256 -0.000 (0) Na 3.784e-07 Na+ 3.784e-07 3.781e-07 -6.422 -6.422 -0.000 -1.52 - NaOH 2.532e-24 2.532e-24 -23.596 -23.596 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.578 -65.578 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.581 -65.581 0.000 30.40 Si 1.470e-06 H4SiO4 1.468e-06 1.468e-06 -5.833 -5.833 0.000 52.08 H3SiO4- 1.434e-09 1.433e-09 -8.843 -8.844 -0.000 27.94 @@ -920,7 +915,7 @@ Si 1.470e-06 Illite -11.88 -52.15 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -12.24 -32.81 -20.57 KAlSi3O8 K-mica -3.75 8.96 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -11.22 -7.00 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -11.39 -8.56 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -11.69 -7.99 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 @@ -968,10 +963,10 @@ X_montm_mg 9.999e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.997e-03 1.359e-03 3.997e-01 -0.000 - Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 -0.000 - Mg0.17X_montm_mg 1.002e-03 3.407e-04 1.002e-01 -0.000 + Na0.34X_montm_mg 3.997e-03 1.359e-03 3.997e-01 0.000 + Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 0.000 + Mg0.17X_montm_mg 1.002e-03 3.407e-04 1.002e-01 0.000 -----------------------------Solution composition------------------------------ @@ -1020,8 +1015,8 @@ Al 8.404e-07 Ca 1.054e-08 Ca+2 1.054e-08 1.049e-08 -7.977 -7.979 -0.002 -18.25 CaOH+ 3.946e-14 3.941e-14 -13.404 -13.404 -0.001 (0) -H(0) 9.340e-14 - H2 4.670e-14 4.670e-14 -13.331 -13.331 0.000 28.61 +H(0) 9.359e-14 + H2 4.679e-14 4.679e-14 -13.330 -13.330 0.000 28.61 K 2.505e-09 K+ 2.505e-09 2.502e-09 -8.601 -8.602 -0.001 8.98 Mg 1.577e-14 @@ -1029,9 +1024,8 @@ Mg 1.577e-14 MgOH+ 1.292e-18 1.290e-18 -17.889 -17.889 -0.001 (0) Na 9.820e-07 Na+ 9.820e-07 9.808e-07 -6.008 -6.008 -0.001 -1.52 - NaOH 2.248e-23 2.248e-23 -22.648 -22.648 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.719 -65.719 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.720 -65.720 0.000 30.40 Si 3.147e-06 H4SiO4 3.137e-06 3.137e-06 -5.504 -5.504 0.000 52.08 H3SiO4- 1.049e-08 1.047e-08 -7.979 -7.980 -0.001 27.94 @@ -1102,10 +1096,10 @@ X_montm_mg 9.998e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.995e-03 1.358e-03 3.996e-01 0.000 - Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 0.000 - Mg0.17X_montm_mg 1.003e-03 3.411e-04 1.003e-01 0.000 + Na0.34X_montm_mg 3.995e-03 1.358e-03 3.996e-01 -0.000 + Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 -0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 -0.000 + Mg0.17X_montm_mg 1.003e-03 3.411e-04 1.003e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -1121,7 +1115,7 @@ X_montm_mg 9.998e-03 mol ----------------------------Description of solution---------------------------- pH = 7.689 Charge balance - pe = -2.554 Adjusted to redox equilibrium + pe = -2.555 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1154,8 +1148,8 @@ Al 1.147e-06 Ca 2.744e-08 Ca+2 2.744e-08 2.727e-08 -7.562 -7.564 -0.003 -18.25 CaOH+ 2.216e-13 2.212e-13 -12.655 -12.655 -0.001 (0) -H(0) 7.606e-14 - H2 3.803e-14 3.803e-14 -13.420 -13.420 0.000 28.61 +H(0) 7.642e-14 + H2 3.821e-14 3.821e-14 -13.418 -13.418 0.000 28.61 K 4.041e-09 K+ 4.041e-09 4.035e-09 -8.393 -8.394 -0.001 8.98 Mg 4.137e-14 @@ -1163,9 +1157,8 @@ Mg 4.137e-14 MgOH+ 7.306e-18 7.295e-18 -17.136 -17.137 -0.001 (0) Na 1.582e-06 Na+ 1.582e-06 1.580e-06 -5.801 -5.801 -0.001 -1.52 - NaOH 7.816e-23 7.816e-23 -22.107 -22.107 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.540 -65.540 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.544 -65.544 0.000 30.40 Si 4.911e-06 H4SiO4 4.876e-06 4.876e-06 -5.312 -5.312 0.000 52.08 H3SiO4- 3.520e-08 3.514e-08 -7.453 -7.454 -0.001 27.95 @@ -1236,10 +1229,10 @@ X_montm_mg 9.997e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.993e-03 1.358e-03 3.994e-01 0.000 - Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 0.000 - Mg0.17X_montm_mg 1.005e-03 3.418e-04 1.005e-01 0.000 + Na0.34X_montm_mg 3.993e-03 1.358e-03 3.994e-01 -0.000 + Ca0.17X_montm_mg 3.000e-03 1.020e-03 3.000e-01 -0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 -0.000 + Mg0.17X_montm_mg 1.005e-03 3.418e-04 1.005e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -1288,8 +1281,8 @@ Al 1.524e-06 Ca 6.792e-08 Ca+2 6.792e-08 6.739e-08 -7.168 -7.171 -0.003 -18.25 CaOH+ 1.118e-12 1.116e-12 -11.952 -11.952 -0.001 (0) -H(0) 9.474e-14 - H2 4.737e-14 4.737e-14 -13.325 -13.325 0.000 28.61 +H(0) 9.480e-14 + H2 4.740e-14 4.740e-14 -13.324 -13.324 0.000 28.61 K 6.357e-09 K+ 6.357e-09 6.345e-09 -8.197 -8.198 -0.001 8.98 Mg 1.036e-13 @@ -1297,9 +1290,8 @@ Mg 1.036e-13 MgOH+ 3.730e-17 3.723e-17 -16.428 -16.429 -0.001 (0) Na 2.484e-06 Na+ 2.484e-06 2.479e-06 -5.605 -5.606 -0.001 -1.52 - NaOH 2.503e-22 2.503e-22 -21.602 -21.602 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.731 -65.731 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.732 -65.732 0.000 30.40 Si 7.549e-06 H4SiO4 7.439e-06 7.439e-06 -5.128 -5.128 0.000 52.08 H3SiO4- 1.096e-07 1.094e-07 -6.960 -6.961 -0.001 27.95 @@ -1361,7 +1353,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 1.375e-06 2.059e-06 6.842e-07 +Kaolinite 0.00 7.44 7.43 1.375e-06 2.059e-06 6.842e-07 -----------------------------Exchange composition------------------------------ @@ -1370,10 +1362,10 @@ X_montm_mg 9.996e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.990e-03 1.357e-03 3.991e-01 -0.000 - Ca0.17X_montm_mg 2.999e-03 1.020e-03 3.000e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 -0.000 - Mg0.17X_montm_mg 1.007e-03 3.424e-04 1.008e-01 -0.000 + Na0.34X_montm_mg 3.990e-03 1.357e-03 3.991e-01 0.000 + Ca0.17X_montm_mg 2.999e-03 1.020e-03 3.000e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 0.000 + Mg0.17X_montm_mg 1.007e-03 3.424e-04 1.008e-01 0.000 -----------------------------Solution composition------------------------------ @@ -1389,7 +1381,7 @@ X_montm_mg 9.996e-03 mol ----------------------------Description of solution---------------------------- pH = 8.201 Charge balance - pe = -3.136 Adjusted to redox equilibrium + pe = -3.116 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1422,8 +1414,8 @@ Al 1.813e-06 Ca 1.265e-07 Ca+2 1.264e-07 1.253e-07 -6.898 -6.902 -0.004 -18.25 CaOH+ 3.310e-12 3.303e-12 -11.480 -11.481 -0.001 (0) -H(0) 1.048e-13 - H2 5.240e-14 5.241e-14 -13.281 -13.281 0.000 28.61 +H(0) 9.568e-14 + H2 4.784e-14 4.784e-14 -13.320 -13.320 0.000 28.61 K 8.674e-09 K+ 8.674e-09 8.655e-09 -8.062 -8.063 -0.001 8.98 Mg 1.954e-13 @@ -1431,9 +1423,8 @@ Mg 1.954e-13 MgOH+ 1.118e-16 1.116e-16 -15.951 -15.952 -0.001 (0) Na 3.383e-06 Na+ 3.383e-06 3.375e-06 -5.471 -5.472 -0.001 -1.52 - NaOH 5.425e-22 5.425e-22 -21.266 -21.266 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.819 -65.819 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.740 -65.740 0.000 30.40 Si 1.017e-05 H4SiO4 9.940e-06 9.940e-06 -5.003 -5.003 0.000 52.08 H3SiO4- 2.333e-07 2.328e-07 -6.632 -6.633 -0.001 27.95 @@ -1451,17 +1442,17 @@ Si 1.017e-05 Chlorite(14A) -47.51 20.87 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -31.14 1.06 32.20 Mg3Si2O5(OH)4 Gibbsite 0.61 8.72 8.11 Al(OH)3 - H2(g) -10.18 -13.28 -3.10 H2 + H2(g) -10.22 -13.32 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -8.31 -48.58 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -8.24 -28.81 -20.57 KAlSi3O8 K-mica -1.41 11.29 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -6.89 -2.67 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -7.06 -4.23 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -7.36 -3.65 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -6.76 -3.35 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.93 -65.82 -2.89 O2 + O2(g) -62.85 -65.74 -2.89 O2 Quartz -1.02 -5.00 -3.98 SiO2 Sepiolite -23.39 -7.63 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -26.29 -7.63 18.66 Mg2Si3O7.5OH:3H2O @@ -1495,7 +1486,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 2.059e-06 2.799e-06 7.395e-07 +Kaolinite 0.00 7.44 7.43 2.059e-06 2.799e-06 7.395e-07 -----------------------------Exchange composition------------------------------ @@ -1523,7 +1514,7 @@ X_montm_mg 9.995e-03 mol ----------------------------Description of solution---------------------------- pH = 8.347 Charge balance - pe = -3.253 Adjusted to redox equilibrium + pe = -3.164 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1556,8 +1547,8 @@ Al 2.036e-06 Ca 2.026e-07 Ca+2 2.026e-07 2.005e-07 -6.693 -6.698 -0.004 -18.25 CaOH+ 7.419e-12 7.400e-12 -11.130 -11.131 -0.001 (0) -H(0) 9.190e-14 - H2 4.595e-14 4.595e-14 -13.338 -13.338 0.000 28.61 +H(0) 6.079e-14 + H2 3.039e-14 3.039e-14 -13.517 -13.517 0.000 28.61 K 1.098e-08 K+ 1.098e-08 1.095e-08 -7.959 -7.961 -0.001 8.98 Mg 3.171e-13 @@ -1565,9 +1556,8 @@ Mg 3.171e-13 MgOH+ 2.539e-16 2.532e-16 -15.595 -15.596 -0.001 (0) Na 4.274e-06 Na+ 4.274e-06 4.263e-06 -5.369 -5.370 -0.001 -1.52 - NaOH 9.596e-22 9.596e-22 -21.018 -21.018 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.705 -65.705 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.346 -65.346 0.000 30.40 Si 1.280e-05 H4SiO4 1.239e-05 1.239e-05 -4.907 -4.907 0.000 52.08 H3SiO4- 4.073e-07 4.062e-07 -6.390 -6.391 -0.001 27.95 @@ -1585,17 +1575,17 @@ Si 1.280e-05 Chlorite(14A) -44.90 23.48 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -29.44 2.76 32.20 Mg3Si2O5(OH)4 Gibbsite 0.51 8.62 8.11 Al(OH)3 - H2(g) -10.24 -13.34 -3.10 H2 + H2(g) -10.42 -13.52 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -7.92 -48.19 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -7.80 -28.38 -20.57 KAlSi3O8 K-mica -1.16 11.54 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -6.41 -2.19 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -6.59 -3.76 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -6.88 -3.17 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -6.29 -2.87 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.81 -65.70 -2.89 O2 + O2(g) -62.45 -65.35 -2.89 O2 Quartz -0.93 -4.91 -3.98 SiO2 Sepiolite -22.10 -6.34 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -25.00 -6.34 18.66 Mg2Si3O7.5OH:3H2O @@ -1638,10 +1628,10 @@ X_montm_mg 9.994e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.985e-03 1.355e-03 3.987e-01 0.000 - Ca0.17X_montm_mg 2.998e-03 1.019e-03 3.000e-01 0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 0.000 - Mg0.17X_montm_mg 1.011e-03 3.438e-04 1.012e-01 0.000 + Na0.34X_montm_mg 3.985e-03 1.355e-03 3.987e-01 -0.000 + Ca0.17X_montm_mg 2.998e-03 1.019e-03 3.000e-01 -0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 -0.000 + Mg0.17X_montm_mg 1.011e-03 3.438e-04 1.012e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -1657,7 +1647,7 @@ X_montm_mg 9.994e-03 mol ----------------------------Description of solution---------------------------- pH = 8.460 Charge balance - pe = -3.313 Adjusted to redox equilibrium + pe = -3.144 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 0 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1690,8 +1680,8 @@ Al 2.209e-06 Ca 2.956e-07 Ca+2 2.956e-07 2.922e-07 -6.529 -6.534 -0.005 -18.25 CaOH+ 1.402e-11 1.398e-11 -10.853 -10.854 -0.001 (0) -H(0) 7.186e-14 - H2 3.593e-14 3.593e-14 -13.445 -13.445 0.000 28.61 +H(0) 3.306e-14 + H2 1.653e-14 1.653e-14 -13.782 -13.782 0.000 28.61 K 1.327e-08 K+ 1.327e-08 1.323e-08 -7.877 -7.878 -0.001 8.98 Mg 4.691e-13 @@ -1699,9 +1689,8 @@ Mg 4.691e-13 MgOH+ 4.863e-16 4.849e-16 -15.313 -15.314 -0.001 (0) Na 5.154e-06 Na+ 5.154e-06 5.140e-06 -5.288 -5.289 -0.001 -1.52 - NaOH 1.500e-21 1.500e-21 -20.824 -20.824 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.491 -65.491 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.817 -64.817 0.000 30.40 Si 1.542e-05 H4SiO4 1.479e-05 1.479e-05 -4.830 -4.830 0.000 52.08 H3SiO4- 6.306e-07 6.288e-07 -6.200 -6.202 -0.001 27.95 @@ -1719,7 +1708,7 @@ Si 1.542e-05 Chlorite(14A) -42.85 25.53 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -28.10 4.10 32.20 Mg3Si2O5(OH)4 Gibbsite 0.44 8.55 8.11 Al(OH)3 - H2(g) -10.34 -13.44 -3.10 H2 + H2(g) -10.68 -13.78 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -7.61 -47.88 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -7.45 -28.03 -20.57 KAlSi3O8 @@ -1729,7 +1718,7 @@ Si 1.542e-05 Montmorillonite(MgK) -6.20 -3.37 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -6.50 -2.79 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -5.91 -2.49 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.60 -65.49 -2.89 O2 + O2(g) -61.92 -64.82 -2.89 O2 Quartz -0.85 -4.83 -3.98 SiO2 Sepiolite -21.08 -5.32 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -23.98 -5.32 18.66 Mg2Si3O7.5OH:3H2O @@ -1791,7 +1780,7 @@ X_montm_mg 9.991e-03 mol ----------------------------Description of solution---------------------------- pH = 8.708 Charge balance - pe = -3.585 Adjusted to redox equilibrium + pe = -3.383 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1 Density (g/cm³) = 0.99704 Volume (L) = 1.00297 @@ -1824,8 +1813,8 @@ Al 2.566e-06 Ca 7.178e-07 Ca+2 7.178e-07 7.072e-07 -6.144 -6.150 -0.006 -18.24 CaOH+ 6.013e-11 5.991e-11 -10.221 -10.223 -0.002 (0) -H(0) 8.052e-14 - H2 4.026e-14 4.026e-14 -13.395 -13.395 0.000 28.61 +H(0) 3.172e-14 + H2 1.586e-14 1.586e-14 -13.800 -13.800 0.000 28.61 K 2.071e-08 K+ 2.071e-08 2.063e-08 -7.684 -7.686 -0.002 8.98 Mg 1.194e-12 @@ -1833,9 +1822,8 @@ Mg 1.194e-12 MgOH+ 2.185e-15 2.177e-15 -14.660 -14.662 -0.002 (0) Na 7.995e-06 Na+ 7.995e-06 7.965e-06 -5.097 -5.099 -0.002 -1.52 - NaOH 4.115e-21 4.115e-21 -20.386 -20.386 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.590 -65.590 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.781 -64.781 0.000 30.40 Si 2.425e-05 H4SiO4 2.255e-05 2.255e-05 -4.647 -4.647 0.000 52.08 H3SiO4- 1.703e-06 1.697e-06 -5.769 -5.770 -0.002 27.95 @@ -1853,7 +1841,7 @@ Si 2.425e-05 Chlorite(14A) -38.16 30.22 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -25.04 7.16 32.20 Mg3Si2O5(OH)4 Gibbsite 0.25 8.36 8.11 Al(OH)3 - H2(g) -10.29 -13.40 -3.10 H2 + H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -6.90 -47.17 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -6.65 -27.22 -20.57 KAlSi3O8 @@ -1863,7 +1851,7 @@ Si 2.425e-05 Montmorillonite(MgK) -5.32 -2.49 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -5.61 -1.90 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -5.02 -1.61 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.70 -65.59 -2.89 O2 + O2(g) -61.89 -64.78 -2.89 O2 Quartz -0.67 -4.65 -3.98 SiO2 Sepiolite -18.73 -2.97 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -21.63 -2.97 18.66 Mg2Si3O7.5OH:3H2O @@ -1906,10 +1894,10 @@ X_montm_mg 9.987e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.969e-03 1.349e-03 3.974e-01 -0.000 - Ca0.17X_montm_mg 2.992e-03 1.017e-03 2.996e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.003e-01 -0.000 - Mg0.17X_montm_mg 1.026e-03 3.489e-04 1.027e-01 -0.000 + Na0.34X_montm_mg 3.969e-03 1.349e-03 3.974e-01 0.000 + Ca0.17X_montm_mg 2.992e-03 1.017e-03 2.996e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.003e-01 0.000 + Mg0.17X_montm_mg 1.026e-03 3.489e-04 1.027e-01 0.000 -----------------------------Solution composition------------------------------ @@ -1925,7 +1913,7 @@ X_montm_mg 9.987e-03 mol ----------------------------Description of solution---------------------------- pH = 8.859 Charge balance - pe = -3.757 Adjusted to redox equilibrium + pe = -3.565 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 2 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -1958,8 +1946,8 @@ Al 2.732e-06 Ca 1.291e-06 Ca+2 1.291e-06 1.268e-06 -5.889 -5.897 -0.008 -18.24 CaOH+ 1.529e-10 1.522e-10 -9.816 -9.818 -0.002 (0) -H(0) 8.855e-14 - H2 4.428e-14 4.428e-14 -13.354 -13.354 0.000 28.61 +H(0) 3.657e-14 + H2 1.828e-14 1.828e-14 -13.738 -13.738 0.000 28.61 K 2.784e-08 K+ 2.784e-08 2.772e-08 -7.555 -7.557 -0.002 8.98 Mg 2.260e-12 @@ -1967,9 +1955,8 @@ Mg 2.260e-12 MgOH+ 5.840e-15 5.814e-15 -14.234 -14.235 -0.002 (0) Na 1.069e-05 Na+ 1.069e-05 1.064e-05 -4.971 -4.973 -0.002 -1.52 - NaOH 7.787e-21 7.788e-21 -20.109 -20.109 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.672 -65.672 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.904 -64.904 0.000 30.40 Si 3.324e-05 H4SiO4 3.002e-05 3.002e-05 -4.523 -4.523 0.000 52.08 H3SiO4- 3.215e-06 3.201e-06 -5.493 -5.495 -0.002 27.95 @@ -1987,7 +1974,7 @@ Si 3.324e-05 Chlorite(14A) -35.15 33.23 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -23.05 9.15 32.20 Mg3Si2O5(OH)4 Gibbsite 0.13 8.24 8.11 Al(OH)3 - H2(g) -10.25 -13.35 -3.10 H2 + H2(g) -10.64 -13.74 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -6.44 -46.71 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -6.12 -26.69 -20.57 KAlSi3O8 @@ -1997,7 +1984,7 @@ Si 3.324e-05 Montmorillonite(MgK) -4.74 -1.91 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -5.03 -1.32 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -4.44 -1.03 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.78 -65.67 -2.89 O2 + O2(g) -62.01 -64.90 -2.89 O2 Quartz -0.54 -4.52 -3.98 SiO2 Sepiolite -17.20 -1.44 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -20.10 -1.44 18.66 Mg2Si3O7.5OH:3H2O @@ -2031,7 +2018,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 9.454e-06 1.264e-05 3.185e-06 +Kaolinite -0.00 7.43 7.43 9.454e-06 1.264e-05 3.185e-06 -----------------------------Exchange composition------------------------------ @@ -2059,7 +2046,7 @@ X_montm_mg 9.983e-03 mol ----------------------------Description of solution---------------------------- pH = 8.964 Charge balance - pe = -3.871 Adjusted to redox equilibrium + pe = -3.588 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 2 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -2092,8 +2079,8 @@ Al 2.801e-06 Ca 1.990e-06 Ca+2 1.990e-06 1.949e-06 -5.701 -5.710 -0.009 -18.24 CaOH+ 2.994e-10 2.978e-10 -9.524 -9.526 -0.002 (0) -H(0) 9.209e-14 - H2 4.605e-14 4.605e-14 -13.337 -13.337 0.000 28.61 +H(0) 2.505e-14 + H2 1.252e-14 1.252e-14 -13.902 -13.902 0.000 28.61 K 3.468e-08 K+ 3.468e-08 3.450e-08 -7.460 -7.462 -0.002 8.98 Mg 3.673e-12 @@ -2101,9 +2088,8 @@ Mg 3.673e-12 MgOH+ 1.205e-14 1.199e-14 -13.919 -13.921 -0.002 (0) Na 1.324e-05 Na+ 1.324e-05 1.317e-05 -4.878 -4.880 -0.002 -1.52 - NaOH 1.227e-20 1.227e-20 -19.911 -19.911 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.706 -65.706 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.575 -64.575 0.000 30.40 Si 4.238e-05 H4SiO4 3.729e-05 3.729e-05 -4.428 -4.428 0.000 52.08 H3SiO4- 5.088e-06 5.062e-06 -5.293 -5.296 -0.002 27.95 @@ -2121,17 +2107,17 @@ Si 4.238e-05 Chlorite(14A) -32.96 35.42 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -21.61 10.59 32.20 Mg3Si2O5(OH)4 Gibbsite 0.04 8.15 8.11 Al(OH)3 - H2(g) -10.24 -13.34 -3.10 H2 + H2(g) -10.80 -13.90 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -6.10 -46.37 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -5.73 -26.30 -20.57 KAlSi3O8 K-mica -0.05 12.65 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -4.13 0.09 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -4.31 -1.48 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -4.59 -0.89 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -4.01 -0.60 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.81 -65.71 -2.89 O2 + O2(g) -61.68 -64.58 -2.89 O2 Quartz -0.45 -4.43 -3.98 SiO2 Sepiolite -16.08 -0.32 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -18.98 -0.32 18.66 Mg2Si3O7.5OH:3H2O @@ -2174,10 +2160,10 @@ X_montm_mg 9.971e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.941e-03 1.340e-03 3.952e-01 -0.000 - Ca0.17X_montm_mg 2.973e-03 1.011e-03 2.981e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.799e-04 2.006e-01 -0.000 - Mg0.17X_montm_mg 1.058e-03 3.597e-04 1.061e-01 -0.000 + Na0.34X_montm_mg 3.941e-03 1.340e-03 3.952e-01 0.000 + Ca0.17X_montm_mg 2.973e-03 1.011e-03 2.981e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.799e-04 2.006e-01 0.000 + Mg0.17X_montm_mg 1.058e-03 3.597e-04 1.061e-01 0.000 -----------------------------Solution composition------------------------------ @@ -2193,7 +2179,7 @@ X_montm_mg 9.971e-03 mol ----------------------------Description of solution---------------------------- pH = 9.153 Charge balance - pe = -4.027 Adjusted to redox equilibrium + pe = -3.825 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 4 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -2226,8 +2212,8 @@ Al 2.771e-06 Ca 4.649e-06 Ca+2 4.648e-06 4.523e-06 -5.333 -5.345 -0.012 -18.23 CaOH+ 1.074e-09 1.067e-09 -8.969 -8.972 -0.003 (0) -H(0) 7.952e-14 - H2 3.976e-14 3.976e-14 -13.401 -13.401 0.000 28.61 +H(0) 3.130e-14 + H2 1.565e-14 1.565e-14 -13.805 -13.805 0.000 28.61 K 5.373e-08 K+ 5.373e-08 5.337e-08 -7.270 -7.273 -0.003 8.98 Mg 1.015e-11 @@ -2235,9 +2221,8 @@ Mg 1.015e-11 MgOH+ 5.109e-14 5.074e-14 -13.292 -13.295 -0.003 (0) Na 2.020e-05 Na+ 2.020e-05 2.007e-05 -4.695 -4.698 -0.003 -1.51 - NaOH 2.887e-20 2.887e-20 -19.540 -19.540 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.579 -65.579 0.000 30.40 + O2 0.000e+00 0.000e+00 -64.769 -64.769 0.000 30.40 Si 7.058e-05 H4SiO4 5.828e-05 5.828e-05 -4.235 -4.235 0.000 52.08 H3SiO4- 1.230e-05 1.221e-05 -4.910 -4.913 -0.003 27.95 @@ -2255,7 +2240,7 @@ Si 7.058e-05 Chlorite(14A) -28.69 39.69 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -18.78 13.43 32.20 Mg3Si2O5(OH)4 Gibbsite -0.16 7.95 8.11 Al(OH)3 - H2(g) -10.30 -13.40 -3.10 H2 + H2(g) -10.70 -13.81 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -5.44 -45.71 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -4.96 -25.54 -20.57 KAlSi3O8 @@ -2265,7 +2250,7 @@ Si 7.058e-05 Montmorillonite(MgK) -3.45 -0.62 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -3.72 -0.02 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -3.15 0.26 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.69 -65.58 -2.89 O2 + O2(g) -61.88 -64.77 -2.89 O2 Quartz -0.25 -4.23 -3.98 SiO2 Sepiolite -13.87 1.89 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -16.77 1.89 18.66 Mg2Si3O7.5OH:3H2O @@ -2299,7 +2284,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 2.266e-05 4.364e-05 2.098e-05 +Kaolinite -0.00 7.43 7.43 2.266e-05 4.364e-05 2.098e-05 -----------------------------Exchange composition------------------------------ @@ -2308,10 +2293,10 @@ X_montm_mg 9.946e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.906e-03 1.328e-03 3.927e-01 -0.000 - Ca0.17X_montm_mg 2.932e-03 9.970e-04 2.948e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.799e-04 2.011e-01 -0.000 - Mg0.17X_montm_mg 1.108e-03 3.768e-04 1.114e-01 -0.000 + Na0.34X_montm_mg 3.906e-03 1.328e-03 3.927e-01 0.000 + Ca0.17X_montm_mg 2.932e-03 9.970e-04 2.948e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.799e-04 2.011e-01 0.000 + Mg0.17X_montm_mg 1.108e-03 3.768e-04 1.114e-01 0.000 -----------------------------Solution composition------------------------------ @@ -2327,7 +2312,7 @@ X_montm_mg 9.946e-03 mol ----------------------------Description of solution---------------------------- pH = 9.327 Charge balance - pe = -4.287 Adjusted to redox equilibrium + pe = -4.079 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 7 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 @@ -2360,8 +2345,8 @@ Al 2.468e-06 Ca 1.148e-05 Ca+2 1.148e-05 1.105e-05 -4.940 -4.957 -0.016 -18.22 CaOH+ 3.931e-09 3.894e-09 -8.406 -8.410 -0.004 (0) -H(0) 1.176e-13 - H2 5.878e-14 5.878e-14 -13.231 -13.231 0.000 28.61 +H(0) 4.509e-14 + H2 2.254e-14 2.255e-14 -13.647 -13.647 0.000 28.61 K 8.764e-08 K+ 8.764e-08 8.681e-08 -7.057 -7.061 -0.004 8.99 Mg 3.576e-11 @@ -2369,9 +2354,8 @@ Mg 3.576e-11 MgOH+ 2.660e-13 2.635e-13 -12.575 -12.579 -0.004 (0) Na 3.210e-05 Na+ 3.210e-05 3.180e-05 -4.493 -4.498 -0.004 -1.51 - NaOH 6.834e-20 6.834e-20 -19.165 -19.165 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.918 -65.918 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.086 -65.086 0.000 30.40 Si 1.290e-04 H4SiO4 9.801e-05 9.801e-05 -4.009 -4.009 0.000 52.08 H3SiO4- 3.098e-05 3.068e-05 -4.509 -4.513 -0.004 27.95 @@ -2389,17 +2373,17 @@ Si 1.290e-04 Chlorite(14A) -24.02 44.36 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -15.66 16.55 32.20 Mg3Si2O5(OH)4 Gibbsite -0.38 7.73 8.11 Al(OH)3 - H2(g) -10.13 -13.23 -3.10 H2 + H2(g) -10.55 -13.65 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -4.72 -44.98 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -4.13 -24.70 -20.57 KAlSi3O8 K-mica 0.72 13.42 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -2.32 1.90 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -2.49 0.34 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -2.74 0.97 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -2.19 1.22 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -63.03 -65.92 -2.89 O2 + O2(g) -62.19 -65.09 -2.89 O2 Quartz -0.03 -4.01 -3.98 SiO2 Sepiolite -11.41 4.35 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -14.31 4.35 18.66 Mg2Si3O7.5OH:3H2O @@ -2442,10 +2426,10 @@ X_montm_mg 9.905e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.858e-03 1.312e-03 3.895e-01 0.000 - Ca0.17X_montm_mg 2.857e-03 9.714e-04 2.885e-01 0.000 - K0.34X_montm_mg 2.000e-03 6.799e-04 2.019e-01 0.000 - Mg0.17X_montm_mg 1.191e-03 4.048e-04 1.202e-01 0.000 + Na0.34X_montm_mg 3.858e-03 1.312e-03 3.895e-01 -0.000 + Ca0.17X_montm_mg 2.857e-03 9.714e-04 2.885e-01 -0.000 + K0.34X_montm_mg 2.000e-03 6.799e-04 2.019e-01 -0.000 + Mg0.17X_montm_mg 1.191e-03 4.048e-04 1.202e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -2461,7 +2445,7 @@ X_montm_mg 9.905e-03 mol ----------------------------Description of solution---------------------------- pH = 9.448 Charge balance - pe = -4.490 Adjusted to redox equilibrium + pe = -4.406 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 0.99706 Volume (L) = 1.00297 @@ -2494,8 +2478,8 @@ Al 2.020e-06 Ca 2.429e-05 Ca+2 2.427e-05 2.307e-05 -4.615 -4.637 -0.022 -18.21 CaOH+ 1.087e-08 1.073e-08 -7.964 -7.969 -0.006 (0) -H(0) 1.724e-13 - H2 8.622e-14 8.623e-14 -13.064 -13.064 0.000 28.61 +H(0) 1.169e-13 + H2 5.847e-14 5.847e-14 -13.233 -13.233 0.000 28.61 K 1.371e-07 K+ 1.371e-07 1.354e-07 -6.863 -6.868 -0.006 8.99 Mg 1.347e-10 @@ -2503,9 +2487,8 @@ Mg 1.347e-10 MgOH+ 1.307e-12 1.290e-12 -11.884 -11.889 -0.005 (0) Na 4.844e-05 Na+ 4.844e-05 4.783e-05 -4.315 -4.320 -0.006 -1.51 - NaOH 1.357e-19 1.357e-19 -18.867 -18.867 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.251 -66.251 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.914 -65.914 0.000 30.40 Si 2.249e-04 H4SiO4 1.585e-04 1.585e-04 -3.800 -3.800 0.000 52.08 H3SiO4- 6.636e-05 6.552e-05 -4.178 -4.184 -0.006 27.95 @@ -2523,7 +2506,7 @@ Si 2.249e-04 Chlorite(14A) -19.75 48.63 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -12.81 19.40 32.20 Mg3Si2O5(OH)4 Gibbsite -0.59 7.52 8.11 Al(OH)3 - H2(g) -9.96 -13.06 -3.10 H2 + H2(g) -10.13 -13.23 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -4.08 -44.34 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -3.40 -23.97 -20.57 KAlSi3O8 @@ -2533,7 +2516,7 @@ Si 2.249e-04 Montmorillonite(MgK) -1.61 1.22 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -1.84 1.87 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -1.33 2.08 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -63.36 -66.25 -2.89 O2 + O2(g) -63.02 -65.91 -2.89 O2 Quartz 0.18 -3.80 -3.98 SiO2 Sepiolite -9.16 6.60 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -12.06 6.60 18.66 Mg2Si3O7.5OH:3H2O @@ -2567,7 +2550,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 7.804e-05 1.337e-04 5.569e-05 +Kaolinite -0.00 7.43 7.43 7.804e-05 1.337e-04 5.569e-05 -----------------------------Exchange composition------------------------------ @@ -2595,7 +2578,7 @@ X_montm_mg 9.838e-03 mol ----------------------------Description of solution---------------------------- pH = 9.532 Charge balance - pe = -4.494 Adjusted to redox equilibrium + pe = -4.429 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16 Density (g/cm³) = 0.99707 Volume (L) = 1.00297 @@ -2628,8 +2611,8 @@ Al 1.549e-06 Ca 4.635e-05 Ca+2 4.632e-05 4.334e-05 -4.334 -4.363 -0.029 -18.20 CaOH+ 2.489e-08 2.447e-08 -7.604 -7.611 -0.007 (0) -H(0) 1.190e-13 - H2 5.949e-14 5.949e-14 -13.226 -13.226 0.000 28.61 +H(0) 8.804e-14 + H2 4.402e-14 4.402e-14 -13.356 -13.356 0.000 28.61 K 2.163e-07 K+ 2.163e-07 2.127e-07 -6.665 -6.672 -0.007 8.99 Mg 6.328e-10 @@ -2637,9 +2620,8 @@ Mg 6.328e-10 MgOH+ 7.352e-12 7.231e-12 -11.134 -11.141 -0.007 (0) Na 7.239e-05 Na+ 7.239e-05 7.119e-05 -4.140 -4.148 -0.007 -1.50 - NaOH 2.452e-19 2.452e-19 -18.610 -18.610 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.929 -65.929 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.667 -65.667 0.000 30.40 Si 3.808e-04 H4SiO4 2.521e-04 2.521e-04 -3.598 -3.598 0.000 52.08 H3SiO4- 1.286e-04 1.265e-04 -3.891 -3.898 -0.007 27.96 @@ -2657,17 +2639,17 @@ Si 3.808e-04 Chlorite(14A) -15.39 52.99 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -9.90 22.30 32.20 Mg3Si2O5(OH)4 Gibbsite -0.79 7.32 8.11 Al(OH)3 - H2(g) -10.12 -13.23 -3.10 H2 + H2(g) -10.26 -13.36 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.46 -43.72 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.71 -23.28 -20.57 KAlSi3O8 K-mica 1.31 14.01 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -0.63 3.59 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.76 2.07 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.94 2.76 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.49 2.92 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -63.04 -65.93 -2.89 O2 + O2(g) -62.77 -65.67 -2.89 O2 Quartz 0.38 -3.60 -3.98 SiO2 Sepiolite -6.89 8.87 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.79 8.87 18.66 Mg2Si3O7.5OH:3H2O @@ -2701,7 +2683,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 1.337e-04 1.395e-04 5.731e-06 +Kaolinite 0.00 7.44 7.43 1.337e-04 1.395e-04 5.731e-06 -----------------------------Exchange composition------------------------------ @@ -2729,11 +2711,11 @@ X_montm_mg 9.831e-03 mol ----------------------------Description of solution---------------------------- pH = 9.537 Charge balance - pe = -4.465 Adjusted to redox equilibrium + pe = -4.374 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16 Density (g/cm³) = 0.99707 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89012 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.209e-04 Mass of water (kg) = 1.000e+00 @@ -2762,8 +2744,8 @@ Al 1.512e-06 Ca 4.864e-05 Ca+2 4.862e-05 4.542e-05 -4.313 -4.343 -0.030 -18.20 CaOH+ 2.643e-08 2.598e-08 -7.578 -7.585 -0.007 (0) -H(0) 1.015e-13 - H2 5.073e-14 5.073e-14 -13.295 -13.295 0.000 28.61 +H(0) 6.661e-14 + H2 3.330e-14 3.331e-14 -13.477 -13.477 0.000 28.61 K 2.247e-07 K+ 2.247e-07 2.209e-07 -6.648 -6.656 -0.007 8.99 Mg 7.268e-10 @@ -2771,9 +2753,8 @@ Mg 7.268e-10 MgOH+ 8.541e-12 8.398e-12 -11.068 -11.076 -0.007 (0) Na 7.481e-05 Na+ 7.481e-05 7.354e-05 -4.126 -4.133 -0.007 -1.50 - NaOH 2.565e-19 2.565e-19 -18.591 -18.591 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.791 -65.791 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.425 -65.425 0.000 30.40 Si 3.968e-04 H4SiO4 2.616e-04 2.616e-04 -3.582 -3.582 0.000 52.08 H3SiO4- 1.352e-04 1.329e-04 -3.869 -3.876 -0.007 27.96 @@ -2791,17 +2772,17 @@ Si 3.968e-04 Chlorite(14A) -15.02 53.36 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -9.66 22.54 32.20 Mg3Si2O5(OH)4 Gibbsite -0.81 7.30 8.11 Al(OH)3 - H2(g) -10.19 -13.29 -3.10 H2 + H2(g) -10.38 -13.48 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.41 -43.67 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.66 -23.23 -20.57 KAlSi3O8 K-mica 1.33 14.03 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -0.56 3.66 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.70 2.13 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.87 2.84 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.42 2.99 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.90 -65.79 -2.89 O2 + O2(g) -62.53 -65.43 -2.89 O2 Quartz 0.40 -3.58 -3.98 SiO2 Sepiolite -6.70 9.06 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.60 9.06 18.66 Mg2Si3O7.5OH:3H2O @@ -2863,7 +2844,7 @@ X_montm_mg 9.831e-03 mol ----------------------------Description of solution---------------------------- pH = 9.538 Charge balance - pe = -4.472 Adjusted to redox equilibrium + pe = -4.402 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16 Density (g/cm³) = 0.99707 Volume (L) = 1.00297 @@ -2896,8 +2877,8 @@ Al 1.510e-06 Ca 4.876e-05 Ca+2 4.874e-05 4.553e-05 -4.312 -4.342 -0.030 -18.20 CaOH+ 2.651e-08 2.606e-08 -7.577 -7.584 -0.007 (0) -H(0) 1.045e-13 - H2 5.225e-14 5.225e-14 -13.282 -13.282 0.000 28.61 +H(0) 7.576e-14 + H2 3.788e-14 3.788e-14 -13.422 -13.422 0.000 28.61 K 2.252e-07 K+ 2.252e-07 2.213e-07 -6.648 -6.655 -0.007 8.99 Mg 7.320e-10 @@ -2905,9 +2886,8 @@ Mg 7.320e-10 MgOH+ 8.607e-12 8.463e-12 -11.065 -11.072 -0.007 (0) Na 7.494e-05 Na+ 7.494e-05 7.367e-05 -4.125 -4.133 -0.007 -1.50 - NaOH 2.571e-19 2.571e-19 -18.590 -18.590 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.816 -65.816 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.537 -65.537 0.000 30.40 Si 3.977e-04 H4SiO4 2.621e-04 2.621e-04 -3.582 -3.582 0.000 52.08 H3SiO4- 1.356e-04 1.333e-04 -3.868 -3.875 -0.007 27.96 @@ -2925,7 +2905,7 @@ Si 3.977e-04 Chlorite(14A) -15.00 53.38 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -9.65 22.55 32.20 Mg3Si2O5(OH)4 Gibbsite -0.81 7.30 8.11 Al(OH)3 - H2(g) -10.18 -13.28 -3.10 H2 + H2(g) -10.32 -13.42 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.40 -43.67 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.66 -23.23 -20.57 KAlSi3O8 @@ -2935,7 +2915,7 @@ Si 3.977e-04 Montmorillonite(MgK) -0.69 2.14 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.87 2.84 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.42 3.00 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.92 -65.82 -2.89 O2 + O2(g) -62.64 -65.54 -2.89 O2 Quartz 0.40 -3.58 -3.98 SiO2 Sepiolite -6.69 9.07 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.59 9.07 18.66 Mg2Si3O7.5OH:3H2O @@ -2997,7 +2977,7 @@ X_montm_mg 9.831e-03 mol ----------------------------Description of solution---------------------------- pH = 9.538 Charge balance - pe = -4.489 Adjusted to redox equilibrium + pe = -4.426 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16 Density (g/cm³) = 0.99707 Volume (L) = 1.00297 @@ -3030,8 +3010,8 @@ Al 1.510e-06 Ca 4.876e-05 Ca+2 4.873e-05 4.552e-05 -4.312 -4.342 -0.030 -18.20 CaOH+ 2.650e-08 2.605e-08 -7.577 -7.584 -0.007 (0) -H(0) 1.132e-13 - H2 5.659e-14 5.660e-14 -13.247 -13.247 0.000 28.61 +H(0) 8.459e-14 + H2 4.230e-14 4.230e-14 -13.374 -13.374 0.000 28.61 K 2.252e-07 K+ 2.252e-07 2.213e-07 -6.648 -6.655 -0.007 8.99 Mg 7.319e-10 @@ -3039,9 +3019,8 @@ Mg 7.319e-10 MgOH+ 8.606e-12 8.461e-12 -11.065 -11.073 -0.007 (0) Na 7.493e-05 Na+ 7.493e-05 7.366e-05 -4.125 -4.133 -0.007 -1.50 - NaOH 2.571e-19 2.571e-19 -18.590 -18.590 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.886 -65.886 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.633 -65.633 0.000 30.40 Si 3.977e-04 H4SiO4 2.621e-04 2.621e-04 -3.582 -3.582 0.000 52.08 H3SiO4- 1.356e-04 1.333e-04 -3.868 -3.875 -0.007 27.96 @@ -3059,7 +3038,7 @@ Si 3.977e-04 Chlorite(14A) -15.00 53.38 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -9.65 22.55 32.20 Mg3Si2O5(OH)4 Gibbsite -0.81 7.30 8.11 Al(OH)3 - H2(g) -10.15 -13.25 -3.10 H2 + H2(g) -10.27 -13.37 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.40 -43.67 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.66 -23.23 -20.57 KAlSi3O8 @@ -3069,7 +3048,7 @@ Si 3.977e-04 Montmorillonite(MgK) -0.69 2.14 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.87 2.84 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.42 3.00 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -62.99 -65.89 -2.89 O2 + O2(g) -62.74 -65.63 -2.89 O2 Quartz 0.40 -3.58 -3.98 SiO2 Sepiolite -6.69 9.07 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.59 9.07 18.66 Mg2Si3O7.5OH:3H2O @@ -3131,11 +3110,11 @@ X_montm_mg 9.831e-03 mol ----------------------------Description of solution---------------------------- pH = 9.538 Charge balance - pe = -4.564 Adjusted to redox equilibrium + pe = -4.392 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16 Density (g/cm³) = 0.99707 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89012 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.213e-04 Mass of water (kg) = 1.000e+00 @@ -3164,8 +3143,8 @@ Al 1.511e-06 Ca 4.873e-05 Ca+2 4.871e-05 4.550e-05 -4.312 -4.342 -0.030 -18.20 CaOH+ 2.649e-08 2.604e-08 -7.577 -7.584 -0.007 (0) -H(0) 1.596e-13 - H2 7.979e-14 7.980e-14 -13.098 -13.098 0.000 28.61 +H(0) 7.246e-14 + H2 3.623e-14 3.623e-14 -13.441 -13.441 0.000 28.61 K 2.251e-07 K+ 2.251e-07 2.212e-07 -6.648 -6.655 -0.007 8.99 Mg 7.307e-10 @@ -3173,9 +3152,8 @@ Mg 7.307e-10 MgOH+ 8.591e-12 8.447e-12 -11.066 -11.073 -0.007 (0) Na 7.491e-05 Na+ 7.491e-05 7.364e-05 -4.125 -4.133 -0.007 -1.50 - NaOH 2.570e-19 2.570e-19 -18.590 -18.590 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.184 -66.184 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.498 -65.498 0.000 30.40 Si 3.975e-04 H4SiO4 2.619e-04 2.620e-04 -3.582 -3.582 0.000 52.08 H3SiO4- 1.355e-04 1.332e-04 -3.868 -3.876 -0.007 27.96 @@ -3193,7 +3171,7 @@ Si 3.975e-04 Chlorite(14A) -15.01 53.37 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -9.65 22.55 32.20 Mg3Si2O5(OH)4 Gibbsite -0.81 7.30 8.11 Al(OH)3 - H2(g) -10.00 -13.10 -3.10 H2 + H2(g) -10.34 -13.44 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.41 -43.67 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.66 -23.23 -20.57 KAlSi3O8 @@ -3203,7 +3181,7 @@ Si 3.975e-04 Montmorillonite(MgK) -0.69 2.14 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.87 2.84 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.42 2.99 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -63.29 -66.18 -2.89 O2 + O2(g) -62.61 -65.50 -2.89 O2 Quartz 0.40 -3.58 -3.98 SiO2 Sepiolite -6.70 9.06 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.60 9.06 18.66 Mg2Si3O7.5OH:3H2O @@ -3237,7 +3215,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 1.397e-04 1.398e-04 9.145e-08 +Kaolinite -0.00 7.43 7.43 1.397e-04 1.398e-04 9.145e-08 -----------------------------Exchange composition------------------------------ @@ -3265,7 +3243,7 @@ X_montm_mg 9.831e-03 mol ----------------------------Description of solution---------------------------- pH = 9.538 Charge balance - pe = -4.578 Adjusted to redox equilibrium + pe = -4.375 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 16 Density (g/cm³) = 0.99707 Volume (L) = 1.00297 @@ -3298,8 +3276,8 @@ Al 1.510e-06 Ca 4.877e-05 Ca+2 4.874e-05 4.553e-05 -4.312 -4.342 -0.030 -18.20 CaOH+ 2.651e-08 2.606e-08 -7.577 -7.584 -0.007 (0) -H(0) 1.708e-13 - H2 8.542e-14 8.542e-14 -13.068 -13.068 0.000 28.61 +H(0) 6.701e-14 + H2 3.350e-14 3.351e-14 -13.475 -13.475 0.000 28.61 K 2.252e-07 K+ 2.252e-07 2.214e-07 -6.647 -6.655 -0.007 8.99 Mg 7.323e-10 @@ -3307,9 +3285,8 @@ Mg 7.323e-10 MgOH+ 8.611e-12 8.467e-12 -11.065 -11.072 -0.007 (0) Na 7.494e-05 Na+ 7.494e-05 7.367e-05 -4.125 -4.133 -0.007 -1.50 - NaOH 2.572e-19 2.572e-19 -18.590 -18.590 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -66.243 -66.243 0.000 30.40 + O2 0.000e+00 0.000e+00 -65.430 -65.430 0.000 30.40 Si 3.977e-04 H4SiO4 2.621e-04 2.621e-04 -3.582 -3.582 0.000 52.08 H3SiO4- 1.356e-04 1.333e-04 -3.868 -3.875 -0.007 27.96 @@ -3327,17 +3304,17 @@ Si 3.977e-04 Chlorite(14A) -15.00 53.38 68.38 Mg5Al2Si3O10(OH)8 Chrysotile -9.65 22.55 32.20 Mg3Si2O5(OH)4 Gibbsite -0.81 7.30 8.11 Al(OH)3 - H2(g) -9.97 -13.07 -3.10 H2 + H2(g) -10.37 -13.47 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Illite -3.40 -43.67 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.65 -23.23 -20.57 KAlSi3O8 K-mica 1.33 14.04 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(MgCa) -0.56 3.66 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.69 2.14 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgMg) -0.87 2.84 3.71 Mg0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgNa) -0.42 3.00 3.41 Na0.34Mg0.34Al1.66Si4O10(OH)2 - O2(g) -63.35 -66.24 -2.89 O2 + O2(g) -62.54 -65.43 -2.89 O2 Quartz 0.40 -3.58 -3.98 SiO2 Sepiolite -6.69 9.07 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.59 9.07 18.66 Mg2Si3O7.5OH:3H2O @@ -3534,7 +3511,6 @@ Mg 2.776e-17 MgOH+ 9.165e-22 9.161e-22 -21.038 -21.038 -0.000 (0) Na 4.155e-08 Na+ 4.155e-08 4.153e-08 -7.381 -7.382 -0.000 -1.52 - NaOH 3.828e-25 3.828e-25 -24.417 -24.417 0.000 (0) O(0) 9.163e-10 O2 4.581e-10 4.581e-10 -9.339 -9.339 0.000 30.40 Si 1.645e-07 @@ -3666,7 +3642,6 @@ Mg 3.189e-17 MgOH+ 1.041e-21 1.040e-21 -20.983 -20.983 -0.000 (0) Na 4.453e-08 Na+ 4.453e-08 4.451e-08 -7.351 -7.352 -0.000 -1.52 - NaOH 4.056e-25 4.056e-25 -24.392 -24.392 0.000 (0) O(0) 1.338e-09 O2 6.690e-10 6.690e-10 -9.175 -9.175 0.000 30.40 Si 1.796e-07 @@ -3798,7 +3773,6 @@ Mg 8.877e-17 MgOH+ 2.612e-21 2.611e-21 -20.583 -20.583 -0.000 (0) Na 7.428e-08 Na+ 7.428e-08 7.424e-08 -7.129 -7.129 -0.000 -1.52 - NaOH 6.099e-25 6.099e-25 -24.215 -24.215 0.000 (0) O(0) 5.559e-09 O2 2.780e-09 2.780e-09 -8.556 -8.556 0.000 30.40 Si 3.299e-07 @@ -3930,7 +3904,6 @@ Mg 2.216e-15 MgOH+ 5.583e-20 5.578e-20 -19.253 -19.254 -0.000 (0) Na 3.699e-07 Na+ 3.699e-07 3.696e-07 -6.432 -6.432 -0.000 -1.52 - NaOH 2.603e-24 2.603e-24 -23.585 -23.585 0.000 (0) O(0) 4.804e-08 O2 2.402e-08 2.402e-08 -7.619 -7.619 0.000 30.40 Si 1.629e-06 @@ -4062,7 +4035,6 @@ Mg 1.511e-14 MgOH+ 1.347e-18 1.345e-18 -17.871 -17.871 -0.001 (0) Na 9.601e-07 Na+ 9.601e-07 9.590e-07 -6.018 -6.018 -0.001 -1.52 - NaOH 2.391e-23 2.391e-23 -22.621 -22.621 0.000 (0) O(0) 1.339e-07 O2 6.696e-08 6.696e-08 -7.174 -7.174 0.000 30.40 Si 3.650e-06 @@ -4194,7 +4166,6 @@ Mg 3.977e-14 MgOH+ 7.586e-18 7.574e-18 -17.120 -17.121 -0.001 (0) Na 1.548e-06 Na+ 1.548e-06 1.546e-06 -5.810 -5.811 -0.001 -1.52 - NaOH 8.257e-23 8.257e-23 -22.083 -22.083 0.000 (0) O(0) 2.216e-07 O2 1.108e-07 1.108e-07 -6.955 -6.955 0.000 30.40 Si 5.749e-06 @@ -4326,7 +4297,6 @@ Mg 1.001e-13 MgOH+ 3.829e-17 3.822e-17 -16.417 -16.418 -0.001 (0) Na 2.433e-06 Na+ 2.433e-06 2.428e-06 -5.614 -5.615 -0.001 -1.52 - NaOH 2.605e-22 2.605e-22 -21.584 -21.584 0.000 (0) O(0) 3.576e-07 O2 1.788e-07 1.788e-07 -6.748 -6.748 0.000 30.40 Si 8.904e-06 @@ -4397,10 +4367,10 @@ X_montm_mg 9.998e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.990e-03 1.357e-03 3.991e-01 -0.000 - Ca0.17X_montm_mg 2.999e-03 1.020e-03 3.000e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 -0.000 - Mg0.17X_montm_mg 1.009e-03 3.430e-04 1.009e-01 -0.000 + Na0.34X_montm_mg 3.990e-03 1.357e-03 3.991e-01 0.000 + Ca0.17X_montm_mg 2.999e-03 1.020e-03 3.000e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 0.000 + Mg0.17X_montm_mg 1.009e-03 3.430e-04 1.009e-01 0.000 -----------------------------Solution composition------------------------------ @@ -4458,7 +4428,6 @@ Mg 1.896e-13 MgOH+ 1.136e-16 1.134e-16 -15.945 -15.946 -0.001 (0) Na 3.315e-06 Na+ 3.315e-06 3.308e-06 -5.479 -5.480 -0.001 -1.52 - NaOH 5.567e-22 5.567e-22 -21.254 -21.254 0.000 (0) O(0) 4.983e-07 O2 2.491e-07 2.491e-07 -6.604 -6.604 0.000 30.40 Si 1.207e-05 @@ -4520,7 +4489,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 2.910e-06 3.897e-06 9.862e-07 +Kaolinite 0.00 7.44 7.43 2.910e-06 3.897e-06 9.862e-07 -----------------------------Exchange composition------------------------------ @@ -4590,7 +4559,6 @@ Mg 3.089e-13 MgOH+ 2.556e-16 2.549e-16 -15.592 -15.594 -0.001 (0) Na 4.191e-06 Na+ 4.191e-06 4.180e-06 -5.378 -5.379 -0.001 -1.52 - NaOH 9.722e-22 9.722e-22 -21.012 -21.012 0.000 (0) O(0) 6.428e-07 O2 3.214e-07 3.214e-07 -6.493 -6.493 0.000 30.40 Si 1.524e-05 @@ -4615,7 +4583,7 @@ Si 1.524e-05 Illite -7.82 -48.09 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -7.65 -28.22 -20.57 KAlSi3O8 K-mica -1.16 11.54 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 Montmorillonite(Mg) -6.10 -2.69 3.41 Mg0.34Al1.66Si4O10(OH)2-0.34 Montmorillonite(MgCa) -6.22 -2.00 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -6.40 -3.57 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 @@ -4661,10 +4629,10 @@ X_montm_mg 9.998e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.985e-03 1.355e-03 3.986e-01 -0.000 - Ca0.17X_montm_mg 2.998e-03 1.019e-03 2.999e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 -0.000 - Mg0.17X_montm_mg 1.014e-03 3.448e-04 1.014e-01 -0.000 + Na0.34X_montm_mg 3.985e-03 1.355e-03 3.986e-01 0.000 + Ca0.17X_montm_mg 2.998e-03 1.019e-03 2.999e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.000e-01 0.000 + Mg0.17X_montm_mg 1.014e-03 3.448e-04 1.014e-01 0.000 -----------------------------Solution composition------------------------------ @@ -4722,7 +4690,6 @@ Mg 4.587e-13 MgOH+ 4.856e-16 4.842e-16 -15.314 -15.315 -0.001 (0) Na 5.056e-06 Na+ 5.056e-06 5.042e-06 -5.296 -5.297 -0.001 -1.52 - NaOH 1.502e-21 1.502e-21 -20.823 -20.823 0.000 (0) O(0) 7.904e-07 O2 3.952e-07 3.952e-07 -6.403 -6.403 0.000 30.40 Si 1.844e-05 @@ -4854,7 +4821,6 @@ Mg 1.182e-12 MgOH+ 2.136e-15 2.128e-15 -14.670 -14.672 -0.002 (0) Na 7.848e-06 Na+ 7.848e-06 7.819e-06 -5.105 -5.107 -0.002 -1.52 - NaOH 3.991e-21 3.991e-21 -20.399 -20.399 0.000 (0) O(0) 1.300e-06 O2 6.500e-07 6.500e-07 -6.187 -6.187 0.000 30.40 Si 2.928e-05 @@ -4925,10 +4891,10 @@ X_montm_mg 9.994e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.969e-03 1.350e-03 3.971e-01 0.000 - Ca0.17X_montm_mg 2.993e-03 1.018e-03 2.994e-01 0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 0.000 - Mg0.17X_montm_mg 1.033e-03 3.511e-04 1.033e-01 0.000 + Na0.34X_montm_mg 3.969e-03 1.350e-03 3.971e-01 -0.000 + Ca0.17X_montm_mg 2.993e-03 1.018e-03 2.994e-01 -0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 -0.000 + Mg0.17X_montm_mg 1.033e-03 3.511e-04 1.033e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -4986,7 +4952,6 @@ Mg 2.261e-12 MgOH+ 5.627e-15 5.602e-15 -14.250 -14.252 -0.002 (0) Na 1.049e-05 Na+ 1.049e-05 1.045e-05 -4.979 -4.981 -0.002 -1.52 - NaOH 7.364e-21 7.364e-21 -20.133 -20.133 0.000 (0) O(0) 1.830e-06 O2 9.150e-07 9.150e-07 -6.039 -6.039 0.000 30.40 Si 4.039e-05 @@ -5057,10 +5022,10 @@ X_montm_mg 9.993e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.962e-03 1.347e-03 3.965e-01 -0.000 - Ca0.17X_montm_mg 2.989e-03 1.016e-03 2.991e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 -0.000 - Mg0.17X_montm_mg 1.042e-03 3.544e-04 1.043e-01 -0.000 + Na0.34X_montm_mg 3.962e-03 1.347e-03 3.965e-01 0.000 + Ca0.17X_montm_mg 2.989e-03 1.016e-03 2.991e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.800e-04 2.001e-01 0.000 + Mg0.17X_montm_mg 1.042e-03 3.544e-04 1.043e-01 0.000 -----------------------------Solution composition------------------------------ @@ -5118,7 +5083,6 @@ Mg 3.715e-12 MgOH+ 1.150e-14 1.144e-14 -13.939 -13.942 -0.002 (0) Na 1.300e-05 Na+ 1.300e-05 1.294e-05 -4.886 -4.888 -0.002 -1.52 - NaOH 1.137e-20 1.137e-20 -19.944 -19.944 0.000 (0) O(0) 2.375e-06 O2 1.188e-06 1.188e-06 -5.925 -5.925 0.000 30.40 Si 5.175e-05 @@ -5250,7 +5214,6 @@ Mg 1.060e-11 MgOH+ 4.797e-14 4.765e-14 -13.319 -13.322 -0.003 (0) Na 1.985e-05 Na+ 1.985e-05 1.971e-05 -4.702 -4.705 -0.003 -1.51 - NaOH 2.550e-20 2.550e-20 -19.593 -19.593 0.000 (0) O(0) 4.067e-06 O2 2.033e-06 2.033e-06 -5.692 -5.692 0.000 30.40 Si 8.687e-05 @@ -5382,7 +5345,6 @@ Mg 3.944e-11 MgOH+ 2.489e-13 2.466e-13 -12.604 -12.608 -0.004 (0) Na 3.149e-05 Na+ 3.149e-05 3.120e-05 -4.502 -4.506 -0.004 -1.51 - NaOH 5.679e-20 5.679e-20 -19.246 -19.246 0.000 (0) O(0) 7.569e-06 O2 3.785e-06 3.785e-06 -5.422 -5.422 0.000 30.40 Si 1.596e-04 @@ -5453,10 +5415,10 @@ X_montm_mg 9.960e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.862e-03 1.313e-03 3.877e-01 -0.000 - Ca0.17X_montm_mg 2.864e-03 9.739e-04 2.876e-01 -0.000 - K0.34X_montm_mg 2.000e-03 6.799e-04 2.008e-01 -0.000 - Mg0.17X_montm_mg 1.234e-03 4.197e-04 1.239e-01 -0.000 + Na0.34X_montm_mg 3.862e-03 1.313e-03 3.877e-01 0.000 + Ca0.17X_montm_mg 2.864e-03 9.739e-04 2.876e-01 0.000 + K0.34X_montm_mg 2.000e-03 6.799e-04 2.008e-01 0.000 + Mg0.17X_montm_mg 1.234e-03 4.197e-04 1.239e-01 0.000 -----------------------------Solution composition------------------------------ @@ -5514,7 +5476,6 @@ Mg 1.554e-10 MgOH+ 1.208e-12 1.193e-12 -11.918 -11.923 -0.005 (0) Na 4.700e-05 Na+ 4.700e-05 4.642e-05 -4.328 -4.333 -0.005 -1.51 - NaOH 1.052e-19 1.052e-19 -18.978 -18.978 0.000 (0) O(0) 1.314e-05 O2 6.571e-06 6.571e-06 -5.182 -5.182 0.000 30.40 Si 2.754e-04 @@ -5646,7 +5607,6 @@ Mg 5.716e-10 MgOH+ 4.979e-12 4.903e-12 -11.303 -11.310 -0.007 (0) Na 6.482e-05 Na+ 6.482e-05 6.382e-05 -4.188 -4.195 -0.007 -1.50 - NaOH 1.638e-19 1.638e-19 -18.786 -18.786 0.000 (0) O(0) 2.022e-05 O2 1.011e-05 1.011e-05 -4.995 -4.995 0.000 30.40 Si 4.226e-04 @@ -5717,10 +5677,10 @@ X_montm_mg 9.938e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.807e-03 1.294e-03 3.830e-01 0.000 - Ca0.17X_montm_mg 2.764e-03 9.398e-04 2.782e-01 0.000 - K0.34X_montm_mg 1.999e-03 6.798e-04 2.012e-01 0.000 - Mg0.17X_montm_mg 1.367e-03 4.649e-04 1.376e-01 0.000 + Na0.34X_montm_mg 3.807e-03 1.294e-03 3.830e-01 -0.000 + Ca0.17X_montm_mg 2.764e-03 9.398e-04 2.782e-01 -0.000 + K0.34X_montm_mg 1.999e-03 6.798e-04 2.012e-01 -0.000 + Mg0.17X_montm_mg 1.367e-03 4.649e-04 1.376e-01 -0.000 -----------------------------Solution composition------------------------------ @@ -5778,7 +5738,6 @@ Mg 6.098e-10 MgOH+ 5.335e-12 5.252e-12 -11.273 -11.280 -0.007 (0) Na 6.579e-05 Na+ 6.579e-05 6.476e-05 -4.182 -4.189 -0.007 -1.50 - NaOH 1.670e-19 1.670e-19 -18.777 -18.777 0.000 (0) O(0) 2.061e-05 O2 1.030e-05 1.031e-05 -4.987 -4.987 0.000 30.40 Si 4.308e-04 @@ -5840,7 +5799,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite -0.00 7.43 7.43 1.520e-04 1.521e-04 8.153e-08 +Kaolinite 0.00 7.43 7.43 1.520e-04 1.521e-04 8.153e-08 -----------------------------Exchange composition------------------------------ @@ -5849,10 +5808,10 @@ X_montm_mg 9.938e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.806e-03 1.294e-03 3.830e-01 -0.000 - Ca0.17X_montm_mg 2.764e-03 9.398e-04 2.781e-01 -0.000 - K0.34X_montm_mg 1.999e-03 6.798e-04 2.012e-01 -0.000 - Mg0.17X_montm_mg 1.368e-03 4.650e-04 1.376e-01 -0.000 + Na0.34X_montm_mg 3.806e-03 1.294e-03 3.830e-01 0.000 + Ca0.17X_montm_mg 2.764e-03 9.398e-04 2.781e-01 0.000 + K0.34X_montm_mg 1.999e-03 6.798e-04 2.012e-01 0.000 + Mg0.17X_montm_mg 1.368e-03 4.650e-04 1.376e-01 0.000 -----------------------------Solution composition------------------------------ @@ -5910,7 +5869,6 @@ Mg 6.109e-10 MgOH+ 5.345e-12 5.262e-12 -11.272 -11.279 -0.007 (0) Na 6.581e-05 Na+ 6.581e-05 6.479e-05 -4.182 -4.189 -0.007 -1.50 - NaOH 1.671e-19 1.671e-19 -18.777 -18.777 0.000 (0) O(0) 2.062e-05 O2 1.031e-05 1.031e-05 -4.987 -4.987 0.000 30.40 Si 4.311e-04 @@ -5935,7 +5893,7 @@ Si 4.311e-04 Illite -3.52 -43.78 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.70 -23.27 -20.57 KAlSi3O8 K-mica 1.14 13.84 12.70 KAl3Si3O10(OH)2 - Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 + Kaolinite 0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(Mg) -0.42 2.99 3.41 Mg0.34Al1.66Si4O10(OH)2-0.34 Montmorillonite(MgCa) -0.56 3.67 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.70 2.13 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 @@ -6042,7 +6000,6 @@ Mg 6.109e-10 MgOH+ 5.345e-12 5.262e-12 -11.272 -11.279 -0.007 (0) Na 6.581e-05 Na+ 6.581e-05 6.479e-05 -4.182 -4.189 -0.007 -1.50 - NaOH 1.670e-19 1.671e-19 -18.777 -18.777 0.000 (0) O(0) 2.062e-05 O2 1.031e-05 1.031e-05 -4.987 -4.987 0.000 30.40 Si 4.311e-04 @@ -6104,7 +6061,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 1.521e-04 1.521e-04 1.521e-10 +Kaolinite -0.00 7.43 7.43 1.521e-04 1.521e-04 1.522e-10 -----------------------------Exchange composition------------------------------ @@ -6174,7 +6131,6 @@ Mg 6.109e-10 MgOH+ 5.345e-12 5.262e-12 -11.272 -11.279 -0.007 (0) Na 6.581e-05 Na+ 6.581e-05 6.479e-05 -4.182 -4.189 -0.007 -1.50 - NaOH 1.671e-19 1.671e-19 -18.777 -18.777 0.000 (0) O(0) 2.062e-05 O2 1.031e-05 1.031e-05 -4.987 -4.987 0.000 30.40 Si 4.311e-04 @@ -6199,7 +6155,7 @@ Si 4.311e-04 Illite -3.52 -43.78 -40.27 K0.6Mg0.25Al2.3Si3.5O10(OH)2 K-feldspar -2.70 -23.27 -20.57 KAlSi3O8 K-mica 1.14 13.84 12.70 KAl3Si3O10(OH)2 - Kaolinite 0.00 7.44 7.43 Al2Si2O5(OH)4 + Kaolinite -0.00 7.43 7.43 Al2Si2O5(OH)4 Montmorillonite(Mg) -0.42 2.99 3.41 Mg0.34Al1.66Si4O10(OH)2-0.34 Montmorillonite(MgCa) -0.56 3.67 4.22 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite(MgK) -0.70 2.13 2.83 K0.34Mg0.34Al1.66Si4O10(OH)2 @@ -6228,7 +6184,7 @@ Kinetics 1. Rate name Delta Moles Total Moles Reactant Coefficient - Montmorillonite(MgNa) -4.627e-14 9.816e-03 Mg0.34Al1.66Si4O10(OH)2 1 + Montmorillonite(MgNa) -4.729e-14 9.816e-03 Mg0.34Al1.66Si4O10(OH)2 1 X_montm_mg0.34 -1 -------------------------------Phase assemblage-------------------------------- @@ -6236,7 +6192,7 @@ Kinetics 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Kaolinite 0.00 7.44 7.43 1.521e-04 1.521e-04 3.849e-14 +Kaolinite 0.00 7.44 7.43 1.521e-04 1.521e-04 3.933e-14 -----------------------------Exchange composition------------------------------ @@ -6245,10 +6201,10 @@ X_montm_mg 9.938e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - Na0.34X_montm_mg 3.806e-03 1.294e-03 3.830e-01 -0.000 - Ca0.17X_montm_mg 2.764e-03 9.398e-04 2.781e-01 -0.000 - K0.34X_montm_mg 1.999e-03 6.798e-04 2.012e-01 -0.000 - Mg0.17X_montm_mg 1.368e-03 4.650e-04 1.376e-01 -0.000 + Na0.34X_montm_mg 3.806e-03 1.294e-03 3.830e-01 0.000 + Ca0.17X_montm_mg 2.764e-03 9.398e-04 2.781e-01 0.000 + K0.34X_montm_mg 1.999e-03 6.798e-04 2.012e-01 0.000 + Mg0.17X_montm_mg 1.368e-03 4.650e-04 1.376e-01 0.000 -----------------------------Solution composition------------------------------ @@ -6306,7 +6262,6 @@ Mg 6.109e-10 MgOH+ 5.345e-12 5.262e-12 -11.272 -11.279 -0.007 (0) Na 6.581e-05 Na+ 6.581e-05 6.479e-05 -4.182 -4.189 -0.007 -1.50 - NaOH 1.671e-19 1.671e-19 -18.777 -18.777 0.000 (0) O(0) 2.062e-05 O2 1.031e-05 1.031e-05 -4.987 -4.987 0.000 30.40 Si 4.311e-04 diff --git a/mytest/ss_kinetics_101.sel b/mytest/ss_kinetics_101.sel index 97a164ce7..12b293dbc 100644 --- a/mytest/ss_kinetics_101.sel +++ b/mytest/ss_kinetics_101.sel @@ -1,47 +1,47 @@ Mu SC 0.000000100644 0.0547821292 - 0.000000170027 0.0548753228 + 0.000000170027 0.0548753227 0.000000154230 0.0607559060 0.000000158188 0.0612000334 0.000000197837 0.0656520520 - 0.000000579692 0.1042989797 - 0.000001066100 0.1422181631 - 0.000001690726 0.2307952120 - 0.000002704716 0.3938297004 - 0.000003777400 0.5741835096 - 0.000004897279 0.7635455376 - 0.000006058203 0.9575923897 - 0.000010171166 1.6108676501 - 0.000014588973 2.2496490996 - 0.000019243782 2.8627298480 - 0.000034204543 4.5430362039 - 0.000066627626 7.3683360615 - 0.000121428867 11.0746615852 - 0.000211633079 16.0828194533 - 0.000220947994 16.5612631596 - 0.000221431225 16.5859476654 - 0.000221420241 16.5853866990 - 0.000221311192 16.5798173314 - 0.000221459856 16.5874097881 + 0.000000579692 0.1042989793 + 0.000001066100 0.1422181627 + 0.000001690726 0.2307952114 + 0.000002704716 0.3938296993 + 0.000003777400 0.5741835076 + 0.000004897279 0.7635455346 + 0.000006058203 0.9575923852 + 0.000010171166 1.6108676379 + 0.000014588973 2.2496490722 + 0.000019243782 2.8627297951 + 0.000034204543 4.5430359911 + 0.000066627626 7.3683350116 + 0.000121428867 11.0746574224 + 0.000211633079 16.0828053151 + 0.000220947994 16.5612476439 + 0.000221431225 16.5859320592 + 0.000221420241 16.5853711154 + 0.000221311192 16.5798017605 + 0.000221459856 16.5873941965 0.000000154409 0.0607998002 0.000000158966 0.0613920717 0.000000204900 0.0674383243 - 0.000000557086 0.1009699184 - 0.000001038047 0.1418585366 - 0.000001650983 0.2328091284 - 0.000002644058 0.3973920297 - 0.000003694177 0.5768124233 - 0.000004790197 0.7626987159 - 0.000005926015 0.9508576650 - 0.000009944571 1.5697651280 - 0.000014255579 2.1582948954 - 0.000018794563 2.7116438567 - 0.000033356240 4.1882852897 - 0.000064769488 6.6045475197 - 0.000116252607 9.6923282881 - 0.000182554890 13.0886847358 - 0.000186264493 13.2689092381 - 0.000186367922 13.2739233771 - 0.000186365014 13.2737824164 - 0.000186365207 13.2737917721 - 0.000186365207 13.2737917745 + 0.000000557086 0.1009699180 + 0.000001038047 0.1418585362 + 0.000001650983 0.2328091279 + 0.000002644058 0.3973920287 + 0.000003694177 0.5768124216 + 0.000004790197 0.7626987133 + 0.000005926015 0.9508576611 + 0.000009944571 1.5697651160 + 0.000014255579 2.1582948683 + 0.000018794563 2.7116438039 + 0.000033356240 4.1882850735 + 0.000064769488 6.6045464626 + 0.000116252607 9.6923242874 + 0.000182554891 13.0886740501 + 0.000186264494 13.2688980423 + 0.000186367922 13.2739121622 + 0.000186365014 13.2737712005 + 0.000186365207 13.2737805574 + 0.000186365207 13.2737805599 diff --git a/mytest/ss_r.out b/mytest/ss_r.out index 196205f80..7ec74bb0c 100644 --- a/mytest/ss_r.out +++ b/mytest/ss_r.out @@ -75,7 +75,7 @@ Initial solution 0. Specific Conductance (µS/cm, 25°C) = 285 Density (g/cm³) = 0.99724 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89206 + Viscosity (mPa s) = 0.89249 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.464e-03 Mass of water (kg) = 1.000e+00 @@ -158,7 +158,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -328,7 +328,7 @@ Using solution 0. Specific Conductance (µS/cm, 25°C) = 285 Density (g/cm³) = 0.99724 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89206 + Viscosity (mPa s) = 0.89249 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.464e-03 Mass of water (kg) = 1.000e+00 @@ -444,7 +444,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -496,7 +496,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -579,7 +578,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -631,7 +630,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -714,7 +712,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -766,7 +764,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -849,7 +846,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -901,7 +898,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -984,7 +980,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -1036,7 +1032,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -1119,7 +1114,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -1171,7 +1166,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -1254,7 +1248,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -1306,7 +1300,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -1389,7 +1382,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -1441,7 +1434,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -1524,7 +1516,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -1576,7 +1568,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -1659,7 +1650,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -1711,7 +1702,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -1764,7 +1754,7 @@ Using solution 11. Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -1886,16 +1876,16 @@ CaZnCO3 9.19e-05 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.819e-03 Total CO2 (mol/kg) = 3.037e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.961e-15 + Electrical balance (eq) = 1.958e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 110 + Iterations = 130 Total H = 1.110154e+02 Total O = 5.551545e+01 @@ -1938,7 +1928,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.468e-06 @@ -2021,7 +2010,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -2073,7 +2062,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -2156,7 +2144,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -2208,7 +2196,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -2291,7 +2278,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -2343,7 +2330,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -2426,7 +2412,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -2478,7 +2464,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -2561,7 +2546,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -2613,7 +2598,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -2696,7 +2680,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -2748,7 +2732,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -2831,7 +2814,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -2883,7 +2866,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -2966,7 +2948,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -3018,7 +3000,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -3101,7 +3082,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -3153,7 +3134,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -3238,7 +3218,7 @@ CaZnCO3 2.73e-04 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -3290,7 +3270,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.469e-06 @@ -3326,12 +3305,6 @@ Zn 1.469e-06 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: Maximum iterations exceeded, 300 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 2. Solution after simulation 3. Using pure phase assemblage 2. Pure-phase assemblage after simulation 3. Using solid solution assemblage 2. Solid solution assemblage after simulation 3 @@ -3351,7 +3324,7 @@ Kinetics 2. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 8.839e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 8.836e-12 --------------------------------Solid solutions-------------------------------- @@ -3379,16 +3352,16 @@ CaZnCO3 1.70e-04 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.299e-03 Total CO2 (mol/kg) = 2.416e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.977e-15 + Electrical balance (eq) = 1.964e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 498 (799 overall) + Iterations = 435 Total H = 1.110154e+02 Total O = 5.551395e+01 @@ -3431,7 +3404,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -3514,7 +3486,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -3566,7 +3538,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -3649,7 +3620,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -3701,7 +3672,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -3784,7 +3754,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -3836,7 +3806,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -3919,7 +3888,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -3971,7 +3940,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -4054,7 +4022,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -4106,7 +4074,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -4189,7 +4156,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -4241,7 +4208,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -4324,7 +4290,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -4376,7 +4342,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -4459,7 +4424,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -4511,7 +4476,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -4596,7 +4560,7 @@ CaZnCO3 4.55e-04 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -4648,7 +4612,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.471e-06 @@ -4731,7 +4694,7 @@ CaZnCO3 3.40e-04 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -4783,7 +4746,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -4819,6 +4781,60 @@ Zn 1.369e-06 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. +WARNING: Maximum iterations exceeded, 300 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying reduced tolerance 1e-16 ... + +WARNING: Maximum iterations exceeded, 600 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying increased tolerance 1e-14 ... + +WARNING: Maximum iterations exceeded, 600 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying diagonal scaling ... + +WARNING: Maximum iterations exceeded, 600 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying diagonal scaling and reduced tolerance 1e-16 ... + +WARNING: Maximum iterations exceeded, 600 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying scaling pure_phase columns 1e-10 ... + +WARNING: Maximum iterations exceeded, 600 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying scaling pure_phase columns and diagonal scale 1e-10 ... + +WARNING: Maximum iterations exceeded, 600 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying delay removal of equilibrium phases 1 ... + +WARNING: Maximum iterations exceeded, 300 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying increased scaling 1e-09 ... + +WARNING: Maximum iterations exceeded, 600 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Skipping optimize equations for first 5 iterations ... + Using solution 3. Solution after simulation 3. Using pure phase assemblage 3. Pure-phase assemblage after simulation 3. Using solid solution assemblage 3. Solid solution assemblage after simulation 3 @@ -4838,7 +4854,7 @@ Kinetics 3. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 8.598e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 8.596e-12 --------------------------------Solid solutions-------------------------------- @@ -4866,16 +4882,16 @@ CaZnCO3 1.54e-04 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.992e-03 Total CO2 (mol/kg) = 2.065e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.985e-15 + Electrical balance (eq) = 1.968e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 319 + Iterations = 350 (5159 overall) Total H = 1.110154e+02 Total O = 5.551309e+01 @@ -4918,7 +4934,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -5001,7 +5016,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -5053,7 +5068,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -5136,7 +5150,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -5188,7 +5202,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -5271,7 +5284,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -5323,7 +5336,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -5406,7 +5418,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -5458,7 +5470,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -5541,7 +5552,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -5593,7 +5604,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -5676,7 +5686,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -5728,7 +5738,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -5811,7 +5820,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -5863,7 +5872,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -5948,7 +5956,7 @@ CaZnCO3 6.37e-04 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -6000,7 +6008,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.472e-06 @@ -6083,7 +6090,7 @@ CaZnCO3 5.11e-04 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -6135,7 +6142,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -6218,7 +6224,7 @@ CaZnCO3 3.07e-04 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 @@ -6270,7 +6276,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -6306,12 +6311,6 @@ Zn 1.307e-06 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: Maximum iterations exceeded, 300 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 4. Solution after simulation 3. Using pure phase assemblage 4. Pure-phase assemblage after simulation 3. Using solid solution assemblage 4. Solid solution assemblage after simulation 3 @@ -6331,7 +6330,7 @@ Kinetics 4. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 7.988e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 7.999e-12 --------------------------------Solid solutions-------------------------------- @@ -6359,16 +6358,16 @@ CaZnCO3 1.32e-04 Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 0.99716 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.570e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.728e-03 Total CO2 (mol/kg) = 1.771e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.992e-15 + Electrical balance (eq) = 1.966e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 413 (714 overall) + Iterations = 409 Total H = 1.110154e+02 Total O = 5.551237e+01 @@ -6411,7 +6410,6 @@ H(0) 0.000e+00 Na 2.039e-09 Na+ 2.036e-09 1.927e-09 -8.691 -8.715 -0.024 -1.45 NaHCO3 2.696e-12 2.699e-12 -11.569 -11.569 0.001 31.73 - NaOH 1.249e-25 1.250e-25 -24.903 -24.903 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.252e-06 @@ -6494,7 +6492,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -6546,7 +6544,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -6629,7 +6626,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -6681,7 +6678,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -6764,7 +6760,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -6816,7 +6812,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -6899,7 +6894,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -6951,7 +6946,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -7034,7 +7028,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -7086,7 +7080,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -7169,7 +7162,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -7221,7 +7214,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -7306,7 +7298,7 @@ CaZnCO3 8.18e-04 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -7358,7 +7350,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.474e-06 @@ -7441,7 +7432,7 @@ CaZnCO3 6.81e-04 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -7493,7 +7484,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -7576,7 +7566,7 @@ CaZnCO3 4.61e-04 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 @@ -7628,7 +7618,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -7711,7 +7700,7 @@ CaZnCO3 2.64e-04 Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 0.99716 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.570e-03 Mass of water (kg) = 1.000e+00 @@ -7763,7 +7752,6 @@ H(0) 0.000e+00 Na 2.039e-09 Na+ 2.036e-09 1.927e-09 -8.691 -8.715 -0.024 -1.45 NaHCO3 2.696e-12 2.699e-12 -11.569 -11.569 0.001 31.73 - NaOH 1.249e-25 1.250e-25 -24.903 -24.903 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.252e-06 @@ -7799,6 +7787,12 @@ Zn 1.252e-06 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. +WARNING: Maximum iterations exceeded, 300 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying reduced tolerance 1e-16 ... + Using solution 5. Solution after simulation 3. Using pure phase assemblage 5. Pure-phase assemblage after simulation 3. Using solid solution assemblage 5. Solid solution assemblage after simulation 3 @@ -7818,7 +7812,7 @@ Kinetics 5. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 7.013e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 7.017e-12 --------------------------------Solid solutions-------------------------------- @@ -7846,16 +7840,16 @@ CaZnCO3 1.08e-04 Specific Conductance (µS/cm, 25°C) = 146 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89125 + Viscosity (mPa s) = 0.89131 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.249e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.512e-03 Total CO2 (mol/kg) = 1.537e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.998e-15 + Electrical balance (eq) = 1.964e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 469 + Iterations = 346 (647 overall) Total H = 1.110154e+02 Total O = 5.551179e+01 @@ -7898,7 +7892,6 @@ H(0) 0.000e+00 Na 2.032e-09 Na+ 2.030e-09 1.927e-09 -8.693 -8.715 -0.023 -1.45 NaHCO3 2.360e-12 2.363e-12 -11.627 -11.627 0.000 31.73 - NaOH 1.610e-25 1.611e-25 -24.793 -24.793 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.206e-06 @@ -7981,7 +7974,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -8033,7 +8026,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -8116,7 +8108,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -8168,7 +8160,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -8251,7 +8242,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -8303,7 +8294,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -8386,7 +8376,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -8438,7 +8428,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -8521,7 +8510,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -8573,7 +8562,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -8658,7 +8646,7 @@ CaZnCO3 1.00e-03 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -8710,7 +8698,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.475e-06 @@ -8793,7 +8780,7 @@ CaZnCO3 8.51e-04 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -8845,7 +8832,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -8928,7 +8914,7 @@ CaZnCO3 6.14e-04 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 @@ -8980,7 +8966,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -9063,7 +9048,7 @@ CaZnCO3 3.97e-04 Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 0.99716 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.570e-03 Mass of water (kg) = 1.000e+00 @@ -9115,7 +9100,6 @@ H(0) 0.000e+00 Na 2.039e-09 Na+ 2.036e-09 1.927e-09 -8.691 -8.715 -0.024 -1.45 NaHCO3 2.696e-12 2.699e-12 -11.569 -11.569 0.001 31.73 - NaOH 1.249e-25 1.250e-25 -24.903 -24.903 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.252e-06 @@ -9198,7 +9182,7 @@ CaZnCO3 2.16e-04 Specific Conductance (µS/cm, 25°C) = 146 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89125 + Viscosity (mPa s) = 0.89131 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.249e-03 Mass of water (kg) = 1.000e+00 @@ -9250,7 +9234,6 @@ H(0) 0.000e+00 Na 2.032e-09 Na+ 2.030e-09 1.927e-09 -8.693 -8.715 -0.023 -1.45 NaHCO3 2.360e-12 2.363e-12 -11.627 -11.627 0.000 31.73 - NaOH 1.610e-25 1.611e-25 -24.793 -24.793 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.206e-06 @@ -9286,12 +9269,6 @@ Zn 1.206e-06 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. -WARNING: Maximum iterations exceeded, 300 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying reduced tolerance 1e-16 ... - Using solution 6. Solution after simulation 3. Using pure phase assemblage 6. Pure-phase assemblage after simulation 3. Using solid solution assemblage 6. Solid solution assemblage after simulation 3 @@ -9311,7 +9288,7 @@ Kinetics 6. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 5.775e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 5.780e-12 --------------------------------Solid solutions-------------------------------- @@ -9339,16 +9316,16 @@ CaZnCO3 8.31e-05 Specific Conductance (µS/cm, 25°C) = 131 Density (g/cm³) = 0.99713 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89115 + Viscosity (mPa s) = 0.89119 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.002e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.346e-03 Total CO2 (mol/kg) = 1.358e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.997e-15 + Electrical balance (eq) = 1.971e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 301 (602 overall) + Iterations = 357 Total H = 1.110154e+02 Total O = 5.551135e+01 @@ -9391,7 +9368,6 @@ H(0) 0.000e+00 Na 2.026e-09 Na+ 2.024e-09 1.927e-09 -8.694 -8.715 -0.021 -1.46 NaHCO3 2.100e-12 2.102e-12 -11.678 -11.677 0.000 31.73 - NaOH 2.013e-25 2.014e-25 -24.696 -24.696 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.171e-06 @@ -9474,7 +9450,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -9526,7 +9502,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -9609,7 +9584,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -9661,7 +9636,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -9744,7 +9718,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -9796,7 +9770,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -9879,7 +9852,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -9931,7 +9904,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -10016,7 +9988,7 @@ CaZnCO3 1.18e-03 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -10068,7 +10040,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.476e-06 @@ -10151,7 +10122,7 @@ CaZnCO3 1.02e-03 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -10203,7 +10174,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -10286,7 +10256,7 @@ CaZnCO3 7.68e-04 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 @@ -10338,7 +10308,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -10421,7 +10390,7 @@ CaZnCO3 5.29e-04 Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 0.99716 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.570e-03 Mass of water (kg) = 1.000e+00 @@ -10473,7 +10442,6 @@ H(0) 0.000e+00 Na 2.039e-09 Na+ 2.036e-09 1.927e-09 -8.691 -8.715 -0.024 -1.45 NaHCO3 2.696e-12 2.699e-12 -11.569 -11.569 0.001 31.73 - NaOH 1.249e-25 1.250e-25 -24.903 -24.903 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.252e-06 @@ -10556,7 +10524,7 @@ CaZnCO3 3.24e-04 Specific Conductance (µS/cm, 25°C) = 146 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89125 + Viscosity (mPa s) = 0.89131 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.249e-03 Mass of water (kg) = 1.000e+00 @@ -10608,7 +10576,6 @@ H(0) 0.000e+00 Na 2.032e-09 Na+ 2.030e-09 1.927e-09 -8.693 -8.715 -0.023 -1.45 NaHCO3 2.360e-12 2.363e-12 -11.627 -11.627 0.000 31.73 - NaOH 1.610e-25 1.611e-25 -24.793 -24.793 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.206e-06 @@ -10691,7 +10658,7 @@ CaZnCO3 1.66e-04 Specific Conductance (µS/cm, 25°C) = 131 Density (g/cm³) = 0.99713 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89115 + Viscosity (mPa s) = 0.89119 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.002e-03 Mass of water (kg) = 1.000e+00 @@ -10743,7 +10710,6 @@ H(0) 0.000e+00 Na 2.026e-09 Na+ 2.024e-09 1.927e-09 -8.694 -8.715 -0.021 -1.46 NaHCO3 2.100e-12 2.102e-12 -11.678 -11.677 0.000 31.73 - NaOH 2.013e-25 2.014e-25 -24.696 -24.696 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.171e-06 @@ -10798,7 +10764,7 @@ Kinetics 7. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 4.457e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 4.460e-12 --------------------------------Solid solutions-------------------------------- @@ -10826,16 +10792,16 @@ CaZnCO3 6.07e-05 Specific Conductance (µS/cm, 25°C) = 119 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.821e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.224e-03 Total CO2 (mol/kg) = 1.229e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.001e-15 + Electrical balance (eq) = 1.974e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 382 + Iterations = 365 Total H = 1.110154e+02 Total O = 5.551104e+01 @@ -10878,7 +10844,6 @@ H(0) 0.000e+00 Na 2.022e-09 Na+ 2.020e-09 1.927e-09 -8.695 -8.715 -0.020 -1.46 NaHCO3 1.909e-12 1.910e-12 -11.719 -11.719 0.000 31.73 - NaOH 2.416e-25 2.417e-25 -24.617 -24.617 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.144e-06 @@ -10961,7 +10926,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -11013,7 +10978,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -11096,7 +11060,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -11148,7 +11112,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -11231,7 +11194,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -11283,7 +11246,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -11368,7 +11330,7 @@ CaZnCO3 1.36e-03 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -11420,7 +11382,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.477e-06 @@ -11503,7 +11464,7 @@ CaZnCO3 1.19e-03 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -11555,7 +11516,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -11638,7 +11598,7 @@ CaZnCO3 9.22e-04 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 @@ -11690,7 +11650,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -11773,7 +11732,7 @@ CaZnCO3 6.61e-04 Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 0.99716 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.570e-03 Mass of water (kg) = 1.000e+00 @@ -11825,7 +11784,6 @@ H(0) 0.000e+00 Na 2.039e-09 Na+ 2.036e-09 1.927e-09 -8.691 -8.715 -0.024 -1.45 NaHCO3 2.696e-12 2.699e-12 -11.569 -11.569 0.001 31.73 - NaOH 1.249e-25 1.250e-25 -24.903 -24.903 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.252e-06 @@ -11908,7 +11866,7 @@ CaZnCO3 4.31e-04 Specific Conductance (µS/cm, 25°C) = 146 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89125 + Viscosity (mPa s) = 0.89131 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.249e-03 Mass of water (kg) = 1.000e+00 @@ -11960,7 +11918,6 @@ H(0) 0.000e+00 Na 2.032e-09 Na+ 2.030e-09 1.927e-09 -8.693 -8.715 -0.023 -1.45 NaHCO3 2.360e-12 2.363e-12 -11.627 -11.627 0.000 31.73 - NaOH 1.610e-25 1.611e-25 -24.793 -24.793 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.206e-06 @@ -12043,7 +12000,7 @@ CaZnCO3 2.49e-04 Specific Conductance (µS/cm, 25°C) = 131 Density (g/cm³) = 0.99713 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89115 + Viscosity (mPa s) = 0.89119 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.002e-03 Mass of water (kg) = 1.000e+00 @@ -12095,7 +12052,6 @@ H(0) 0.000e+00 Na 2.026e-09 Na+ 2.024e-09 1.927e-09 -8.694 -8.715 -0.021 -1.46 NaHCO3 2.100e-12 2.102e-12 -11.678 -11.677 0.000 31.73 - NaOH 2.013e-25 2.014e-25 -24.696 -24.696 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.171e-06 @@ -12178,7 +12134,7 @@ CaZnCO3 1.21e-04 Specific Conductance (µS/cm, 25°C) = 119 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.821e-03 Mass of water (kg) = 1.000e+00 @@ -12230,7 +12186,6 @@ H(0) 0.000e+00 Na 2.022e-09 Na+ 2.020e-09 1.927e-09 -8.695 -8.715 -0.020 -1.46 NaHCO3 1.909e-12 1.910e-12 -11.719 -11.719 0.000 31.73 - NaOH 2.416e-25 2.417e-25 -24.617 -24.617 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.144e-06 @@ -12285,7 +12240,7 @@ Kinetics 8. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 3.240e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 3.244e-12 --------------------------------Solid solutions-------------------------------- @@ -12313,16 +12268,16 @@ CaZnCO3 4.23e-05 Specific Conductance (µS/cm, 25°C) = 111 Density (g/cm³) = 0.99712 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89102 + Viscosity (mPa s) = 0.89105 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.696e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.140e-03 Total CO2 (mol/kg) = 1.140e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.004e-15 + Electrical balance (eq) = 1.978e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 193 + Iterations = 274 Total H = 1.110154e+02 Total O = 5.551081e+01 @@ -12365,7 +12320,6 @@ H(0) 0.000e+00 Na 2.019e-09 Na+ 2.017e-09 1.927e-09 -8.695 -8.715 -0.020 -1.46 NaHCO3 1.775e-12 1.776e-12 -11.751 -11.751 0.000 31.73 - NaOH 2.776e-25 2.777e-25 -24.557 -24.556 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.126e-06 @@ -12448,7 +12402,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -12500,7 +12454,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -12583,7 +12536,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -12635,7 +12588,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -12720,7 +12672,7 @@ CaZnCO3 1.54e-03 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -12772,7 +12724,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.478e-06 @@ -12855,7 +12806,7 @@ CaZnCO3 1.36e-03 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -12907,7 +12858,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -12990,7 +12940,7 @@ CaZnCO3 1.08e-03 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 @@ -13042,7 +12992,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -13125,7 +13074,7 @@ CaZnCO3 7.93e-04 Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 0.99716 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.570e-03 Mass of water (kg) = 1.000e+00 @@ -13177,7 +13126,6 @@ H(0) 0.000e+00 Na 2.039e-09 Na+ 2.036e-09 1.927e-09 -8.691 -8.715 -0.024 -1.45 NaHCO3 2.696e-12 2.699e-12 -11.569 -11.569 0.001 31.73 - NaOH 1.249e-25 1.250e-25 -24.903 -24.903 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.252e-06 @@ -13260,7 +13208,7 @@ CaZnCO3 5.39e-04 Specific Conductance (µS/cm, 25°C) = 146 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89125 + Viscosity (mPa s) = 0.89131 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.249e-03 Mass of water (kg) = 1.000e+00 @@ -13312,7 +13260,6 @@ H(0) 0.000e+00 Na 2.032e-09 Na+ 2.030e-09 1.927e-09 -8.693 -8.715 -0.023 -1.45 NaHCO3 2.360e-12 2.363e-12 -11.627 -11.627 0.000 31.73 - NaOH 1.610e-25 1.611e-25 -24.793 -24.793 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.206e-06 @@ -13395,7 +13342,7 @@ CaZnCO3 3.33e-04 Specific Conductance (µS/cm, 25°C) = 131 Density (g/cm³) = 0.99713 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89115 + Viscosity (mPa s) = 0.89119 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.002e-03 Mass of water (kg) = 1.000e+00 @@ -13447,7 +13394,6 @@ H(0) 0.000e+00 Na 2.026e-09 Na+ 2.024e-09 1.927e-09 -8.694 -8.715 -0.021 -1.46 NaHCO3 2.100e-12 2.102e-12 -11.678 -11.677 0.000 31.73 - NaOH 2.013e-25 2.014e-25 -24.696 -24.696 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.171e-06 @@ -13530,7 +13476,7 @@ CaZnCO3 1.82e-04 Specific Conductance (µS/cm, 25°C) = 119 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.821e-03 Mass of water (kg) = 1.000e+00 @@ -13582,7 +13528,6 @@ H(0) 0.000e+00 Na 2.022e-09 Na+ 2.020e-09 1.927e-09 -8.695 -8.715 -0.020 -1.46 NaHCO3 1.909e-12 1.910e-12 -11.719 -11.719 0.000 31.73 - NaOH 2.416e-25 2.417e-25 -24.617 -24.617 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.144e-06 @@ -13665,7 +13610,7 @@ CaZnCO3 8.46e-05 Specific Conductance (µS/cm, 25°C) = 111 Density (g/cm³) = 0.99712 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89102 + Viscosity (mPa s) = 0.89105 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.696e-03 Mass of water (kg) = 1.000e+00 @@ -13717,7 +13662,6 @@ H(0) 0.000e+00 Na 2.019e-09 Na+ 2.017e-09 1.927e-09 -8.695 -8.715 -0.020 -1.46 NaHCO3 1.775e-12 1.776e-12 -11.751 -11.751 0.000 31.73 - NaOH 2.776e-25 2.777e-25 -24.557 -24.556 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.126e-06 @@ -13772,7 +13716,7 @@ Kinetics 9. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 2.242e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 2.244e-12 --------------------------------Solid solutions-------------------------------- @@ -13800,16 +13744,16 @@ CaZnCO3 2.83e-05 Specific Conductance (µS/cm, 25°C) = 106 Density (g/cm³) = 0.99711 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89099 + Viscosity (mPa s) = 0.89101 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.611e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.083e-03 Total CO2 (mol/kg) = 1.081e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.005e-15 + Electrical balance (eq) = 1.981e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 341 + Iterations = 248 Total H = 1.110154e+02 Total O = 5.551067e+01 @@ -13852,7 +13796,6 @@ H(0) 0.000e+00 Na 2.016e-09 Na+ 2.015e-09 1.927e-09 -8.696 -8.715 -0.019 -1.47 NaHCO3 1.684e-12 1.686e-12 -11.774 -11.773 0.000 31.73 - NaOH 3.066e-25 3.067e-25 -24.513 -24.513 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.114e-06 @@ -13935,7 +13878,7 @@ CaZnCO3 0.00e+00 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -13987,7 +13930,6 @@ H(0) 0.000e+00 Na 2.012e-09 Na+ 2.011e-09 1.927e-09 -8.697 -8.715 -0.018 -1.47 NaHCO3 1.525e-12 1.526e-12 -11.817 -11.816 0.000 31.73 - NaOH 3.704e-25 3.705e-25 -24.431 -24.431 0.000 (0) O(0) 2.561e-04 O2 1.281e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.500e-12 @@ -14072,7 +14014,7 @@ CaZnCO3 1.73e-03 Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 0.99723 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89197 + Viscosity (mPa s) = 0.89233 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.192e-03 Mass of water (kg) = 1.000e+00 @@ -14124,7 +14066,6 @@ H(0) 0.000e+00 Na 2.069e-09 Na+ 2.065e-09 1.927e-09 -8.685 -8.715 -0.030 -1.43 NaHCO3 4.360e-12 4.369e-12 -11.360 -11.360 0.001 31.73 - NaOH 4.990e-26 4.995e-26 -25.302 -25.301 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.892 0.000 30.40 Zn 1.479e-06 @@ -14207,7 +14148,7 @@ CaZnCO3 1.53e-03 Specific Conductance (µS/cm, 25°C) = 220 Density (g/cm³) = 0.99719 Volume (L) = 1.00302 - Viscosity (mPa s) = 0.89169 + Viscosity (mPa s) = 0.89190 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.420e-03 Mass of water (kg) = 1.000e+00 @@ -14259,7 +14200,6 @@ H(0) 0.000e+00 Na 2.056e-09 Na+ 2.052e-09 1.927e-09 -8.688 -8.715 -0.027 -1.44 NaHCO3 3.573e-12 3.579e-12 -11.447 -11.446 0.001 31.73 - NaOH 7.292e-26 7.298e-26 -25.137 -25.137 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.369e-06 @@ -14342,7 +14282,7 @@ CaZnCO3 1.23e-03 Specific Conductance (µS/cm, 25°C) = 191 Density (g/cm³) = 0.99717 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89152 + Viscosity (mPa s) = 0.89166 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.964e-03 Mass of water (kg) = 1.000e+00 @@ -14394,7 +14334,6 @@ H(0) 0.000e+00 Na 2.047e-09 Na+ 2.044e-09 1.927e-09 -8.690 -8.715 -0.026 -1.44 NaHCO3 3.103e-12 3.107e-12 -11.508 -11.508 0.001 31.73 - NaOH 9.543e-26 9.550e-26 -25.020 -25.020 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.307e-06 @@ -14477,7 +14416,7 @@ CaZnCO3 9.25e-04 Specific Conductance (µS/cm, 25°C) = 167 Density (g/cm³) = 0.99716 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89137 + Viscosity (mPa s) = 0.89146 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.570e-03 Mass of water (kg) = 1.000e+00 @@ -14529,7 +14468,6 @@ H(0) 0.000e+00 Na 2.039e-09 Na+ 2.036e-09 1.927e-09 -8.691 -8.715 -0.024 -1.45 NaHCO3 2.696e-12 2.699e-12 -11.569 -11.569 0.001 31.73 - NaOH 1.249e-25 1.250e-25 -24.903 -24.903 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.281e-04 -3.893 -3.893 0.000 30.40 Zn 1.252e-06 @@ -14612,7 +14550,7 @@ CaZnCO3 6.47e-04 Specific Conductance (µS/cm, 25°C) = 146 Density (g/cm³) = 0.99714 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89125 + Viscosity (mPa s) = 0.89131 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.249e-03 Mass of water (kg) = 1.000e+00 @@ -14664,7 +14602,6 @@ H(0) 0.000e+00 Na 2.032e-09 Na+ 2.030e-09 1.927e-09 -8.693 -8.715 -0.023 -1.45 NaHCO3 2.360e-12 2.363e-12 -11.627 -11.627 0.000 31.73 - NaOH 1.610e-25 1.611e-25 -24.793 -24.793 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.206e-06 @@ -14747,7 +14684,7 @@ CaZnCO3 4.16e-04 Specific Conductance (µS/cm, 25°C) = 131 Density (g/cm³) = 0.99713 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89115 + Viscosity (mPa s) = 0.89119 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.002e-03 Mass of water (kg) = 1.000e+00 @@ -14799,7 +14736,6 @@ H(0) 0.000e+00 Na 2.026e-09 Na+ 2.024e-09 1.927e-09 -8.694 -8.715 -0.021 -1.46 NaHCO3 2.100e-12 2.102e-12 -11.678 -11.677 0.000 31.73 - NaOH 2.013e-25 2.014e-25 -24.696 -24.696 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.171e-06 @@ -14882,7 +14818,7 @@ CaZnCO3 2.43e-04 Specific Conductance (µS/cm, 25°C) = 119 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89108 + Viscosity (mPa s) = 0.89111 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.821e-03 Mass of water (kg) = 1.000e+00 @@ -14934,7 +14870,6 @@ H(0) 0.000e+00 Na 2.022e-09 Na+ 2.020e-09 1.927e-09 -8.695 -8.715 -0.020 -1.46 NaHCO3 1.909e-12 1.910e-12 -11.719 -11.719 0.000 31.73 - NaOH 2.416e-25 2.417e-25 -24.617 -24.617 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.144e-06 @@ -15017,14 +14952,14 @@ CaZnCO3 1.27e-04 Specific Conductance (µS/cm, 25°C) = 111 Density (g/cm³) = 0.99712 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89102 + Viscosity (mPa s) = 0.89105 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.696e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.140e-03 Total CO2 (mol/kg) = 1.140e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.369e-12 + Electrical balance (eq) = 7.370e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 21 Total H = 1.110154e+02 @@ -15069,7 +15004,6 @@ H(0) 0.000e+00 Na 2.019e-09 Na+ 2.017e-09 1.927e-09 -8.695 -8.715 -0.020 -1.46 NaHCO3 1.775e-12 1.776e-12 -11.751 -11.751 0.000 31.73 - NaOH 2.776e-25 2.777e-25 -24.557 -24.556 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.126e-06 @@ -15152,7 +15086,7 @@ CaZnCO3 5.67e-05 Specific Conductance (µS/cm, 25°C) = 106 Density (g/cm³) = 0.99711 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89099 + Viscosity (mPa s) = 0.89101 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.611e-03 Mass of water (kg) = 1.000e+00 @@ -15204,7 +15138,6 @@ H(0) 0.000e+00 Na 2.016e-09 Na+ 2.015e-09 1.927e-09 -8.696 -8.715 -0.019 -1.47 NaHCO3 1.684e-12 1.686e-12 -11.774 -11.773 0.000 31.73 - NaOH 3.066e-25 3.067e-25 -24.513 -24.513 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.114e-06 @@ -15259,7 +15192,7 @@ Kinetics 10. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 1.496e-12 +Halite -19.00 -17.43 1.57 1.000e+01 1.000e+01 1.494e-12 --------------------------------Solid solutions-------------------------------- @@ -15287,16 +15220,16 @@ CaZnCO3 1.85e-05 Specific Conductance (µS/cm, 25°C) = 102 Density (g/cm³) = 0.99711 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89097 + Viscosity (mPa s) = 0.89099 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.556e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.046e-03 Total CO2 (mol/kg) = 1.042e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.005e-15 + Electrical balance (eq) = 1.980e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 398 + Iterations = 544 Total H = 1.110154e+02 Total O = 5.551057e+01 @@ -15339,7 +15272,6 @@ H(0) 0.000e+00 Na 2.015e-09 Na+ 2.013e-09 1.927e-09 -8.696 -8.715 -0.019 -1.47 NaHCO3 1.625e-12 1.627e-12 -11.789 -11.789 0.000 31.73 - NaOH 3.281e-25 3.282e-25 -24.484 -24.484 0.000 (0) O(0) 2.560e-04 O2 1.280e-04 1.280e-04 -3.893 -3.893 0.000 30.40 Zn 1.107e-06 diff --git a/mytest/ss_r_101.sel b/mytest/ss_r_101.sel index b52f848b2..691537fbb 100644 --- a/mytest/ss_r_101.sel +++ b/mytest/ss_r_101.sel @@ -1,35 +1,35 @@ Mu SC - 0.004464478449 285.3948721005 - 0.001462858895 96.7846389036 - 0.004464478449 285.3948721005 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462858891 96.7846389084 - 0.004191830853 268.5071585276 - 0.003420089707 220.4602666219 - 0.002963540885 191.8523857025 - 0.002570343471 167.0957304566 - 0.002249485419 146.8090231328 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.001462860905 96.7848902746 - 0.004191830919 268.5070901239 - 0.003420090122 220.4602925740 - 0.002963541480 191.8524230915 - 0.002570344153 167.0957735227 - 0.002249486073 146.8090645640 - 0.002002073697 131.1136652550 - 0.001821400553 119.6242867024 - 0.001695613720 111.6124953815 - 0.001611335557 106.2393525160 - 0.001556459287 102.7387887652 + 0.004464478449 285.3140117052 + 0.001462858895 96.7834657332 + 0.004464478449 285.3140117052 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462858891 96.7834657380 + 0.004191830853 268.4428844200 + 0.003420089707 220.4299424335 + 0.002963540885 191.8346508901 + 0.002570343471 167.0853790207 + 0.002249485419 146.8028009295 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.001462860905 96.7837171036 + 0.004191830919 268.4428162502 + 0.003420090122 220.4299683719 + 0.002963541480 191.8346882657 + 0.002570344153 167.0854220763 + 0.002249486073 146.8028423537 + 0.002002073697 131.1096911159 + 0.001821400553 119.6215311743 + 0.001695613720 111.6104093785 + 0.001611335557 106.2376427952 + 0.001556459287 102.7372956354 diff --git a/mytest/str_f.out b/mytest/str_f.out index 1b9d5c5f4..957b89399 100644 --- a/mytest/str_f.out +++ b/mytest/str_f.out @@ -88,7 +88,7 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.376e-19 + Total alkalinity (eq/kg) = -2.282e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -2.619e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -111,7 +111,6 @@ H(0) 1.446e-25 H2 7.232e-26 7.249e-26 -25.141 -25.140 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.033e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.012e-20 9.033e-20 -19.045 -19.044 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.102 -42.101 0.001 30.40 diff --git a/mytest/str_f_101.sel b/mytest/str_f_101.sel index a0d3f3633..7a7447f36 100644 --- a/mytest/str_f_101.sel +++ b/mytest/str_f_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.010000110789 1177.7202268524 + 0.010000110789 1177.7202259049 diff --git a/mytest/stuyfz.out b/mytest/stuyfz.out index 0445b943d..0e4a394ed 100644 --- a/mytest/stuyfz.out +++ b/mytest/stuyfz.out @@ -1457,7 +1457,7 @@ Initial solution 12. Specific Conductance (µS/cm, 20°C) = 317 Density (g/cm³) = 0.99834 Volume (L) = 1.00184 - Viscosity (mPa s) = 1.00235 + Viscosity (mPa s) = 1.00236 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.391e-03 Mass of water (kg) = 1.000e+00 @@ -1584,7 +1584,7 @@ Initial solution 13. Specific Conductance (µS/cm, 20°C) = 385 Density (g/cm³) = 0.99839 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00240 + Viscosity (mPa s) = 1.00243 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.998e-03 Mass of water (kg) = 1.000e+00 @@ -1815,7 +1815,7 @@ Initial solution 15. Specific Conductance (µS/cm, 20°C) = 467 Density (g/cm³) = 0.99841 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00257 + Viscosity (mPa s) = 1.00258 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.989e-03 Mass of water (kg) = 1.000e+00 @@ -2566,7 +2566,7 @@ Initial solution 22. Specific Conductance (µS/cm, 20°C) = 176 Density (g/cm³) = 0.99830 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00249 + Viscosity (mPa s) = 1.00270 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.097e-03 Mass of water (kg) = 1.000e+00 @@ -2693,7 +2693,7 @@ Initial solution 23. Specific Conductance (µS/cm, 20°C) = 259 Density (g/cm³) = 0.99833 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00265 + Viscosity (mPa s) = 1.00277 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.124e-03 Mass of water (kg) = 1.000e+00 @@ -2820,7 +2820,7 @@ Initial solution 24. Specific Conductance (µS/cm, 20°C) = 309 Density (g/cm³) = 0.99839 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00349 + Viscosity (mPa s) = 1.00354 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.516e-03 Mass of water (kg) = 1.000e+00 @@ -2947,7 +2947,7 @@ Initial solution 25. Specific Conductance (µS/cm, 20°C) = 275 Density (g/cm³) = 0.99837 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00329 + Viscosity (mPa s) = 1.00331 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.921e-03 Mass of water (kg) = 1.000e+00 @@ -3074,7 +3074,7 @@ Initial solution 26. Specific Conductance (µS/cm, 20°C) = 280 Density (g/cm³) = 0.99839 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00352 + Viscosity (mPa s) = 1.00356 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.303e-03 Mass of water (kg) = 1.000e+00 @@ -3200,7 +3200,7 @@ Initial solution 27. Specific Conductance (µS/cm, 20°C) = 329 Density (g/cm³) = 0.99842 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00374 + Viscosity (mPa s) = 1.00378 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.938e-03 Mass of water (kg) = 1.000e+00 @@ -3302,7 +3302,7 @@ Initial solution 28. Specific Conductance (µS/cm, 20°C) = 326 Density (g/cm³) = 0.99841 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00383 + Viscosity (mPa s) = 1.00387 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.102e-03 Mass of water (kg) = 1.000e+00 @@ -3429,7 +3429,7 @@ Initial solution 29. Specific Conductance (µS/cm, 20°C) = 414 Density (g/cm³) = 0.99845 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00391 + Viscosity (mPa s) = 1.00398 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.132e-03 Mass of water (kg) = 1.000e+00 @@ -3556,7 +3556,7 @@ Initial solution 30. Specific Conductance (µS/cm, 20°C) = 409 Density (g/cm³) = 0.99846 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00396 + Viscosity (mPa s) = 1.00400 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.012e-03 Mass of water (kg) = 1.000e+00 @@ -3683,7 +3683,7 @@ Initial solution 31. Specific Conductance (µS/cm, 20°C) = 446 Density (g/cm³) = 0.99851 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00455 + Viscosity (mPa s) = 1.00463 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.248e-03 Mass of water (kg) = 1.000e+00 @@ -3809,7 +3809,7 @@ Initial solution 32. Specific Conductance (µS/cm, 20°C) = 462 Density (g/cm³) = 0.99852 Volume (L) = 1.00188 - Viscosity (mPa s) = 1.00454 + Viscosity (mPa s) = 1.00462 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.316e-03 Mass of water (kg) = 1.000e+00 @@ -3931,10 +3931,10 @@ Initial solution 33. pH = 7.340 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 512 + Specific Conductance (µS/cm, 20°C) = 511 Density (g/cm³) = 0.99857 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.00491 + Viscosity (mPa s) = 1.00517 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.193e-03 Mass of water (kg) = 1.000e+00 @@ -4057,10 +4057,10 @@ Initial solution 34. pH = 6.200 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 536 + Specific Conductance (µS/cm, 20°C) = 535 Density (g/cm³) = 0.99847 Volume (L) = 1.00188 - Viscosity (mPa s) = 1.00327 + Viscosity (mPa s) = 1.00338 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.762e-03 Mass of water (kg) = 1.000e+00 @@ -4185,7 +4185,7 @@ Initial solution 35. Specific Conductance (µS/cm, 20°C) = 597 Density (g/cm³) = 0.99858 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.00474 + Viscosity (mPa s) = 1.00505 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.861e-03 Mass of water (kg) = 1.000e+00 @@ -4312,7 +4312,7 @@ Initial solution 36. Specific Conductance (µS/cm, 20°C) = 607 Density (g/cm³) = 0.99849 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00333 + Viscosity (mPa s) = 1.00336 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.458e-03 Mass of water (kg) = 1.000e+00 @@ -4435,10 +4435,10 @@ Initial solution 37. pH = 7.470 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 616 + Specific Conductance (µS/cm, 20°C) = 615 Density (g/cm³) = 0.99865 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.00574 + Viscosity (mPa s) = 1.00600 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.035e-02 Mass of water (kg) = 1.000e+00 @@ -4562,7 +4562,7 @@ Initial solution 38. Specific Conductance (µS/cm, 20°C) = 672 Density (g/cm³) = 0.99860 Volume (L) = 1.00190 - Viscosity (mPa s) = 1.00495 + Viscosity (mPa s) = 1.00502 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.722e-03 Mass of water (kg) = 1.000e+00 @@ -4687,7 +4687,7 @@ Initial solution 39. Specific Conductance (µS/cm, 20°C) = 718 Density (g/cm³) = 0.99872 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.00617 + Viscosity (mPa s) = 1.00650 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.209e-02 Mass of water (kg) = 1.000e+00 @@ -4813,7 +4813,7 @@ Initial solution 40. Specific Conductance (µS/cm, 20°C) = 689 Density (g/cm³) = 0.99869 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00588 + Viscosity (mPa s) = 1.00624 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.111e-02 Mass of water (kg) = 1.000e+00 @@ -4937,7 +4937,7 @@ Initial solution 41. Specific Conductance (µS/cm, 20°C) = 565 Density (g/cm³) = 0.99860 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00520 + Viscosity (mPa s) = 1.00541 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.096e-03 Mass of water (kg) = 1.000e+00 @@ -5061,7 +5061,7 @@ Initial solution 42. Specific Conductance (µS/cm, 20°C) = 740 Density (g/cm³) = 0.99871 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00600 + Viscosity (mPa s) = 1.00626 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.168e-02 Mass of water (kg) = 1.000e+00 @@ -5186,7 +5186,7 @@ Initial solution 43. Specific Conductance (µS/cm, 20°C) = 833 Density (g/cm³) = 0.99871 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.00568 + Viscosity (mPa s) = 1.00578 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.244e-02 Mass of water (kg) = 1.000e+00 @@ -5312,7 +5312,7 @@ Initial solution 44. Specific Conductance (µS/cm, 20°C) = 803 Density (g/cm³) = 0.99870 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00605 + Viscosity (mPa s) = 1.00635 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.244e-02 Mass of water (kg) = 1.000e+00 @@ -5436,7 +5436,7 @@ Initial solution 45. Specific Conductance (µS/cm, 20°C) = 847 Density (g/cm³) = 0.99874 Volume (L) = 1.00197 - Viscosity (mPa s) = 1.00612 + Viscosity (mPa s) = 1.00651 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.293e-02 Mass of water (kg) = 1.000e+00 @@ -5560,7 +5560,7 @@ Initial solution 46. Specific Conductance (µS/cm, 20°C) = 931 Density (g/cm³) = 0.99879 Volume (L) = 1.00201 - Viscosity (mPa s) = 1.00587 + Viscosity (mPa s) = 1.00602 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.190e-02 Mass of water (kg) = 1.000e+00 @@ -5685,7 +5685,7 @@ Initial solution 47. Specific Conductance (µS/cm, 20°C) = 977 Density (g/cm³) = 0.99893 Volume (L) = 1.00202 - Viscosity (mPa s) = 1.00719 + Viscosity (mPa s) = 1.00759 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.527e-02 Mass of water (kg) = 1.000e+00 @@ -5809,10 +5809,10 @@ Initial solution 48. pH = 7.600 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1044 + Specific Conductance (µS/cm, 20°C) = 1043 Density (g/cm³) = 0.99883 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.00582 + Viscosity (mPa s) = 1.00588 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.452e-02 Mass of water (kg) = 1.000e+00 @@ -5939,7 +5939,7 @@ Initial solution 49. Specific Conductance (µS/cm, 20°C) = 1139 Density (g/cm³) = 0.99899 Volume (L) = 1.00199 - Viscosity (mPa s) = 1.00810 + Viscosity (mPa s) = 1.00858 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.896e-02 Mass of water (kg) = 1.000e+00 @@ -6066,7 +6066,7 @@ Initial solution 50. Specific Conductance (µS/cm, 20°C) = 1078 Density (g/cm³) = 0.99886 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00659 + Viscosity (mPa s) = 1.00671 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.604e-02 Mass of water (kg) = 1.000e+00 @@ -6192,7 +6192,7 @@ Initial solution 51. Specific Conductance (µS/cm, 20°C) = 1082 Density (g/cm³) = 0.99883 Volume (L) = 1.00196 - Viscosity (mPa s) = 1.00657 + Viscosity (mPa s) = 1.00671 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.607e-02 Mass of water (kg) = 1.000e+00 @@ -6317,7 +6317,7 @@ Initial solution 52. Specific Conductance (µS/cm, 20°C) = 759 Density (g/cm³) = 0.99871 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00437 + Viscosity (mPa s) = 1.00438 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.009e-02 Mass of water (kg) = 1.000e+00 @@ -6444,7 +6444,7 @@ Initial solution 53. Specific Conductance (µS/cm, 20°C) = 317 Density (g/cm³) = 0.99841 Volume (L) = 1.00184 - Viscosity (mPa s) = 1.00360 + Viscosity (mPa s) = 1.00371 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.801e-03 Mass of water (kg) = 1.000e+00 @@ -6571,7 +6571,7 @@ Initial solution 54. Specific Conductance (µS/cm, 20°C) = 389 Density (g/cm³) = 0.99850 Volume (L) = 1.00183 - Viscosity (mPa s) = 1.00369 + Viscosity (mPa s) = 1.00374 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.539e-03 Mass of water (kg) = 1.000e+00 @@ -6698,7 +6698,7 @@ Initial solution 55. Specific Conductance (µS/cm, 20°C) = 432 Density (g/cm³) = 0.99852 Volume (L) = 1.00184 - Viscosity (mPa s) = 1.00409 + Viscosity (mPa s) = 1.00412 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.462e-03 Mass of water (kg) = 1.000e+00 @@ -6825,7 +6825,7 @@ Initial solution 56. Specific Conductance (µS/cm, 20°C) = 624 Density (g/cm³) = 0.99871 Volume (L) = 1.00184 - Viscosity (mPa s) = 1.00441 + Viscosity (mPa s) = 1.00448 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.645e-03 Mass of water (kg) = 1.000e+00 @@ -6952,7 +6952,7 @@ Initial solution 57. Specific Conductance (µS/cm, 20°C) = 786 Density (g/cm³) = 0.99879 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00457 + Viscosity (mPa s) = 1.00463 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.028e-02 Mass of water (kg) = 1.000e+00 @@ -7079,7 +7079,7 @@ Initial solution 58. Specific Conductance (µS/cm, 20°C) = 869 Density (g/cm³) = 0.99888 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00509 + Viscosity (mPa s) = 1.00516 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.196e-02 Mass of water (kg) = 1.000e+00 @@ -7202,10 +7202,10 @@ Initial solution 59. pH = 7.300 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 818 + Specific Conductance (µS/cm, 20°C) = 817 Density (g/cm³) = 0.99874 Volume (L) = 1.00190 - Viscosity (mPa s) = 1.00629 + Viscosity (mPa s) = 1.00646 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.332e-02 Mass of water (kg) = 1.000e+00 @@ -7327,10 +7327,10 @@ Initial solution 60. pH = 7.190 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1231 + Specific Conductance (µS/cm, 20°C) = 1230 Density (g/cm³) = 0.99919 Volume (L) = 1.00189 - Viscosity (mPa s) = 1.00630 + Viscosity (mPa s) = 1.00652 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.727e-02 Mass of water (kg) = 1.000e+00 @@ -7456,7 +7456,7 @@ Initial solution 61. Specific Conductance (µS/cm, 20°C) = 922 Density (g/cm³) = 0.99883 Volume (L) = 1.00194 - Viscosity (mPa s) = 1.00699 + Viscosity (mPa s) = 1.00726 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.522e-02 Mass of water (kg) = 1.000e+00 @@ -7581,7 +7581,7 @@ Initial solution 62. Specific Conductance (µS/cm, 20°C) = 1059 Density (g/cm³) = 0.99891 Volume (L) = 1.00189 - Viscosity (mPa s) = 1.00502 + Viscosity (mPa s) = 1.00505 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.369e-02 Mass of water (kg) = 1.000e+00 @@ -7707,7 +7707,7 @@ Initial solution 63. Specific Conductance (µS/cm, 20°C) = 959 Density (g/cm³) = 0.99884 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.00688 + Viscosity (mPa s) = 1.00709 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.558e-02 Mass of water (kg) = 1.000e+00 @@ -7829,10 +7829,10 @@ Initial solution 64. pH = 6.990 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1273 + Specific Conductance (µS/cm, 20°C) = 1272 Density (g/cm³) = 0.99910 Volume (L) = 1.00194 - Viscosity (mPa s) = 1.00730 + Viscosity (mPa s) = 1.00762 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.955e-02 Mass of water (kg) = 1.000e+00 @@ -7959,7 +7959,7 @@ Initial solution 65. Specific Conductance (µS/cm, 20°C) = 1357 Density (g/cm³) = 0.99911 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00818 + Viscosity (mPa s) = 1.00845 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.206e-02 Mass of water (kg) = 1.000e+00 @@ -8086,7 +8086,7 @@ Initial solution 66. Specific Conductance (µS/cm, 20°C) = 1479 Density (g/cm³) = 0.99919 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00881 + Viscosity (mPa s) = 1.00905 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.476e-02 Mass of water (kg) = 1.000e+00 @@ -8210,10 +8210,10 @@ Initial solution 67. pH = 7.050 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1541 + Specific Conductance (µS/cm, 20°C) = 1540 Density (g/cm³) = 0.99922 Volume (L) = 1.00196 - Viscosity (mPa s) = 1.00904 + Viscosity (mPa s) = 1.00928 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.574e-02 Mass of water (kg) = 1.000e+00 @@ -8340,7 +8340,7 @@ Initial solution 68. Specific Conductance (µS/cm, 20°C) = 1365 Density (g/cm³) = 0.99899 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00712 + Viscosity (mPa s) = 1.00723 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.077e-02 Mass of water (kg) = 1.000e+00 @@ -8464,10 +8464,10 @@ Initial solution 69. pH = 7.040 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2573 + Specific Conductance (µS/cm, 20°C) = 2572 Density (g/cm³) = 1.00065 Volume (L) = 1.00188 - Viscosity (mPa s) = 1.00864 + Viscosity (mPa s) = 1.00912 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.462e-02 Mass of water (kg) = 1.000e+00 @@ -8594,7 +8594,7 @@ Initial solution 70. Specific Conductance (µS/cm, 20°C) = 1645 Density (g/cm³) = 0.99926 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00921 + Viscosity (mPa s) = 1.00927 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.849e-02 Mass of water (kg) = 1.000e+00 @@ -8721,7 +8721,7 @@ Initial solution 71. Specific Conductance (µS/cm, 20°C) = 3051 Density (g/cm³) = 1.00115 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00923 + Viscosity (mPa s) = 1.00960 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.065e-02 Mass of water (kg) = 1.000e+00 @@ -8845,10 +8845,10 @@ Initial solution 72. pH = 7.090 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1672 + Specific Conductance (µS/cm, 20°C) = 1671 Density (g/cm³) = 0.99937 Volume (L) = 1.00213 - Viscosity (mPa s) = 1.01011 + Viscosity (mPa s) = 1.01095 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.657e-02 Mass of water (kg) = 1.000e+00 @@ -8975,7 +8975,7 @@ Initial solution 73. Specific Conductance (µS/cm, 20°C) = 1698 Density (g/cm³) = 0.99929 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00929 + Viscosity (mPa s) = 1.00938 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.849e-02 Mass of water (kg) = 1.000e+00 @@ -9102,7 +9102,7 @@ Initial solution 74. Specific Conductance (µS/cm, 20°C) = 1913 Density (g/cm³) = 0.99944 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.01026 + Viscosity (mPa s) = 1.01031 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.401e-02 Mass of water (kg) = 1.000e+00 @@ -9226,10 +9226,10 @@ Initial solution 75. pH = 7.180 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2387 + Specific Conductance (µS/cm, 20°C) = 2385 Density (g/cm³) = 0.99985 Volume (L) = 1.00227 - Viscosity (mPa s) = 1.01342 + Viscosity (mPa s) = 1.01437 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.873e-02 Mass of water (kg) = 1.000e+00 @@ -9355,7 +9355,7 @@ Initial solution 76. Specific Conductance (µS/cm, 20°C) = 754 Density (g/cm³) = 0.99865 Volume (L) = 1.00189 - Viscosity (mPa s) = 1.00558 + Viscosity (mPa s) = 1.00564 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.177e-02 Mass of water (kg) = 1.000e+00 @@ -9480,7 +9480,7 @@ Initial solution 77. Specific Conductance (µS/cm, 20°C) = 846 Density (g/cm³) = 0.99868 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.00513 + Viscosity (mPa s) = 1.00517 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.169e-02 Mass of water (kg) = 1.000e+00 @@ -9606,7 +9606,7 @@ Initial solution 78. Specific Conductance (µS/cm, 20°C) = 851 Density (g/cm³) = 0.99867 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.00500 + Viscosity (mPa s) = 1.00503 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.156e-02 Mass of water (kg) = 1.000e+00 @@ -9730,7 +9730,7 @@ Initial solution 79. Specific Conductance (µS/cm, 20°C) = 915 Density (g/cm³) = 0.99873 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.00589 + Viscosity (mPa s) = 1.00595 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.379e-02 Mass of water (kg) = 1.000e+00 @@ -9854,7 +9854,7 @@ Initial solution 80. Specific Conductance (µS/cm, 20°C) = 960 Density (g/cm³) = 0.99871 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00524 + Viscosity (mPa s) = 1.00526 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-02 Mass of water (kg) = 1.000e+00 @@ -9978,7 +9978,7 @@ Initial solution 81. Specific Conductance (µS/cm, 20°C) = 997 Density (g/cm³) = 0.99876 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.00574 + Viscosity (mPa s) = 1.00579 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.421e-02 Mass of water (kg) = 1.000e+00 @@ -10102,7 +10102,7 @@ Initial solution 82. Specific Conductance (µS/cm, 20°C) = 1039 Density (g/cm³) = 0.99878 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.00566 + Viscosity (mPa s) = 1.00570 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.442e-02 Mass of water (kg) = 1.000e+00 @@ -10227,7 +10227,7 @@ Initial solution 83. Specific Conductance (µS/cm, 20°C) = 1130 Density (g/cm³) = 0.99886 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00553 + Viscosity (mPa s) = 1.00555 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.534e-02 Mass of water (kg) = 1.000e+00 @@ -10353,7 +10353,7 @@ Initial solution 84. Specific Conductance (µS/cm, 20°C) = 1088 Density (g/cm³) = 0.99880 Volume (L) = 1.00194 - Viscosity (mPa s) = 1.00578 + Viscosity (mPa s) = 1.00582 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.495e-02 Mass of water (kg) = 1.000e+00 @@ -10477,7 +10477,7 @@ Initial solution 85. Specific Conductance (µS/cm, 20°C) = 1102 Density (g/cm³) = 0.99883 Volume (L) = 1.00196 - Viscosity (mPa s) = 1.00614 + Viscosity (mPa s) = 1.00622 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.542e-02 Mass of water (kg) = 1.000e+00 @@ -10601,7 +10601,7 @@ Initial solution 86. Specific Conductance (µS/cm, 20°C) = 1115 Density (g/cm³) = 0.99882 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00586 + Viscosity (mPa s) = 1.00591 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.545e-02 Mass of water (kg) = 1.000e+00 @@ -10722,10 +10722,10 @@ Initial solution 87. pH = 7.340 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1071 + Specific Conductance (µS/cm, 20°C) = 1070 Density (g/cm³) = 0.99895 Volume (L) = 1.00205 - Viscosity (mPa s) = 1.00728 + Viscosity (mPa s) = 1.00775 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.590e-02 Mass of water (kg) = 1.000e+00 @@ -10850,7 +10850,7 @@ Initial solution 88. Specific Conductance (µS/cm, 20°C) = 1097 Density (g/cm³) = 0.99886 Volume (L) = 1.00202 - Viscosity (mPa s) = 1.00649 + Viscosity (mPa s) = 1.00658 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.457e-02 Mass of water (kg) = 1.000e+00 @@ -10973,10 +10973,10 @@ Initial solution 89. pH = 7.010 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1268 + Specific Conductance (µS/cm, 20°C) = 1266 Density (g/cm³) = 0.99914 Volume (L) = 1.00212 - Viscosity (mPa s) = 1.00871 + Viscosity (mPa s) = 1.00990 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.102e-02 Mass of water (kg) = 1.000e+00 @@ -11100,7 +11100,7 @@ Initial solution 90. Specific Conductance (µS/cm, 20°C) = 1391 Density (g/cm³) = 0.99895 Volume (L) = 1.00206 - Viscosity (mPa s) = 1.00625 + Viscosity (mPa s) = 1.00629 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.615e-02 Mass of water (kg) = 1.000e+00 @@ -11224,7 +11224,7 @@ Initial solution 91. Specific Conductance (µS/cm, 20°C) = 1268 Density (g/cm³) = 0.99897 Volume (L) = 1.00208 - Viscosity (mPa s) = 1.00671 + Viscosity (mPa s) = 1.00676 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.494e-02 Mass of water (kg) = 1.000e+00 @@ -11345,10 +11345,10 @@ Initial solution 92. pH = 7.770 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1516 + Specific Conductance (µS/cm, 20°C) = 1515 Density (g/cm³) = 0.99918 Volume (L) = 1.00215 - Viscosity (mPa s) = 1.00815 + Viscosity (mPa s) = 1.00832 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.889e-02 Mass of water (kg) = 1.000e+00 @@ -11470,10 +11470,10 @@ Initial solution 93. pH = 7.150 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2446 + Specific Conductance (µS/cm, 20°C) = 2445 Density (g/cm³) = 1.00017 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.01013 + Viscosity (mPa s) = 1.01032 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.719e-02 Mass of water (kg) = 1.000e+00 @@ -11596,10 +11596,10 @@ Initial solution 94. pH = 7.260 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1749 + Specific Conductance (µS/cm, 20°C) = 1747 Density (g/cm³) = 0.99940 Volume (L) = 1.00221 - Viscosity (mPa s) = 1.01014 + Viscosity (mPa s) = 1.01090 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.596e-02 Mass of water (kg) = 1.000e+00 @@ -11723,7 +11723,7 @@ Initial solution 95. Specific Conductance (µS/cm, 20°C) = 2003 Density (g/cm³) = 0.99928 Volume (L) = 1.00217 - Viscosity (mPa s) = 1.00834 + Viscosity (mPa s) = 1.00841 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.454e-02 Mass of water (kg) = 1.000e+00 @@ -11844,10 +11844,10 @@ Initial solution 96. pH = 7.210 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2127 + Specific Conductance (µS/cm, 20°C) = 2126 Density (g/cm³) = 0.99946 Volume (L) = 1.00220 - Viscosity (mPa s) = 1.01010 + Viscosity (mPa s) = 1.01050 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.951e-02 Mass of water (kg) = 1.000e+00 @@ -11971,7 +11971,7 @@ Initial solution 97. Specific Conductance (µS/cm, 20°C) = 1973 Density (g/cm³) = 0.99919 Volume (L) = 1.00212 - Viscosity (mPa s) = 1.00662 + Viscosity (mPa s) = 1.00663 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.252e-02 Mass of water (kg) = 1.000e+00 @@ -12095,7 +12095,7 @@ Initial solution 98. Specific Conductance (µS/cm, 20°C) = 2157 Density (g/cm³) = 0.99926 Volume (L) = 1.00214 - Viscosity (mPa s) = 1.00733 + Viscosity (mPa s) = 1.00736 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.581e-02 Mass of water (kg) = 1.000e+00 @@ -12219,7 +12219,7 @@ Initial solution 99. Specific Conductance (µS/cm, 20°C) = 2242 Density (g/cm³) = 0.99931 Volume (L) = 1.00213 - Viscosity (mPa s) = 1.00729 + Viscosity (mPa s) = 1.00730 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.735e-02 Mass of water (kg) = 1.000e+00 @@ -12344,7 +12344,7 @@ Initial solution 100. Specific Conductance (µS/cm, 20°C) = 2421 Density (g/cm³) = 0.99940 Volume (L) = 1.00224 - Viscosity (mPa s) = 1.00766 + Viscosity (mPa s) = 1.00770 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.688e-02 Mass of water (kg) = 1.000e+00 @@ -12470,7 +12470,7 @@ Initial solution 101. Specific Conductance (µS/cm, 20°C) = 2385 Density (g/cm³) = 0.99932 Volume (L) = 1.00215 - Viscosity (mPa s) = 1.00782 + Viscosity (mPa s) = 1.00785 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.970e-02 Mass of water (kg) = 1.000e+00 @@ -12591,10 +12591,10 @@ Initial solution 102. pH = 7.330 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2368 + Specific Conductance (µS/cm, 20°C) = 2367 Density (g/cm³) = 0.99942 Volume (L) = 1.00224 - Viscosity (mPa s) = 1.00869 + Viscosity (mPa s) = 1.00886 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.844e-02 Mass of water (kg) = 1.000e+00 @@ -12715,10 +12715,10 @@ Initial solution 103. pH = 7.170 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2565 + Specific Conductance (µS/cm, 20°C) = 2563 Density (g/cm³) = 0.99990 Volume (L) = 1.00245 - Viscosity (mPa s) = 1.01309 + Viscosity (mPa s) = 1.01419 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.547e-02 Mass of water (kg) = 1.000e+00 @@ -12843,7 +12843,7 @@ Initial solution 104. Specific Conductance (µS/cm, 20°C) = 3058 Density (g/cm³) = 0.99966 Volume (L) = 1.00218 - Viscosity (mPa s) = 1.01031 + Viscosity (mPa s) = 1.01038 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.330e-02 Mass of water (kg) = 1.000e+00 @@ -12970,7 +12970,7 @@ Initial solution 105. Specific Conductance (µS/cm, 20°C) = 3204 Density (g/cm³) = 0.99972 Volume (L) = 1.00233 - Viscosity (mPa s) = 1.00884 + Viscosity (mPa s) = 1.00890 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.764e-02 Mass of water (kg) = 1.000e+00 @@ -13093,10 +13093,10 @@ Initial solution 106. pH = 7.250 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 3258 + Specific Conductance (µS/cm, 20°C) = 3256 Density (g/cm³) = 1.00026 Volume (L) = 1.00258 - Viscosity (mPa s) = 1.01528 + Viscosity (mPa s) = 1.01616 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.442e-02 Mass of water (kg) = 1.000e+00 @@ -13217,10 +13217,10 @@ Initial solution 107. pH = 7.190 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 3833 + Specific Conductance (µS/cm, 20°C) = 3827 Density (g/cm³) = 1.00079 Volume (L) = 1.00285 - Viscosity (mPa s) = 1.01849 + Viscosity (mPa s) = 1.02002 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.247e-02 Mass of water (kg) = 1.000e+00 @@ -13344,7 +13344,7 @@ Initial solution 108. Specific Conductance (µS/cm, 20°C) = 4250 Density (g/cm³) = 1.00025 Volume (L) = 1.00229 - Viscosity (mPa s) = 1.01174 + Viscosity (mPa s) = 1.01179 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.143e-02 Mass of water (kg) = 1.000e+00 @@ -13465,10 +13465,10 @@ Initial solution 109. pH = 7.440 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 4553 + Specific Conductance (µS/cm, 20°C) = 4552 Density (g/cm³) = 1.00060 Volume (L) = 1.00259 - Viscosity (mPa s) = 1.01466 + Viscosity (mPa s) = 1.01486 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.886e-02 Mass of water (kg) = 1.000e+00 @@ -13592,7 +13592,7 @@ Initial solution 110. Specific Conductance (µS/cm, 20°C) = 4685 Density (g/cm³) = 1.00041 Volume (L) = 1.00253 - Viscosity (mPa s) = 1.01178 + Viscosity (mPa s) = 1.01183 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.789e-02 Mass of water (kg) = 1.000e+00 @@ -13716,7 +13716,7 @@ Initial solution 111. Specific Conductance (µS/cm, 20°C) = 4913 Density (g/cm³) = 1.00052 Volume (L) = 1.00262 - Viscosity (mPa s) = 1.01067 + Viscosity (mPa s) = 1.01069 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.622e-02 Mass of water (kg) = 1.000e+00 @@ -13840,7 +13840,7 @@ Initial solution 112. Specific Conductance (µS/cm, 20°C) = 5774 Density (g/cm³) = 1.00103 Volume (L) = 1.00274 - Viscosity (mPa s) = 1.01210 + Viscosity (mPa s) = 1.01211 Activity of water = 0.998 Ionic strength (mol/kgw) = 6.868e-02 Mass of water (kg) = 1.000e+00 @@ -13961,10 +13961,10 @@ Initial solution 113. pH = 7.530 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 6071 + Specific Conductance (µS/cm, 20°C) = 6070 Density (g/cm³) = 1.00126 Volume (L) = 1.00286 - Viscosity (mPa s) = 1.01442 + Viscosity (mPa s) = 1.01452 Activity of water = 0.998 Ionic strength (mol/kgw) = 7.248e-02 Mass of water (kg) = 1.000e+00 @@ -14085,10 +14085,10 @@ Initial solution 114. pH = 7.400 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 6967 + Specific Conductance (µS/cm, 20°C) = 6966 Density (g/cm³) = 1.00159 Volume (L) = 1.00295 - Viscosity (mPa s) = 1.01575 + Viscosity (mPa s) = 1.01586 Activity of water = 0.998 Ionic strength (mol/kgw) = 8.646e-02 Mass of water (kg) = 1.000e+00 @@ -14209,10 +14209,10 @@ Initial solution 115. pH = 7.230 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 7955 + Specific Conductance (µS/cm, 20°C) = 7953 Density (g/cm³) = 1.00231 Volume (L) = 1.00336 - Viscosity (mPa s) = 1.02017 + Viscosity (mPa s) = 1.02054 Activity of water = 0.997 Ionic strength (mol/kgw) = 9.714e-02 Mass of water (kg) = 1.000e+00 @@ -14333,10 +14333,10 @@ Initial solution 116. pH = 7.410 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 8663 + Specific Conductance (µS/cm, 20°C) = 8662 Density (g/cm³) = 1.00248 Volume (L) = 1.00321 - Viscosity (mPa s) = 1.01853 + Viscosity (mPa s) = 1.01863 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.113e-01 Mass of water (kg) = 1.000e+00 @@ -14457,10 +14457,10 @@ Initial solution 117. pH = 7.110 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 10104 + Specific Conductance (µS/cm, 20°C) = 10103 Density (g/cm³) = 1.00319 Volume (L) = 1.00329 - Viscosity (mPa s) = 1.02168 + Viscosity (mPa s) = 1.02181 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.406e-01 Mass of water (kg) = 1.000e+00 @@ -14581,10 +14581,10 @@ Initial solution 118. pH = 7.240 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 10157 + Specific Conductance (µS/cm, 20°C) = 10156 Density (g/cm³) = 1.00328 Volume (L) = 1.00335 - Viscosity (mPa s) = 1.01825 + Viscosity (mPa s) = 1.01831 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.335e-01 Mass of water (kg) = 1.000e+00 @@ -14705,10 +14705,10 @@ Initial solution 119. pH = 7.120 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 11901 + Specific Conductance (µS/cm, 20°C) = 11900 Density (g/cm³) = 1.00419 Volume (L) = 1.00356 - Viscosity (mPa s) = 1.02515 + Viscosity (mPa s) = 1.02530 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.704e-01 Mass of water (kg) = 1.000e+00 @@ -14832,7 +14832,7 @@ Initial solution 120. Specific Conductance (µS/cm, 20°C) = 13041 Density (g/cm³) = 1.00466 Volume (L) = 1.00388 - Viscosity (mPa s) = 1.02328 + Viscosity (mPa s) = 1.02335 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.731e-01 Mass of water (kg) = 1.000e+00 @@ -14953,10 +14953,10 @@ Initial solution 121. pH = 7.080 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 13327 + Specific Conductance (µS/cm, 20°C) = 13326 Density (g/cm³) = 1.00484 Volume (L) = 1.00385 - Viscosity (mPa s) = 1.02454 + Viscosity (mPa s) = 1.02461 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.829e-01 Mass of water (kg) = 1.000e+00 @@ -15080,7 +15080,7 @@ Initial solution 122. Specific Conductance (µS/cm, 20°C) = 14194 Density (g/cm³) = 1.00538 Volume (L) = 1.00393 - Viscosity (mPa s) = 1.02688 + Viscosity (mPa s) = 1.02694 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.014e-01 Mass of water (kg) = 1.000e+00 @@ -15204,7 +15204,7 @@ Initial solution 123. Specific Conductance (µS/cm, 20°C) = 15517 Density (g/cm³) = 1.00602 Volume (L) = 1.00413 - Viscosity (mPa s) = 1.02996 + Viscosity (mPa s) = 1.03003 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.237e-01 Mass of water (kg) = 1.000e+00 @@ -15325,10 +15325,10 @@ Initial solution 124. pH = 7.140 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 16860 + Specific Conductance (µS/cm, 20°C) = 16859 Density (g/cm³) = 1.00680 Volume (L) = 1.00438 - Viscosity (mPa s) = 1.02957 + Viscosity (mPa s) = 1.02962 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.390e-01 Mass of water (kg) = 1.000e+00 @@ -15449,10 +15449,10 @@ Initial solution 125. pH = 7.170 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 18293 + Specific Conductance (µS/cm, 20°C) = 18292 Density (g/cm³) = 1.00767 Volume (L) = 1.00483 - Viscosity (mPa s) = 1.03479 + Viscosity (mPa s) = 1.03488 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.636e-01 Mass of water (kg) = 1.000e+00 @@ -15573,10 +15573,10 @@ Initial solution 126. pH = 7.190 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 19952 + Specific Conductance (µS/cm, 20°C) = 19951 Density (g/cm³) = 1.00851 Volume (L) = 1.00510 - Viscosity (mPa s) = 1.03320 + Viscosity (mPa s) = 1.03325 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.769e-01 Mass of water (kg) = 1.000e+00 @@ -15697,10 +15697,10 @@ Initial solution 127. pH = 6.580 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 19718 + Specific Conductance (µS/cm, 20°C) = 19714 Density (g/cm³) = 1.00866 Volume (L) = 1.00470 - Viscosity (mPa s) = 1.04005 + Viscosity (mPa s) = 1.04030 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.100e-01 Mass of water (kg) = 1.000e+00 @@ -15821,10 +15821,10 @@ Initial solution 128. pH = 7.100 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 22200 + Specific Conductance (µS/cm, 20°C) = 22198 Density (g/cm³) = 1.00991 Volume (L) = 1.00543 - Viscosity (mPa s) = 1.04223 + Viscosity (mPa s) = 1.04233 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.298e-01 Mass of water (kg) = 1.000e+00 @@ -15945,10 +15945,10 @@ Initial solution 129. pH = 6.960 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 23598 + Specific Conductance (µS/cm, 20°C) = 23596 Density (g/cm³) = 1.01067 Volume (L) = 1.00590 - Viscosity (mPa s) = 1.04184 + Viscosity (mPa s) = 1.04197 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.396e-01 Mass of water (kg) = 1.000e+00 @@ -16069,10 +16069,10 @@ Initial solution 130. pH = 7.460 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 24054 + Specific Conductance (µS/cm, 20°C) = 24053 Density (g/cm³) = 1.01082 Volume (L) = 1.00598 - Viscosity (mPa s) = 1.04242 + Viscosity (mPa s) = 1.04246 Activity of water = 0.992 Ionic strength (mol/kgw) = 3.472e-01 Mass of water (kg) = 1.000e+00 @@ -16193,10 +16193,10 @@ Initial solution 131. pH = 7.060 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 25482 + Specific Conductance (µS/cm, 20°C) = 25480 Density (g/cm³) = 1.01146 Volume (L) = 1.00633 - Viscosity (mPa s) = 1.04221 + Viscosity (mPa s) = 1.04230 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.562e-01 Mass of water (kg) = 1.000e+00 @@ -16317,10 +16317,10 @@ Initial solution 132. pH = 7.010 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 26018 + Specific Conductance (µS/cm, 20°C) = 26017 Density (g/cm³) = 1.01228 Volume (L) = 1.00608 - Viscosity (mPa s) = 1.04869 + Viscosity (mPa s) = 1.04878 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.020e-01 Mass of water (kg) = 1.000e+00 @@ -16444,7 +16444,7 @@ Initial solution 133. Specific Conductance (µS/cm, 20°C) = 27842 Density (g/cm³) = 1.01281 Volume (L) = 1.00684 - Viscosity (mPa s) = 1.04485 + Viscosity (mPa s) = 1.04489 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.930e-01 Mass of water (kg) = 1.000e+00 @@ -16565,10 +16565,10 @@ Initial solution 134. pH = 6.990 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 29958 + Specific Conductance (µS/cm, 20°C) = 29955 Density (g/cm³) = 1.01398 Volume (L) = 1.00733 - Viscosity (mPa s) = 1.04888 + Viscosity (mPa s) = 1.04898 Activity of water = 0.989 Ionic strength (mol/kgw) = 4.252e-01 Mass of water (kg) = 1.000e+00 @@ -16689,10 +16689,10 @@ Initial solution 135. pH = 7.250 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 30590 + Specific Conductance (µS/cm, 20°C) = 30589 Density (g/cm³) = 1.01437 Volume (L) = 1.00752 - Viscosity (mPa s) = 1.04971 + Viscosity (mPa s) = 1.04977 Activity of water = 0.989 Ionic strength (mol/kgw) = 4.340e-01 Mass of water (kg) = 1.000e+00 @@ -16813,10 +16813,10 @@ Initial solution 136. pH = 7.040 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 35156 + Specific Conductance (µS/cm, 20°C) = 35154 Density (g/cm³) = 1.01763 Volume (L) = 1.00827 - Viscosity (mPa s) = 1.06120 + Viscosity (mPa s) = 1.06127 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.347e-01 Mass of water (kg) = 1.000e+00 @@ -16937,10 +16937,10 @@ Initial solution 137. pH = 7.020 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 35582 + Specific Conductance (µS/cm, 20°C) = 35580 Density (g/cm³) = 1.01762 Volume (L) = 1.00839 - Viscosity (mPa s) = 1.06105 + Viscosity (mPa s) = 1.06113 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.341e-01 Mass of water (kg) = 1.000e+00 @@ -17061,10 +17061,10 @@ Initial solution 138. pH = 7.220 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 32794 + Specific Conductance (µS/cm, 20°C) = 32793 Density (g/cm³) = 1.01581 Volume (L) = 1.00789 - Viscosity (mPa s) = 1.05599 + Viscosity (mPa s) = 1.05604 Activity of water = 0.988 Ionic strength (mol/kgw) = 4.823e-01 Mass of water (kg) = 1.000e+00 @@ -17185,10 +17185,10 @@ Initial solution 139. pH = 7.250 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 38647 + Specific Conductance (µS/cm, 20°C) = 38646 Density (g/cm³) = 1.01952 Volume (L) = 1.00917 - Viscosity (mPa s) = 1.06594 + Viscosity (mPa s) = 1.06598 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.807e-01 Mass of water (kg) = 1.000e+00 @@ -17310,10 +17310,10 @@ Initial solution 140. pH = 7.110 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 38040 + Specific Conductance (µS/cm, 20°C) = 38038 Density (g/cm³) = 1.01893 Volume (L) = 1.00900 - Viscosity (mPa s) = 1.06496 + Viscosity (mPa s) = 1.06504 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.696e-01 Mass of water (kg) = 1.000e+00 @@ -17436,10 +17436,10 @@ Initial solution 141. pH = 7.180 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 38086 + Specific Conductance (µS/cm, 20°C) = 38085 Density (g/cm³) = 1.01892 Volume (L) = 1.00913 - Viscosity (mPa s) = 1.06369 + Viscosity (mPa s) = 1.06373 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.659e-01 Mass of water (kg) = 1.000e+00 @@ -17560,10 +17560,10 @@ Initial solution 142. pH = 7.070 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 37998 + Specific Conductance (µS/cm, 20°C) = 37997 Density (g/cm³) = 1.01877 Volume (L) = 1.00916 - Viscosity (mPa s) = 1.06248 + Viscosity (mPa s) = 1.06253 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.605e-01 Mass of water (kg) = 1.000e+00 @@ -17684,10 +17684,10 @@ Initial solution 143. pH = 7.390 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 40218 + Specific Conductance (µS/cm, 20°C) = 40217 Density (g/cm³) = 1.02009 Volume (L) = 1.00967 - Viscosity (mPa s) = 1.06699 + Viscosity (mPa s) = 1.06702 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.954e-01 Mass of water (kg) = 1.000e+00 @@ -17808,10 +17808,10 @@ Initial solution 144. pH = 7.230 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 40911 + Specific Conductance (µS/cm, 20°C) = 40910 Density (g/cm³) = 1.02074 Volume (L) = 1.00973 - Viscosity (mPa s) = 1.06875 + Viscosity (mPa s) = 1.06878 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.151e-01 Mass of water (kg) = 1.000e+00 @@ -17932,10 +17932,10 @@ Initial solution 145. pH = 7.340 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 41019 + Specific Conductance (µS/cm, 20°C) = 41018 Density (g/cm³) = 1.02067 Volume (L) = 1.00983 - Viscosity (mPa s) = 1.06784 + Viscosity (mPa s) = 1.06787 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.109e-01 Mass of water (kg) = 1.000e+00 @@ -18057,10 +18057,10 @@ Initial solution 146. pH = 7.130 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 42243 + Specific Conductance (µS/cm, 20°C) = 42241 Density (g/cm³) = 1.02112 Volume (L) = 1.01010 - Viscosity (mPa s) = 1.06922 + Viscosity (mPa s) = 1.06927 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.243e-01 Mass of water (kg) = 1.000e+00 @@ -18185,7 +18185,7 @@ Initial solution 147. Specific Conductance (µS/cm, 20°C) = 229 Density (g/cm³) = 0.99834 Volume (L) = 1.00183 - Viscosity (mPa s) = 1.00299 + Viscosity (mPa s) = 1.00305 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.307e-03 Mass of water (kg) = 1.000e+00 @@ -18302,10 +18302,10 @@ Initial solution 148. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 429 + Specific Conductance (µS/cm, 20°C) = 428 Density (g/cm³) = 0.99849 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00457 + Viscosity (mPa s) = 1.00479 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.115e-03 Mass of water (kg) = 1.000e+00 @@ -18425,7 +18425,7 @@ Initial solution 149. Specific Conductance (µS/cm, 20°C) = 544 Density (g/cm³) = 0.99852 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00436 + Viscosity (mPa s) = 1.00447 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.011e-03 Mass of water (kg) = 1.000e+00 @@ -18541,10 +18541,10 @@ Initial solution 150. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 571 + Specific Conductance (µS/cm, 20°C) = 570 Density (g/cm³) = 0.99858 Volume (L) = 1.00190 - Viscosity (mPa s) = 1.00456 + Viscosity (mPa s) = 1.00479 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.827e-03 Mass of water (kg) = 1.000e+00 @@ -18645,10 +18645,10 @@ Initial solution 151. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 765 + Specific Conductance (µS/cm, 20°C) = 764 Density (g/cm³) = 0.99863 Volume (L) = 1.00196 - Viscosity (mPa s) = 1.00443 + Viscosity (mPa s) = 1.00461 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.870e-03 Mass of water (kg) = 1.000e+00 @@ -18734,7 +18734,7 @@ Initial solution 152. Specific Conductance (µS/cm, 20°C) = 1202 Density (g/cm³) = 0.99900 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00785 + Viscosity (mPa s) = 1.00789 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.203e-02 Mass of water (kg) = 1.000e+00 @@ -18854,7 +18854,7 @@ Initial solution 153. Specific Conductance (µS/cm, 20°C) = 1507 Density (g/cm³) = 0.99924 Volume (L) = 1.00203 - Viscosity (mPa s) = 1.00909 + Viscosity (mPa s) = 1.00946 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.240e-02 Mass of water (kg) = 1.000e+00 @@ -18971,10 +18971,10 @@ Initial solution 154. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1791 + Specific Conductance (µS/cm, 20°C) = 1789 Density (g/cm³) = 0.99952 Volume (L) = 1.00211 - Viscosity (mPa s) = 1.01171 + Viscosity (mPa s) = 1.01263 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.159e-02 Mass of water (kg) = 1.000e+00 @@ -19091,10 +19091,10 @@ Initial solution 155. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2019 + Specific Conductance (µS/cm, 20°C) = 2017 Density (g/cm³) = 0.99960 Volume (L) = 1.00229 - Viscosity (mPa s) = 1.01074 + Viscosity (mPa s) = 1.01180 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.722e-02 Mass of water (kg) = 1.000e+00 @@ -19331,10 +19331,10 @@ Initial solution 157. pH = 8.220 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2985 + Specific Conductance (µS/cm, 20°C) = 2984 Density (g/cm³) = 1.00027 Volume (L) = 1.00221 - Viscosity (mPa s) = 1.01447 + Viscosity (mPa s) = 1.01451 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.372e-02 Mass of water (kg) = 1.000e+00 @@ -19574,7 +19574,7 @@ Initial solution 159. Specific Conductance (µS/cm, 20°C) = 4195 Density (g/cm³) = 1.00145 Volume (L) = 1.00206 - Viscosity (mPa s) = 1.02182 + Viscosity (mPa s) = 1.02187 Activity of water = 0.999 Ionic strength (mol/kgw) = 8.239e-02 Mass of water (kg) = 1.000e+00 @@ -19694,7 +19694,7 @@ Initial solution 160. Specific Conductance (µS/cm, 20°C) = 4897 Density (g/cm³) = 1.00058 Volume (L) = 1.00238 - Viscosity (mPa s) = 1.01212 + Viscosity (mPa s) = 1.01217 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.911e-02 Mass of water (kg) = 1.000e+00 @@ -19934,7 +19934,7 @@ Initial solution 162. Specific Conductance (µS/cm, 20°C) = 8167 Density (g/cm³) = 1.00554 Volume (L) = 1.00224 - Viscosity (mPa s) = 1.04318 + Viscosity (mPa s) = 1.04319 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.933e-01 Mass of water (kg) = 1.000e+00 @@ -20054,7 +20054,7 @@ Initial solution 163. Specific Conductance (µS/cm, 20°C) = 8928 Density (g/cm³) = 1.00557 Volume (L) = 1.00251 - Viscosity (mPa s) = 1.03539 + Viscosity (mPa s) = 1.03542 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.858e-01 Mass of water (kg) = 1.000e+00 @@ -20414,7 +20414,7 @@ Initial solution 166. Specific Conductance (µS/cm, 20°C) = 15047 Density (g/cm³) = 1.00601 Volume (L) = 1.00420 - Viscosity (mPa s) = 1.02611 + Viscosity (mPa s) = 1.02617 Activity of water = 0.995 Ionic strength (mol/kgw) = 2.082e-01 Mass of water (kg) = 1.000e+00 @@ -20534,7 +20534,7 @@ Initial solution 167. Specific Conductance (µS/cm, 20°C) = 21094 Density (g/cm³) = 1.00931 Volume (L) = 1.00508 - Viscosity (mPa s) = 1.03896 + Viscosity (mPa s) = 1.03899 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.181e-01 Mass of water (kg) = 1.000e+00 @@ -20651,10 +20651,10 @@ Initial solution 168. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 25999 + Specific Conductance (µS/cm, 20°C) = 25998 Density (g/cm³) = 1.01207 Volume (L) = 1.00577 - Viscosity (mPa s) = 1.05193 + Viscosity (mPa s) = 1.05196 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.184e-01 Mass of water (kg) = 1.000e+00 @@ -20771,10 +20771,10 @@ Initial solution 169. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 45240 + Specific Conductance (µS/cm, 20°C) = 45239 Density (g/cm³) = 1.02423 Volume (L) = 1.01018 - Viscosity (mPa s) = 1.08466 + Viscosity (mPa s) = 1.08470 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.544e-01 Mass of water (kg) = 1.000e+00 @@ -20891,10 +20891,10 @@ Initial solution 170. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 66423 + Specific Conductance (µS/cm, 20°C) = 66420 Density (g/cm³) = 1.04190 Volume (L) = 1.01707 - Viscosity (mPa s) = 1.11681 + Viscosity (mPa s) = 1.11687 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.118e+00 Mass of water (kg) = 1.000e+00 @@ -21014,7 +21014,7 @@ Initial solution 171. Specific Conductance (µS/cm, 20°C) = 40 Density (g/cm³) = 0.99823 Volume (L) = 1.00181 - Viscosity (mPa s) = 1.00207 + Viscosity (mPa s) = 1.00215 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.942e-04 Mass of water (kg) = 1.000e+00 @@ -21123,7 +21123,7 @@ Initial solution 172. Specific Conductance (µS/cm, 20°C) = 80 Density (g/cm³) = 0.99826 Volume (L) = 1.00181 - Viscosity (mPa s) = 1.00227 + Viscosity (mPa s) = 1.00229 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.134e-03 Mass of water (kg) = 1.000e+00 @@ -21246,7 +21246,7 @@ Initial solution 173. Specific Conductance (µS/cm, 20°C) = 81 Density (g/cm³) = 0.99826 Volume (L) = 1.00182 - Viscosity (mPa s) = 1.00228 + Viscosity (mPa s) = 1.00238 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.141e-03 Mass of water (kg) = 1.000e+00 @@ -21369,7 +21369,7 @@ Initial solution 174. Specific Conductance (µS/cm, 20°C) = 136 Density (g/cm³) = 0.99830 Volume (L) = 1.00182 - Viscosity (mPa s) = 1.00277 + Viscosity (mPa s) = 1.00279 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.157e-03 Mass of water (kg) = 1.000e+00 @@ -21492,7 +21492,7 @@ Initial solution 175. Specific Conductance (µS/cm, 20°C) = 133 Density (g/cm³) = 0.99830 Volume (L) = 1.00183 - Viscosity (mPa s) = 1.00279 + Viscosity (mPa s) = 1.00294 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.154e-03 Mass of water (kg) = 1.000e+00 @@ -21615,7 +21615,7 @@ Initial solution 176. Specific Conductance (µS/cm, 20°C) = 258 Density (g/cm³) = 0.99840 Volume (L) = 1.00184 - Viscosity (mPa s) = 1.00372 + Viscosity (mPa s) = 1.00384 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.451e-03 Mass of water (kg) = 1.000e+00 @@ -21738,7 +21738,7 @@ Initial solution 177. Specific Conductance (µS/cm, 20°C) = 1173 Density (g/cm³) = 0.99891 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00603 + Viscosity (mPa s) = 1.00604 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.628e-02 Mass of water (kg) = 1.000e+00 @@ -21858,10 +21858,10 @@ Initial solution 178. pH = 6.500 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2325 + Specific Conductance (µS/cm, 20°C) = 2312 Density (g/cm³) = 0.99996 Volume (L) = 1.00267 - Viscosity (mPa s) = 1.01507 + Viscosity (mPa s) = 1.02022 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.044e-02 Mass of water (kg) = 1.000e+00 @@ -21983,7 +21983,7 @@ Initial solution 179. Specific Conductance (µS/cm, 20°C) = 3026 Density (g/cm³) = 1.00072 Volume (L) = 1.00181 - Viscosity (mPa s) = 1.01903 + Viscosity (mPa s) = 1.01905 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.062e-02 Mass of water (kg) = 1.000e+00 @@ -22087,10 +22087,10 @@ Initial solution 180. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 2666 + Specific Conductance (µS/cm, 20°C) = 2665 Density (g/cm³) = 0.99990 Volume (L) = 1.00236 - Viscosity (mPa s) = 1.01162 + Viscosity (mPa s) = 1.01232 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.428e-02 Mass of water (kg) = 1.000e+00 @@ -22196,7 +22196,7 @@ Initial solution 181. Specific Conductance (µS/cm, 20°C) = 3776 Density (g/cm³) = 1.00065 Volume (L) = 1.00206 - Viscosity (mPa s) = 1.01477 + Viscosity (mPa s) = 1.01484 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.769e-02 Mass of water (kg) = 1.000e+00 @@ -22400,10 +22400,10 @@ Initial solution 183. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 6811 + Specific Conductance (µS/cm, 20°C) = 6809 Density (g/cm³) = 1.00226 Volume (L) = 1.00296 - Viscosity (mPa s) = 1.01906 + Viscosity (mPa s) = 1.01942 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.337e-02 Mass of water (kg) = 1.000e+00 @@ -22505,10 +22505,10 @@ Initial solution 184. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 9270 + Specific Conductance (µS/cm, 20°C) = 9269 Density (g/cm³) = 1.00339 Volume (L) = 1.00325 - Viscosity (mPa s) = 1.01763 + Viscosity (mPa s) = 1.01771 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.259e-01 Mass of water (kg) = 1.000e+00 @@ -22610,10 +22610,10 @@ Initial solution 185. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 15434 + Specific Conductance (µS/cm, 20°C) = 15433 Density (g/cm³) = 1.00610 Volume (L) = 1.00448 - Viscosity (mPa s) = 1.02316 + Viscosity (mPa s) = 1.02322 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.973e-01 Mass of water (kg) = 1.000e+00 @@ -22720,7 +22720,7 @@ Initial solution 186. Specific Conductance (µS/cm, 20°C) = 15397 Density (g/cm³) = 1.00547 Volume (L) = 1.00437 - Viscosity (mPa s) = 1.02128 + Viscosity (mPa s) = 1.02131 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.932e-01 Mass of water (kg) = 1.000e+00 @@ -22838,10 +22838,10 @@ Initial solution 187. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 27959 + Specific Conductance (µS/cm, 20°C) = 27949 Density (g/cm³) = 1.01293 Volume (L) = 1.00736 - Viscosity (mPa s) = 1.05356 + Viscosity (mPa s) = 1.05403 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.939e-01 Mass of water (kg) = 1.000e+00 @@ -22943,10 +22943,10 @@ Initial solution 188. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 82050 + Specific Conductance (µS/cm, 20°C) = 82036 Density (g/cm³) = 1.04355 Volume (L) = 1.02148 - Viscosity (mPa s) = 1.12648 + Viscosity (mPa s) = 1.12673 Activity of water = 0.964 Ionic strength (mol/kgw) = 1.212e+00 Mass of water (kg) = 1.000e+00 @@ -23048,10 +23048,10 @@ Initial solution 189. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 86447 + Specific Conductance (µS/cm, 20°C) = 86437 Density (g/cm³) = 1.04605 Volume (L) = 1.02278 - Viscosity (mPa s) = 1.13981 + Viscosity (mPa s) = 1.13999 Activity of water = 0.961 Ionic strength (mol/kgw) = 1.303e+00 Mass of water (kg) = 1.000e+00 @@ -23153,10 +23153,10 @@ Initial solution 190. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 147774 + Specific Conductance (µS/cm, 20°C) = 147767 Density (g/cm³) = 1.08877 Volume (L) = 1.04754 - Viscosity (mPa s) = 1.28059 + Viscosity (mPa s) = 1.28068 Activity of water = 0.918 Ionic strength (mol/kgw) = 2.569e+00 Mass of water (kg) = 1.000e+00 @@ -23259,10 +23259,10 @@ Initial solution 191. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 148590 + Specific Conductance (µS/cm, 20°C) = 148589 Density (g/cm³) = 1.09277 Volume (L) = 1.04589 - Viscosity (mPa s) = 1.30406 + Viscosity (mPa s) = 1.30407 Activity of water = 0.916 Ionic strength (mol/kgw) = 2.740e+00 Mass of water (kg) = 1.000e+00 @@ -23379,10 +23379,10 @@ Initial solution 192. pH = 6.900 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 57150 + Specific Conductance (µS/cm, 20°C) = 57144 Density (g/cm³) = 1.02845 Volume (L) = 1.01412 - Viscosity (mPa s) = 1.08020 + Viscosity (mPa s) = 1.08036 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.014e-01 Mass of water (kg) = 1.000e+00 @@ -23501,7 +23501,7 @@ Initial solution 193. Specific Conductance (µS/cm, 20°C) = 2767 Density (g/cm³) = 1.00011 Volume (L) = 1.00212 - Viscosity (mPa s) = 1.01317 + Viscosity (mPa s) = 1.01329 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.291e-02 Mass of water (kg) = 1.000e+00 @@ -23608,7 +23608,7 @@ Initial solution 194. Specific Conductance (µS/cm, 20°C) = 2875 Density (g/cm³) = 1.00049 Volume (L) = 1.00263 - Viscosity (mPa s) = 1.01590 + Viscosity (mPa s) = 1.01612 Activity of water = 0.999 Ionic strength (mol/kgw) = 3.912e-02 Mass of water (kg) = 1.000e+00 @@ -23732,7 +23732,7 @@ Initial solution 195. Specific Conductance (µS/cm, 20°C) = 3895 Density (g/cm³) = 1.00130 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.02004 + Viscosity (mPa s) = 1.02005 Activity of water = 0.999 Ionic strength (mol/kgw) = 8.733e-02 Mass of water (kg) = 1.000e+00 @@ -23858,7 +23858,7 @@ Initial solution 196. Specific Conductance (µS/cm, 20°C) = 1939 Density (g/cm³) = 0.99958 Volume (L) = 1.00194 - Viscosity (mPa s) = 1.00926 + Viscosity (mPa s) = 1.00945 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.112e-02 Mass of water (kg) = 1.000e+00 @@ -23978,10 +23978,10 @@ Initial solution 197. pH = 7.180 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1929 + Specific Conductance (µS/cm, 20°C) = 1928 Density (g/cm³) = 0.99965 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00909 + Viscosity (mPa s) = 1.00924 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.000e-02 Mass of water (kg) = 1.000e+00 @@ -24101,10 +24101,10 @@ Initial solution 198. pH = 7.080 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1692 + Specific Conductance (µS/cm, 20°C) = 1691 Density (g/cm³) = 0.99947 Volume (L) = 1.00193 - Viscosity (mPa s) = 1.00851 + Viscosity (mPa s) = 1.00874 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.606e-02 Mass of water (kg) = 1.000e+00 @@ -24226,7 +24226,7 @@ Initial solution 199. Specific Conductance (µS/cm, 20°C) = 928 Density (g/cm³) = 0.99879 Volume (L) = 1.00190 - Viscosity (mPa s) = 1.00654 + Viscosity (mPa s) = 1.00664 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.507e-02 Mass of water (kg) = 1.000e+00 @@ -24346,7 +24346,7 @@ Initial solution 200. Specific Conductance (µS/cm, 20°C) = 1139 Density (g/cm³) = 0.99894 Volume (L) = 1.00191 - Viscosity (mPa s) = 1.00763 + Viscosity (mPa s) = 1.00778 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.921e-02 Mass of water (kg) = 1.000e+00 @@ -24466,7 +24466,7 @@ Initial solution 201. Specific Conductance (µS/cm, 20°C) = 1051 Density (g/cm³) = 0.99887 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00683 + Viscosity (mPa s) = 1.00697 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.657e-02 Mass of water (kg) = 1.000e+00 @@ -24587,7 +24587,7 @@ Initial solution 202. Specific Conductance (µS/cm, 20°C) = 1413 Density (g/cm³) = 0.99913 Volume (L) = 1.00198 - Viscosity (mPa s) = 1.00873 + Viscosity (mPa s) = 1.00904 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.344e-02 Mass of water (kg) = 1.000e+00 @@ -24829,7 +24829,7 @@ Initial solution 204. Specific Conductance (µS/cm, 20°C) = 270 Density (g/cm³) = 0.99838 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00329 + Viscosity (mPa s) = 1.00350 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.954e-03 Mass of water (kg) = 1.000e+00 @@ -24950,7 +24950,7 @@ Initial solution 205. Specific Conductance (µS/cm, 20°C) = 721 Density (g/cm³) = 0.99867 Volume (L) = 1.00184 - Viscosity (mPa s) = 1.00598 + Viscosity (mPa s) = 1.00600 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.258e-02 Mass of water (kg) = 1.000e+00 @@ -25072,7 +25072,7 @@ Initial solution 206. Specific Conductance (µS/cm, 20°C) = 1100 Density (g/cm³) = 0.99895 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00829 + Viscosity (mPa s) = 1.00838 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.998e-02 Mass of water (kg) = 1.000e+00 @@ -25181,7 +25181,7 @@ Initial solution 207. Specific Conductance (µS/cm, 20°C) = 3243 Density (g/cm³) = 1.00055 Volume (L) = 1.00211 - Viscosity (mPa s) = 1.01625 + Viscosity (mPa s) = 1.01627 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.361e-02 Mass of water (kg) = 1.000e+00 @@ -25300,10 +25300,10 @@ Initial solution 208. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1547 + Specific Conductance (µS/cm, 20°C) = 1546 Density (g/cm³) = 0.99926 Volume (L) = 1.00206 - Viscosity (mPa s) = 1.00851 + Viscosity (mPa s) = 1.00896 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.185e-02 Mass of water (kg) = 1.000e+00 @@ -25412,7 +25412,7 @@ Initial solution 209. Specific Conductance (µS/cm, 20°C) = 525 Density (g/cm³) = 0.99852 Volume (L) = 1.00185 - Viscosity (mPa s) = 1.00456 + Viscosity (mPa s) = 1.00464 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.330e-03 Mass of water (kg) = 1.000e+00 @@ -25634,7 +25634,7 @@ Initial solution 211. Specific Conductance (µS/cm, 20°C) = 589 Density (g/cm³) = 0.99861 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00560 + Viscosity (mPa s) = 1.00588 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.033e-02 Mass of water (kg) = 1.000e+00 @@ -25754,7 +25754,7 @@ Initial solution 212. Specific Conductance (µS/cm, 20°C) = 5835 Density (g/cm³) = 1.00232 Volume (L) = 1.00211 - Viscosity (mPa s) = 1.02303 + Viscosity (mPa s) = 1.02304 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.189e-01 Mass of water (kg) = 1.000e+00 @@ -25870,10 +25870,10 @@ Initial solution 213. pH = 7.530 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 14390 + Specific Conductance (µS/cm, 20°C) = 14385 Density (g/cm³) = 1.00603 Volume (L) = 1.00470 - Viscosity (mPa s) = 1.03871 + Viscosity (mPa s) = 1.03909 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.906e-01 Mass of water (kg) = 1.000e+00 @@ -25962,10 +25962,10 @@ Initial solution 214. pH = 7.650 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 24547 + Specific Conductance (µS/cm, 20°C) = 24543 Density (g/cm³) = 1.01109 Volume (L) = 1.00683 - Viscosity (mPa s) = 1.05179 + Viscosity (mPa s) = 1.05200 Activity of water = 0.991 Ionic strength (mol/kgw) = 3.258e-01 Mass of water (kg) = 1.000e+00 @@ -26055,10 +26055,10 @@ Initial solution 215. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 6729 + Specific Conductance (µS/cm, 20°C) = 6680 Density (g/cm³) = 1.00378 Volume (L) = 1.00433 - Viscosity (mPa s) = 1.03440 + Viscosity (mPa s) = 1.04181 Activity of water = 0.997 Ionic strength (mol/kgw) = 9.704e-02 Mass of water (kg) = 1.000e+00 @@ -26174,10 +26174,10 @@ Initial solution 216. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 6914 + Specific Conductance (µS/cm, 20°C) = 6863 Density (g/cm³) = 1.00395 Volume (L) = 1.00439 - Viscosity (mPa s) = 1.03523 + Viscosity (mPa s) = 1.04284 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.005e-01 Mass of water (kg) = 1.000e+00 @@ -26269,10 +26269,10 @@ Initial solution 217. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 8699 + Specific Conductance (µS/cm, 20°C) = 8687 Density (g/cm³) = 1.00354 Volume (L) = 1.00344 - Viscosity (mPa s) = 1.03409 + Viscosity (mPa s) = 1.03562 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.409e-01 Mass of water (kg) = 1.000e+00 @@ -26389,10 +26389,10 @@ Initial solution 218. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 5417 + Specific Conductance (µS/cm, 20°C) = 5404 Density (g/cm³) = 1.00186 Volume (L) = 1.00323 - Viscosity (mPa s) = 1.02446 + Viscosity (mPa s) = 1.02701 Activity of water = 0.998 Ionic strength (mol/kgw) = 7.823e-02 Mass of water (kg) = 1.000e+00 @@ -26509,10 +26509,10 @@ Initial solution 219. pH = 6.940 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 10479 + Specific Conductance (µS/cm, 20°C) = 10469 Density (g/cm³) = 1.00386 Volume (L) = 1.00396 - Viscosity (mPa s) = 1.02976 + Viscosity (mPa s) = 1.03091 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.402e-01 Mass of water (kg) = 1.000e+00 @@ -26630,10 +26630,10 @@ Initial solution 220. pH = 7.460 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 7234 + Specific Conductance (µS/cm, 20°C) = 7231 Density (g/cm³) = 1.00227 Volume (L) = 1.00328 - Viscosity (mPa s) = 1.02464 + Viscosity (mPa s) = 1.02512 Activity of water = 0.997 Ionic strength (mol/kgw) = 9.571e-02 Mass of water (kg) = 1.000e+00 @@ -26752,10 +26752,10 @@ Initial solution 221. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 4913 + Specific Conductance (µS/cm, 20°C) = 4897 Density (g/cm³) = 1.00169 Volume (L) = 1.00339 - Viscosity (mPa s) = 1.02294 + Viscosity (mPa s) = 1.02647 Activity of water = 0.998 Ionic strength (mol/kgw) = 6.465e-02 Mass of water (kg) = 1.000e+00 @@ -26846,10 +26846,10 @@ Initial solution 222. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 7689 + Specific Conductance (µS/cm, 20°C) = 7680 Density (g/cm³) = 1.00256 Volume (L) = 1.00360 - Viscosity (mPa s) = 1.02529 + Viscosity (mPa s) = 1.02671 Activity of water = 0.997 Ionic strength (mol/kgw) = 9.829e-02 Mass of water (kg) = 1.000e+00 @@ -26970,10 +26970,10 @@ Initial solution 223. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 16108 + Specific Conductance (µS/cm, 20°C) = 16090 Density (g/cm³) = 1.00704 Volume (L) = 1.00533 - Viscosity (mPa s) = 1.04284 + Viscosity (mPa s) = 1.04425 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.139e-01 Mass of water (kg) = 1.000e+00 @@ -27094,10 +27094,10 @@ Initial solution 224. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 19666 + Specific Conductance (µS/cm, 20°C) = 19653 Density (g/cm³) = 1.00843 Volume (L) = 1.00589 - Viscosity (mPa s) = 1.04318 + Viscosity (mPa s) = 1.04404 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.588e-01 Mass of water (kg) = 1.000e+00 @@ -27218,10 +27218,10 @@ Initial solution 225. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 14220 + Specific Conductance (µS/cm, 20°C) = 14206 Density (g/cm³) = 1.00594 Volume (L) = 1.00490 - Viscosity (mPa s) = 1.03714 + Viscosity (mPa s) = 1.03842 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.835e-01 Mass of water (kg) = 1.000e+00 @@ -27341,10 +27341,10 @@ Initial solution 226. pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 26417 + Specific Conductance (µS/cm, 20°C) = 26399 Density (g/cm³) = 1.01210 Volume (L) = 1.00734 - Viscosity (mPa s) = 1.05533 + Viscosity (mPa s) = 1.05620 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.556e-01 Mass of water (kg) = 1.000e+00 @@ -27453,7 +27453,7 @@ Initial solution 227. Specific Conductance (µS/cm, 20°C) = 220901 Density (g/cm³) = 1.21114 Volume (L) = 1.13348 - Viscosity (mPa s) = 2.08789 + Viscosity (mPa s) = 2.08790 Activity of water = 0.749 Ionic strength (mol/kgw) = 6.611e+00 Mass of water (kg) = 1.000e+00 @@ -27571,10 +27571,10 @@ Initial solution 228. pH = 7.600 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 5336 + Specific Conductance (µS/cm, 20°C) = 5335 Density (g/cm³) = 1.00113 Volume (L) = 1.00291 - Viscosity (mPa s) = 1.01657 + Viscosity (mPa s) = 1.01680 Activity of water = 0.998 Ionic strength (mol/kgw) = 6.263e-02 Mass of water (kg) = 1.000e+00 @@ -27697,7 +27697,7 @@ Initial solution 229. Specific Conductance (µS/cm, 20°C) = 1855 Density (g/cm³) = 0.99942 Volume (L) = 1.00219 - Viscosity (mPa s) = 1.00965 + Viscosity (mPa s) = 1.00969 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.350e-02 Mass of water (kg) = 1.000e+00 @@ -27820,7 +27820,7 @@ Initial solution 230. Specific Conductance (µS/cm, 20°C) = 3599 Density (g/cm³) = 1.00005 Volume (L) = 1.00247 - Viscosity (mPa s) = 1.01123 + Viscosity (mPa s) = 1.01135 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.251e-02 Mass of water (kg) = 1.000e+00 @@ -27941,10 +27941,10 @@ Initial solution 231. pH = 7.580 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 1882 + Specific Conductance (µS/cm, 20°C) = 1881 Density (g/cm³) = 0.99946 Volume (L) = 1.00220 - Viscosity (mPa s) = 1.01041 + Viscosity (mPa s) = 1.01077 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.740e-02 Mass of water (kg) = 1.000e+00 @@ -28068,7 +28068,7 @@ Initial solution 232. Specific Conductance (µS/cm, 20°C) = 4551 Density (g/cm³) = 1.00054 Volume (L) = 1.00262 - Viscosity (mPa s) = 1.01236 + Viscosity (mPa s) = 1.01237 Activity of water = 0.998 Ionic strength (mol/kgw) = 5.221e-02 Mass of water (kg) = 1.000e+00 @@ -28192,7 +28192,7 @@ Initial solution 233. Specific Conductance (µS/cm, 20°C) = 2051 Density (g/cm³) = 0.99937 Volume (L) = 1.00223 - Viscosity (mPa s) = 1.00870 + Viscosity (mPa s) = 1.00888 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.414e-02 Mass of water (kg) = 1.000e+00 @@ -28316,7 +28316,7 @@ Initial solution 234. Specific Conductance (µS/cm, 20°C) = 1738 Density (g/cm³) = 0.99904 Volume (L) = 1.00203 - Viscosity (mPa s) = 1.00683 + Viscosity (mPa s) = 1.00685 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.274e-02 Mass of water (kg) = 1.000e+00 @@ -28440,7 +28440,7 @@ Initial solution 235. Specific Conductance (µS/cm, 20°C) = 607 Density (g/cm³) = 0.99849 Volume (L) = 1.00187 - Viscosity (mPa s) = 1.00333 + Viscosity (mPa s) = 1.00336 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.458e-03 Mass of water (kg) = 1.000e+00 @@ -28564,7 +28564,7 @@ Initial solution 236. Specific Conductance (µS/cm, 20°C) = 1249 Density (g/cm³) = 0.99881 Volume (L) = 1.00195 - Viscosity (mPa s) = 1.00582 + Viscosity (mPa s) = 1.00585 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.717e-02 Mass of water (kg) = 1.000e+00 @@ -28689,7 +28689,7 @@ Initial solution 237. Specific Conductance (µS/cm, 20°C) = 467 Density (g/cm³) = 0.99841 Volume (L) = 1.00186 - Viscosity (mPa s) = 1.00257 + Viscosity (mPa s) = 1.00258 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.992e-03 Mass of water (kg) = 1.000e+00 @@ -28812,10 +28812,10 @@ Initial solution 238. pH = 6.510 pe = 4.000 - Specific Conductance (µS/cm, 20°C) = 134844 + Specific Conductance (µS/cm, 20°C) = 134836 Density (g/cm³) = 1.08016 Volume (L) = 1.04115 - Viscosity (mPa s) = 1.24250 + Viscosity (mPa s) = 1.24259 Activity of water = 0.928 Ionic strength (mol/kgw) = 2.252e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/stuyfz_101.sel b/mytest/stuyfz_101.sel index 6ee618601..cc5faec18 100644 --- a/mytest/stuyfz_101.sel +++ b/mytest/stuyfz_101.sel @@ -10,230 +10,230 @@ 0.002710775207 274.1250627710 0.002481683750 242.6948729359 0.003043372423 296.9322167539 - 0.003390796836 317.6609079351 - 0.003998246728 385.1194955915 + 0.003390796836 317.6589903216 + 0.003998246728 385.1105957935 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4897.4842957786 + 0.098290483619 7680.5914509801 + 0.213910587764 16090.9884414105 + 0.258772507350 19653.9067333347 + 0.183549028247 14206.5393644507 + 0.355647727342 26399.6005667244 + 6.611049310220 220901.0073587242 + 0.062632307493 5335.1456644211 + 0.023502287788 1855.1296751256 + 0.042508259900 3599.6177747975 + 0.027400522165 1881.5907168680 + 0.052213718982 4551.1580660692 + 0.024141484769 2051.3641877617 + 0.022737845277 1738.2699062551 + 0.007458039749 607.6509882900 + 0.017169241434 1249.1153092710 + 0.004991758223 467.1276067091 + 2.252201044759 134836.8474025618 diff --git a/mytest/surf_check.out b/mytest/surf_check.out index 3a8cf51df..3ad4df6c0 100644 --- a/mytest/surf_check.out +++ b/mytest/surf_check.out @@ -176,7 +176,6 @@ H(0) 1.383e-27 H2 6.917e-28 7.079e-28 -27.160 -27.150 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.845e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.730e-18 7.912e-18 -17.112 -17.102 0.010 (0) O(0) 1.614e-38 O2 8.068e-39 8.258e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-04 @@ -405,7 +404,6 @@ H(0) 1.176e-22 H2 5.882e-23 6.019e-23 -22.230 -22.220 0.010 28.61 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.558e-17 1.594e-17 -16.807 -16.797 0.010 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.952 -47.942 0.010 30.40 Zn 2.299e-08 diff --git a/mytest/surf_check_101.sel b/mytest/surf_check_101.sel index c51aeafdf..2a050016a 100644 --- a/mytest/surf_check_101.sel +++ b/mytest/surf_check_101.sel @@ -1,3 +1,3 @@ Mu SC - 0.101051005856 10606.4999886161 - 0.100000953795 10609.3458054783 + 0.101051005856 10606.4997093937 + 0.100000953795 10609.3452477973 diff --git a/mytest/surf_kin_related.out b/mytest/surf_kin_related.out index 7ab4b3f15..9b5423be5 100644 --- a/mytest/surf_kin_related.out +++ b/mytest/surf_kin_related.out @@ -306,10 +306,10 @@ Hfo_w pH = 12.067 Charge balance pe = 9.747 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 20°C) = 32967 + Specific Conductance (µS/cm, 20°C) = 32956 Density (g/cm³) = 1.06355 Volume (L) = 1.00978 - Viscosity (mPa s) = 1.12204 + Viscosity (mPa s) = 1.12330 Activity of water = 0.971 Ionic strength (mol/kgw) = 7.573e-01 Mass of water (kg) = 1.001e+00 @@ -399,7 +399,6 @@ Mn(3) 6.968e-18 Na 4.996e-01 Na+ 4.574e-01 3.303e-01 -0.340 -0.481 -0.141 -0.69 NaF 4.220e-02 5.024e-02 -1.375 -1.299 0.076 7.06 - NaOH 2.154e-13 2.564e-13 -12.667 -12.591 0.076 (0) O(0) 4.918e-01 O2 2.459e-01 2.928e-01 -0.609 -0.533 0.076 29.98 diff --git a/mytest/surf_kin_related_101.sel b/mytest/surf_kin_related_101.sel index 5e810dc24..727140f3d 100644 --- a/mytest/surf_kin_related_101.sel +++ b/mytest/surf_kin_related_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.045864721837 2950.4341790071 - 0.013500099900 981.5745637220 - 0.757268641952 32967.1839066420 + 0.045864721837 2950.4341788592 + 0.013500099900 981.5745624908 + 0.757268641952 32956.7409937620 diff --git a/mytest/surf_kin_related_pz_101.sel b/mytest/surf_kin_related_pz_101.sel index 54cda882c..9c1683503 100644 --- a/mytest/surf_kin_related_pz_101.sel +++ b/mytest/surf_kin_related_pz_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.045001198815 3061.8922316245 - 0.059064578924 2480.7447028215 - 1.951906230724 35072.0552803719 + 0.045001198815 3061.8922311230 + 0.059064578924 2480.7446920265 + 1.951906230724 35072.0529213232 diff --git a/mytest/surf_related_pz_101.sel b/mytest/surf_related_pz_101.sel index faf6ba63c..513350b97 100644 --- a/mytest/surf_related_pz_101.sel +++ b/mytest/surf_related_pz_101.sel @@ -1,25 +1,25 @@ Mu SC - 0.000000100645 0.0546913894 - 0.060214569457 2826.4184901212 - 0.060214569458 2826.4184901206 + 0.000000100645 0.0546913895 + 0.060214569457 2826.4184692076 + 0.060214569458 2826.4184692070 0.392249089231 66312.7444861853 0.392249089231 66312.7444861783 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.060259435956 2835.3330296500 - 0.000000100645 0.0546913894 - 0.060214569457 2826.4184901212 - 0.060214569458 2826.4184901206 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.060259435956 2835.3329609021 + 0.000000100645 0.0546913895 + 0.060214569457 2826.4184692076 + 0.060214569458 2826.4184692070 0.341438955072 75033.6847951203 0.341438955076 75033.6847951007 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.060259435956 2835.3330296500 - 0.000000100645 0.0546913894 - 0.060214569457 2826.4184901212 - 0.060214569458 2826.4184901206 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.060259435956 2835.3329609021 + 0.000000100645 0.0546913895 + 0.060214569457 2826.4184692076 + 0.060214569458 2826.4184692070 0.341571314964 75244.7219155475 0.341571314968 75244.7219155284 - 0.000000100645 0.0546913894 - 0.000000100645 0.0546913894 - 0.062301509041 2954.9947298130 + 0.000000100645 0.0546913895 + 0.000000100645 0.0546913895 + 0.062301509041 2954.9946352375 diff --git a/mytest/surf_related_warnings.out b/mytest/surf_related_warnings.out index 1faa88a93..9eedc21f0 100644 --- a/mytest/surf_related_warnings.out +++ b/mytest/surf_related_warnings.out @@ -91,7 +91,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -190,7 +189,6 @@ H(0) 3.515e-28 H2 1.757e-28 1.758e-28 -27.755 -27.755 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 2.697e-37 O2 1.349e-37 1.349e-37 -36.870 -36.870 0.000 30.40 @@ -325,12 +323,12 @@ Goethite -5.16 -6.16 -1.00 1.000e-01 0 -1.000e-01 Diffuse Double Layer Surface-Complexation Model Hfo - 2.211e-25 Surface + diffuse layer charge, eq - 2.211e-25 Surface charge, eq + 4.853e-21 Surface + diffuse layer charge, eq + 4.853e-21 Surface charge, eq undefined sigma, C/m² - -1.741e-02 psi, V - 6.777e-01 -F*psi/RT - 1.969e+00 exp(-F*psi/RT) + 2.231e-02 psi, V + -8.684e-01 -F*psi/RT + 4.196e-01 exp(-F*psi/RT) 2.000e+03 specific area, m²/mol Goethite 0.000e+00 m² for 0.000e+00 moles of Goethite @@ -341,11 +339,11 @@ Hfo_w Mole Log Species Moles Fraction Molality Molality - Hfo_wOH2+ 2.211e-25 0.000 2.203e-25 -24.657 - Hfo_wOH 1.745e-33 0.000 1.739e-33 -32.760 - Hfo_wO- 3.156e-43 0.000 3.144e-43 -42.502 - Hfo_wOFe+ 1.108e-47 0.000 1.104e-47 -46.957 - Hfo_wOFeOH 3.842e-57 0.000 3.829e-57 -56.417 + Hfo_wOH2+ 4.853e-21 0.000 4.836e-21 -20.316 + Hfo_wOH 1.798e-28 0.000 1.791e-28 -27.747 + Hfo_wO- 1.526e-37 0.000 1.520e-37 -36.818 + Hfo_wOFe+ 1.882e-43 0.000 1.875e-43 -42.727 + Hfo_wOFeOH 3.064e-52 0.000 3.053e-52 -51.515 -----------------------------Solution composition------------------------------ @@ -358,7 +356,7 @@ Hfo_w ----------------------------Description of solution---------------------------- pH = -0.518 Charge balance - pe = 19.562 Adjusted to redox equilibrium + pe = 19.673 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 936454 Density (g/cm³) = 1.08090 Volume (L) = 1.10210 @@ -368,9 +366,9 @@ Hfo_w Mass of water (kg) = 1.004e+00 Total alkalinity (eq/kg) = -4.882e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.416e-09 + Electrical balance (eq) = -1.415e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 1 (32 overall) + Iterations = 1 (23 overall) Total H = 1.161124e+02 Total O = 5.570622e+01 @@ -388,13 +386,13 @@ Cl 4.983e+00 HCl 2.881e-02 3.217e+00 -1.541 0.507 2.048 (0) FeCl+2 2.837e-02 3.024e-03 -1.547 -2.519 -0.972 (0) FeCl3 3.574e-03 1.082e-02 -2.447 -1.966 0.481 (0) - FeCl+ 1.632e-11 3.968e-11 -10.787 -10.401 0.386 (0) -Fe(2) 8.667e-11 - Fe+2 7.036e-11 1.015e-11 -10.153 -10.993 -0.841 -18.17 - FeCl+ 1.632e-11 3.968e-11 -10.787 -10.401 0.386 (0) - FeOH+ 1.426e-21 8.151e-22 -20.846 -21.089 -0.243 (0) - Fe(OH)2 5.815e-34 1.761e-33 -33.235 -32.754 0.481 (0) - Fe(OH)3- 0.000e+00 0.000e+00 -43.537 -43.780 -0.243 (0) + FeCl+ 1.263e-11 3.071e-11 -10.899 -10.513 0.386 (0) +Fe(2) 6.708e-11 + Fe+2 5.445e-11 7.859e-12 -10.264 -11.105 -0.841 -18.17 + FeCl+ 1.263e-11 3.071e-11 -10.899 -10.513 0.386 (0) + FeOH+ 1.104e-21 6.308e-22 -20.957 -21.200 -0.243 (0) + Fe(OH)2 4.500e-34 1.363e-33 -33.347 -32.866 0.481 (0) + Fe(OH)3- 0.000e+00 0.000e+00 -43.648 -43.891 -0.243 (0) Fe(3) 9.964e-02 FeCl2+ 6.692e-02 3.824e-02 -1.174 -1.418 -0.243 (0) FeCl+2 2.837e-02 3.024e-03 -1.547 -2.519 -0.972 (0) @@ -407,12 +405,11 @@ Fe(3) 9.964e-02 Fe(OH)4- 6.245e-29 3.688e-29 -28.204 -28.433 -0.229 (0) Fe3(OH)4+5 2.066e-32 9.205e-23 -31.685 -22.036 9.649 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.718 -41.237 0.481 28.61 + H2 0.000e+00 0.000e+00 -41.941 -41.460 0.481 28.61 Na 9.967e-04 Na+ 9.967e-04 1.286e-03 -3.001 -2.891 0.111 0.98 - NaOH 1.091e-28 3.304e-28 -27.962 -27.481 0.481 (0) -O(0) 5.755e-11 - O2 2.877e-11 8.714e-11 -10.541 -10.060 0.481 30.40 +O(0) 1.604e-10 + O2 8.020e-11 2.429e-10 -10.096 -9.615 0.481 30.40 ------------------------------Saturation indices------------------------------- @@ -420,11 +417,11 @@ O(0) 5.755e-11 Fe(OH)3(a) -11.13 -6.24 4.89 Fe(OH)3 Goethite -5.16 -6.16 -1.00 FeOOH - H2(g) -38.14 -41.24 -3.10 H2 + H2(g) -38.36 -41.46 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O Halite -4.01 -2.44 1.57 NaCl Hematite -8.24 -12.24 -4.01 Fe2O3 - O2(g) -7.17 -10.06 -2.89 O2 + O2(g) -6.72 -9.61 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -498,7 +495,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -597,7 +593,6 @@ H(0) 3.515e-28 H2 1.757e-28 1.758e-28 -27.755 -27.755 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 2.697e-37 O2 1.349e-37 1.349e-37 -36.870 -36.870 0.000 30.40 @@ -732,12 +727,12 @@ Goethite -5.16 -6.16 -1.00 1.000e-01 0 -1.000e-01 Diffuse Double Layer Surface-Complexation Model Hfo - 7.580e-25 Surface + diffuse layer charge, eq - 7.580e-25 Surface charge, eq + 4.308e-25 Surface + diffuse layer charge, eq + 4.308e-25 Surface charge, eq undefined sigma, C/m² - -2.941e-02 psi, V - 1.145e+00 -F*psi/RT - 3.142e+00 exp(-F*psi/RT) + 4.647e-02 psi, V + -1.809e+00 -F*psi/RT + 1.638e-01 exp(-F*psi/RT) 2.000e+03 specific area, m²/mol Goethite 0.000e+00 m² for 0.000e+00 moles of Goethite @@ -748,11 +743,11 @@ Hfo_w Mole Log Species Moles Fraction Molality Molality - Hfo_wOH2+ 7.580e-25 0.000 7.552e-25 -24.122 - Hfo_wOH 3.750e-33 0.000 3.737e-33 -32.427 - Hfo_wO- 4.251e-43 0.000 4.236e-43 -42.373 - Hfo_wOFe+ 7.001e-49 0.000 6.976e-49 -48.156 - Hfo_wOFeOH 1.522e-58 0.000 1.517e-58 -57.819 + Hfo_wOH2+ 4.308e-25 0.000 4.292e-25 -24.367 + Hfo_wOH 4.087e-32 0.000 4.073e-32 -31.390 + Hfo_wO- 8.884e-41 0.000 8.852e-41 -40.053 + Hfo_wOFe+ 3.979e-49 0.000 3.965e-49 -48.402 + Hfo_wOFeOH 1.659e-57 0.000 1.653e-57 -56.782 -----------------------------Solution composition------------------------------ @@ -777,7 +772,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.417e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 1 (22 overall) + Iterations = 1 (26 overall) Total H = 1.161134e+02 Total O = 5.570722e+01 @@ -817,7 +812,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.187 -44.706 0.481 28.61 Na 9.967e-04 Na+ 9.967e-04 1.286e-03 -3.001 -2.891 0.111 0.98 - NaOH 1.091e-28 3.304e-28 -27.962 -27.481 0.481 (0) O(0) 4.982e-04 O2 2.491e-04 7.544e-04 -3.604 -3.122 0.481 30.40 @@ -916,7 +910,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1015,7 +1008,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.048 -40.048 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 1.039e-12 O2 5.194e-13 5.195e-13 -12.285 -12.284 0.000 30.40 @@ -1154,12 +1146,12 @@ Hematite -7.39 -11.39 -4.01 1.000e-01 0 -1.000e-01 Diffuse Double Layer Surface-Complexation Model Hfo - 2.789e-21 Surface + diffuse layer charge, eq - 2.789e-21 Surface charge, eq + 1.070e-25 Surface + diffuse layer charge, eq + 1.070e-25 Surface charge, eq undefined sigma, C/m² - -6.560e-02 psi, V - 2.553e+00 -F*psi/RT - 1.285e+01 exp(-F*psi/RT) + 1.269e-02 psi, V + -4.941e-01 -F*psi/RT + 6.101e-01 exp(-F*psi/RT) 2.000e+03 specific area, m²/mol Hematite 0.000e+00 m² for 0.000e+00 moles of Hematite @@ -1170,11 +1162,11 @@ Hfo_w Mole Log Species Moles Fraction Molality Molality - Hfo_wOH2+ 2.789e-21 0.000 2.774e-21 -20.557 - Hfo_wOH 3.610e-30 0.000 3.590e-30 -29.445 - Hfo_wO- 1.070e-40 0.000 1.065e-40 -39.973 - Hfo_wOFe+ 3.097e-43 0.000 3.080e-43 -42.511 - Hfo_wOFeOH 1.776e-53 0.000 1.766e-53 -52.753 + Hfo_wOH2+ 1.070e-25 0.000 1.064e-25 -24.973 + Hfo_wOH 2.917e-33 0.000 2.901e-33 -32.537 + Hfo_wO- 1.822e-42 0.000 1.812e-42 -41.742 + Hfo_wOFe+ 9.859e-48 0.000 9.806e-48 -47.009 + Hfo_wOFeOH 1.191e-56 0.000 1.184e-56 -55.927 -----------------------------Solution composition------------------------------ @@ -1187,7 +1179,7 @@ Hfo_w ----------------------------Description of solution---------------------------- pH = -0.489 Charge balance - pe = 19.607 Adjusted to redox equilibrium + pe = 19.688 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 912464 Density (g/cm³) = 1.08906 Volume (L) = 1.10034 @@ -1197,7 +1189,7 @@ Hfo_w Mass of water (kg) = 1.005e+00 Total alkalinity (eq/kg) = -4.774e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.414e-09 + Electrical balance (eq) = -1.412e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (15 overall) Total H = 1.160124e+02 @@ -1217,13 +1209,13 @@ Cl 4.974e+00 FeCl+2 5.805e-02 6.236e-03 -1.236 -2.205 -0.969 (0) HCl 2.987e-02 2.885e+00 -1.525 0.460 1.985 (0) FeCl3 7.024e-03 2.056e-02 -2.153 -1.687 0.466 (0) - FeCl+ 3.181e-11 7.371e-11 -10.497 -10.132 0.365 (0) -Fe(2) 1.672e-10 - Fe+2 1.354e-10 1.966e-11 -9.868 -10.707 -0.838 -18.26 - FeCl+ 3.181e-11 7.371e-11 -10.497 -10.132 0.365 (0) - FeOH+ 2.972e-21 1.702e-21 -20.527 -20.769 -0.242 (0) - Fe(OH)2 1.355e-33 3.965e-33 -32.868 -32.402 0.466 (0) - Fe(OH)3- 0.000e+00 0.000e+00 -43.152 -43.394 -0.242 (0) + FeCl+ 2.640e-11 6.117e-11 -10.578 -10.213 0.365 (0) +Fe(2) 1.388e-10 + Fe+2 1.124e-10 1.631e-11 -9.949 -10.787 -0.838 -18.26 + FeCl+ 2.640e-11 6.117e-11 -10.578 -10.213 0.365 (0) + FeOH+ 2.467e-21 1.412e-21 -20.608 -20.850 -0.242 (0) + Fe(OH)2 1.124e-33 3.290e-33 -32.949 -32.483 0.466 (0) + Fe(OH)3- 0.000e+00 0.000e+00 -43.233 -43.475 -0.242 (0) Fe(3) 1.989e-01 FeCl2+ 1.322e-01 7.567e-02 -0.879 -1.121 -0.242 (0) FeCl+2 5.805e-02 6.236e-03 -1.236 -2.205 -0.969 (0) @@ -1236,12 +1228,11 @@ Fe(3) 1.989e-01 Fe(OH)4- 1.812e-28 1.072e-28 -27.742 -27.970 -0.228 (0) Fe3(OH)4+5 9.267e-31 1.236e-21 -30.033 -20.908 9.125 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.853 -41.387 0.466 28.61 + H2 0.000e+00 0.000e+00 -42.015 -41.549 0.466 28.61 Na 9.949e-04 Na+ 9.949e-04 1.251e-03 -3.002 -2.903 0.100 0.94 - NaOH 1.185e-28 3.467e-28 -27.926 -27.460 0.466 (0) -O(0) 1.204e-10 - O2 6.022e-11 1.763e-10 -10.220 -9.754 0.466 30.40 +O(0) 2.539e-10 + O2 1.270e-10 3.716e-10 -9.896 -9.430 0.466 30.40 ------------------------------Saturation indices------------------------------- @@ -1249,11 +1240,11 @@ O(0) 1.204e-10 Fe(OH)3(a) -10.70 -5.81 4.89 Fe(OH)3 Goethite -4.73 -5.73 -1.00 FeOOH - H2(g) -38.29 -41.39 -3.10 H2 + H2(g) -38.45 -41.55 -3.10 H2 H2O(g) -1.58 -0.07 1.50 H2O Halite -4.04 -2.47 1.57 NaCl Hematite -7.39 -11.39 -4.01 Fe2O3 - O2(g) -6.86 -9.75 -2.89 O2 + O2(g) -6.54 -9.43 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1354,7 +1345,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1453,7 +1443,6 @@ H(0) 3.515e-28 H2 1.757e-28 1.758e-28 -27.755 -27.755 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 2.697e-37 O2 1.349e-37 1.349e-37 -36.870 -36.870 0.000 30.40 @@ -1512,7 +1501,7 @@ Hfo Element Moles Cl 4.0005e-09 - Fe 3.0260e-12 + Fe 3.0261e-12 H 1.0345e-07 Na 9.9990e-04 O 4.6785e-13 @@ -1587,12 +1576,12 @@ Goethite -5.16 -6.16 -1.00 1.000e-01 0 -1.000e-01 Diffuse Double Layer Surface-Complexation Model Hfo - -5.464e-26 Surface + diffuse layer charge, eq - -5.464e-26 Surface charge, eq + -3.671e-26 Surface + diffuse layer charge, eq + -3.671e-26 Surface charge, eq undefined sigma, C/m² - -1.722e-01 psi, V - 6.702e+00 -F*psi/RT - 8.143e+02 exp(-F*psi/RT) + 4.876e-02 psi, V + -1.898e+00 -F*psi/RT + 1.499e-01 exp(-F*psi/RT) 2.000e+03 specific area, m²/mol Goethite 0.000e+00 m² for 0.000e+00 moles of Goethite @@ -1603,10 +1592,10 @@ Hfo_s Mole Log Species Moles Fraction Molality Molality - Hfo_sO- 5.464e-26 0.000 5.445e-26 -25.264 - Hfo_sOH2+ 7.689e-112 0.000 7.661e-112 -111.116 - Hfo_sOH 1.468e-122 0.000 1.463e-122 -121.835 - Hfo_sOFe+ 4.397e-132 0.000 4.381e-132 -131.358 + Hfo_sO- 3.671e-26 0.000 3.658e-26 -25.437 + Hfo_sOH2+ 1.750e-119 0.000 1.743e-119 -118.759 + Hfo_sOH 1.815e-126 0.000 1.809e-126 -125.743 + Hfo_sOFe+ 9.995e-140 0.000 9.959e-140 -139.002 -----------------------------Solution composition------------------------------ @@ -1631,7 +1620,7 @@ Hfo_s Temperature (°C) = 25.00 Electrical balance (eq) = 1.000e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.01 - Iterations = 1 (23 overall) + Iterations = 1 (20 overall) Total H = 1.161124e+02 Total O = 5.570622e+01 @@ -1649,13 +1638,13 @@ Cl 4.983e+00 HCl 2.879e-02 3.217e+00 -1.541 0.507 2.048 (0) FeCl+2 2.837e-02 3.024e-03 -1.547 -2.519 -0.972 (0) FeCl3 3.574e-03 1.082e-02 -2.447 -1.966 0.481 (0) - FeCl+ 1.738e-11 4.227e-11 -10.760 -10.374 0.386 (0) -Fe(2) 9.232e-11 - Fe+2 7.494e-11 1.082e-11 -10.125 -10.966 -0.841 -18.17 - FeCl+ 1.738e-11 4.227e-11 -10.760 -10.374 0.386 (0) - FeOH+ 1.519e-21 8.682e-22 -20.818 -21.061 -0.243 (0) - Fe(OH)2 6.193e-34 1.876e-33 -33.208 -32.727 0.481 (0) - Fe(OH)3- 0.000e+00 0.000e+00 -43.509 -43.752 -0.243 (0) + FeCl+ 1.736e-11 4.222e-11 -10.761 -10.374 0.386 (0) +Fe(2) 9.222e-11 + Fe+2 7.486e-11 1.080e-11 -10.126 -10.966 -0.841 -18.17 + FeCl+ 1.736e-11 4.222e-11 -10.761 -10.374 0.386 (0) + FeOH+ 1.518e-21 8.672e-22 -20.819 -21.062 -0.243 (0) + Fe(OH)2 6.186e-34 1.874e-33 -33.209 -32.727 0.481 (0) + Fe(OH)3- 0.000e+00 0.000e+00 -43.510 -43.753 -0.243 (0) Fe(3) 9.964e-02 FeCl2+ 6.692e-02 3.824e-02 -1.174 -1.418 -0.243 (0) FeCl+2 2.837e-02 3.024e-03 -1.547 -2.519 -0.972 (0) @@ -1668,12 +1657,11 @@ Fe(3) 9.964e-02 Fe(OH)4- 6.244e-29 3.688e-29 -28.205 -28.433 -0.229 (0) Fe3(OH)4+5 2.057e-32 9.204e-23 -31.687 -22.036 9.651 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -41.664 -41.182 0.481 28.61 + H2 0.000e+00 0.000e+00 -41.665 -41.183 0.481 28.61 Na 1.993e-03 Na+ 1.993e-03 2.571e-03 -2.701 -2.590 0.111 0.98 - NaOH 2.181e-28 6.605e-28 -27.661 -27.180 0.481 (0) -O(0) 4.469e-11 - O2 2.235e-11 6.768e-11 -10.651 -10.170 0.481 30.40 +O(0) 4.489e-11 + O2 2.244e-11 6.798e-11 -10.649 -10.168 0.481 30.40 ------------------------------Saturation indices------------------------------- @@ -1763,7 +1751,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -1857,8 +1844,8 @@ Cl 1.000e-09 FeCl2+ 1.301e-38 1.256e-38 -37.886 -37.901 -0.015 (0) FeCl3 0.000e+00 0.000e+00 -47.917 -47.917 0.000 (0) Fe(2) 1.437e-15 - Fe+2 1.432e-15 1.245e-15 -14.844 -14.905 -0.061 -22.14 - FeOH+ 4.080e-18 3.938e-18 -17.389 -17.405 -0.015 (0) + Fe+2 1.432e-15 1.246e-15 -14.844 -14.905 -0.061 -22.14 + FeOH+ 4.080e-18 3.939e-18 -17.389 -17.405 -0.015 (0) Fe(OH)2 3.351e-22 3.352e-22 -21.475 -21.475 0.000 (0) FeCl+ 1.719e-24 1.659e-24 -23.765 -23.780 -0.015 (0) Fe(OH)3- 1.290e-25 1.245e-25 -24.889 -24.905 -0.015 (0) @@ -1877,8 +1864,7 @@ H(0) 2.002e-29 H2 1.001e-29 1.001e-29 -28.999 -28.999 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) -O(0) 8.311e-35 +O(0) 8.310e-35 O2 4.155e-35 4.156e-35 -34.381 -34.381 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -2067,25 +2053,25 @@ WARNING: Numerical method failed with this set of convergence parameters. WARNING: The program has failed to converge to a numerical solution. The following equations were not satisfied: -ERROR: Br has not converged. Total: 5.001013e+00 Calculated: 5.001135e+00 Residual: -1.219126e-04 +ERROR: Br has not converged. Total: 5.001013e+00 Calculated: 5.001010e+00 Residual: 3.147220e-06 -ERROR: Fe has not converged. Total: 1.573723e-04 Calculated: 8.954836e-06 Residual: 1.484175e-04 +ERROR: Fe has not converged. Total: 3.158359e-05 Calculated: 1.639038e-06 Residual: 2.994455e-05 -ERROR: Na has not converged. Total: 1.000316e-03 Calculated: 1.000298e-03 Residual: 1.797219e-08 +ERROR: Na has not converged. Total: 1.000316e-03 Calculated: 1.000328e-03 Residual: -1.197076e-08 -ERROR: Mu Ionic strength has not converged. Residual: -3.572132e-05 +ERROR: Mu Ionic strength has not converged. Residual: -1.109313e-04 -ERROR: A(H2O) Activity of water has not converged. Residual: 1.357025e-07 +ERROR: A(H2O) Activity of water has not converged. Residual: 3.623803e-06 -ERROR: pH Charge balance has not converged. Residual: -2.377520e-05 +ERROR: pH Charge balance has not converged. Residual: -9.082260e-05 -ERROR: Hydrogen Mass of hydrogen has not converged. Residual: -3.792500e-04 +ERROR: Hydrogen Mass of hydrogen has not converged. Residual: -3.030696e-04 -ERROR: Oxygen Mass of oxygen has not converged. Residual: 1.361816e-04 +ERROR: Oxygen Mass of oxygen has not converged. Residual: -1.214395e-04 -ERROR: Hfo_w Surface mass balance has not converged. Residual: -4.100486e-06 +ERROR: Hfo_w Surface mass balance has not converged. Residual: -1.488903e-04 -ERROR: Hfo_CB Surface charge/potential has not converged. Residual: 2.091233e-04 +ERROR: Hfo_CB Surface charge/potential has not converged. Residual: -2.741787e-04 Using solution 1. Solution after simulation 16. Using surface 1. @@ -2108,69 +2094,69 @@ Reaction 1. ----------------------------------User print----------------------------------- - 4.6190e-40 1.1611e+02 5.1001e+00 + 9.8654e-40 1.1611e+02 5.1005e+00 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Goethite -7.20 -8.20 -1.00 1.000e-01 9.984e-02 -1.574e-04 +Goethite -7.94 -8.94 -1.00 1.000e-01 9.997e-02 -3.158e-05 ------------------------------Surface composition------------------------------ Diffuse Double Layer Surface-Complexation Model Hfo - -2.091e-04 Surface + diffuse layer charge, eq - 1.003e-03 Surface charge, eq - 4.844e-01 sigma, C/m² - 7.932e-02 psi, V - -3.087e+00 -F*psi/RT - 4.563e-02 exp(-F*psi/RT) + 2.742e-04 Surface + diffuse layer charge, eq + 1.149e-03 Surface charge, eq + 5.543e-01 sigma, C/m² + 6.445e-02 psi, V + -2.509e+00 -F*psi/RT + 8.137e-02 exp(-F*psi/RT) 2.000e+03 specific area, m²/mol Goethite - 1.997e+02 m² for 9.984e-02 moles of Goethite + 1.999e+02 m² for 9.997e-02 moles of Goethite - Water in diffuse layer: 1.997e-03 kg, 100.0% of total DDL-water. + Water in diffuse layer: 1.999e-03 kg, 100.0% of total DDL-water. viscosity: 1.02010 mPa s for DDL water. Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = 1.561e-03 V. - Boltzmann factor, exp(-psi_DL * F / RT) = 9.411e-01 (= c_DL / c_free if z is +1). + Donnan Layer potential, psi_DL = 1.126e-03 V. + Boltzmann factor, exp(-psi_DL * F / RT) = 9.571e-01 (= c_DL / c_free if z is +1). Element Moles - Br 1.0590e-02 - Cl 9.7804e-43 - Fe 1.4878e-08 - H 9.3760e-03 - Na 1.8762e-06 - O 6.7134e-11 + Br 1.0425e-02 + Cl 2.0565e-42 + Fe 2.8685e-09 + H 9.5486e-03 + Na 1.9106e-06 + O 3.2617e-11 Hfo_w - 9.984e-04 moles [0.01 mol/(mol Goethite)] + 9.997e-04 moles [0.01 mol/(mol Goethite)] Mole Log Species Moles Fraction Molality Molality - Hfo_wOH2+ 1.003e-03 1.004 1.003e-03 -2.999 - Hfo_wOH 3.189e-10 0.000 3.189e-10 -9.496 - Hfo_wO- 2.324e-18 0.000 2.324e-18 -17.634 - Hfo_wOFe+ 9.667e-29 0.000 9.667e-29 -28.015 - Hfo_wOFeOH 1.340e-36 0.000 1.340e-36 -35.873 + Hfo_wOH2+ 1.149e-03 1.149 1.149e-03 -2.940 + Hfo_wOH 2.049e-10 0.000 2.049e-10 -9.689 + Hfo_wO- 8.370e-19 0.000 8.370e-19 -18.077 + Hfo_wOFe+ 2.367e-29 0.000 2.367e-29 -28.626 + Hfo_wOFeOH 1.839e-37 0.000 1.839e-37 -36.735 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 4.991e+00 4.991e+00 - Cl 4.609e-40 4.609e-40 - Fe 8.940e-06 8.940e-06 + Cl 9.845e-40 9.845e-40 + Fe 1.636e-06 1.636e-06 Na 9.984e-04 9.984e-04 ----------------------------Description of solution---------------------------- pH = -0.548 Charge balance - pe = 20.272 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1170143 + pe = 20.205 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 1170156 Density (g/cm³) = 1.23869 Volume (L) = 1.13331 Viscosity (mPa s) = 1.02010 @@ -2179,11 +2165,11 @@ Hfo_w Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.990e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.377e-05 + Electrical balance (eq) = 9.082e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 201 (2414 overall) - Total H = 1.160023e+02 - Total O = 5.550639e+01 + Total H = 1.160022e+02 + Total O = 5.550625e+01 ----------------------------Distribution of species---------------------------- @@ -2195,49 +2181,48 @@ Hfo_w H2O 5.551e+01 8.303e-01 1.744 -0.081 0.000 18.07 Br 4.991e+00 Br- 4.991e+00 2.199e+00 0.698 0.342 -0.356 26.12 -Cl 4.609e-40 - Cl- 4.609e-40 2.738e-40 -39.336 -39.563 -0.226 19.94 - HCl 0.000e+00 3.333e-40 -41.601 -39.477 2.124 (0) - FeCl+2 0.000e+00 0.000e+00 -43.504 -44.480 -0.976 (0) - FeCl+ 0.000e+00 0.000e+00 -53.483 -53.072 0.411 (0) - FeCl2+ 0.000e+00 0.000e+00 -83.148 -83.392 -0.244 (0) - FeCl3 0.000e+00 0.000e+00 -124.454 -123.955 0.499 (0) -Fe(2) 1.564e-13 - Fe+2 1.564e-13 2.242e-14 -12.806 -13.649 -0.844 -18.07 - FeOH+ 2.922e-24 1.666e-24 -23.534 -23.778 -0.244 (0) - Fe(OH)2 1.056e-36 3.332e-36 -35.976 -35.477 0.499 (0) - Fe(OH)3- 0.000e+00 0.000e+00 -46.292 -46.536 -0.244 (0) - FeCl+ 0.000e+00 0.000e+00 -53.483 -53.072 0.411 (0) -Fe(3) 8.940e-06 - Fe+3 8.934e-06 4.005e-07 -5.049 -6.397 -1.348 (0) - FeOH+2 5.750e-09 6.076e-10 -8.240 -9.216 -0.976 (0) - Fe(OH)2+ 8.021e-14 4.727e-14 -13.096 -13.325 -0.230 (0) - Fe(OH)3 4.535e-22 1.431e-21 -21.343 -20.844 0.499 (0) - Fe2(OH)2+4 2.611e-24 9.936e-18 -23.583 -17.003 6.580 (0) - Fe(OH)4- 5.203e-31 3.067e-31 -30.284 -30.513 -0.230 (0) - Fe3(OH)4+5 5.129e-39 9.814e-29 -38.290 -28.008 10.282 (0) - FeCl+2 0.000e+00 0.000e+00 -43.504 -44.480 -0.976 (0) - FeCl2+ 0.000e+00 0.000e+00 -83.148 -83.392 -0.244 (0) - FeCl3 0.000e+00 0.000e+00 -124.454 -123.955 0.499 (0) +Cl 9.845e-40 + Cl- 9.845e-40 5.849e-40 -39.007 -39.233 -0.226 19.94 + HCl 0.000e+00 7.120e-40 -41.271 -39.148 2.124 (0) + FeCl+2 0.000e+00 0.000e+00 -43.912 -44.888 -0.976 (0) + FeCl+ 0.000e+00 0.000e+00 -53.824 -53.412 0.411 (0) + FeCl2+ 0.000e+00 0.000e+00 -83.227 -83.471 -0.244 (0) + FeCl3 0.000e+00 0.000e+00 -124.203 -123.704 0.499 (0) +Fe(2) 3.342e-14 + Fe+2 3.342e-14 4.791e-15 -13.476 -14.320 -0.844 -18.07 + FeOH+ 6.244e-25 3.560e-25 -24.205 -24.449 -0.244 (0) + Fe(OH)2 2.256e-37 7.119e-37 -36.647 -36.148 0.499 (0) + Fe(OH)3- 0.000e+00 0.000e+00 -46.963 -47.207 -0.244 (0) + FeCl+ 0.000e+00 0.000e+00 -53.824 -53.412 0.411 (0) +Fe(3) 1.636e-06 + Fe+3 1.635e-06 7.330e-08 -5.786 -7.135 -1.348 (0) + FeOH+2 1.052e-09 1.112e-10 -8.978 -9.954 -0.976 (0) + Fe(OH)2+ 1.468e-14 8.652e-15 -13.833 -14.063 -0.230 (0) + Fe(OH)3 8.299e-23 2.619e-22 -22.081 -21.582 0.499 (0) + Fe2(OH)2+4 8.747e-26 3.328e-19 -25.058 -18.478 6.580 (0) + Fe(OH)4- 9.521e-32 5.612e-32 -31.021 -31.251 -0.230 (0) + Fe3(OH)4+5 0.000e+00 6.016e-31 -40.503 -30.221 10.282 (0) + FeCl+2 0.000e+00 0.000e+00 -43.912 -44.888 -0.976 (0) + FeCl2+ 0.000e+00 0.000e+00 -83.227 -83.471 -0.244 (0) + FeCl3 0.000e+00 0.000e+00 -124.203 -123.704 0.499 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -43.096 -42.597 0.499 28.61 + H2 0.000e+00 0.000e+00 -42.962 -42.463 0.499 28.61 Na 9.984e-04 Na+ 9.984e-04 1.328e-03 -3.001 -2.877 0.124 1.02 - NaOH 1.001e-28 3.159e-28 -28.000 -27.500 0.499 (0) -O(0) 2.853e-08 - O2 1.426e-08 4.501e-08 -7.846 -7.347 0.499 30.40 +O(0) 1.535e-08 + O2 7.675e-09 2.422e-08 -8.115 -7.616 0.499 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Fe(OH)3(a) -13.18 -8.28 4.89 Fe(OH)3 - Goethite -7.20 -8.20 -1.00 FeOOH - H2(g) -39.50 -42.60 -3.10 H2 + Fe(OH)3(a) -13.91 -9.02 4.89 Fe(OH)3 + Goethite -7.94 -8.94 -1.00 FeOOH + H2(g) -39.36 -42.46 -3.10 H2 H2O(g) -1.58 -0.08 1.50 H2O - Halite -44.01 -42.44 1.57 NaCl - Hematite -12.32 -16.33 -4.01 Fe2O3 - O2(g) -4.45 -7.35 -2.89 O2 + Halite -43.68 -42.11 1.57 NaCl + Hematite -13.79 -17.80 -4.01 Fe2O3 + O2(g) -4.72 -7.62 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/surf_related_warnings_101.sel b/mytest/surf_related_warnings_101.sel index cbe0cc38e..40521bc27 100644 --- a/mytest/surf_related_warnings_101.sel +++ b/mytest/surf_related_warnings_101.sel @@ -1,20 +1,20 @@ Mu SC - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088039 - 0.001000104163 122.9171088039 - 4.812045300517 936454.2868966493 - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088039 - 0.001000104163 122.9171088039 - 4.812001557388 936438.1033070498 - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088056 - 0.001000104163 122.9171088056 - 4.663852652675 912464.3332685733 - 0.001000104163 122.9171088057 - 0.001000104163 122.9171088039 - 0.001000104163 122.9171088039 - 4.812545790006 936291.2341940207 - 0.001000104680 125.0412657403 - 0.001000104680 125.0412657386 - 0.001000104680 125.0412657386 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087757 + 0.001000104163 122.9171087757 + 4.812045300474 936454.2868959778 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087757 + 0.001000104163 122.9171087757 + 4.812001557388 936438.1033070500 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087774 + 0.001000104163 122.9171087774 + 4.663852652614 912464.3332680428 + 0.001000104163 122.9171087775 + 0.001000104163 122.9171087757 + 0.001000104163 122.9171087757 + 4.812545790006 936291.2341940234 + 0.001000104680 125.0412657315 + 0.001000104680 125.0412657298 + 0.001000104680 125.0412657298 diff --git a/mytest/surf_total.out b/mytest/surf_total.out index 61a6776c8..151984167 100644 --- a/mytest/surf_total.out +++ b/mytest/surf_total.out @@ -90,7 +90,7 @@ Initial solution 0. Specific Conductance (µS/cm, 100°C) = 36876 Density (g/cm³) = 0.96656 Volume (L) = 1.04515 - Viscosity (mPa s) = 0.29235 + Viscosity (mPa s) = 0.29236 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.820e-01 Mass of water (kg) = 1.000e+00 @@ -151,7 +151,6 @@ Na 5.051e-02 Na+ 4.877e-02 3.488e-02 -1.312 -1.457 -0.146 0.84 NaSO4- 1.658e-03 1.196e-03 -2.780 -2.922 -0.142 1.67 NaHCO3 8.273e-05 8.996e-05 -4.082 -4.046 0.036 30.34 - NaOH 6.085e-16 6.345e-16 -15.216 -15.198 0.018 (0) O(0) 1.140e-16 O2 5.699e-17 5.943e-17 -16.244 -16.226 0.018 33.90 S(-2) 0.000e+00 @@ -237,10 +236,10 @@ Initial solution 1. pH = 8.500 pe = 4.000 - Specific Conductance (µS/cm, 100°C) = 231983 + Specific Conductance (µS/cm, 100°C) = 231978 Density (g/cm³) = 1.00197 Volume (L) = 1.06518 - Viscosity (mPa s) = 0.32506 + Viscosity (mPa s) = 0.32507 Activity of water = 0.962 Ionic strength (mol/kgw) = 1.179e+00 Mass of water (kg) = 1.000e+00 @@ -295,7 +294,6 @@ Mg 8.536e-03 Na 1.067e+00 Na+ 1.064e+00 7.323e-01 0.027 -0.135 -0.162 1.30 NaHCO3 3.229e-03 5.558e-03 -2.491 -2.255 0.236 30.34 - NaOH 9.805e-15 1.286e-14 -14.009 -13.891 0.118 (0) O(0) 8.450e-17 O2 4.225e-17 5.543e-17 -16.374 -16.256 0.118 33.90 @@ -524,11 +522,11 @@ X 6.000e-04 mol ----------------------------Description of solution---------------------------- pH = 6.027 Charge balance - pe = -0.903 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 231760 + pe = -0.833 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 100°C) = 231741 Density (g/cm³) = 1.00151 Volume (L) = 1.06516 - Viscosity (mPa s) = 0.32476 + Viscosity (mPa s) = 0.32479 Activity of water = 0.962 Ionic strength (mol/kgw) = 1.175e+00 Mass of water (kg) = 1.000e+00 @@ -549,8 +547,8 @@ X 6.000e-04 mol H+ 1.328e-06 9.403e-07 -5.877 -6.027 -0.150 0.00 OH- 1.134e-06 5.908e-07 -5.946 -6.229 -0.283 -2.50 H2O 5.551e+01 9.617e-01 1.744 -0.017 0.000 18.80 -C(-4) 4.706e-29 - CH4 4.706e-29 6.168e-29 -28.327 -28.210 0.118 41.06 +C(-4) 1.289e-29 + CH4 1.289e-29 1.689e-29 -28.890 -28.772 0.118 41.06 C(4) 4.454e-03 CO2 1.472e-03 1.760e-03 -2.832 -2.754 0.078 38.89 NaHCO3 1.375e-03 2.363e-03 -2.862 -2.627 0.235 30.34 @@ -570,8 +568,8 @@ Ca 2.581e-02 Cl 1.142e+00 Cl- 1.142e+00 6.316e-01 0.058 -0.200 -0.257 18.07 HCl 4.062e-08 1.285e-07 -7.391 -6.891 0.500 (0) -H(0) 3.372e-14 - H2 1.686e-14 2.210e-14 -13.773 -13.656 0.118 28.57 +H(0) 2.439e-14 + H2 1.220e-14 1.599e-14 -13.914 -13.796 0.118 28.57 K 5.335e-03 K+ 5.333e-03 2.895e-03 -2.273 -2.538 -0.265 11.16 KHCO3 2.248e-06 2.306e-06 -5.648 -5.637 0.011 42.26 @@ -583,9 +581,8 @@ Mg 8.532e-03 Na 1.067e+00 Na+ 1.066e+00 7.333e-01 0.028 -0.135 -0.162 1.30 NaHCO3 1.375e-03 2.363e-03 -2.862 -2.627 0.235 30.34 - NaOH 3.305e-17 4.332e-17 -16.481 -16.363 0.118 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.881 -45.763 0.118 33.90 + O2 0.000e+00 0.000e+00 -45.599 -45.482 0.118 33.90 ------------------------------Saturation indices------------------------------- @@ -593,13 +590,13 @@ O(0) 0.000e+00 Aragonite -0.45 -9.61 -9.17 CaCO3 Calcite 0.00 -9.61 -9.61 CaCO3 - CH4(g) -25.21 -28.21 -3.00 CH4 + CH4(g) -25.77 -28.77 -3.00 CH4 CO2(g) -0.78 -2.75 -1.98 CO2 Dolomite -0.13 -19.61 -19.48 CaMg(CO3)2 - H2(g) -10.55 -13.66 -3.10 H2 + H2(g) -10.70 -13.80 -3.10 H2 H2O(g) -0.02 -0.02 0.00 H2O Halite -1.95 -0.33 1.62 NaCl - O2(g) -42.65 -45.76 -3.11 O2 + O2(g) -42.37 -45.48 -3.11 O2 Sylvite -3.94 -2.74 1.20 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. diff --git a/mytest/surf_total_101.sel b/mytest/surf_total_101.sel index de8e6624f..d0de43110 100644 --- a/mytest/surf_total_101.sel +++ b/mytest/surf_total_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.181980658675 36876.6725439218 - 1.179249293263 231983.4025978026 - 1.179249293272 231983.4025976863 - 1.179249293272 231983.4025976863 - 1.175053863748 231760.7244169161 + 0.181980658675 36876.0861430298 + 1.179249293263 231978.0600050748 + 1.179249293272 231978.0600049583 + 1.179249293272 231978.0600049583 + 1.175053863748 231741.6124863747 diff --git a/mytest/surface_mix_101.sel b/mytest/surface_mix_101.sel index a1f5fbaa3..7cf8a1e76 100644 --- a/mytest/surface_mix_101.sel +++ b/mytest/surface_mix_101.sel @@ -1,6 +1,6 @@ Mu SC - 0.005568312749 479.6710508934 - 0.005568312749 479.6710508933 - 0.005568312749 479.6710508933 - 0.005568312749 479.6710508933 - 0.005568312749 479.6710508933 + 0.005568312749 479.6710506176 + 0.005568312749 479.6710506176 + 0.005568312749 479.6710506175 + 0.005568312749 479.6710506176 + 0.005568312749 479.6710506176 diff --git a/mytest/sys_equi.out b/mytest/sys_equi.out index d559fe123..fa632fd3d 100644 --- a/mytest/sys_equi.out +++ b/mytest/sys_equi.out @@ -147,7 +147,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 9.999e+00 -8.652e-04 Specific Conductance (µS/cm, 25°C) = 363 Density (g/cm³) = 0.99730 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89262 + Viscosity (mPa s) = 0.89317 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.896e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/sys_equi_101.sel b/mytest/sys_equi_101.sel index 6b9c7851f..22f6c1614 100644 --- a/mytest/sys_equi_101.sel +++ b/mytest/sys_equi_101.sel @@ -1,3 +1,3 @@ Mu SC 0.000000100661 0.0546997340 - 0.005895646756 363.2482265675 + 0.005895646756 363.1206051312 diff --git a/mytest/sys_equi_fix.out b/mytest/sys_equi_fix.out index 482b25b87..b840abc54 100644 --- a/mytest/sys_equi_fix.out +++ b/mytest/sys_equi_fix.out @@ -156,11 +156,11 @@ Fix_H+ -10.00 -10.00 0.00 ----------------------------Description of solution---------------------------- pH = 10.000 Charge balance - pe = 7.768 Adjusted to redox equilibrium + pe = 7.769 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 35155 Density (g/cm³) = 1.02039 Volume (L) = 1.01212 - Viscosity (mPa s) = 0.99689 + Viscosity (mPa s) = 0.99690 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.707e-01 Mass of water (kg) = 1.004e+00 @@ -182,7 +182,7 @@ Fix_H+ -10.00 -10.00 0.00 H+ 1.316e-10 1.000e-10 -9.881 -10.000 -0.119 0.00 H2O 5.551e+01 9.856e-01 1.744 -0.006 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.769 -122.712 0.057 35.46 + CH4 0.000e+00 0.000e+00 -122.773 -122.716 0.057 35.46 C(4) 1.804e-01 CO3-2 1.008e-01 2.212e-02 -0.997 -1.655 -0.659 -0.82 HCO3- 6.891e-02 4.717e-02 -1.162 -1.326 -0.165 25.82 @@ -199,14 +199,13 @@ Ca 5.505e-06 Cl 1.993e-01 Cl- 1.993e-01 1.278e-01 -0.701 -0.894 -0.193 18.73 HCl 2.516e-12 4.402e-12 -11.599 -11.356 0.243 (0) -H(0) 3.608e-39 - H2 1.804e-39 2.058e-39 -38.744 -38.687 0.057 28.61 +H(0) 3.599e-39 + H2 1.800e-39 2.052e-39 -38.745 -38.688 0.057 28.61 Na 4.806e-01 Na+ 4.699e-01 3.368e-01 -0.328 -0.473 -0.145 -0.58 NaHCO3 1.064e-02 1.384e-02 -1.973 -1.859 0.114 31.73 - NaOH 2.946e-15 3.360e-15 -14.531 -14.474 0.057 (0) -O(0) 1.677e-15 - O2 8.387e-16 9.564e-16 -15.076 -15.019 0.057 30.40 +O(0) 1.686e-15 + O2 8.430e-16 9.614e-16 -15.074 -15.017 0.057 30.40 ------------------------------Saturation indices------------------------------- @@ -214,13 +213,13 @@ O(0) 1.677e-15 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -119.91 -122.71 -2.80 CH4 + CH4(g) -119.91 -122.72 -2.80 CH4 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fix_H+ -10.00 -10.00 0.00 H+ H2(g) -35.59 -38.69 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.94 -1.37 1.57 NaCl - O2(g) -12.13 -15.02 -2.89 O2 + O2(g) -12.12 -15.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -261,7 +260,7 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta CO2(g) -3.50 -4.97 -1.47 9.719e+00 9.719e+00 1.076e-12 -Calcite 0.00 -8.48 -8.48 9.999e-02 9.999e-02 0.000e+00 +Calcite -0.00 -8.48 -8.48 9.999e-02 9.999e-02 0.000e+00 Fix_H+ -10.00 -10.00 0.00 NaOH is reactant 9.518e+00 9.518e+00 1.711e-12 @@ -277,11 +276,11 @@ Fix_H+ -10.00 -10.00 0.00 ----------------------------Description of solution---------------------------- pH = 10.000 Charge balance - pe = 6.882 Adjusted to redox equilibrium + pe = 6.922 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 35155 Density (g/cm³) = 1.02039 Volume (L) = 1.01212 - Viscosity (mPa s) = 0.99689 + Viscosity (mPa s) = 0.99690 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.707e-01 Mass of water (kg) = 1.004e+00 @@ -303,7 +302,7 @@ Fix_H+ -10.00 -10.00 0.00 H+ 1.316e-10 1.000e-10 -9.881 -10.000 -0.119 0.00 H2O 5.551e+01 9.856e-01 1.744 -0.006 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -115.676 -115.619 0.057 35.46 + CH4 0.000e+00 0.000e+00 -115.998 -115.941 0.057 35.46 C(4) 1.804e-01 CO3-2 1.008e-01 2.212e-02 -0.997 -1.655 -0.659 -0.82 HCO3- 6.891e-02 4.717e-02 -1.162 -1.326 -0.165 25.82 @@ -320,28 +319,27 @@ Ca 5.505e-06 Cl 1.993e-01 Cl- 1.993e-01 1.278e-01 -0.701 -0.894 -0.193 18.73 HCl 2.516e-12 4.402e-12 -11.599 -11.356 0.243 (0) -H(0) 2.140e-37 - H2 1.070e-37 1.220e-37 -36.971 -36.913 0.057 28.61 +H(0) 1.778e-37 + H2 8.890e-38 1.014e-37 -37.051 -36.994 0.057 28.61 Na 4.806e-01 Na+ 4.699e-01 3.368e-01 -0.328 -0.473 -0.145 -0.58 NaHCO3 1.064e-02 1.384e-02 -1.973 -1.859 0.114 31.73 - NaOH 2.946e-15 3.360e-15 -14.531 -14.474 0.057 (0) -O(0) 4.768e-19 - O2 2.384e-19 2.719e-19 -18.623 -18.566 0.057 30.40 +O(0) 6.909e-19 + O2 3.454e-19 3.940e-19 -18.462 -18.405 0.057 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.14 -8.48 -8.34 CaCO3 - Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -112.82 -115.62 -2.80 CH4 + Calcite -0.00 -8.48 -8.48 CaCO3 + CH4(g) -113.14 -115.94 -2.80 CH4 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fix_H+ -10.00 -10.00 0.00 H+ - H2(g) -33.81 -36.91 -3.10 H2 + H2(g) -33.89 -36.99 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.94 -1.37 1.57 NaCl - O2(g) -15.67 -18.57 -2.89 O2 + O2(g) -15.51 -18.40 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/sys_equi_fix_101.sel b/mytest/sys_equi_fix_101.sel index 02a73c6f9..3624efa81 100644 --- a/mytest/sys_equi_fix_101.sel +++ b/mytest/sys_equi_fix_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.300000039210 19352.9825123167 - 0.570718966011 35155.6324389805 - 0.570718966147 35155.6324386640 + 0.300000039210 19352.9823936194 + 0.570718966011 35155.3846830719 + 0.570718966147 35155.3846827554 diff --git a/mytest/sys_ex.out b/mytest/sys_ex.out index e7131381c..747e06d9c 100644 --- a/mytest/sys_ex.out +++ b/mytest/sys_ex.out @@ -152,7 +152,6 @@ Na 2.400e-01 Na+ 2.347e-01 1.699e-01 -0.629 -0.770 -0.140 -0.75 NaSO4- 5.268e-03 3.754e-03 -2.278 -2.426 -0.147 3.25 NaHCO3 3.448e-05 4.075e-05 -4.462 -4.390 0.073 31.73 - NaOH 6.235e-18 6.778e-18 -17.205 -17.169 0.036 (0) O(0) 2.357e-04 O2 1.178e-04 1.281e-04 -3.929 -3.892 0.036 30.40 S(6) 1.410e-02 @@ -343,7 +342,6 @@ Na 2.400e-01 Na+ 2.347e-01 1.699e-01 -0.629 -0.770 -0.140 -0.75 NaSO4- 5.268e-03 3.754e-03 -2.278 -2.426 -0.147 3.25 NaHCO3 3.448e-05 4.075e-05 -4.462 -4.390 0.073 31.73 - NaOH 6.235e-18 6.778e-18 -17.205 -17.169 0.036 (0) O(0) 2.357e-04 O2 1.178e-04 1.281e-04 -3.929 -3.892 0.036 30.40 S(-2) 0.000e+00 diff --git a/mytest/sys_ex_101.sel b/mytest/sys_ex_101.sel index d8afd8414..ef7f08560 100644 --- a/mytest/sys_ex_101.sel +++ b/mytest/sys_ex_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.363093656168 30272.2366949346 - 0.363093656174 30272.2366949088 - 0.363093656174 30272.2366949189 + 0.363093656168 30272.1971210850 + 0.363093656174 30272.1971210592 + 0.363093656174 30272.1971210693 diff --git a/mytest/sys_gas.out b/mytest/sys_gas.out index 36ab4ab07..4497b5f81 100644 --- a/mytest/sys_gas.out +++ b/mytest/sys_gas.out @@ -193,10 +193,10 @@ CO2(g) 2.40 2.498e+02 0.488 8.170e+01 8.163e+01 -6.501e-02 pH = 3.198 Charge balance pe = -1.225 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 102°C) = 441 + Specific Conductance (µS/cm, 102°C) = 428 Density (g/cm³) = 0.98180 Volume (L) = 0.00343 - Viscosity (mPa s) = 0.28924 + Viscosity (mPa s) = 0.29381 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.537e-04 Mass of water (kg) = 3.252e-03 @@ -293,10 +293,10 @@ CO2(g) 2.40 2.497e+02 0.488 8.163e+01 8.157e+01 -6.424e-02 pH = 3.199 Charge balance pe = -1.225 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 102°C) = 441 + Specific Conductance (µS/cm, 102°C) = 428 Density (g/cm³) = 0.98180 Volume (L) = 0.00581 - Viscosity (mPa s) = 0.28924 + Viscosity (mPa s) = 0.29381 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.535e-04 Mass of water (kg) = 5.504e-03 diff --git a/mytest/sys_gas_101.sel b/mytest/sys_gas_101.sel index b1127c459..2d6557009 100644 --- a/mytest/sys_gas_101.sel +++ b/mytest/sys_gas_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.000000977083 0.9766999218 - 0.000653736114 441.1402397307 - 0.000653542545 441.0250371316 + 0.000000977083 0.9766998773 + 0.000653736114 428.2845237945 + 0.000653542545 428.1800538335 diff --git a/mytest/sys_kin_101.sel b/mytest/sys_kin_101.sel index e9996e77e..2e3296a22 100644 --- a/mytest/sys_kin_101.sel +++ b/mytest/sys_kin_101.sel @@ -1,3 +1,3 @@ Mu SC 0.000000100661 0.0546997340 - 0.000755215446 67.0401823304 + 0.000755215446 67.0399832941 diff --git a/mytest/sys_sort.out b/mytest/sys_sort.out index dfc3769b7..b03a59e23 100644 --- a/mytest/sys_sort.out +++ b/mytest/sys_sort.out @@ -98,10 +98,10 @@ Counts: 7 7 7 pH = 7.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 362 + Specific Conductance (µS/cm, 25°C) = 361 Density (g/cm³) = 0.99730 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89263 + Viscosity (mPa s) = 0.89382 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.906e-03 Mass of water (kg) = 1.000e+00 diff --git a/mytest/sys_sort_101.sel b/mytest/sys_sort_101.sel index 4aa630835..a23a6863b 100644 --- a/mytest/sys_sort_101.sel +++ b/mytest/sys_sort_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.005905633221 362.1296408952 + 0.005905633221 361.8529555767 diff --git a/mytest/t2.out b/mytest/t2.out index 2cad9a7e9..d51c4c4de 100644 --- a/mytest/t2.out +++ b/mytest/t2.out @@ -91,7 +91,6 @@ H(0) 1.413e-25 H2 7.063e-26 7.079e-26 -25.151 -25.150 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.033e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.119e-20 9.140e-20 -19.040 -19.039 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.081 -42.080 0.001 30.40 @@ -143,11 +142,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 11.893 Charge balance - pe = -6.227 Adjusted to redox equilibrium + pe = -6.228 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 4788 Density (g/cm³) = 1.00626 Volume (L) = 0.99962 - Viscosity (mPa s) = 1.82494 + Viscosity (mPa s) = 1.82507 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.587e-01 Mass of water (kg) = 1.000e+00 @@ -168,8 +167,8 @@ Reaction 1. OH- 1.225e-03 8.988e-04 -2.912 -3.046 -0.135 -5.72 H+ 1.574e-12 1.278e-12 -11.803 -11.893 -0.090 0.00 H2O 5.551e+01 9.971e-01 1.744 -0.001 0.000 18.02 -C(-4) 1.834e-26 - CH4 1.834e-26 1.903e-26 -25.736 -25.721 0.016 32.63 +C(-4) 1.861e-26 + CH4 1.861e-26 1.931e-26 -25.730 -25.714 0.016 32.63 C(4) 5.000e-02 CO3-2 4.878e-02 1.689e-02 -1.312 -1.772 -0.461 -7.80 HCO3- 1.197e-03 9.179e-04 -2.922 -3.037 -0.115 21.45 @@ -179,20 +178,19 @@ C(4) 5.000e-02 Cl 1.000e-02 Cl- 1.000e-02 7.407e-03 -2.000 -2.130 -0.130 16.73 HCl 3.260e-15 3.809e-15 -14.487 -14.419 0.068 (0) -H(0) 8.325e-15 - H2 4.162e-15 4.317e-15 -14.381 -14.365 0.016 28.65 +H(0) 8.355e-15 + H2 4.178e-15 4.333e-15 -14.379 -14.363 0.016 28.65 Na 1.100e-01 Na+ 1.100e-01 8.439e-02 -0.959 -1.074 -0.115 -2.94 NaHCO3 2.888e-05 3.107e-05 -4.539 -4.508 0.032 31.92 - NaOH 7.313e-15 7.585e-15 -14.136 -14.120 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -72.475 -72.460 0.016 27.49 + O2 0.000e+00 0.000e+00 -72.479 -72.463 0.016 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) - CH4(g) -23.25 -25.72 -2.47 CH4 + CH4(g) -23.24 -25.71 -2.47 CH4 CO2(g) -7.24 -8.35 -1.11 CO2 H2(g) -11.35 -14.36 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O @@ -234,11 +232,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 11.264 Charge balance - pe = -5.658 Adjusted to redox equilibrium + pe = -5.657 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9624 Density (g/cm³) = 1.00294 Volume (L) = 1.00293 - Viscosity (mPa s) = 0.91407 + Viscosity (mPa s) = 0.91419 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.573e-01 Mass of water (kg) = 1.000e+00 @@ -259,8 +257,8 @@ Reaction 1. OH- 2.551e-03 1.853e-03 -2.593 -2.732 -0.139 -3.59 H+ 6.749e-12 5.447e-12 -11.171 -11.264 -0.093 0.00 H2O 5.551e+01 9.971e-01 1.744 -0.001 0.000 18.07 -C(-4) 7.640e-29 - CH4 7.640e-29 7.922e-29 -28.117 -28.101 0.016 35.46 +C(-4) 7.520e-29 + CH4 7.520e-29 7.797e-29 -28.124 -28.108 0.016 35.46 C(4) 5.000e-02 CO3-2 4.745e-02 1.589e-02 -1.324 -1.799 -0.475 -2.44 HCO3- 2.426e-03 1.846e-03 -2.615 -2.734 -0.119 25.05 @@ -270,25 +268,24 @@ C(4) 5.000e-02 Cl 1.000e-02 Cl- 1.000e-02 7.334e-03 -2.000 -2.135 -0.135 18.41 HCl 1.179e-14 1.376e-14 -13.928 -13.861 0.067 (0) -H(0) 8.374e-15 - H2 4.187e-15 4.341e-15 -14.378 -14.362 0.016 28.61 +H(0) 8.341e-15 + H2 4.170e-15 4.324e-15 -14.380 -14.364 0.016 28.61 Na 1.100e-01 Na+ 1.099e-01 8.351e-02 -0.959 -1.078 -0.119 -0.99 NaHCO3 1.249e-04 1.343e-04 -3.903 -3.872 0.031 31.73 - NaOH 1.492e-14 1.547e-14 -13.826 -13.810 0.016 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.674 -63.658 0.016 30.40 + O2 0.000e+00 0.000e+00 -63.670 -63.654 0.016 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - CH4(g) -25.30 -28.10 -2.80 CH4 + CH4(g) -25.31 -28.11 -2.80 CH4 CO2(g) -6.18 -7.64 -1.47 CO2 H2(g) -11.26 -14.36 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -4.78 -3.21 1.57 NaCl - O2(g) -60.77 -63.66 -2.89 O2 + O2(g) -60.76 -63.65 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -325,18 +322,18 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 10.809 Charge balance - pe = -5.252 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 15519 + pe = -5.250 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 50°C) = 15517 Density (g/cm³) = 0.99371 Volume (L) = 1.01225 - Viscosity (mPa s) = 0.56427 + Viscosity (mPa s) = 0.56442 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.547e-01 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 1.000e-01 Total CO2 (mol/kg) = 5.000e-02 Temperature (°C) = 50.00 - Electrical balance (eq) = -2.654e-09 + Electrical balance (eq) = -2.652e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -350,8 +347,8 @@ Reaction 1. OH- 4.900e-03 3.515e-03 -2.310 -2.454 -0.144 -3.20 H+ 1.939e-11 1.552e-11 -10.712 -10.809 -0.097 0.00 H2O 5.551e+01 9.970e-01 1.744 -0.001 0.000 18.23 -C(-4) 4.828e-31 - CH4 4.828e-31 5.003e-31 -30.316 -30.301 0.015 37.33 +C(-4) 4.661e-31 + CH4 4.661e-31 4.830e-31 -30.332 -30.316 0.015 37.33 C(4) 5.000e-02 CO3-2 4.510e-02 1.450e-02 -1.346 -1.839 -0.493 -1.48 HCO3- 4.467e-03 3.364e-03 -2.350 -2.473 -0.123 26.07 @@ -361,25 +358,24 @@ C(4) 5.000e-02 Cl 1.000e-02 Cl- 1.000e-02 7.246e-03 -2.000 -2.140 -0.140 18.65 HCl 2.852e-14 3.319e-14 -13.545 -13.479 0.066 (0) -H(0) 8.344e-15 - H2 4.172e-15 4.323e-15 -14.380 -14.364 0.015 28.59 +H(0) 8.271e-15 + H2 4.135e-15 4.285e-15 -14.383 -14.368 0.015 28.59 Na 1.100e-01 Na+ 1.096e-01 8.229e-02 -0.960 -1.085 -0.124 -0.08 NaHCO3 4.324e-04 4.643e-04 -3.364 -3.333 0.031 31.42 - NaOH 2.791e-14 2.893e-14 -13.554 -13.539 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.226 -56.210 0.015 31.92 + O2 0.000e+00 0.000e+00 -56.218 -56.203 0.015 31.92 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(323 K, 1 atm) - CH4(g) -27.34 -30.30 -2.96 CH4 + CH4(g) -27.36 -30.32 -2.96 CH4 CO2(g) -5.28 -7.00 -1.71 CO2 - H2(g) -11.23 -14.36 -3.14 H2 + H2(g) -11.23 -14.37 -3.14 H2 H2O(g) -0.92 -0.00 0.92 H2O Halite -4.81 -3.22 1.59 NaCl - O2(g) -53.18 -56.21 -3.03 O2 + O2(g) -53.17 -56.20 -3.03 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -416,11 +412,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 10.481 Charge balance - pe = -4.965 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 22047 + pe = -4.966 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 75°C) = 22041 Density (g/cm³) = 0.98043 Volume (L) = 1.02596 - Viscosity (mPa s) = 0.39310 + Viscosity (mPa s) = 0.39335 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.500e-01 Mass of water (kg) = 9.998e-01 @@ -441,8 +437,8 @@ Reaction 1. OH- 8.744e-03 6.189e-03 -2.058 -2.208 -0.150 -3.73 H+ 4.167e-11 3.306e-11 -10.380 -10.481 -0.101 0.00 H2O 5.551e+01 9.970e-01 1.744 -0.001 0.000 18.48 -C(-4) 4.446e-33 - CH4 4.446e-33 4.602e-33 -32.352 -32.337 0.015 39.08 +C(-4) 4.515e-33 + CH4 4.515e-33 4.674e-33 -32.345 -32.330 0.015 39.08 C(4) 5.001e-02 CO3-2 4.126e-02 1.267e-02 -1.384 -1.897 -0.513 -2.85 HCO3- 7.507e-03 5.588e-03 -2.125 -2.253 -0.128 25.80 @@ -452,20 +448,19 @@ C(4) 5.001e-02 Cl 1.000e-02 Cl- 1.000e-02 7.150e-03 -2.000 -2.146 -0.146 18.09 HCl 5.155e-14 5.972e-14 -13.288 -13.224 0.064 (0) -H(0) 8.297e-15 - H2 4.148e-15 4.294e-15 -14.382 -14.367 0.015 28.58 +H(0) 8.329e-15 + H2 4.164e-15 4.311e-15 -14.380 -14.365 0.015 28.58 Na 1.100e-01 Na+ 1.088e-01 8.058e-02 -0.963 -1.094 -0.130 0.45 NaHCO3 1.235e-03 1.324e-03 -2.908 -2.878 0.030 30.97 - NaOH 4.818e-14 4.987e-14 -13.317 -13.302 0.015 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -49.845 -49.830 0.015 32.99 + O2 0.000e+00 0.000e+00 -49.848 -49.833 0.015 32.99 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(348 K, 1 atm) - CH4(g) -29.32 -32.34 -3.01 CH4 + CH4(g) -29.32 -32.33 -3.01 CH4 CO2(g) -4.54 -6.41 -1.87 CO2 H2(g) -11.23 -14.37 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O @@ -508,17 +503,17 @@ Reaction 1. pH = 10.244 Charge balance pe = -4.765 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 28718 + Specific Conductance (µS/cm, 100°C) = 28696 Density (g/cm³) = 0.96393 Volume (L) = 1.04352 - Viscosity (mPa s) = 0.29641 + Viscosity (mPa s) = 0.29690 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.426e-01 Mass of water (kg) = 9.997e-01 Total alkalinity (eq/kg) = 1.000e-01 Total CO2 (mol/kg) = 5.001e-02 Temperature (°C) = 100.00 - Electrical balance (eq) = -2.627e-09 + Electrical balance (eq) = -2.628e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -532,8 +527,8 @@ Reaction 1. OH- 1.448e-02 1.011e-02 -1.839 -1.995 -0.156 -5.04 H+ 7.251e-11 5.697e-11 -10.140 -10.244 -0.105 0.00 H2O 5.551e+01 9.969e-01 1.744 -0.001 0.000 18.80 -C(-4) 5.823e-35 - CH4 5.823e-35 6.018e-35 -34.235 -34.221 0.014 41.06 +C(-4) 5.746e-35 + CH4 5.746e-35 5.938e-35 -34.241 -34.226 0.014 41.06 C(4) 5.001e-02 CO3-2 3.554e-02 1.040e-02 -1.449 -1.983 -0.534 -6.21 HCO3- 1.151e-02 8.467e-03 -1.939 -2.072 -0.133 24.49 @@ -543,20 +538,19 @@ C(4) 5.001e-02 Cl 1.000e-02 Cl- 1.000e-02 7.052e-03 -2.000 -2.152 -0.152 16.84 HCl 7.559e-14 8.693e-14 -13.122 -13.061 0.061 (0) -H(0) 8.314e-15 - H2 4.157e-15 4.296e-15 -14.381 -14.367 0.014 28.57 +H(0) 8.286e-15 + H2 4.143e-15 4.281e-15 -14.383 -14.368 0.014 28.57 Na 1.100e-01 Na+ 1.071e-01 7.816e-02 -0.970 -1.107 -0.137 0.79 NaHCO3 2.962e-03 3.163e-03 -2.528 -2.500 0.029 30.34 - NaOH 7.645e-14 7.900e-14 -13.117 -13.102 0.014 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -44.324 -44.309 0.014 33.90 + O2 0.000e+00 0.000e+00 -44.321 -44.306 0.014 33.90 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(373 K, 1 atm) - CH4(g) -31.22 -34.22 -3.00 CH4 + CH4(g) -31.22 -34.23 -3.00 CH4 CO2(g) -3.91 -5.89 -1.98 CO2 H2(g) -11.27 -14.37 -3.10 H2 H2O(g) -0.01 -0.00 0.00 H2O @@ -598,11 +592,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 10.072 Charge balance - pe = -4.627 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 125°C) = 35159 + pe = -4.625 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 125°C) = 35081 Density (g/cm³) = 0.94466 Volume (L) = 1.06481 - Viscosity (mPa s) = 0.23304 + Viscosity (mPa s) = 0.23424 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.320e-01 Mass of water (kg) = 9.996e-01 @@ -610,7 +604,7 @@ Reaction 1. Total CO2 (mol/kg) = 5.002e-02 Temperature (°C) = 125.00 Pressure (atm) = 2.28 - Electrical balance (eq) = -2.884e-09 + Electrical balance (eq) = -3.094e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 @@ -624,8 +618,8 @@ Reaction 1. OH- 2.203e-02 1.518e-02 -1.657 -1.819 -0.162 -7.26 H+ 1.088e-10 8.463e-11 -9.963 -10.072 -0.109 0.00 H2O 5.551e+01 9.968e-01 1.744 -0.001 0.000 19.19 -C(-4) 1.016e-36 - CH4 1.016e-36 1.048e-36 -35.993 -35.980 0.013 43.55 +C(-4) 9.793e-37 + CH4 9.793e-37 1.009e-36 -36.009 -35.996 0.013 43.55 C(4) 5.002e-02 CO3-2 2.799e-02 7.809e-03 -1.553 -2.107 -0.554 -11.82 HCO3- 1.603e-02 1.165e-02 -1.795 -1.934 -0.139 22.06 @@ -635,25 +629,24 @@ C(4) 5.002e-02 Cl 1.000e-02 Cl- 1.000e-02 6.959e-03 -2.000 -2.157 -0.158 14.79 HCl 9.595e-14 1.092e-13 -13.018 -12.962 0.056 (0) -H(0) 8.368e-15 - H2 4.184e-15 4.313e-15 -14.378 -14.365 0.013 28.56 +H(0) 8.291e-15 + H2 4.145e-15 4.273e-15 -14.382 -14.369 0.013 28.56 Na 1.100e-01 Na+ 1.040e-01 7.485e-02 -0.983 -1.126 -0.143 1.04 NaHCO3 5.996e-03 6.372e-03 -2.222 -2.196 0.026 29.45 - NaOH 1.102e-13 1.136e-13 -12.958 -12.945 0.013 (0) -O(0) 6.331e-40 - O2 3.165e-40 3.263e-40 -39.500 -39.486 0.013 34.83 +O(0) 6.449e-40 + O2 3.224e-40 3.324e-40 -39.492 -39.478 0.013 34.83 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(398 K, 2 atm) - CH4(g) -33.02 -35.98 -2.96 CH4 + CH4(g) -33.04 -36.00 -2.96 CH4 CO2(g) -3.38 -5.43 -2.04 CO2 H2(g) -11.32 -14.37 -3.05 H2 H2O(g) 0.35 -0.00 -0.35 H2O Halite -4.91 -3.28 1.63 NaCl - O2(g) -36.39 -39.49 -3.09 O2 + O2(g) -36.39 -39.48 -3.09 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -690,11 +683,11 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 9.944 Charge balance - pe = 0.282 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 41783 + pe = 0.284 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 150°C) = 41449 Density (g/cm³) = 0.92277 Volume (L) = 1.09007 - Viscosity (mPa s) = 0.17710 + Viscosity (mPa s) = 0.18072 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.194e-01 Mass of water (kg) = 9.995e-01 @@ -717,7 +710,7 @@ Reaction 1. H+ 1.479e-10 1.139e-10 -9.830 -9.944 -0.114 0.00 H2O 5.551e+01 9.968e-01 1.744 -0.001 0.000 19.65 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -76.130 -76.118 0.012 46.91 + CH4 0.000e+00 0.000e+00 -76.146 -76.134 0.012 46.91 C(4) 5.003e-02 HCO3- 2.011e-02 1.445e-02 -1.697 -1.840 -0.144 18.17 CO3-2 1.963e-02 5.225e-03 -1.707 -2.282 -0.575 -20.45 @@ -727,25 +720,24 @@ C(4) 5.003e-02 Cl 1.001e-02 Cl- 1.001e-02 6.872e-03 -2.000 -2.163 -0.163 11.65 HCl 1.106e-13 1.244e-13 -12.956 -12.905 0.051 (0) -H(0) 2.025e-24 - H2 1.012e-24 1.041e-24 -23.995 -23.983 0.012 28.56 +H(0) 2.007e-24 + H2 1.003e-24 1.031e-24 -23.999 -23.987 0.012 28.56 Na 1.101e-01 Na+ 9.978e-02 7.075e-02 -1.001 -1.150 -0.149 1.23 NaHCO3 1.028e-02 1.086e-02 -1.988 -1.964 0.024 28.18 - NaOH 1.423e-13 1.463e-13 -12.847 -12.835 0.012 (0) -O(0) 1.963e-16 - O2 9.816e-17 1.009e-16 -16.008 -15.996 0.012 35.91 +O(0) 1.999e-16 + O2 9.995e-17 1.027e-16 -16.000 -15.988 0.012 35.91 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(423 K, 5 atm) - CH4(g) -73.22 -76.12 -2.90 CH4 + CH4(g) -73.24 -76.13 -2.90 CH4 CO2(g) -2.94 -5.02 -2.07 CO2 - H2(g) -21.00 -23.98 -2.98 H2 + H2(g) -21.01 -23.99 -2.98 H2 H2O(g) 0.66 -0.00 -0.66 H2O Halite -4.95 -3.31 1.64 NaCl - O2(g) -12.95 -16.00 -3.04 O2 + O2(g) -12.95 -15.99 -3.04 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -783,10 +775,10 @@ Reaction 1. pH = 9.843 Charge balance pe = 0.604 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 59667 + Specific Conductance (µS/cm, 175°C) = 55593 Density (g/cm³) = 0.89825 Volume (L) = 1.11982 - Viscosity (mPa s) = 0.07578 + Viscosity (mPa s) = 0.08971 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.072e-01 Mass of water (kg) = 9.993e-01 @@ -824,7 +816,6 @@ H(0) 6.473e-25 Na 1.101e-01 Na+ 9.500e-02 6.630e-02 -1.022 -1.179 -0.156 1.40 NaHCO3 1.507e-02 1.584e-02 -1.822 -1.800 0.021 26.32 - NaOH 1.640e-13 1.681e-13 -12.785 -12.774 0.011 (0) O(0) 1.166e-11 O2 5.830e-12 5.976e-12 -11.234 -11.224 0.011 37.31 @@ -875,10 +866,10 @@ Reaction 1. pH = 9.767 Charge balance pe = 0.447 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 200°C) = 25205 + Specific Conductance (µS/cm, 200°C) = 25467 Density (g/cm³) = 0.87099 Volume (L) = 1.15488 - Viscosity (mPa s) = 4.50171 + Viscosity (mPa s) = 3.91356 Activity of water = 0.997 Ionic strength (mol/kgw) = 9.758e-02 Mass of water (kg) = 9.992e-01 @@ -916,7 +907,6 @@ H(0) 1.698e-24 Na 1.101e-01 Na+ 9.067e-02 6.203e-02 -1.043 -1.207 -0.165 1.56 NaHCO3 1.942e-02 2.031e-02 -1.712 -1.692 0.020 23.53 - NaOH 1.712e-13 1.751e-13 -12.767 -12.757 0.010 (0) O(0) 4.077e-09 O2 2.039e-09 2.085e-09 -8.691 -8.681 0.010 39.26 diff --git a/mytest/t2_101.sel b/mytest/t2_101.sel index d9149de38..ea6f401e4 100644 --- a/mytest/t2_101.sel +++ b/mytest/t2_101.sel @@ -1,11 +1,11 @@ Mu SC - 0.010000110800 1177.7200335390 - 0.158749197022 4788.2692749301 - 0.157331069278 9624.6575195766 - 0.154682114036 15519.5665098294 - 0.150046389721 22047.8588052813 - 0.142602929646 28718.0410711804 - 0.132041491086 35159.4056258381 - 0.119407539568 41783.8774900974 - 0.107169005002 59667.2123543183 - 0.097577510750 25205.5676547002 + 0.010000110800 1177.7200325803 + 0.158749197022 4788.0849578332 + 0.157331069278 9624.0352552419 + 0.154682114036 15517.4744442654 + 0.150046389721 22041.0427743565 + 0.142602929646 28696.1881844901 + 0.132041491096 35081.7681964765 + 0.119407539569 41449.2365104175 + 0.107169005002 55593.4520260722 + 0.097577510750 25467.0782592591 diff --git a/mytest/t922.out b/mytest/t922.out index 8d82718ed..0a519387b 100644 --- a/mytest/t922.out +++ b/mytest/t922.out @@ -74,7 +74,7 @@ Initial solution 1. Specific Conductance (µS/cm, 20°C) = 1128 Density (g/cm³) = 0.99871 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00756 + Viscosity (mPa s) = 1.00757 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.668e-02 Mass of water (kg) = 1.000e+00 @@ -170,7 +170,7 @@ Goethite 3.00 2.18 -0.82 1.000e-01 1.000e-01 -6.065e-11 Specific Conductance (µS/cm, 20°C) = 1128 Density (g/cm³) = 0.99871 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00756 + Viscosity (mPa s) = 1.00757 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.668e-02 Mass of water (kg) = 1.000e+00 @@ -398,7 +398,7 @@ X 1.250e-01 mol Specific Conductance (µS/cm, 20°C) = 1128 Density (g/cm³) = 0.99871 Volume (L) = 1.00192 - Viscosity (mPa s) = 1.00756 + Viscosity (mPa s) = 1.00757 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.668e-02 Mass of water (kg) = 1.000e+00 diff --git a/mytest/t922_101.sel b/mytest/t922_101.sel index 52a6fb64a..80e341d95 100644 --- a/mytest/t922_101.sel +++ b/mytest/t922_101.sel @@ -1,9 +1,9 @@ Mu SC - 0.016678590471 1128.0504564194 - 0.016678590482 1128.0504564916 - 0.016678590482 1128.0504564945 - 0.016678590482 1128.0504564916 - 0.016678590482 1128.0504564916 - 0.015000023116 1027.2969349042 - 0.016085179182 1082.5222100297 - 0.016665946250 1125.7084824969 + 0.016678590471 1128.0429614028 + 0.016678590482 1128.0429614798 + 0.016678590482 1128.0429614827 + 0.016678590482 1128.0429614798 + 0.016678590482 1128.0429614798 + 0.015000023116 1027.2969330813 + 0.016085179182 1082.5192941895 + 0.016665946250 1125.7013031632 diff --git a/mytest/ternary_101.sel b/mytest/ternary_101.sel index adedb6223..e96478b2b 100644 --- a/mytest/ternary_101.sel +++ b/mytest/ternary_101.sel @@ -1,52 +1,52 @@ Mu SC - 0.000547168350 372.5297817557 - 0.000534719193 364.9763024317 - 0.000516160605 353.6629765644 - 0.000497012699 341.8325538940 - 0.000477158385 329.4045020070 - 0.000456466811 316.2866616834 - 0.000434785319 302.3697395931 - 0.000411928742 287.5197502198 - 0.000387663809 271.5668139804 - 0.000361684619 254.2874091791 - 0.000333571146 235.3742483541 - 0.000657631318 438.0784456579 - 0.000637887083 426.9237258935 - 0.000617750253 415.3476655553 - 0.000597053949 403.2481418890 - 0.000575636727 390.5207591770 - 0.000553333194 377.0536609842 - 0.000529964255 362.7215835302 - 0.000505325786 347.3784187244 - 0.000479173931 330.8470693535 - 0.000451203985 312.9044850968 - 0.000739495954 485.8449484370 - 0.000718546222 474.5016000715 - 0.000697297791 462.7695556926 - 0.000675584219 450.5531265396 - 0.000653236982 437.7492919636 - 0.000630080639 424.2450712119 - 0.000605926618 409.9137521044 - 0.000580565005 394.6095490692 - 0.000553753279 378.1599377125 - 0.000525200145 360.3543246398 - 0.000803626541 523.2521235959 - 0.000779293948 510.4178884564 - 0.000754582362 497.0796118192 - 0.000729284483 483.1200634506 - 0.000703182821 468.4075089006 - 0.000676042583 452.7915057795 - 0.000647602259 436.0968334057 - 0.000617560475 418.1145761816 - 0.000585556756 398.5886662931 - 0.000551141854 377.1947846934 - 0.000860845410 556.6371537057 - 0.000832361075 541.9011323376 - 0.000803349787 526.4814891438 - 0.000773533468 510.2211078572 - 0.000742612650 492.9375736462 - 0.000710253604 474.4151982966 - 0.000676070702 454.3932358700 - 0.000639600492 432.5478582178 - 0.000600261138 408.4633577912 - 0.000557284550 381.5834807376 + 0.000547168350 372.5297811015 + 0.000534719193 364.9763017758 + 0.000516160605 353.6629759061 + 0.000497012699 341.8325532332 + 0.000477158385 329.4045013439 + 0.000456466811 316.2866610181 + 0.000434785319 302.3697389256 + 0.000411928742 287.5197495502 + 0.000387663809 271.5668133087 + 0.000361684619 254.2874085055 + 0.000333571146 235.3742476786 + 0.000657631318 438.0784449309 + 0.000637887083 426.9237251631 + 0.000617750253 415.3476648214 + 0.000597053949 403.2481411518 + 0.000575636727 390.5207584366 + 0.000553333194 377.0536602405 + 0.000529964255 362.7215827834 + 0.000505325786 347.3784179745 + 0.000479173931 330.8470686006 + 0.000451203985 312.9044843410 + 0.000739495954 485.8449476206 + 0.000718546222 474.5015992508 + 0.000697297791 462.7695548677 + 0.000675584219 450.5531257105 + 0.000653236982 437.7492911305 + 0.000630080639 424.2450703749 + 0.000605926618 409.9137512635 + 0.000580565005 394.6095482244 + 0.000553753279 378.1599368639 + 0.000525200145 360.3543237875 + 0.000803626541 523.2521226818 + 0.000779293948 510.4178875366 + 0.000754582362 497.0796108938 + 0.000729284483 483.1200625199 + 0.000703182821 468.4075079647 + 0.000676042583 452.7915048385 + 0.000647602259 436.0968324596 + 0.000617560475 418.1145752306 + 0.000585556756 398.5886653372 + 0.000551141854 377.1947837327 + 0.000860845410 556.6371526841 + 0.000832361075 541.9011313088 + 0.000803349787 526.4814881079 + 0.000773533468 510.2211068144 + 0.000742612650 492.9375725966 + 0.000710253604 474.4151972404 + 0.000676070702 454.3932348074 + 0.000639600492 432.5478571489 + 0.000600261138 408.4633567161 + 0.000557284550 381.5834796565 diff --git a/mytest/tn_KBr_101.sel b/mytest/tn_KBr_101.sel index 41e237051..25ce90be6 100644 --- a/mytest/tn_KBr_101.sel +++ b/mytest/tn_KBr_101.sel @@ -1,10 +1,10 @@ Mu SC - 0.000100101771 15.0831308800 - 0.000100034323 8.0716072203 - 0.000100043658 9.3875094303 - 0.000100068121 12.1604805109 - 0.000100077172 13.0234381407 - 0.000100101772 15.0831308796 - 0.000100146311 18.1169118935 - 0.000100203266 21.2275419669 - 0.000100273871 24.3824061444 + 0.000100101771 15.0831308860 + 0.000100034323 8.0716072229 + 0.000100043658 9.3875094334 + 0.000100068121 12.1604805154 + 0.000100077172 13.0234381457 + 0.000100101772 15.0831308856 + 0.000100146311 18.1169119001 + 0.000100203266 21.2275419710 + 0.000100273871 24.3824061393 diff --git a/mytest/transport.dl.out b/mytest/transport.dl.out index 5d8978e40..9f834b55e 100644 --- a/mytest/transport.dl.out +++ b/mytest/transport.dl.out @@ -295,7 +295,6 @@ Na 9.538e-03 Na+ 7.813e-03 5.827e-03 -2.107 -2.235 -0.127 -0.92 NaSO4- 1.725e-03 1.286e-03 -2.763 -2.891 -0.128 -0.67 NaHCO3 4.391e-11 4.833e-11 -10.357 -10.316 0.042 31.73 - NaOH 1.119e-23 1.174e-23 -22.951 -22.931 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.903 -56.882 0.021 30.40 S(6) 1.018e-01 @@ -407,7 +406,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 441 Density (g/cm³) = 0.99730 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89276 + Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.051e-03 Mass of water (kg) = 1.000e+00 @@ -564,7 +563,6 @@ Na 9.603e-04 Na+ 9.520e-04 8.774e-04 -3.021 -3.057 -0.035 -1.41 NaSO4- 6.724e-06 6.207e-06 -5.172 -5.207 -0.035 -16.67 NaHCO3 1.595e-06 1.600e-06 -5.797 -5.796 0.001 31.73 - NaOH 1.373e-20 1.375e-20 -19.862 -19.862 0.001 (0) O(0) 2.201e-04 O2 1.100e-04 1.102e-04 -3.958 -3.958 0.001 30.40 S(6) 7.002e-04 @@ -718,7 +716,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 4.258e-02 5.319e-02 1.061e-02 +Al(OH)3(a) 0.00 10.80 10.80 4.258e-02 5.319e-02 1.061e-02 AlOHSO4 -0.44 -2.64 -2.20 0.000e+00 0 0.000e+00 Calcite -2.86 -11.34 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.190e-01 8.187e-01 -3.201e-04 @@ -730,7 +728,7 @@ MnO2 -15.81 25.57 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 1.572e-16 Surface + diffuse layer charge, eq + 5.307e-17 Surface + diffuse layer charge, eq 1.001e-01 Surface charge, eq 2.477e-01 sigma, C/m² 7.583e-02 psi, V @@ -740,7 +738,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91355 mPa s for DDL water. + viscosity: 0.91361 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -796,14 +794,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 11268 Density (g/cm³) = 1.00974 Volume (L) = 1.00342 - Viscosity (mPa s) = 0.91355 + Viscosity (mPa s) = 0.91361 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.064e-01 Mass of water (kg) = 9.994e-01 Total alkalinity (eq/kg) = 2.752e-04 Total CO2 (mol/kg) = 5.318e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.280e-17 + Electrical balance (eq) = -1.689e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (14 overall) Total H = 1.109462e+02 @@ -952,7 +950,6 @@ Na 9.522e-03 Na+ 7.788e-03 5.812e-03 -2.109 -2.236 -0.127 -0.92 NaSO4- 1.734e-03 1.293e-03 -2.761 -2.888 -0.127 -0.74 NaHCO3 3.747e-07 4.121e-07 -6.426 -6.385 0.041 31.73 - NaOH 3.448e-21 3.616e-21 -20.462 -20.442 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.738 -52.718 0.021 30.40 S(-2) 2.527e-40 @@ -1009,7 +1006,7 @@ Zn 4.180e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -0.44 -2.64 -2.20 AlOHSO4 Alunite 8.79 7.39 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -1068,10 +1065,10 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 0.000e+00 2.518e-06 2.518e-06 +Al(OH)3(a) 0.00 10.80 10.80 0.000e+00 2.518e-06 2.518e-06 AlOHSO4 -1.63 -3.83 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.182e-01 8.638e-02 -3.179e-02 -Fe(OH)3 -0.00 4.89 4.89 7.999e-01 8.196e-01 1.968e-02 +Fe(OH)3 0.00 4.89 4.89 7.999e-01 8.196e-01 1.968e-02 Gypsum 0.00 -4.58 -4.58 2.868e-02 5.859e-02 2.990e-02 MnO2 -16.42 24.96 41.38 9.904e-03 0 -9.904e-03 @@ -1080,7 +1077,7 @@ MnO2 -16.42 24.96 41.38 9.904e-03 0 -9.904e-03 Diffuse Double Layer Surface-Complexation Model Surf - 5.583e-16 Surface + diffuse layer charge, eq + 5.666e-16 Surface + diffuse layer charge, eq 7.279e-02 Surface charge, eq 1.801e-01 sigma, C/m² 7.271e-02 psi, V @@ -1090,7 +1087,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.92363 mPa s for DDL water. + viscosity: 0.92890 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -1143,17 +1140,17 @@ Surf pH = 6.310 Charge balance pe = 1.256 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9008 + Specific Conductance (µS/cm, 25°C) = 8997 Density (g/cm³) = 1.00728 Volume (L) = 1.00202 - Viscosity (mPa s) = 0.92363 + Viscosity (mPa s) = 0.92890 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.583e-01 Mass of water (kg) = 9.976e-01 Total alkalinity (eq/kg) = 3.008e-02 Total CO2 (mol/kg) = 4.368e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.887e-16 + Electrical balance (eq) = 3.764e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (14 overall) Total H = 1.107762e+02 @@ -1302,7 +1299,6 @@ Na 9.446e-03 Na+ 8.090e-03 6.146e-03 -2.092 -2.211 -0.119 -0.99 NaSO4- 1.292e-03 9.844e-04 -2.889 -3.007 -0.118 -2.44 NaHCO3 6.437e-05 6.923e-05 -4.191 -4.160 0.032 31.73 - NaOH 1.222e-20 1.267e-20 -19.913 -19.897 0.016 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -55.833 -55.817 0.016 30.40 S(-2) 3.525e-35 @@ -1359,7 +1355,7 @@ Zn 2.268e-05 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -1.63 -3.83 -2.20 AlOHSO4 Alunite 6.97 5.57 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -1370,8 +1366,8 @@ Zn 2.268e-05 CO2(g) -0.38 -1.85 -1.47 CO2 Dolomite 0.14 -16.94 -17.08 CaMg(CO3)2 Epsomite -2.83 -4.57 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -27.24 -31.16 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -1423,14 +1419,14 @@ AlOHSO4 -1.39 -3.59 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.527e-01 1.557e-01 3.076e-03 Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 1.658e-08 Gypsum -0.18 -4.76 -4.58 0.000e+00 0 0.000e+00 -MnO2 0.00 41.38 41.38 4.501e-02 4.501e-02 -7.293e-11 +MnO2 -0.00 41.38 41.38 4.501e-02 4.501e-02 -7.294e-11 ------------------------------Surface composition------------------------------ Diffuse Double Layer Surface-Complexation Model Surf - -6.563e-17 Surface + diffuse layer charge, eq + -4.082e-18 Surface + diffuse layer charge, eq 7.034e-02 Surface charge, eq 1.740e-01 sigma, C/m² 8.188e-02 psi, V @@ -1440,7 +1436,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.92008 mPa s for DDL water. + viscosity: 0.93641 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -1493,18 +1489,18 @@ Surf pH = 6.050 Charge balance pe = 9.922 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6002 + Specific Conductance (µS/cm, 25°C) = 5963 Density (g/cm³) = 1.00289 Volume (L) = 1.00080 - Viscosity (mPa s) = 0.92008 + Viscosity (mPa s) = 0.93641 Activity of water = 0.998 Ionic strength (mol/kgw) = 9.840e-02 Mass of water (kg) = 9.959e-01 Total alkalinity (eq/kg) = 2.970e-02 Total CO2 (mol/kg) = 6.596e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.787e-17 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 3.565e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (16 overall) Total H = 1.105848e+02 Total O = 5.553573e+01 @@ -1652,7 +1648,6 @@ Na 9.283e-03 Na+ 8.483e-03 6.668e-03 -2.071 -2.176 -0.105 -1.10 NaSO4- 6.979e-04 5.517e-04 -3.156 -3.258 -0.102 -5.24 NaHCO3 1.021e-04 1.069e-04 -3.991 -3.971 0.020 31.73 - NaOH 7.385e-21 7.554e-21 -20.132 -20.122 0.010 (0) O(0) 1.255e-22 O2 6.275e-23 6.419e-23 -22.202 -22.193 0.010 30.40 S(-2) 0.000e+00 @@ -1739,7 +1734,7 @@ Zn 8.042e-06 Manganite 0.07 25.41 25.34 MnOOH Melanterite -10.25 -12.46 -2.21 FeSO4:7H2O Mirabilite -5.42 -6.66 -1.24 Na2SO4:10H2O - MnO2 0.00 41.38 41.38 MnO2 + MnO2 -0.00 41.38 41.38 MnO2 O2(g) -19.30 -22.19 -2.89 O2 Pyrite -164.67 -183.15 -18.48 FeS2 Pyrochroite -5.76 9.44 15.20 Mn(OH)2 @@ -1771,7 +1766,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -0.24 10.56 10.80 0.000e+00 0 0.000e+00 AlOHSO4 -3.50 -5.70 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.412e-01 1.458e-01 4.661e-03 -Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 7.035e-08 +Fe(OH)3 -0.00 4.89 4.89 7.300e-01 7.300e-01 7.035e-08 Gypsum -1.33 -5.91 -4.58 0.000e+00 0 0.000e+00 MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 1.871e-07 @@ -1780,7 +1775,7 @@ MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 1.871e-07 Diffuse Double Layer Surface-Complexation Model Surf - -2.397e-17 Surface + diffuse layer charge, eq + 4.885e-17 Surface + diffuse layer charge, eq 2.277e-02 Surface charge, eq 5.633e-02 sigma, C/m² 6.425e-02 psi, V @@ -1790,7 +1785,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91071 mPa s for DDL water. + viscosity: 0.91706 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -1843,19 +1838,19 @@ Surf pH = 6.766 Charge balance pe = 9.573 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 3574 + Specific Conductance (µS/cm, 25°C) = 3562 Density (g/cm³) = 0.99973 Volume (L) = 0.99942 - Viscosity (mPa s) = 0.91071 + Viscosity (mPa s) = 0.91706 Activity of water = 0.999 Ionic strength (mol/kgw) = 5.489e-02 Mass of water (kg) = 9.957e-01 Total alkalinity (eq/kg) = 2.435e-02 Total CO2 (mol/kg) = 3.138e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -8.332e-15 + Electrical balance (eq) = -6.450e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 1 (21 overall) + Iterations = 1 (24 overall) Total H = 1.105645e+02 Total O = 5.538627e+01 @@ -2002,7 +1997,6 @@ Na 9.701e-03 Na+ 9.299e-03 7.621e-03 -2.032 -2.118 -0.086 -1.20 NaSO4- 2.810e-04 2.316e-04 -3.551 -3.635 -0.084 -8.28 NaHCO3 1.200e-04 1.231e-04 -3.921 -3.910 0.011 31.73 - NaOH 4.434e-20 4.490e-20 -19.353 -19.348 0.005 (0) O(0) 3.701e-21 O2 1.850e-21 1.874e-21 -20.733 -20.727 0.005 30.40 S(-2) 0.000e+00 @@ -2070,8 +2064,8 @@ Zn 1.889e-08 CO2(g) -0.68 -2.14 -1.47 CO2 Dolomite 1.05 -16.03 -17.08 CaMg(CO3)2 Epsomite -3.25 -4.99 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -107.83 -111.74 -3.92 FeS Gibbsite 2.45 10.56 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -2121,7 +2115,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -1.41 9.39 10.80 0.000e+00 0 0.000e+00 AlOHSO4 -6.98 -9.18 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.405e-01 1.405e-01 2.220e-06 -Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 1.324e-10 +Fe(OH)3 -0.00 4.89 4.89 7.300e-01 7.300e-01 1.324e-10 Gypsum -2.20 -6.78 -4.58 0.000e+00 0 0.000e+00 MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -1.518e-11 @@ -2130,7 +2124,7 @@ MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -1.518e-11 Diffuse Double Layer Surface-Complexation Model Surf - -1.516e-14 Surface + diffuse layer charge, eq + -1.508e-14 Surface + diffuse layer charge, eq 1.037e-03 Surface charge, eq 2.565e-03 sigma, C/m² 5.137e-03 psi, V @@ -2140,7 +2134,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.90796 mPa s for DDL water. + viscosity: 0.90817 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -2196,14 +2190,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 3182 Density (g/cm³) = 0.99943 Volume (L) = 0.99938 - Viscosity (mPa s) = 0.90796 + Viscosity (mPa s) = 0.90817 Activity of water = 0.999 Ionic strength (mol/kgw) = 4.829e-02 Mass of water (kg) = 9.961e-01 Total alkalinity (eq/kg) = 1.558e-02 Total CO2 (mol/kg) = 1.541e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.585e-15 + Electrical balance (eq) = 6.452e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (22 overall) Total H = 1.105971e+02 @@ -2352,7 +2346,6 @@ Na 9.082e-03 Na+ 8.626e-03 7.132e-03 -2.064 -2.147 -0.083 -1.22 NaSO4- 3.868e-04 3.216e-04 -3.412 -3.493 -0.080 -8.90 NaHCO3 6.980e-05 7.137e-05 -4.156 -4.147 0.010 31.73 - NaOH 7.303e-19 7.384e-19 -18.137 -18.132 0.005 (0) O(0) 1.259e-05 O2 6.295e-06 6.365e-06 -5.201 -5.196 0.005 30.40 S(-2) 0.000e+00 @@ -2420,8 +2413,8 @@ Zn 1.115e-10 CO2(g) -2.13 -3.60 -1.47 CO2 Dolomite 2.06 -15.02 -17.08 CaMg(CO3)2 Epsomite -3.10 -4.84 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -145.09 -149.00 -3.92 FeS Gibbsite 1.28 9.39 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -2474,7 +2467,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 3.535e-02 2.770e-02 -7.646e-03 -AlOHSO4 -0.00 -2.20 -2.20 5.985e-02 7.800e-02 1.815e-02 +AlOHSO4 0.00 -2.20 -2.20 5.985e-02 7.800e-02 1.815e-02 Calcite -4.91 -13.39 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.174e-01 8.171e-01 -2.983e-04 Gypsum 0.00 -4.58 -4.58 1.413e-01 1.423e-01 1.024e-03 @@ -2485,7 +2478,7 @@ MnO2 -16.27 25.11 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - -1.506e-17 Surface + diffuse layer charge, eq + -1.340e-16 Surface + diffuse layer charge, eq 1.124e-01 Surface charge, eq 2.782e-01 sigma, C/m² 8.003e-02 psi, V @@ -2558,7 +2551,7 @@ Surf Total alkalinity (eq/kg) = 5.299e-05 Total CO2 (mol/kg) = 1.045e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.643e-16 + Electrical balance (eq) = -2.768e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (15 overall) Total H = 1.110197e+02 @@ -2707,7 +2700,6 @@ Na 9.537e-03 Na+ 7.890e-03 5.923e-03 -2.103 -2.227 -0.125 -0.95 NaSO4- 1.647e-03 1.238e-03 -2.783 -2.907 -0.124 -1.33 NaHCO3 5.547e-09 6.050e-09 -8.256 -8.218 0.038 31.73 - NaOH 2.057e-21 2.148e-21 -20.687 -20.668 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.935 -50.916 0.019 30.40 S(-2) 0.000e+00 @@ -2765,7 +2757,7 @@ Zn 3.596e-04 Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 - AlOHSO4 -0.00 -2.20 -2.20 AlOHSO4 + AlOHSO4 0.00 -2.20 -2.20 AlOHSO4 Alunite 9.45 8.05 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -5.06 -13.39 -8.34 CaCO3 @@ -2823,7 +2815,7 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 4.267e-04 5.451e-04 1.184e-04 +Al(OH)3(a) -0.00 10.80 10.80 4.267e-04 5.451e-04 1.184e-04 AlOHSO4 -3.37 -5.57 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 3.381e-02 2.800e-02 -5.806e-03 Fe(OH)3 0.00 4.89 4.89 8.199e-01 8.200e-01 1.326e-04 @@ -2835,7 +2827,7 @@ MnO2 -19.85 21.53 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 1.385e-17 Surface + diffuse layer charge, eq + 6.034e-17 Surface + diffuse layer charge, eq 4.627e-02 Surface charge, eq 1.145e-01 sigma, C/m² 5.776e-02 psi, V @@ -2845,7 +2837,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91484 mPa s for DDL water. + viscosity: 0.91489 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -2898,17 +2890,17 @@ Surf pH = 7.235 Charge balance pe = -1.786 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10204 + Specific Conductance (µS/cm, 25°C) = 10203 Density (g/cm³) = 1.00842 Volume (L) = 1.00370 - Viscosity (mPa s) = 0.91484 + Viscosity (mPa s) = 0.91489 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.838e-01 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 6.264e-03 Total CO2 (mol/kg) = 5.922e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.005e-16 + Electrical balance (eq) = 9.038e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (14 overall) Total H = 1.110011e+02 @@ -3057,7 +3049,6 @@ Na 9.542e-03 Na+ 7.928e-03 5.961e-03 -2.101 -2.225 -0.124 -0.95 NaSO4- 1.605e-03 1.208e-03 -2.795 -2.918 -0.123 -1.49 NaHCO3 9.278e-06 1.010e-05 -5.033 -4.996 0.037 31.73 - NaOH 9.923e-20 1.035e-19 -19.003 -18.985 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.301 -64.283 0.018 30.40 S(-2) 1.552e-19 @@ -3114,7 +3105,7 @@ Zn 1.360e-05 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.37 -5.57 -2.20 AlOHSO4 Alunite 4.38 2.98 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -3185,7 +3176,7 @@ MnO2 -18.97 22.41 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 6.797e-17 Surface + diffuse layer charge, eq + 1.337e-16 Surface + diffuse layer charge, eq 4.794e-02 Surface charge, eq 1.186e-01 sigma, C/m² 5.890e-02 psi, V @@ -3195,7 +3186,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91747 mPa s for DDL water. + viscosity: 0.91780 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -3248,17 +3239,17 @@ Surf pH = 6.880 Charge balance pe = -0.698 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10186 + Specific Conductance (µS/cm, 25°C) = 10185 Density (g/cm³) = 1.00854 Volume (L) = 1.00357 - Viscosity (mPa s) = 0.91747 + Viscosity (mPa s) = 0.91780 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.829e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 1.232e-02 Total CO2 (mol/kg) = 1.311e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.495e-15 + Electrical balance (eq) = 2.426e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (10 overall) Total H = 1.109829e+02 @@ -3407,7 +3398,6 @@ Na 9.550e-03 Na+ 7.956e-03 5.985e-03 -2.099 -2.223 -0.124 -0.96 NaSO4- 1.573e-03 1.185e-03 -2.803 -2.926 -0.123 -1.52 NaHCO3 2.065e-05 2.246e-05 -4.685 -4.649 0.037 31.73 - NaOH 4.391e-20 4.580e-20 -19.357 -19.339 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.376 -61.357 0.018 30.40 S(-2) 6.444e-25 @@ -3523,10 +3513,10 @@ Using pure phase assemblage 4. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 0.000e+00 2.218e-06 2.218e-06 +Al(OH)3(a) 0.00 10.80 10.80 0.000e+00 2.218e-06 2.218e-06 AlOHSO4 -1.42 -3.62 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.205e-01 8.814e-02 -3.233e-02 -Fe(OH)3 -0.00 4.89 4.89 7.798e-01 8.200e-01 4.012e-02 +Fe(OH)3 0.00 4.89 4.89 7.798e-01 8.200e-01 4.012e-02 Gypsum 0.00 -4.58 -4.58 2.985e-02 5.968e-02 2.983e-02 MnO2 -15.11 26.27 41.38 2.008e-02 0 -2.008e-02 @@ -3535,7 +3525,7 @@ MnO2 -15.11 26.27 41.38 2.008e-02 0 -2.008e-02 Diffuse Double Layer Surface-Complexation Model Surf - -3.682e-17 Surface + diffuse layer charge, eq + 5.081e-17 Surface + diffuse layer charge, eq 7.766e-02 Surface charge, eq 1.921e-01 sigma, C/m² 7.715e-02 psi, V @@ -3545,7 +3535,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.92354 mPa s for DDL water. + viscosity: 0.93260 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -3598,17 +3588,17 @@ Surf pH = 6.169 Charge balance pe = 2.072 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7973 + Specific Conductance (µS/cm, 25°C) = 7952 Density (g/cm³) = 1.00571 Volume (L) = 1.00190 - Viscosity (mPa s) = 0.92354 + Viscosity (mPa s) = 0.93260 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.373e-01 Mass of water (kg) = 9.973e-01 Total alkalinity (eq/kg) = 3.052e-02 Total CO2 (mol/kg) = 5.271e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.267e-15 + Electrical balance (eq) = 8.959e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (15 overall) Total H = 1.107403e+02 @@ -3757,7 +3747,6 @@ Na 9.533e-03 Na+ 8.337e-03 6.397e-03 -2.079 -2.194 -0.115 -1.02 NaSO4- 1.117e-03 8.610e-04 -2.952 -3.065 -0.113 -3.31 NaHCO3 7.868e-05 8.382e-05 -4.104 -4.077 0.027 31.73 - NaOH 9.239e-21 9.535e-21 -20.034 -20.021 0.014 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.132 -53.118 0.014 30.40 S(-2) 1.711e-40 @@ -3814,7 +3803,7 @@ Zn 3.318e-06 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -1.42 -3.62 -2.20 AlOHSO4 Alunite 7.26 5.86 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -3825,8 +3814,8 @@ Zn 3.318e-06 CO2(g) -0.17 -1.64 -1.47 CO2 Dolomite 0.12 -16.96 -17.08 CaMg(CO3)2 Epsomite -2.85 -4.59 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -33.11 -37.02 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -3878,14 +3867,14 @@ AlOHSO4 -1.22 -3.42 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.541e-01 1.536e-01 -4.742e-04 Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 -1.502e-08 Gypsum -0.02 -4.60 -4.58 0.000e+00 0 0.000e+00 -MnO2 -0.00 41.38 41.38 4.500e-02 4.500e-02 -9.239e-11 +MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -9.240e-11 ------------------------------Surface composition------------------------------ Diffuse Double Layer Surface-Complexation Model Surf - 9.186e-17 Surface + diffuse layer charge, eq + -5.851e-17 Surface + diffuse layer charge, eq 7.710e-02 Surface charge, eq 1.908e-01 sigma, C/m² 8.085e-02 psi, V @@ -3895,7 +3884,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.92239 mPa s for DDL water. + viscosity: 0.93745 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -3948,17 +3937,17 @@ Surf pH = 6.012 Charge balance pe = 9.929 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6918 + Specific Conductance (µS/cm, 25°C) = 6880 Density (g/cm³) = 1.00405 Volume (L) = 1.00137 - Viscosity (mPa s) = 0.92239 + Viscosity (mPa s) = 0.93745 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.156e-01 Mass of water (kg) = 9.963e-01 Total alkalinity (eq/kg) = 2.981e-02 Total CO2 (mol/kg) = 6.676e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = -4.199e-17 + Electrical balance (eq) = -9.919e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (16 overall) Total H = 1.106360e+02 @@ -4107,7 +4096,6 @@ Na 9.378e-03 Na+ 8.416e-03 6.538e-03 -2.075 -2.185 -0.110 -1.06 NaSO4- 8.697e-04 6.791e-04 -3.061 -3.168 -0.107 -4.32 NaHCO3 9.312e-05 9.821e-05 -4.031 -4.008 0.023 31.73 - NaOH 6.614e-21 6.793e-21 -20.180 -20.168 0.012 (0) O(0) 9.421e-23 O2 4.711e-23 4.838e-23 -22.327 -22.315 0.012 30.40 S(-2) 0.000e+00 @@ -4194,7 +4182,7 @@ Zn 2.529e-06 Manganite 0.10 25.44 25.34 MnOOH Melanterite -10.05 -12.25 -2.21 FeSO4:7H2O Mirabilite -5.34 -6.58 -1.24 Na2SO4:10H2O - MnO2 -0.00 41.38 41.38 MnO2 + MnO2 0.00 41.38 41.38 MnO2 O2(g) -19.42 -22.32 -2.89 O2 Pyrite -163.86 -182.34 -18.48 FeS2 Pyrochroite -5.70 9.50 15.20 Mn(OH)2 @@ -4240,7 +4228,7 @@ MnO2 -15.26 26.12 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - -4.860e-17 Surface + diffuse layer charge, eq + -2.112e-17 Surface + diffuse layer charge, eq 1.337e-01 Surface charge, eq 3.308e-01 sigma, C/m² 8.436e-02 psi, V @@ -4313,7 +4301,7 @@ Surf Total alkalinity (eq/kg) = 3.234e-06 Total CO2 (mol/kg) = 1.052e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.260e-16 + Electrical balance (eq) = -8.124e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (15 overall) Total H = 1.109898e+02 @@ -4462,7 +4450,6 @@ Na 9.531e-03 Na+ 7.877e-03 5.909e-03 -2.104 -2.228 -0.125 -0.94 NaSO4- 1.655e-03 1.242e-03 -2.781 -2.906 -0.124 -1.27 NaHCO3 2.329e-09 2.542e-09 -8.633 -8.595 0.038 31.73 - NaOH 6.795e-22 7.100e-22 -21.168 -21.149 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -47.092 -47.073 0.019 30.40 S(-2) 0.000e+00 @@ -4581,7 +4568,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 9.683e-04 1.097e-03 1.288e-04 AlOHSO4 -3.82 -6.02 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.077e-02 7.110e-03 -3.658e-03 -Fe(OH)3 0.00 4.89 4.89 8.204e-01 8.205e-01 1.320e-04 +Fe(OH)3 -0.00 4.89 4.89 8.204e-01 8.205e-01 1.320e-04 Gypsum 0.00 -4.58 -4.58 1.316e-01 1.351e-01 3.523e-03 MnO2 -20.49 20.89 41.38 0.000e+00 0 0.000e+00 @@ -4590,7 +4577,7 @@ MnO2 -20.49 20.89 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 1.642e-15 Surface + diffuse layer charge, eq + 1.580e-15 Surface + diffuse layer charge, eq 4.276e-02 Surface charge, eq 1.058e-01 sigma, C/m² 5.571e-02 psi, V @@ -4600,7 +4587,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91388 mPa s for DDL water. + viscosity: 0.91390 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -4656,14 +4643,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 10195 Density (g/cm³) = 1.00836 Volume (L) = 1.00364 - Viscosity (mPa s) = 0.91388 + Viscosity (mPa s) = 0.91390 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.838e-01 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 4.316e-03 Total CO2 (mol/kg) = 3.677e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.076e-15 + Electrical balance (eq) = 3.102e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (14 overall) Total H = 1.109954e+02 @@ -4812,7 +4799,6 @@ Na 9.536e-03 Na+ 7.917e-03 5.954e-03 -2.101 -2.225 -0.124 -0.95 NaSO4- 1.613e-03 1.214e-03 -2.792 -2.916 -0.123 -1.49 NaHCO3 5.575e-06 6.068e-06 -5.254 -5.217 0.037 31.73 - NaOH 1.658e-19 1.729e-19 -18.781 -18.762 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -66.116 -66.098 0.018 30.40 S(-2) 3.570e-16 @@ -4880,8 +4866,8 @@ Zn 1.410e-05 CO2(g) -2.57 -4.04 -1.47 CO2 Dolomite 0.21 -16.87 -17.08 CaMg(CO3)2 Epsomite -2.76 -4.50 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -6.30 -10.22 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -4940,7 +4926,7 @@ MnO2 -20.28 21.10 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - -2.193e-17 Surface + diffuse layer charge, eq + 5.283e-17 Surface + diffuse layer charge, eq 3.421e-02 Surface charge, eq 8.464e-02 sigma, C/m² 5.020e-02 psi, V @@ -4950,7 +4936,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91470 mPa s for DDL water. + viscosity: 0.91475 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -5006,14 +4992,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 10157 Density (g/cm³) = 1.00836 Volume (L) = 1.00369 - Viscosity (mPa s) = 0.91470 + Viscosity (mPa s) = 0.91475 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.829e-01 Mass of water (kg) = 9.999e-01 Total alkalinity (eq/kg) = 6.026e-03 Total CO2 (mol/kg) = 5.668e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.509e-15 + Electrical balance (eq) = 1.744e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (10 overall) Total H = 1.110018e+02 @@ -5162,7 +5148,6 @@ Na 9.540e-03 Na+ 7.930e-03 5.965e-03 -2.101 -2.224 -0.124 -0.96 NaSO4- 1.601e-03 1.206e-03 -2.796 -2.919 -0.123 -1.52 NaHCO3 8.918e-06 9.702e-06 -5.050 -5.013 0.037 31.73 - NaOH 1.032e-19 1.076e-19 -18.986 -18.968 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.438 -64.420 0.018 30.40 S(-2) 2.777e-19 @@ -5290,7 +5275,7 @@ MnO2 -19.66 21.72 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 2.320e-17 Surface + diffuse layer charge, eq + -3.178e-18 Surface + diffuse layer charge, eq 4.009e-02 Surface charge, eq 9.918e-02 sigma, C/m² 5.427e-02 psi, V @@ -5300,7 +5285,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91581 mPa s for DDL water. + viscosity: 0.91594 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -5356,14 +5341,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 10158 Density (g/cm³) = 1.00841 Volume (L) = 1.00364 - Viscosity (mPa s) = 0.91581 + Viscosity (mPa s) = 0.91594 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.827e-01 Mass of water (kg) = 9.998e-01 Total alkalinity (eq/kg) = 8.501e-03 Total CO2 (mol/kg) = 8.524e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.097e-15 + Electrical balance (eq) = 4.925e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (9 overall) Total H = 1.109946e+02 @@ -5512,7 +5497,6 @@ Na 9.543e-03 Na+ 7.941e-03 5.974e-03 -2.100 -2.224 -0.124 -0.96 NaSO4- 1.589e-03 1.197e-03 -2.799 -2.922 -0.123 -1.53 NaHCO3 1.354e-05 1.473e-05 -4.868 -4.832 0.037 31.73 - NaOH 6.751e-20 7.041e-20 -19.171 -19.152 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.927 -62.909 0.018 30.40 S(-2) 4.529e-22 @@ -5640,7 +5624,7 @@ MnO2 -18.69 22.69 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 2.223e-16 Surface + diffuse layer charge, eq + 2.243e-16 Surface + diffuse layer charge, eq 5.126e-02 Surface charge, eq 1.268e-01 sigma, C/m² 6.066e-02 psi, V @@ -5650,7 +5634,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91827 mPa s for DDL water. + viscosity: 0.91875 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -5703,17 +5687,17 @@ Surf pH = 6.808 Charge balance pe = -0.477 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10207 + Specific Conductance (µS/cm, 25°C) = 10206 Density (g/cm³) = 1.00860 Volume (L) = 1.00355 - Viscosity (mPa s) = 0.91827 + Viscosity (mPa s) = 0.91875 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.832e-01 Mass of water (kg) = 9.996e-01 Total alkalinity (eq/kg) = 1.422e-02 Total CO2 (mol/kg) = 1.550e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.009e-15 + Electrical balance (eq) = 5.864e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (9 overall) Total H = 1.109788e+02 @@ -5862,7 +5846,6 @@ Na 9.548e-03 Na+ 7.961e-03 5.988e-03 -2.099 -2.223 -0.124 -0.95 NaSO4- 1.564e-03 1.178e-03 -2.806 -2.929 -0.123 -1.52 NaHCO3 2.420e-05 2.633e-05 -4.616 -4.580 0.037 31.73 - NaOH 3.724e-20 3.885e-20 -19.429 -19.411 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.776 -60.758 0.018 30.40 S(-2) 5.149e-26 @@ -5995,7 +5978,7 @@ MnO2 -13.86 27.52 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 7.964e-16 Surface + diffuse layer charge, eq + 6.770e-16 Surface + diffuse layer charge, eq 1.458e-01 Surface charge, eq 3.606e-01 sigma, C/m² 8.573e-02 psi, V @@ -6068,7 +6051,7 @@ Surf Total alkalinity (eq/kg) = -1.326e-04 Total CO2 (mol/kg) = 1.046e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -3.148e-15 + Electrical balance (eq) = -2.942e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (11 overall) Total H = 1.109925e+02 @@ -6217,7 +6200,6 @@ Na 9.540e-03 Na+ 7.823e-03 5.844e-03 -2.107 -2.233 -0.127 -0.93 NaSO4- 1.717e-03 1.283e-03 -2.765 -2.892 -0.127 -0.84 NaHCO3 4.847e-10 5.322e-10 -9.315 -9.274 0.041 31.73 - NaOH 1.276e-22 1.337e-22 -21.894 -21.874 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -41.283 -41.263 0.020 30.40 S(-2) 0.000e+00 @@ -6345,7 +6327,7 @@ MnO2 -17.27 24.11 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - -7.625e-17 Surface + diffuse layer charge, eq + -3.444e-18 Surface + diffuse layer charge, eq 8.480e-02 Surface charge, eq 2.098e-01 sigma, C/m² 7.194e-02 psi, V @@ -6418,7 +6400,7 @@ Surf Total alkalinity (eq/kg) = 4.956e-05 Total CO2 (mol/kg) = 1.134e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.388e-15 + Electrical balance (eq) = 1.351e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (16 overall) Total H = 1.109758e+02 @@ -6567,7 +6549,6 @@ Na 9.533e-03 Na+ 7.820e-03 5.849e-03 -2.107 -2.233 -0.126 -0.93 NaSO4- 1.712e-03 1.281e-03 -2.766 -2.893 -0.126 -0.95 NaHCO3 1.421e-08 1.558e-08 -7.847 -7.807 0.040 31.73 - NaOH 1.643e-20 1.721e-20 -19.784 -19.764 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.130 -58.110 0.020 30.40 S(-2) 1.011e-30 @@ -6695,7 +6676,7 @@ MnO2 -20.11 21.27 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 1.174e-16 Surface + diffuse layer charge, eq + 7.466e-17 Surface + diffuse layer charge, eq 4.024e-02 Surface charge, eq 9.955e-02 sigma, C/m² 5.431e-02 psi, V @@ -6705,7 +6686,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91454 mPa s for DDL water. + viscosity: 0.91458 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -6761,14 +6742,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 10003 Density (g/cm³) = 1.00836 Volume (L) = 1.00330 - Viscosity (mPa s) = 0.91454 + Viscosity (mPa s) = 0.91458 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.814e-01 Mass of water (kg) = 9.995e-01 Total alkalinity (eq/kg) = 5.768e-03 Total CO2 (mol/kg) = 5.377e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.744e-15 + Electrical balance (eq) = 1.834e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (10 overall) Total H = 1.109609e+02 @@ -6917,7 +6898,6 @@ Na 9.523e-03 Na+ 7.913e-03 5.956e-03 -2.102 -2.225 -0.123 -0.96 NaSO4- 1.602e-03 1.207e-03 -2.795 -2.918 -0.123 -1.58 NaHCO3 8.481e-06 9.220e-06 -5.072 -5.035 0.036 31.73 - NaOH 1.086e-19 1.132e-19 -18.964 -18.946 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.598 -64.579 0.018 30.40 S(-2) 5.437e-19 @@ -7045,7 +7025,7 @@ MnO2 -20.43 20.95 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 7.458e-18 Surface + diffuse layer charge, eq + 1.689e-17 Surface + diffuse layer charge, eq 3.231e-02 Surface charge, eq 7.995e-02 sigma, C/m² 4.885e-02 psi, V @@ -7055,7 +7035,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91442 mPa s for DDL water. + viscosity: 0.91446 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -7111,14 +7091,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 10024 Density (g/cm³) = 1.00831 Volume (L) = 1.00334 - Viscosity (mPa s) = 0.91442 + Viscosity (mPa s) = 0.91446 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.813e-01 Mass of water (kg) = 9.995e-01 Total alkalinity (eq/kg) = 5.612e-03 Total CO2 (mol/kg) = 5.206e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.096e-13 + Electrical balance (eq) = 7.516e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (9 overall) Total H = 1.109648e+02 @@ -7267,7 +7247,6 @@ Na 9.519e-03 Na+ 7.913e-03 5.956e-03 -2.102 -2.225 -0.123 -0.96 NaSO4- 1.598e-03 1.205e-03 -2.796 -2.919 -0.123 -1.58 NaHCO3 8.203e-06 8.917e-06 -5.086 -5.050 0.036 31.73 - NaOH 1.120e-19 1.168e-19 -18.951 -18.933 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.715 -64.697 0.018 30.40 S(-2) 8.981e-19 @@ -7383,7 +7362,7 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 3.809e-05 4.410e-05 6.014e-06 +Al(OH)3(a) -0.00 10.80 10.80 3.809e-05 4.410e-05 6.014e-06 AlOHSO4 -3.23 -5.43 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 6.086e-02 5.964e-02 -1.217e-03 Fe(OH)3 0.00 4.89 4.89 8.195e-01 8.193e-01 -1.654e-04 @@ -7395,7 +7374,7 @@ MnO2 -19.98 21.40 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 2.387e-17 Surface + diffuse layer charge, eq + -3.945e-18 Surface + diffuse layer charge, eq 3.700e-02 Surface charge, eq 9.155e-02 sigma, C/m² 5.226e-02 psi, V @@ -7405,7 +7384,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91508 mPa s for DDL water. + viscosity: 0.91516 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -7461,14 +7440,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 10094 Density (g/cm³) = 1.00834 Volume (L) = 1.00334 - Viscosity (mPa s) = 0.91508 + Viscosity (mPa s) = 0.91516 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.819e-01 Mass of water (kg) = 9.995e-01 Total alkalinity (eq/kg) = 7.072e-03 Total CO2 (mol/kg) = 6.874e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.162e-13 + Electrical balance (eq) = 2.155e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (9 overall) Total H = 1.109632e+02 @@ -7617,7 +7596,6 @@ Na 9.529e-03 Na+ 7.927e-03 5.965e-03 -2.101 -2.224 -0.123 -0.96 NaSO4- 1.592e-03 1.199e-03 -2.798 -2.921 -0.123 -1.56 NaHCO3 1.092e-05 1.187e-05 -4.962 -4.926 0.036 31.73 - NaOH 8.389e-20 8.747e-20 -19.076 -19.058 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.697 -63.679 0.018 30.40 S(-2) 1.182e-20 @@ -7674,7 +7652,7 @@ Zn 4.283e-08 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.23 -5.43 -2.20 AlOHSO4 Alunite 4.60 3.20 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -7739,7 +7717,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 1. Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -3.54 7.26 10.80 0.000e+00 0 0.000e+00 -AlOHSO4 -0.00 -2.20 -2.20 2.334e-01 2.370e-01 3.672e-03 +AlOHSO4 0.00 -2.20 -2.20 2.334e-01 2.370e-01 3.672e-03 Calcite -8.29 -16.77 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.121e-01 8.116e-01 -5.345e-04 Gypsum 0.00 -4.58 -4.58 1.582e-01 1.594e-01 1.185e-03 @@ -7750,7 +7728,7 @@ MnO2 -12.74 28.64 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 6.240e-17 Surface + diffuse layer charge, eq + 3.860e-17 Surface + diffuse layer charge, eq 1.486e-01 Surface charge, eq 3.678e-01 sigma, C/m² 8.620e-02 psi, V @@ -7823,8 +7801,8 @@ Surf Total alkalinity (eq/kg) = -7.235e-04 Total CO2 (mol/kg) = 1.046e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.020e-17 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -8.982e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1 (11 overall) Total H = 1.110040e+02 Total O = 5.588764e+01 @@ -7972,7 +7950,6 @@ Na 9.539e-03 Na+ 7.823e-03 5.842e-03 -2.107 -2.233 -0.127 -0.93 NaSO4- 1.715e-03 1.280e-03 -2.766 -2.893 -0.127 -0.79 NaHCO3 1.371e-10 1.507e-10 -9.863 -9.822 0.041 31.73 - NaOH 3.515e-23 3.684e-23 -22.454 -22.434 0.020 (0) O(0) 3.144e-37 O2 1.572e-37 1.648e-37 -36.804 -36.783 0.020 30.40 S(-2) 0.000e+00 @@ -8030,7 +8007,7 @@ Zn 3.349e-04 Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.54 7.26 10.80 Al(OH)3 - AlOHSO4 -0.00 -2.20 -2.20 AlOHSO4 + AlOHSO4 0.00 -2.20 -2.20 AlOHSO4 Alunite 4.14 2.74 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -8.43 -16.77 -8.34 CaCO3 @@ -8088,7 +8065,7 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 1.679e-02 2.148e-02 4.688e-03 +Al(OH)3(a) 0.00 10.80 10.80 1.679e-02 2.148e-02 4.688e-03 AlOHSO4 -0.32 -2.52 -2.20 0.000e+00 0 0.000e+00 Calcite -4.66 -13.14 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.291e-01 8.294e-01 2.880e-04 @@ -8100,7 +8077,7 @@ MnO2 -15.88 25.50 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 5.151e-17 Surface + diffuse layer charge, eq + -2.841e-17 Surface + diffuse layer charge, eq 1.123e-01 Surface charge, eq 2.779e-01 sigma, C/m² 7.910e-02 psi, V @@ -8173,9 +8150,9 @@ Surf Total alkalinity (eq/kg) = 3.918e-05 Total CO2 (mol/kg) = 1.050e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -6.893e-17 + Electrical balance (eq) = -1.455e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 1 (17 overall) + Iterations = 1 (16 overall) Total H = 1.109687e+02 Total O = 5.584020e+01 @@ -8322,7 +8299,6 @@ Na 9.537e-03 Na+ 7.828e-03 5.851e-03 -2.106 -2.233 -0.126 -0.93 NaSO4- 1.709e-03 1.277e-03 -2.767 -2.894 -0.126 -0.90 NaHCO3 6.902e-09 7.572e-09 -8.161 -8.121 0.040 31.73 - NaOH 2.993e-21 3.135e-21 -20.524 -20.504 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.240 -52.220 0.020 30.40 S(-2) 0.000e+00 @@ -8379,7 +8355,7 @@ Zn 1.599e-03 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -0.32 -2.52 -2.20 AlOHSO4 Alunite 8.97 7.57 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -8438,7 +8414,7 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 6.807e-06 1.110e-06 -5.697e-06 +Al(OH)3(a) 0.00 10.80 10.80 6.807e-06 1.110e-06 -5.697e-06 AlOHSO4 -3.11 -5.31 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.250e-02 4.323e-03 -8.179e-03 Fe(OH)3 0.00 4.89 4.89 8.191e-01 8.194e-01 3.425e-04 @@ -8450,7 +8426,7 @@ MnO2 -18.88 22.50 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 2.040e-17 Surface + diffuse layer charge, eq + 1.649e-17 Surface + diffuse layer charge, eq 7.448e-02 Surface charge, eq 1.843e-01 sigma, C/m² 6.963e-02 psi, V @@ -8460,7 +8436,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91589 mPa s for DDL water. + viscosity: 0.91600 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -8516,15 +8492,15 @@ Surf Specific Conductance (µS/cm, 25°C) = 10342 Density (g/cm³) = 1.00884 Volume (L) = 1.00325 - Viscosity (mPa s) = 0.91589 + Viscosity (mPa s) = 0.91600 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.878e-01 Mass of water (kg) = 9.993e-01 Total alkalinity (eq/kg) = 8.357e-03 Total CO2 (mol/kg) = 8.218e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.255e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 4.611e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (12 overall) Total H = 1.109471e+02 Total O = 5.581348e+01 @@ -8672,7 +8648,6 @@ Na 9.536e-03 Na+ 7.900e-03 5.932e-03 -2.102 -2.227 -0.124 -0.95 NaSO4- 1.624e-03 1.221e-03 -2.789 -2.913 -0.124 -1.35 NaHCO3 1.263e-05 1.378e-05 -4.898 -4.861 0.038 31.73 - NaOH 7.304e-20 7.627e-20 -19.136 -19.118 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.195 -63.176 0.019 30.40 S(-2) 1.423e-21 @@ -8729,7 +8704,7 @@ Zn 6.832e-05 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.11 -5.31 -2.20 AlOHSO4 Alunite 4.79 3.39 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -8791,7 +8766,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 6.325e-05 6.593e-05 2.688e-06 AlOHSO4 -2.97 -5.17 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 6.014e-02 5.936e-02 -7.786e-04 -Fe(OH)3 -0.00 4.89 4.89 8.182e-01 8.180e-01 -1.931e-04 +Fe(OH)3 0.00 4.89 4.89 8.182e-01 8.180e-01 -1.931e-04 Gypsum 0.00 -4.58 -4.58 8.667e-02 8.735e-02 6.854e-04 MnO2 -19.37 22.01 41.38 0.000e+00 0 0.000e+00 @@ -8800,7 +8775,7 @@ MnO2 -19.37 22.01 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 3.172e-17 Surface + diffuse layer charge, eq + 2.575e-17 Surface + diffuse layer charge, eq 4.614e-02 Surface charge, eq 1.142e-01 sigma, C/m² 5.785e-02 psi, V @@ -8810,7 +8785,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91606 mPa s for DDL water. + viscosity: 0.91622 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -8863,18 +8838,18 @@ Surf pH = 7.029 Charge balance pe = -1.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10082 + Specific Conductance (µS/cm, 25°C) = 10081 Density (g/cm³) = 1.00846 Volume (L) = 1.00321 - Viscosity (mPa s) = 0.91606 + Viscosity (mPa s) = 0.91622 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.821e-01 Mass of water (kg) = 9.993e-01 Total alkalinity (eq/kg) = 9.163e-03 Total CO2 (mol/kg) = 9.296e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.054e-12 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Electrical balance (eq) = 2.051e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (10 overall) Total H = 1.109476e+02 Total O = 5.580324e+01 @@ -9022,7 +8997,6 @@ Na 9.533e-03 Na+ 7.930e-03 5.967e-03 -2.101 -2.224 -0.124 -0.96 NaSO4- 1.588e-03 1.196e-03 -2.799 -2.922 -0.123 -1.55 NaHCO3 1.478e-05 1.607e-05 -4.830 -4.794 0.036 31.73 - NaOH 6.183e-20 6.448e-20 -19.209 -19.191 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.602 -62.584 0.018 30.40 S(-2) 1.143e-22 @@ -9090,8 +9064,8 @@ Zn 9.843e-07 CO2(g) -1.72 -3.19 -1.47 CO2 Dolomite 0.20 -16.88 -17.08 CaMg(CO3)2 Epsomite -2.77 -4.51 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -13.36 -17.27 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -9138,7 +9112,7 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 5.002e-05 4.584e-05 -4.176e-06 +Al(OH)3(a) -0.00 10.80 10.80 5.002e-05 4.584e-05 -4.176e-06 AlOHSO4 -3.24 -5.44 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 5.883e-02 6.012e-02 1.283e-03 Fe(OH)3 0.00 4.89 4.89 8.187e-01 8.187e-01 -5.766e-05 @@ -9150,7 +9124,7 @@ MnO2 -19.99 21.39 41.38 0.000e+00 0 0.000e+00 Diffuse Double Layer Surface-Complexation Model Surf - 7.390e-18 Surface + diffuse layer charge, eq + -4.293e-17 Surface + diffuse layer charge, eq 3.730e-02 Surface charge, eq 9.229e-02 sigma, C/m² 5.243e-02 psi, V @@ -9160,7 +9134,7 @@ Surf 3.900e+04 m² for 6.500e+01 g Water in diffuse layer: 3.900e-02 kg, 100.0% of total DDL-water. - viscosity: 0.91509 mPa s for DDL water. + viscosity: 0.91517 mPa s for DDL water. Total moles in diffuse layer (excluding water) @@ -9216,14 +9190,14 @@ Surf Specific Conductance (µS/cm, 25°C) = 10066 Density (g/cm³) = 1.00837 Volume (L) = 1.00327 - Viscosity (mPa s) = 0.91509 + Viscosity (mPa s) = 0.91517 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.818e-01 Mass of water (kg) = 9.994e-01 Total alkalinity (eq/kg) = 7.016e-03 Total CO2 (mol/kg) = 6.808e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.992e-15 + Electrical balance (eq) = 3.909e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 (9 overall) Total H = 1.109562e+02 @@ -9372,7 +9346,6 @@ Na 9.529e-03 Na+ 7.923e-03 5.962e-03 -2.101 -2.225 -0.123 -0.96 NaSO4- 1.596e-03 1.202e-03 -2.797 -2.920 -0.123 -1.56 NaHCO3 1.081e-05 1.175e-05 -4.966 -4.930 0.036 31.73 - NaOH 8.490e-20 8.853e-20 -19.071 -19.053 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.739 -63.720 0.018 30.40 S(-2) 1.415e-20 @@ -9429,7 +9402,7 @@ Zn 4.652e-08 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.24 -5.44 -2.20 AlOHSO4 Alunite 4.58 3.18 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 diff --git a/mytest/transport.dl_101.sel b/mytest/transport.dl_101.sel index db07a8df9..3622366df 100644 --- a/mytest/transport.dl_101.sel +++ b/mytest/transport.dl_101.sel @@ -1,128 +1,128 @@ Mu SC - 0.208365983949 11289.9870122895 - 0.006051493731 441.9088238081 - 0.099853200052 6090.8257859634 - 0.004835314485 361.6758345748 - 0.004835314485 361.6758345748 - 0.004835314485 361.6758345748 - 0.004835314485 361.6758345748 - 0.136247478778 7917.4004787576 - 0.062608289017 4051.9149835783 - 0.004835314485 361.6758345782 - 0.004835314485 361.6758345782 - 0.004835314485 361.6758345782 - 0.182617898706 10183.4220027723 - 0.100591221585 6133.3477860970 - 0.052339368853 3441.6983336581 - 0.004835314485 361.6758345782 - 0.004835314485 361.6758345782 - 0.196563622913 10810.6034937262 - 0.123613634394 7297.2795759068 - 0.067073735099 4308.1706906478 - 0.049835819566 3282.5370173361 - 0.004835314485 361.6758345782 - 0.206413052448 11268.1240696560 - 0.158270754708 9008.7138736646 - 0.098395795658 6002.0091285412 - 0.054885477653 3574.4096170117 - 0.048290512610 3182.7299892976 - 0.200033139390 10961.5376037024 - 0.185083983998 10306.8953485558 - 0.119126926914 7084.0619710388 - 0.070497769561 4474.5585281563 - 0.053539038281 3474.2384536092 - 0.191539519920 10561.0215971471 - 0.184947469487 10281.9108606607 - 0.125756114490 7399.0483624114 - 0.097225165253 5956.6028317421 - 0.056794101711 3635.7303039096 - 0.189297015123 10455.4369734412 - 0.184303844221 10237.3926318195 - 0.178978112287 10026.8083130211 - 0.116288688195 6949.4277674951 - 0.071917084451 4566.4958921701 - 0.188717375034 10428.0368319611 - 0.183931968214 10211.7517748853 - 0.183220007378 10214.8718037633 - 0.125111594584 7374.6386910134 - 0.096842044819 5948.4975397711 - 0.188559521661 10420.2496235198 - 0.183831720937 10204.0883524335 - 0.182925657369 10186.2510141772 - 0.137280570415 7973.7358356555 - 0.115601013900 6918.3423620029 - 0.188510406747 10417.4156292901 - 0.183834700197 10203.5459676577 - 0.182813032688 10170.0449870379 - 0.183567626640 10247.7170905983 - 0.120288614387 7145.1333178539 - 0.188491174573 10415.8901729357 - 0.183856013321 10204.0423720784 - 0.182793736441 10161.3289400883 - 0.183114472096 10207.3205040503 - 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NaOH 1.119e-23 1.174e-23 -22.951 -22.931 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.903 -56.882 0.021 30.40 S(6) 1.018e-01 @@ -406,7 +405,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 441 Density (g/cm³) = 0.99730 Volume (L) = 1.00303 - Viscosity (mPa s) = 0.89276 + Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.051e-03 Mass of water (kg) = 1.000e+00 @@ -563,7 +562,6 @@ Na 9.603e-04 Na+ 9.520e-04 8.774e-04 -3.021 -3.057 -0.035 -1.41 NaSO4- 6.724e-06 6.207e-06 -5.172 -5.207 -0.035 -16.67 NaHCO3 1.595e-06 1.600e-06 -5.797 -5.796 0.001 31.73 - NaOH 1.373e-20 1.375e-20 -19.862 -19.862 0.001 (0) O(0) 2.201e-04 O2 1.100e-04 1.102e-04 -3.958 -3.958 0.001 30.40 S(6) 7.002e-04 @@ -669,7 +667,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 4.257e-02 4.864e-02 6.078e-03 +Al(OH)3(a) -0.00 10.80 10.80 4.257e-02 4.864e-02 6.078e-03 AlOHSO4 0.00 -2.20 -2.20 0.000e+00 4.430e-03 4.430e-03 Calcite -4.92 -13.40 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.191e-01 8.187e-01 -3.221e-04 @@ -882,7 +880,6 @@ Na 9.542e-03 Na+ 7.707e-03 5.748e-03 -2.113 -2.240 -0.127 -0.92 NaSO4- 1.836e-03 1.369e-03 -2.736 -2.864 -0.128 -0.68 NaHCO3 5.539e-09 6.096e-09 -8.257 -8.215 0.042 31.73 - NaOH 2.121e-21 2.225e-21 -20.673 -20.653 0.021 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.041 -51.021 0.021 30.40 S(-2) 0.000e+00 @@ -939,7 +936,7 @@ Zn 6.805e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 0.00 -2.20 -2.20 AlOHSO4 Alunite 9.46 8.06 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -1052,10 +1049,10 @@ Surf pH = 6.427 Charge balance pe = 0.907 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9670 + Specific Conductance (µS/cm, 25°C) = 9663 Density (g/cm³) = 1.00778 Volume (L) = 1.00203 - Viscosity (mPa s) = 0.92397 + Viscosity (mPa s) = 0.92731 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.667e-01 Mass of water (kg) = 9.976e-01 @@ -1211,7 +1208,6 @@ Na 9.561e-03 Na+ 8.011e-03 6.064e-03 -2.096 -2.217 -0.121 -0.98 NaSO4- 1.494e-03 1.134e-03 -2.826 -2.945 -0.120 -2.12 NaHCO3 5.641e-05 6.091e-05 -4.249 -4.215 0.033 31.73 - NaOH 1.575e-20 1.637e-20 -19.803 -19.786 0.017 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.761 -56.744 0.017 30.40 S(-2) 1.852e-33 @@ -1330,9 +1326,9 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -0.10 10.70 10.80 9.817e-07 0 -9.817e-07 AlOHSO4 -1.30 -3.50 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.479e-01 1.459e-01 -1.927e-03 -Fe(OH)3 -0.00 4.89 4.89 7.300e-01 7.300e-01 -8.197e-09 +Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 -8.197e-09 Gypsum 0.00 -4.58 -4.58 0.000e+00 2.034e-03 2.034e-03 -MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -2.986e-11 +MnO2 -0.00 41.38 41.38 4.500e-02 4.500e-02 -2.988e-11 ------------------------------Surface composition------------------------------ @@ -1381,10 +1377,10 @@ Surf pH = 6.033 Charge balance pe = 9.887 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7248 + Specific Conductance (µS/cm, 25°C) = 7211 Density (g/cm³) = 1.00445 Volume (L) = 1.00096 - Viscosity (mPa s) = 0.92408 + Viscosity (mPa s) = 0.93915 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.199e-01 Mass of water (kg) = 9.958e-01 @@ -1540,7 +1536,6 @@ Na 9.578e-03 Na+ 8.483e-03 6.573e-03 -2.071 -2.182 -0.111 -1.05 NaSO4- 9.975e-04 7.767e-04 -3.001 -3.110 -0.109 -4.11 NaHCO3 9.786e-05 1.034e-04 -4.009 -3.985 0.024 31.73 - NaOH 6.967e-21 7.162e-21 -20.157 -20.145 0.012 (0) O(0) 7.721e-23 O2 3.861e-23 3.969e-23 -22.413 -22.401 0.012 30.40 S(-2) 0.000e+00 @@ -1608,8 +1603,8 @@ Zn 2.060e-05 CO2(g) 0.04 -1.42 -1.47 CO2 Dolomite 0.09 -16.99 -17.08 CaMg(CO3)2 Epsomite -2.88 -4.62 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -102.00 -105.92 -3.92 FeS Gibbsite 2.59 10.70 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -1627,7 +1622,7 @@ Zn 2.060e-05 Manganite 0.12 25.46 25.34 MnOOH Melanterite -10.01 -12.22 -2.21 FeSO4:7H2O Mirabilite -5.27 -6.51 -1.24 Na2SO4:10H2O - MnO2 0.00 41.38 41.38 MnO2 + MnO2 -0.00 41.38 41.38 MnO2 O2(g) -19.51 -22.40 -2.89 O2 Pyrite -163.51 -181.99 -18.48 FeS2 Pyrochroite -5.66 9.54 15.20 Mn(OH)2 @@ -1661,7 +1656,7 @@ AlOHSO4 -1.89 -4.09 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.415e-01 1.470e-01 5.562e-03 Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 6.771e-08 Gypsum -0.42 -5.00 -4.58 0.000e+00 0 0.000e+00 -MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -9.098e-11 +MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -9.097e-11 ------------------------------Surface composition------------------------------ @@ -1710,10 +1705,10 @@ Surf pH = 6.454 Charge balance pe = 9.696 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7659 + Specific Conductance (µS/cm, 25°C) = 7642 Density (g/cm³) = 1.00290 Volume (L) = 1.00076 - Viscosity (mPa s) = 0.93056 + Viscosity (mPa s) = 0.94036 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.043e-01 Mass of water (kg) = 9.956e-01 @@ -1869,7 +1864,6 @@ Na 9.580e-03 Na+ 8.088e-03 6.330e-03 -2.092 -2.199 -0.106 -1.08 NaSO4- 1.357e-03 1.068e-03 -2.867 -2.971 -0.104 -4.91 NaHCO3 1.350e-04 1.417e-04 -3.870 -3.849 0.021 31.73 - NaOH 1.776e-20 1.819e-20 -19.750 -19.740 0.010 (0) O(0) 6.464e-22 O2 3.232e-22 3.310e-22 -21.491 -21.480 0.010 30.40 S(-2) 0.000e+00 @@ -1988,9 +1982,9 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -1.31 9.49 10.80 0.000e+00 0 0.000e+00 AlOHSO4 -6.16 -8.36 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.405e-01 1.406e-01 1.164e-04 -Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 9.389e-10 +Fe(OH)3 -0.00 4.89 4.89 7.300e-01 7.300e-01 9.389e-10 Gypsum -1.93 -6.51 -4.58 0.000e+00 0 0.000e+00 -MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -7.692e-13 +MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -7.382e-13 ------------------------------Surface composition------------------------------ @@ -2039,10 +2033,10 @@ Surf pH = 7.985 Charge balance pe = 10.429 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9050 + Specific Conductance (µS/cm, 25°C) = 9049 Density (g/cm³) = 1.00324 Volume (L) = 1.00048 - Viscosity (mPa s) = 0.93735 + Viscosity (mPa s) = 0.93775 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.191e-01 Mass of water (kg) = 9.956e-01 @@ -2151,7 +2145,7 @@ Fe(2) 4.118e-16 FeOH+ 1.335e-18 1.031e-18 -17.875 -17.987 -0.112 (0) FeCl+ 4.414e-19 3.405e-19 -18.355 -18.468 -0.113 (0) Fe(OH)2 8.231e-22 8.460e-22 -21.085 -21.073 0.012 (0) - FeHSO4+ 6.910e-24 5.332e-24 -23.161 -23.273 -0.113 (0) + FeHSO4+ 6.910e-24 5.331e-24 -23.161 -23.273 -0.113 (0) Fe(OH)3- 3.926e-24 3.031e-24 -23.406 -23.518 -0.112 (0) Fe(HS)2 0.000e+00 0.000e+00 -254.597 -254.586 0.012 (0) Fe(HS)3- 0.000e+00 0.000e+00 -375.968 -376.081 -0.113 (0) @@ -2198,7 +2192,6 @@ Na 9.580e-03 Na+ 7.783e-03 6.034e-03 -2.109 -2.219 -0.111 -1.06 NaSO4- 1.644e-03 1.281e-03 -2.784 -2.892 -0.108 -4.15 NaHCO3 1.533e-04 1.619e-04 -3.815 -3.791 0.024 31.73 - NaOH 5.730e-19 5.890e-19 -18.242 -18.230 0.012 (0) O(0) 7.334e-13 O2 3.667e-13 3.769e-13 -12.436 -12.424 0.012 30.40 S(-2) 0.000e+00 @@ -2230,7 +2223,7 @@ S(6) 4.822e-02 FeSO4+ 1.606e-17 1.240e-17 -16.794 -16.906 -0.112 (0) Fe(SO4)2- 4.586e-18 3.539e-18 -17.339 -17.451 -0.113 (0) AlHSO4+2 3.703e-22 1.312e-22 -21.431 -21.882 -0.450 (0) - FeHSO4+ 6.910e-24 5.332e-24 -23.161 -23.273 -0.113 (0) + FeHSO4+ 6.910e-24 5.331e-24 -23.161 -23.273 -0.113 (0) FeHSO4+2 9.699e-25 3.437e-25 -24.013 -24.464 -0.450 (0) Zn 7.598e-10 Zn(CO3)2-2 6.512e-10 2.308e-10 -9.186 -9.637 -0.450 (0) @@ -2266,8 +2259,8 @@ Zn 7.598e-10 CO2(g) -1.68 -3.14 -1.47 CO2 Dolomite 2.13 -14.96 -17.08 CaMg(CO3)2 Epsomite -2.78 -4.51 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -128.10 -132.02 -3.92 FeS Gibbsite 1.38 9.49 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -2319,8 +2312,8 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 1.942e-02 1.182e-02 -7.602e-03 -AlOHSO4 0.00 -2.20 -2.20 7.566e-02 9.377e-02 1.810e-02 +Al(OH)3(a) -0.00 10.80 10.80 1.942e-02 1.182e-02 -7.602e-03 +AlOHSO4 -0.00 -2.20 -2.20 7.566e-02 9.377e-02 1.810e-02 Calcite -4.91 -13.39 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.176e-01 8.173e-01 -2.672e-04 Gypsum 0.00 -4.58 -4.58 1.469e-01 1.479e-01 1.051e-03 @@ -2532,7 +2525,6 @@ Na 9.538e-03 Na+ 7.884e-03 5.918e-03 -2.103 -2.228 -0.125 -0.95 NaSO4- 1.654e-03 1.242e-03 -2.782 -2.906 -0.124 -1.32 NaHCO3 5.551e-09 6.055e-09 -8.256 -8.218 0.038 31.73 - NaOH 2.060e-21 2.151e-21 -20.686 -20.667 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.938 -50.919 0.019 30.40 S(-2) 0.000e+00 @@ -2589,8 +2581,8 @@ Zn 3.424e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 - AlOHSO4 0.00 -2.20 -2.20 AlOHSO4 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + AlOHSO4 -0.00 -2.20 -2.20 AlOHSO4 Alunite 9.45 8.05 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -5.06 -13.39 -8.34 CaCO3 @@ -2648,10 +2640,10 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 5.181e-04 6.274e-04 1.093e-04 +Al(OH)3(a) 0.00 10.80 10.80 5.181e-04 6.274e-04 1.093e-04 AlOHSO4 -3.61 -5.81 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 2.946e-02 2.489e-02 -4.578e-03 -Fe(OH)3 -0.00 4.89 4.89 8.201e-01 8.202e-01 1.172e-04 +Fe(OH)3 0.00 4.89 4.89 8.201e-01 8.202e-01 1.172e-04 Gypsum 0.00 -4.58 -4.58 1.108e-01 1.151e-01 4.377e-03 MnO2 -20.24 21.14 41.38 0.000e+00 0 0.000e+00 @@ -2705,7 +2697,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 10171 Density (g/cm³) = 1.00836 Volume (L) = 1.00371 - Viscosity (mPa s) = 0.91425 + Viscosity (mPa s) = 0.91429 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.835e-01 Mass of water (kg) = 9.999e-01 @@ -2714,7 +2706,7 @@ Surf Temperature (°C) = 25.00 Electrical balance (eq) = 5.692e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29 - Iterations = 9 + Iterations = 11 Total H = 1.110045e+02 Total O = 5.582694e+01 @@ -2861,7 +2853,6 @@ Na 9.539e-03 Na+ 7.928e-03 5.963e-03 -2.101 -2.225 -0.124 -0.95 NaSO4- 1.604e-03 1.208e-03 -2.795 -2.918 -0.123 -1.50 NaHCO3 7.099e-06 7.725e-06 -5.149 -5.112 0.037 31.73 - NaOH 1.297e-19 1.353e-19 -18.887 -18.869 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.250 -65.232 0.018 30.40 S(-2) 8.816e-18 @@ -2918,7 +2909,7 @@ Zn 1.175e-05 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.61 -5.81 -2.20 AlOHSO4 Alunite 4.03 2.63 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -2929,8 +2920,8 @@ Zn 1.175e-05 CO2(g) -2.36 -3.83 -1.47 CO2 Dolomite 0.21 -16.87 -17.08 CaMg(CO3)2 Epsomite -2.76 -4.50 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -8.04 -11.95 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -2977,10 +2968,10 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 2.610e-05 4.072e-05 1.462e-05 +Al(OH)3(a) -0.00 10.80 10.80 2.610e-05 4.072e-05 1.462e-05 AlOHSO4 -3.01 -5.21 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 6.544e-02 6.200e-02 -3.436e-03 -Fe(OH)3 0.00 4.89 4.89 8.196e-01 8.195e-01 -9.459e-06 +Fe(OH)3 -0.00 4.89 4.89 8.196e-01 8.195e-01 -9.459e-06 Gypsum 0.00 -4.58 -4.58 7.637e-02 7.955e-02 3.172e-03 MnO2 -19.53 21.85 41.38 0.000e+00 0 0.000e+00 @@ -3034,7 +3025,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 9954 Density (g/cm³) = 1.00829 Volume (L) = 1.00356 - Viscosity (mPa s) = 0.91559 + Viscosity (mPa s) = 0.91574 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.809e-01 Mass of water (kg) = 9.998e-01 @@ -3190,7 +3181,6 @@ Na 9.540e-03 Na+ 7.990e-03 6.015e-03 -2.097 -2.221 -0.123 -0.96 NaSO4- 1.537e-03 1.159e-03 -2.813 -2.936 -0.123 -1.60 NaHCO3 1.390e-05 1.510e-05 -4.857 -4.821 0.036 31.73 - NaOH 6.423e-20 6.696e-20 -19.192 -19.174 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.755 -62.737 0.018 30.40 S(-2) 2.133e-22 @@ -3247,7 +3237,7 @@ Zn 1.067e-06 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.01 -5.21 -2.20 AlOHSO4 Alunite 4.92 3.52 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -3258,8 +3248,8 @@ Zn 1.067e-06 CO2(g) -1.76 -3.23 -1.47 CO2 Dolomite 0.20 -16.88 -17.08 CaMg(CO3)2 Epsomite -2.77 -4.51 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -13.05 -16.97 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -3360,10 +3350,10 @@ Surf pH = 6.214 Charge balance pe = 1.863 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 7714 + Specific Conductance (µS/cm, 25°C) = 7698 Density (g/cm³) = 1.00554 Volume (L) = 1.00177 - Viscosity (mPa s) = 0.92120 + Viscosity (mPa s) = 0.92817 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.370e-01 Mass of water (kg) = 9.975e-01 @@ -3519,7 +3509,6 @@ Na 9.562e-03 Na+ 8.444e-03 6.480e-03 -2.073 -2.188 -0.115 -1.03 NaSO4- 1.051e-03 8.101e-04 -2.978 -3.091 -0.113 -3.32 NaHCO3 6.686e-05 7.121e-05 -4.175 -4.147 0.027 31.73 - NaOH 1.037e-20 1.070e-20 -19.984 -19.971 0.014 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.791 -53.777 0.014 30.40 S(-2) 3.395e-39 @@ -3640,7 +3629,7 @@ AlOHSO4 -1.34 -3.54 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 1.440e-01 1.412e-01 -2.774e-03 Fe(OH)3 0.00 4.89 4.89 7.300e-01 7.300e-01 -1.470e-08 Gypsum 0.00 -4.58 -4.58 3.829e-03 6.176e-03 2.347e-03 -MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -3.898e-12 +MnO2 0.00 41.38 41.38 4.500e-02 4.500e-02 -3.894e-12 ------------------------------Surface composition------------------------------ @@ -3689,10 +3678,10 @@ Surf pH = 6.040 Charge balance pe = 9.826 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 6868 + Specific Conductance (µS/cm, 25°C) = 6835 Density (g/cm³) = 1.00420 Volume (L) = 1.00141 - Viscosity (mPa s) = 0.92088 + Viscosity (mPa s) = 0.93350 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.199e-01 Mass of water (kg) = 9.968e-01 @@ -3848,7 +3837,6 @@ Na 9.569e-03 Na+ 8.637e-03 6.692e-03 -2.064 -2.174 -0.111 -1.05 NaSO4- 8.497e-04 6.616e-04 -3.071 -3.179 -0.109 -4.11 NaHCO3 8.202e-05 8.668e-05 -4.086 -4.062 0.024 31.73 - NaOH 7.213e-21 7.415e-21 -20.142 -20.130 0.012 (0) O(0) 4.704e-23 O2 2.352e-23 2.418e-23 -22.629 -22.617 0.012 30.40 S(-2) 0.000e+00 @@ -4182,7 +4170,6 @@ Na 9.540e-03 Na+ 7.786e-03 5.824e-03 -2.109 -2.235 -0.126 -0.93 NaSO4- 1.754e-03 1.312e-03 -2.756 -2.882 -0.126 -0.96 NaHCO3 9.780e-10 1.072e-09 -9.010 -8.970 0.040 31.73 - NaOH 2.655e-22 2.779e-22 -21.576 -21.556 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -43.822 -43.802 0.020 30.40 S(-2) 0.000e+00 @@ -4355,7 +4342,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 10636 Density (g/cm³) = 1.00885 Volume (L) = 1.00351 - Viscosity (mPa s) = 0.91550 + Viscosity (mPa s) = 0.91554 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.884e-01 Mass of water (kg) = 9.995e-01 @@ -4364,7 +4351,7 @@ Surf Temperature (°C) = 25.00 Electrical balance (eq) = -1.494e-02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -7.48 - Iterations = 13 + Iterations = 11 Total H = 1.109608e+02 Total O = 5.583363e+01 @@ -4511,7 +4498,6 @@ Na 9.543e-03 Na+ 7.782e-03 5.843e-03 -2.109 -2.233 -0.125 -0.95 NaSO4- 1.752e-03 1.317e-03 -2.756 -2.880 -0.124 -1.33 NaHCO3 8.496e-06 9.266e-06 -5.071 -5.033 0.038 31.73 - NaOH 1.154e-19 1.205e-19 -18.938 -18.919 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.787 -64.768 0.019 30.40 S(-2) 1.305e-18 @@ -4627,10 +4613,10 @@ Using pure phase assemblage 3. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 1.018e-04 1.100e-04 8.195e-06 +Al(OH)3(a) 0.00 10.80 10.80 1.018e-04 1.100e-04 8.195e-06 AlOHSO4 -3.54 -5.74 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 5.489e-02 5.413e-02 -7.546e-04 -Fe(OH)3 -0.00 4.89 4.89 8.198e-01 8.196e-01 -1.374e-04 +Fe(OH)3 0.00 4.89 4.89 8.198e-01 8.196e-01 -1.374e-04 Gypsum 0.00 -4.58 -4.58 8.620e-02 8.692e-02 7.206e-04 MnO2 -20.55 20.83 41.38 0.000e+00 0 0.000e+00 @@ -4684,7 +4670,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 10744 Density (g/cm³) = 1.00878 Volume (L) = 1.00360 - Viscosity (mPa s) = 0.91529 + Viscosity (mPa s) = 0.91533 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.889e-01 Mass of water (kg) = 9.996e-01 @@ -4840,7 +4826,6 @@ Na 9.542e-03 Na+ 7.783e-03 5.842e-03 -2.109 -2.233 -0.125 -0.95 NaSO4- 1.751e-03 1.316e-03 -2.757 -2.881 -0.124 -1.32 NaHCO3 7.889e-06 8.606e-06 -5.103 -5.065 0.038 31.73 - NaOH 1.241e-19 1.296e-19 -18.906 -18.887 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.074 -65.055 0.019 30.40 S(-2) 4.474e-18 @@ -4897,7 +4882,7 @@ Zn 5.815e-07 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -3.54 -5.74 -2.20 AlOHSO4 Alunite 4.15 2.75 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -4908,8 +4893,8 @@ Zn 5.815e-07 CO2(g) -2.29 -3.76 -1.47 CO2 Dolomite 0.23 -16.86 -17.08 CaMg(CO3)2 Epsomite -2.75 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -8.37 -12.29 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -5013,7 +4998,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 10325 Density (g/cm³) = 1.00850 Volume (L) = 1.00360 - Viscosity (mPa s) = 0.91524 + Viscosity (mPa s) = 0.91531 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.845e-01 Mass of water (kg) = 9.997e-01 @@ -5169,7 +5154,6 @@ Na 9.541e-03 Na+ 7.886e-03 5.929e-03 -2.103 -2.227 -0.124 -0.95 NaSO4- 1.645e-03 1.238e-03 -2.784 -2.907 -0.123 -1.47 NaHCO3 1.008e-05 1.097e-05 -4.997 -4.960 0.037 31.73 - NaOH 9.304e-20 9.707e-20 -19.031 -19.013 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.064 -64.046 0.018 30.40 S(-2) 5.794e-20 @@ -5288,7 +5272,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) -0.00 10.80 10.80 1.972e-05 2.843e-05 8.704e-06 AlOHSO4 -2.85 -5.05 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 6.545e-02 6.203e-02 -3.425e-03 -Fe(OH)3 0.00 4.89 4.89 8.196e-01 8.195e-01 -1.144e-04 +Fe(OH)3 -0.00 4.89 4.89 8.196e-01 8.195e-01 -1.144e-04 Gypsum 0.00 -4.58 -4.58 7.380e-02 7.691e-02 3.115e-03 MnO2 -19.23 22.15 41.38 0.000e+00 0 0.000e+00 @@ -5339,10 +5323,10 @@ Surf pH = 6.956 Charge balance pe = -0.946 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 9873 + Specific Conductance (µS/cm, 25°C) = 9872 Density (g/cm³) = 1.00826 Volume (L) = 1.00350 - Viscosity (mPa s) = 0.91608 + Viscosity (mPa s) = 0.91630 Activity of water = 0.998 Ionic strength (mol/kgw) = 1.801e-01 Mass of water (kg) = 9.997e-01 @@ -5498,7 +5482,6 @@ Na 9.541e-03 Na+ 8.018e-03 6.038e-03 -2.096 -2.219 -0.123 -0.96 NaSO4- 1.506e-03 1.136e-03 -2.822 -2.945 -0.123 -1.62 NaHCO3 1.662e-05 1.805e-05 -4.779 -4.743 0.036 31.73 - NaOH 5.288e-20 5.512e-20 -19.277 -19.259 0.018 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.060 -62.042 0.018 30.40 S(-2) 1.117e-23 @@ -5566,8 +5549,8 @@ Zn 1.895e-07 CO2(g) -1.60 -3.07 -1.47 CO2 Dolomite 0.19 -16.89 -17.08 CaMg(CO3)2 Epsomite -2.78 -4.52 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -14.46 -18.37 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -5676,7 +5659,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 11131 Density (g/cm³) = 1.00978 Volume (L) = 1.00376 - Viscosity (mPa s) = 0.91338 + Viscosity (mPa s) = 0.91339 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.028e-01 Mass of water (kg) = 9.998e-01 @@ -5832,7 +5815,6 @@ Na 9.540e-03 Na+ 7.813e-03 5.838e-03 -2.107 -2.234 -0.127 -0.93 NaSO4- 1.727e-03 1.290e-03 -2.763 -2.889 -0.127 -0.85 NaHCO3 4.242e-10 4.658e-10 -9.372 -9.332 0.041 31.73 - NaOH 1.111e-22 1.164e-22 -21.954 -21.934 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -40.800 -40.780 0.020 30.40 S(-2) 0.000e+00 @@ -6161,7 +6143,6 @@ Na 9.541e-03 Na+ 7.780e-03 5.811e-03 -2.109 -2.236 -0.127 -0.93 NaSO4- 1.762e-03 1.316e-03 -2.754 -2.881 -0.127 -0.82 NaHCO3 1.194e-08 1.312e-08 -7.923 -7.882 0.041 31.73 - NaOH 1.128e-20 1.182e-20 -19.948 -19.927 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.820 -56.799 0.020 30.40 S(-2) 4.705e-33 @@ -6334,7 +6315,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 10538 Density (g/cm³) = 1.00894 Volume (L) = 1.00336 - Viscosity (mPa s) = 0.91673 + Viscosity (mPa s) = 0.91686 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.882e-01 Mass of water (kg) = 9.993e-01 @@ -6490,7 +6471,6 @@ Na 9.544e-03 Na+ 7.829e-03 5.878e-03 -2.106 -2.231 -0.124 -0.95 NaSO4- 1.701e-03 1.279e-03 -2.769 -2.893 -0.124 -1.34 NaHCO3 1.419e-05 1.547e-05 -4.848 -4.811 0.038 31.73 - NaOH 6.749e-20 7.048e-20 -19.171 -19.152 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.884 -62.865 0.019 30.40 S(-2) 3.941e-22 @@ -6609,7 +6589,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 5.932e-05 5.598e-05 -3.344e-06 AlOHSO4 -3.24 -5.44 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 5.731e-02 5.819e-02 8.776e-04 -Fe(OH)3 0.00 4.89 4.89 8.186e-01 8.184e-01 -2.959e-04 +Fe(OH)3 -0.00 4.89 4.89 8.186e-01 8.184e-01 -2.959e-04 Gypsum -0.00 -4.58 -4.58 8.199e-02 8.119e-02 -7.969e-04 MnO2 -20.00 21.38 41.38 0.000e+00 0 0.000e+00 @@ -6663,7 +6643,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 10661 Density (g/cm³) = 1.00882 Volume (L) = 1.00348 - Viscosity (mPa s) = 0.91612 + Viscosity (mPa s) = 0.91620 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.879e-01 Mass of water (kg) = 9.994e-01 @@ -6819,7 +6799,6 @@ Na 9.544e-03 Na+ 7.787e-03 5.847e-03 -2.109 -2.233 -0.124 -0.95 NaSO4- 1.745e-03 1.312e-03 -2.758 -2.882 -0.124 -1.35 NaHCO3 1.114e-05 1.215e-05 -4.953 -4.915 0.038 31.73 - NaOH 8.771e-20 9.159e-20 -19.057 -19.038 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.826 -63.807 0.019 30.40 S(-2) 2.192e-20 @@ -6887,8 +6866,8 @@ Zn 2.617e-07 CO2(g) -1.99 -3.46 -1.47 CO2 Dolomite 0.22 -16.86 -17.08 CaMg(CO3)2 Epsomite -2.75 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -10.88 -14.79 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -6938,7 +6917,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Al(OH)3(a) 0.00 10.80 10.80 5.275e-05 5.325e-05 4.934e-07 AlOHSO4 -3.39 -5.59 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 5.695e-02 5.686e-02 -8.067e-05 -Fe(OH)3 0.00 4.89 4.89 8.191e-01 8.190e-01 -1.843e-04 +Fe(OH)3 -0.00 4.89 4.89 8.191e-01 8.190e-01 -1.843e-04 Gypsum 0.00 -4.58 -4.58 8.162e-02 8.169e-02 6.637e-05 MnO2 -20.33 21.05 41.38 0.000e+00 0 0.000e+00 @@ -6992,7 +6971,7 @@ Surf Specific Conductance (µS/cm, 25°C) = 10724 Density (g/cm³) = 1.00882 Volume (L) = 1.00354 - Viscosity (mPa s) = 0.91572 + Viscosity (mPa s) = 0.91577 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.886e-01 Mass of water (kg) = 9.995e-01 @@ -7148,7 +7127,6 @@ Na 9.543e-03 Na+ 7.777e-03 5.838e-03 -2.109 -2.234 -0.125 -0.95 NaSO4- 1.757e-03 1.320e-03 -2.755 -2.879 -0.124 -1.33 NaHCO3 9.349e-06 1.020e-05 -5.029 -4.992 0.038 31.73 - NaOH 1.050e-19 1.097e-19 -18.979 -18.960 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -64.470 -64.452 0.019 30.40 S(-2) 3.424e-19 @@ -7216,8 +7194,8 @@ Zn 6.521e-08 CO2(g) -2.15 -3.61 -1.47 CO2 Dolomite 0.23 -16.86 -17.08 CaMg(CO3)2 Epsomite -2.75 -4.49 -1.74 MgSO4:7H2O - Fe(OH)3 0.00 4.89 4.89 Fe(OH)3 - Fe(OH)3(a) 0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3 -0.00 4.89 4.89 Fe(OH)3 + Fe(OH)3(a) -0.00 4.89 4.89 Fe(OH)3 FeS(ppt) -9.58 -13.50 -3.92 FeS Gibbsite 2.69 10.80 8.11 Al(OH)3 Goethite 5.89 4.89 -1.00 FeOOH @@ -7482,7 +7460,6 @@ Na 9.539e-03 Na+ 7.812e-03 5.834e-03 -2.107 -2.234 -0.127 -0.93 NaSO4- 1.727e-03 1.289e-03 -2.763 -2.890 -0.127 -0.80 NaHCO3 1.294e-10 1.422e-10 -9.888 -9.847 0.041 31.73 - NaOH 3.314e-23 3.473e-23 -22.480 -22.459 0.020 (0) O(0) 5.050e-37 O2 2.525e-37 2.647e-37 -36.598 -36.577 0.020 30.40 S(-2) 0.000e+00 @@ -7598,7 +7575,7 @@ Using pure phase assemblage 2. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 1.542e-02 9.677e-03 -5.745e-03 +Al(OH)3(a) 0.00 10.80 10.80 1.542e-02 9.677e-03 -5.745e-03 AlOHSO4 0.00 -2.20 -2.20 5.419e-03 1.666e-02 1.124e-02 Calcite -4.92 -13.40 -8.48 0.000e+00 0 0.000e+00 Fe(OH)3 0.00 4.89 4.89 8.310e-01 8.313e-01 3.476e-04 @@ -7811,7 +7788,6 @@ Na 9.538e-03 Na+ 7.854e-03 5.892e-03 -2.105 -2.230 -0.125 -0.94 NaSO4- 1.684e-03 1.264e-03 -2.774 -2.898 -0.124 -1.26 NaHCO3 5.559e-09 6.069e-09 -8.255 -8.217 0.038 31.73 - NaOH 2.072e-21 2.165e-21 -20.684 -20.664 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.953 -50.934 0.019 30.40 S(-2) 0.000e+00 @@ -7868,7 +7844,7 @@ Zn 5.931e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 0.00 -2.20 -2.20 AlOHSO4 Alunite 9.45 8.05 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -8140,7 +8116,6 @@ Na 9.540e-03 Na+ 7.787e-03 5.830e-03 -2.109 -2.234 -0.126 -0.94 NaSO4- 1.754e-03 1.314e-03 -2.756 -2.882 -0.125 -1.07 NaHCO3 1.536e-08 1.681e-08 -7.814 -7.774 0.039 31.73 - NaOH 7.590e-20 7.941e-20 -19.120 -19.100 0.020 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.452 -63.433 0.020 30.40 S(-2) 4.719e-21 @@ -8256,7 +8231,7 @@ Using pure phase assemblage 4. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) -0.00 10.80 10.80 7.216e-05 7.744e-05 5.276e-06 +Al(OH)3(a) 0.00 10.80 10.80 7.216e-05 7.744e-05 5.276e-06 AlOHSO4 -2.93 -5.13 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 5.134e-02 4.436e-02 -6.987e-03 Fe(OH)3 0.00 4.89 4.89 8.173e-01 8.177e-01 4.293e-04 @@ -8310,10 +8285,10 @@ Surf pH = 7.031 Charge balance pe = -1.134 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10630 + Specific Conductance (µS/cm, 25°C) = 10629 Density (g/cm³) = 1.00895 Volume (L) = 1.00332 - Viscosity (mPa s) = 0.91725 + Viscosity (mPa s) = 0.91742 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.883e-01 Mass of water (kg) = 9.993e-01 @@ -8469,7 +8444,6 @@ Na 9.545e-03 Na+ 7.808e-03 5.862e-03 -2.107 -2.232 -0.124 -0.95 NaSO4- 1.722e-03 1.294e-03 -2.764 -2.888 -0.124 -1.34 NaHCO3 1.587e-05 1.731e-05 -4.799 -4.762 0.038 31.73 - NaOH 6.086e-20 6.356e-20 -19.216 -19.197 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.514 -62.495 0.019 30.40 S(-2) 8.335e-23 @@ -8526,7 +8500,7 @@ Zn 6.211e-06 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 AlOHSO4 -2.93 -5.13 -2.20 AlOHSO4 Alunite 5.06 3.66 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 @@ -8585,7 +8559,7 @@ Using pure phase assemblage 5. Pure-phase assemblage after simulation 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Al(OH)3(a) 0.00 10.80 10.80 4.053e-05 4.029e-05 -2.401e-07 +Al(OH)3(a) -0.00 10.80 10.80 4.053e-05 4.029e-05 -2.401e-07 AlOHSO4 -2.82 -5.02 -2.20 0.000e+00 0 0.000e+00 Calcite 0.00 -8.48 -8.48 6.129e-02 6.147e-02 1.736e-04 Fe(OH)3 0.00 4.89 4.89 8.182e-01 8.179e-01 -3.019e-04 @@ -8639,10 +8613,10 @@ Surf pH = 6.971 Charge balance pe = -0.958 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 10552 + Specific Conductance (µS/cm, 25°C) = 10551 Density (g/cm³) = 1.00883 Volume (L) = 1.00332 - Viscosity (mPa s) = 0.91754 + Viscosity (mPa s) = 0.91777 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.867e-01 Mass of water (kg) = 9.993e-01 @@ -8798,7 +8772,6 @@ Na 9.545e-03 Na+ 7.835e-03 5.886e-03 -2.106 -2.230 -0.124 -0.95 NaSO4- 1.692e-03 1.272e-03 -2.772 -2.895 -0.124 -1.39 NaHCO3 1.792e-05 1.953e-05 -4.747 -4.709 0.037 31.73 - NaOH 5.327e-20 5.561e-20 -19.273 -19.255 0.019 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.049 -62.030 0.019 30.40 S(-2) 1.158e-23 @@ -8855,7 +8828,7 @@ Zn 3.285e-07 Phase SI** log IAP log K(298 K, 1 atm) - Al(OH)3(a) 0.00 10.80 10.80 Al(OH)3 + Al(OH)3(a) -0.00 10.80 10.80 Al(OH)3 AlOHSO4 -2.82 -5.02 -2.20 AlOHSO4 Alunite 5.23 3.83 -1.40 KAl3(SO4)2(OH)6 Anhydrite -0.30 -4.58 -4.28 CaSO4 diff --git a/mytest/transport_101.sel b/mytest/transport_101.sel index 97e98ebf3..bfc4cd723 100644 --- a/mytest/transport_101.sel +++ b/mytest/transport_101.sel @@ -1,128 +1,128 @@ Mu SC - 0.208365983949 11289.9870122895 - 0.006051493731 441.9088238081 - 0.122609889369 8160.2831091874 - 0.004964530950 381.7628078456 - 0.004964530950 381.7628078456 - 0.004964530950 381.7628078456 - 0.004964530950 381.7628078456 - 0.141398205405 8268.3307020697 - 0.115414944891 8417.4223647417 - 0.004964530950 381.7628078457 - 0.004964530950 381.7628078457 - 0.004964530950 381.7628078457 - 0.182997368793 10067.4678063782 - 0.118998515699 7463.2071215278 - 0.116866353122 8826.0918116869 - 0.004964530950 381.7628078457 - 0.004964530950 381.7628078457 - 0.214266683651 12023.5807586120 - 0.128450266997 7502.0722829874 - 0.108979472792 7418.8272919109 - 0.118575177724 9014.7808760260 - 0.004964530950 381.7628078457 - 0.208172442729 11622.0671807844 - 0.166650194214 9670.6449151305 - 0.119865373234 7248.3754080143 - 0.104344223853 7659.6990600165 - 0.119063432841 9050.5438959003 - 0.191231680735 10543.0344246590 - 0.188773190109 10595.8911318408 - 0.126309954200 7685.8043481912 - 0.111881068377 7145.1968851420 - 0.106775369268 8108.3413803919 - 0.189180507006 10457.8984551457 - 0.182185569405 10006.6302763821 - 0.130163384142 7750.4237712548 - 0.118978142420 7374.7976289226 - 0.103270751418 7115.1658797034 - 0.188827547114 10444.7589529572 - 0.182571769868 10072.1319850457 - 0.175024830939 9450.2515211115 - 0.122765541879 7420.0653119169 - 0.113362127471 7229.7578146535 - 0.188756214189 10441.5305119772 - 0.183111930092 10132.7317509827 - 0.179620537731 9812.9494239064 - 0.125654101577 7093.2222931594 - 0.116686896045 7161.7462301389 - 0.188737885943 10440.0204578508 - 0.183494293477 10171.7088466166 - 0.180865728434 9954.7595554454 - 0.137044598447 7714.8325958058 - 0.119917430804 6868.7054884727 - 0.188730657052 10438.8231356625 - 0.183735276864 10194.8789988158 - 0.181642193668 10032.8249954072 - 0.177964990929 9581.0918728982 - 0.121777275907 6976.2607074936 - 0.191713714067 10710.8177125650 - 0.183884348942 10208.2632330744 - 0.182171579335 10082.9811420935 - 0.179851725978 9848.6186893211 - 0.126558652458 7112.4722703432 - 0.195983946821 11068.9397924944 - 0.186524247558 10471.9136245942 - 0.182548870391 10117.6004019486 - 0.180908957306 9964.3766549404 - 0.152188678281 8415.1176577127 - 0.197302315590 11081.2722181060 - 0.189650488038 10770.6102999296 - 0.185359575296 10400.1194347415 - 0.181543765300 10027.6202878954 - 0.178438097097 9652.8307479547 - 0.199430334226 11099.0692352157 - 0.188361702381 10636.5495967354 - 0.188916136339 10744.6036334067 - 0.184484139829 10325.8556671450 - 0.180085424977 9873.1432728552 - 0.201235194953 11115.5998709551 - 0.191268774606 10740.8963261847 - 0.188450284586 10702.0916725763 - 0.188343656686 10699.8822072948 - 0.183365535931 10220.7917707173 - 0.202199030025 11125.1467034436 - 0.197707486567 11001.2575977124 - 0.188128899664 10670.4116723070 - 0.188507146131 10713.8252859439 - 0.187467475572 10623.4487258272 - 0.202591618310 11129.2589218393 - 0.201125023125 11062.4624185985 - 0.187933663434 10641.2612729975 - 0.188529575589 10715.6437574001 - 0.188044328521 10674.9885973511 - 0.202723591568 11130.7540880236 - 0.203042670268 11110.1438337014 - 0.187714661479 10578.5533068617 - 0.188397001162 10704.8701195485 - 0.188425026308 10708.6372779485 - 0.202759045827 11131.2409935140 - 0.203869254802 11151.6298153836 - 0.188193555806 10538.6289965503 - 0.187893283426 10661.5699440503 - 0.188599613289 10724.3316041924 - 0.202777186159 11131.4934601541 - 0.204087454503 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0.188397001168 10704.7711768898 + 0.188425026312 10708.5278692001 + 0.202759045826 11131.2369859417 + 0.203869254793 11151.6287390140 + 0.188193555806 10538.3663487352 + 0.187893283436 10661.4202494006 + 0.188599613293 10724.2295487211 + 0.202777186157 11131.4894207731 + 0.204087454498 11194.5805397138 + 0.189343354626 10551.0679300130 + 0.187122476080 10587.0437590558 + 0.188509476282 10718.0128924085 + 0.202841236552 11132.0545963084 + 0.203800846177 11242.9546732772 + 0.190778630078 10612.6919330770 + 0.186545340572 10517.2467457095 + 0.188090628762 10683.1754511435 + 0.203059542035 11133.7011247906 + 0.202746202404 11299.2677648758 + 0.192280626850 10719.8750988222 + 0.186480962944 10486.1565868854 + 0.187447852524 10625.5253625905 + 0.203612904275 11137.3670330603 + 0.195680753343 10922.3311670878 + 0.197787544891 11108.0475849139 + 0.186953814905 10507.3761976097 + 0.186901041022 10571.9082273904 + 0.204523785223 11142.4807546035 + 0.190494392541 10564.6502316663 + 0.196161104455 10928.4388974409 + 0.188325013300 10629.9204590341 + 0.186743897792 10551.8329918805 diff --git a/mytest/uphill_NP.out b/mytest/uphill_NP.out index 3eabfdb6d..b80371a59 100644 --- a/mytest/uphill_NP.out +++ b/mytest/uphill_NP.out @@ -95,7 +95,6 @@ N(5) 1.000e-06 NO3- 1.000e-06 9.884e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.078 -46.078 0.000 30.40 @@ -158,7 +157,6 @@ N(5) 1.000e-04 NO3- 1.000e-04 9.838e-05 -4.000 -4.007 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.012e-24 1.012e-24 -23.995 -23.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.052 -54.052 0.000 30.40 @@ -241,7 +239,6 @@ N(5) 1.000e-04 NO3- 1.000e-04 9.838e-05 -4.000 -4.007 -0.007 29.47 Na 1.140e-04 Na+ 1.140e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.342e-24 1.342e-24 -23.872 -23.872 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.789 -53.789 0.000 30.40 @@ -326,7 +323,6 @@ N(5) 9.988e-05 NO3- 9.988e-05 9.826e-05 -4.001 -4.008 -0.007 29.47 Na 1.140e-04 Na+ 1.140e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.344e-24 1.344e-24 -23.872 -23.872 0.000 (0) O(0) 3.000e-07 O2 1.500e-07 1.500e-07 -6.824 -6.824 0.000 30.40 @@ -415,7 +411,6 @@ O2 0.00e+00 0.00e+00 N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -471,7 +466,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -504,7 +498,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -560,7 +553,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -593,7 +585,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -649,7 +640,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -683,7 +673,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -747,7 +736,6 @@ N(5) 9.988e-05 NO3- 9.988e-05 9.826e-05 -4.001 -4.008 -0.007 29.47 Na 1.140e-04 Na+ 1.140e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.344e-24 1.344e-24 -23.872 -23.872 0.000 (0) O(0) 3.000e-07 O2 1.500e-07 1.500e-07 -6.824 -6.824 0.000 30.40 @@ -780,7 +768,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -836,7 +823,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -869,7 +855,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -925,7 +910,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -958,7 +942,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1014,7 +997,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -1047,7 +1029,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1103,7 +1084,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -1136,7 +1116,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1192,7 +1171,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -1225,7 +1203,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1281,7 +1258,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -1314,7 +1290,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1370,7 +1345,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -1425,7 +1399,6 @@ O2 0.00e+00 0.00e+00 N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1481,7 +1454,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -1520,7 +1492,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1576,7 +1547,6 @@ N(5) 2.145e-05 NO3- 2.145e-05 2.117e-05 -4.669 -4.674 -0.006 29.47 Na 1.026e-04 Na+ 1.026e-04 1.013e-04 -3.989 -3.995 -0.006 -1.51 - NaOH 5.499e-24 5.500e-24 -23.260 -23.260 0.000 (0) O(0) 5.262e-08 O2 2.631e-08 2.631e-08 -7.580 -7.580 0.000 30.40 @@ -1615,7 +1585,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1671,7 +1640,6 @@ N(5) 5.725e-05 NO3- 5.725e-05 5.642e-05 -4.242 -4.249 -0.006 29.47 Na 1.080e-04 Na+ 1.080e-04 1.065e-04 -3.966 -3.973 -0.006 -1.51 - NaOH 2.220e-24 2.221e-24 -23.654 -23.654 0.000 (0) O(0) 1.592e-07 O2 7.958e-08 7.958e-08 -7.099 -7.099 0.000 30.40 @@ -1711,7 +1679,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1775,7 +1742,6 @@ N(5) 8.125e-05 NO3- 8.125e-05 7.999e-05 -4.090 -4.097 -0.007 29.47 Na 1.140e-04 Na+ 1.140e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.713e-24 1.713e-24 -23.766 -23.766 0.000 (0) O(0) 2.322e-07 O2 1.161e-07 1.161e-07 -6.935 -6.935 0.000 30.40 @@ -1814,7 +1780,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1870,7 +1835,6 @@ N(5) 9.350e-05 NO3- 9.350e-05 9.201e-05 -4.029 -4.036 -0.007 29.47 Na 1.086e-04 Na+ 1.086e-04 1.068e-04 -3.964 -3.971 -0.007 -1.50 - NaOH 1.293e-24 1.293e-24 -23.888 -23.888 0.000 (0) O(0) 2.872e-07 O2 1.436e-07 1.436e-07 -6.843 -6.843 0.000 30.40 @@ -1909,7 +1873,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -1965,7 +1928,6 @@ N(5) 9.822e-05 NO3- 9.822e-05 9.663e-05 -4.008 -4.015 -0.007 29.47 Na 1.043e-04 Na+ 1.043e-04 1.027e-04 -3.982 -3.989 -0.007 -1.50 - NaOH 1.125e-24 1.125e-24 -23.949 -23.949 0.000 (0) O(0) 3.127e-07 O2 1.563e-07 1.564e-07 -6.806 -6.806 0.000 30.40 @@ -2004,7 +1966,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2060,7 +2021,6 @@ N(5) 9.956e-05 NO3- 9.956e-05 9.794e-05 -4.002 -4.009 -0.007 29.47 Na 1.018e-04 Na+ 1.018e-04 1.001e-04 -3.992 -3.999 -0.007 -1.50 - NaOH 1.053e-24 1.053e-24 -23.978 -23.978 0.000 (0) O(0) 3.225e-07 O2 1.613e-07 1.613e-07 -6.792 -6.792 0.000 30.40 @@ -2099,7 +2059,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2155,7 +2114,6 @@ N(5) 9.983e-05 NO3- 9.983e-05 9.821e-05 -4.001 -4.008 -0.007 29.47 Na 1.006e-04 Na+ 1.006e-04 9.895e-05 -3.998 -4.005 -0.007 -1.50 - NaOH 1.025e-24 1.025e-24 -23.989 -23.989 0.000 (0) O(0) 3.258e-07 O2 1.629e-07 1.629e-07 -6.788 -6.788 0.000 30.40 @@ -2194,7 +2152,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2250,7 +2207,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.824e-05 -4.001 -4.008 -0.007 29.47 Na 1.001e-04 Na+ 1.001e-04 9.853e-05 -3.999 -4.006 -0.007 -1.50 - NaOH 1.016e-24 1.016e-24 -23.993 -23.993 0.000 (0) O(0) 3.268e-07 O2 1.634e-07 1.634e-07 -6.787 -6.787 0.000 30.40 @@ -2289,7 +2245,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2345,7 +2300,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.841e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.014e-24 1.014e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2384,7 +2338,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2440,7 +2393,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2491,7 +2443,6 @@ O2 0.00e+00 0.00e+00 N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2547,7 +2498,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -2586,7 +2536,6 @@ N2 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2642,7 +2591,6 @@ N(5) 1.551e-05 NO3- 1.551e-05 1.531e-05 -4.809 -4.815 -0.005 29.47 Na 1.028e-04 Na+ 1.028e-04 1.015e-04 -3.988 -3.994 -0.005 -1.51 - NaOH 8.166e-24 8.166e-24 -23.088 -23.088 0.000 (0) O(0) 3.493e-08 O2 1.746e-08 1.746e-08 -7.758 -7.758 0.000 30.40 @@ -2681,7 +2629,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2737,7 +2684,6 @@ N(5) 4.263e-05 NO3- 4.263e-05 4.205e-05 -4.370 -4.376 -0.006 29.47 Na 1.083e-04 Na+ 1.083e-04 1.068e-04 -3.965 -3.971 -0.006 -1.51 - NaOH 3.195e-24 3.195e-24 -23.496 -23.496 0.000 (0) O(0) 1.095e-07 O2 5.475e-08 5.475e-08 -7.262 -7.262 0.000 30.40 @@ -2777,7 +2723,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2841,7 +2786,6 @@ N(5) 6.480e-05 NO3- 6.480e-05 6.385e-05 -4.188 -4.195 -0.006 29.47 Na 1.139e-04 Na+ 1.139e-04 1.122e-04 -3.944 -3.950 -0.006 -1.50 - NaOH 2.262e-24 2.263e-24 -23.645 -23.645 0.000 (0) O(0) 1.741e-07 O2 8.706e-08 8.707e-08 -7.060 -7.060 0.000 30.40 @@ -2880,7 +2824,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -2936,7 +2879,6 @@ N(5) 8.063e-05 NO3- 8.063e-05 7.938e-05 -4.094 -4.100 -0.007 29.47 Na 1.100e-04 Na+ 1.100e-04 1.083e-04 -3.959 -3.965 -0.007 -1.50 - NaOH 1.575e-24 1.575e-24 -23.803 -23.803 0.000 (0) O(0) 2.377e-07 O2 1.188e-07 1.189e-07 -6.925 -6.925 0.000 30.40 @@ -2975,7 +2917,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3031,7 +2972,6 @@ N(5) 9.048e-05 NO3- 9.048e-05 8.905e-05 -4.043 -4.050 -0.007 29.47 Na 1.065e-04 Na+ 1.065e-04 1.048e-04 -3.973 -3.979 -0.007 -1.50 - NaOH 1.283e-24 1.284e-24 -23.892 -23.892 0.000 (0) O(0) 2.801e-07 O2 1.400e-07 1.400e-07 -6.854 -6.854 0.000 30.40 @@ -3070,7 +3010,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3126,7 +3065,6 @@ N(5) 9.582e-05 NO3- 9.582e-05 9.428e-05 -4.019 -4.026 -0.007 29.47 Na 1.038e-04 Na+ 1.038e-04 1.022e-04 -3.984 -3.991 -0.007 -1.50 - NaOH 1.142e-24 1.142e-24 -23.942 -23.942 0.000 (0) O(0) 3.048e-07 O2 1.524e-07 1.524e-07 -6.817 -6.817 0.000 30.40 @@ -3165,7 +3103,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3221,7 +3158,6 @@ N(5) 9.834e-05 NO3- 9.834e-05 9.675e-05 -4.007 -4.014 -0.007 29.47 Na 1.020e-04 Na+ 1.020e-04 1.004e-04 -3.991 -3.998 -0.007 -1.50 - NaOH 1.072e-24 1.072e-24 -23.970 -23.970 0.000 (0) O(0) 3.175e-07 O2 1.588e-07 1.588e-07 -6.799 -6.799 0.000 30.40 @@ -3260,7 +3196,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3316,7 +3251,6 @@ N(5) 9.937e-05 NO3- 9.937e-05 9.775e-05 -4.003 -4.010 -0.007 29.47 Na 1.010e-04 Na+ 1.010e-04 9.933e-05 -3.996 -4.003 -0.007 -1.50 - NaOH 1.038e-24 1.038e-24 -23.984 -23.984 0.000 (0) O(0) 3.234e-07 O2 1.617e-07 1.617e-07 -6.791 -6.791 0.000 30.40 @@ -3355,7 +3289,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3411,7 +3344,6 @@ N(5) 9.973e-05 NO3- 9.973e-05 9.811e-05 -4.001 -4.008 -0.007 29.47 Na 1.004e-04 Na+ 1.004e-04 9.879e-05 -3.998 -4.005 -0.007 -1.50 - NaOH 1.023e-24 1.023e-24 -23.990 -23.990 0.000 (0) O(0) 3.257e-07 O2 1.629e-07 1.629e-07 -6.788 -6.788 0.000 30.40 @@ -3450,7 +3382,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3506,7 +3437,6 @@ N(5) 9.983e-05 NO3- 9.983e-05 9.821e-05 -4.001 -4.008 -0.007 29.47 Na 1.002e-04 Na+ 1.002e-04 9.857e-05 -3.999 -4.006 -0.007 -1.50 - NaOH 1.017e-24 1.017e-24 -23.992 -23.992 0.000 (0) O(0) 3.265e-07 O2 1.633e-07 1.633e-07 -6.787 -6.787 0.000 30.40 @@ -3557,7 +3487,6 @@ Cl- 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 O2 0.00e+00 0.00e+00 -----------------------------Solution composition------------------------------ @@ -3604,7 +3533,6 @@ N(5) 1.000e-04 NO3- 1.000e-04 9.838e-05 -4.000 -4.007 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.012e-24 1.012e-24 -23.995 -23.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.052 -54.052 0.000 30.40 @@ -3651,7 +3579,6 @@ H+ 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 O2 0.00e+00 0.00e+00 -----------------------------Solution composition------------------------------ @@ -3698,7 +3625,6 @@ N(5) 1.000e-04 NO3- 1.000e-04 9.838e-05 -4.000 -4.007 -0.007 29.47 Na 1.140e-04 Na+ 1.140e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.342e-24 1.342e-24 -23.872 -23.872 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.789 -53.789 0.000 30.40 @@ -3772,7 +3698,6 @@ O2 0.00e+00 0.00e+00 N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3828,7 +3753,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -3861,7 +3785,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -3917,7 +3840,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -3950,7 +3872,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4006,7 +3927,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4040,7 +3960,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4104,7 +4023,6 @@ N(5) 9.988e-05 NO3- 9.988e-05 9.826e-05 -4.001 -4.008 -0.007 29.47 Na 1.140e-04 Na+ 1.140e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.344e-24 1.344e-24 -23.872 -23.872 0.000 (0) O(0) 3.000e-07 O2 1.500e-07 1.500e-07 -6.824 -6.824 0.000 30.40 @@ -4137,7 +4055,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4193,7 +4110,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4226,7 +4142,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4282,7 +4197,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4315,7 +4229,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4371,7 +4284,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4404,7 +4316,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4460,7 +4371,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4493,7 +4403,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4549,7 +4458,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4582,7 +4490,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4638,7 +4545,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4671,7 +4577,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4727,7 +4632,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -4766,7 +4670,6 @@ O2 -3.64e-09 -3.64e-09 N2 -1.34e-09 -1.34e-09 HCl -2.06e-11 -2.06e-11 NO2- -6.59e-17 -5.67e-17 -NaOH 4.32e-24 4.32e-24 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4822,7 +4725,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -4861,7 +4763,6 @@ N2 -1.16e-09 -1.16e-09 OH- 3.55e-11 5.29e-11 HCl -2.36e-11 -2.36e-11 NO2- -1.68e-17 -4.59e-18 -NaOH 1.09e-25 1.09e-25 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -4917,7 +4818,6 @@ N(5) 3.996e-05 NO3- 3.996e-05 3.944e-05 -4.398 -4.404 -0.006 29.47 Na 1.120e-04 Na+ 1.120e-04 1.106e-04 -3.951 -3.956 -0.006 -1.51 - NaOH 7.226e-24 7.226e-24 -23.141 -23.141 0.000 (0) O(0) 6.580e-08 O2 3.290e-08 3.290e-08 -7.483 -7.483 0.000 30.40 @@ -4956,7 +4856,6 @@ N2 -6.72e-10 -6.72e-10 HCl -2.23e-11 -2.23e-11 OH- 4.66e-12 8.19e-12 NO2- -6.92e-18 -3.77e-19 -NaOH 1.76e-26 1.76e-26 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5012,7 +4911,6 @@ N(5) 7.801e-05 NO3- 7.801e-05 7.686e-05 -4.108 -4.114 -0.006 29.47 Na 1.154e-04 Na+ 1.154e-04 1.137e-04 -3.938 -3.944 -0.006 -1.50 - NaOH 2.359e-24 2.359e-24 -23.627 -23.627 0.000 (0) O(0) 1.878e-07 O2 9.391e-08 9.391e-08 -7.027 -7.027 0.000 30.40 @@ -5052,7 +4950,6 @@ N2 -2.75e-10 -2.75e-10 HCl -1.17e-11 -1.17e-11 OH- 1.27e-12 2.52e-12 NO2- -2.09e-18 1.02e-18 UPHILL -NaOH 7.50e-27 7.50e-27 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5116,7 +5013,6 @@ N(5) 9.416e-05 NO3- 9.416e-05 9.267e-05 -4.026 -4.033 -0.007 29.47 Na 1.140e-04 Na+ 1.140e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.529e-24 1.529e-24 -23.816 -23.816 0.000 (0) O(0) 2.681e-07 O2 1.341e-07 1.341e-07 -6.873 -6.873 0.000 30.40 @@ -5155,7 +5051,6 @@ N2 -1.14e-10 -1.14e-10 HCl -5.22e-12 -5.22e-12 OH- 4.15e-13 8.67e-13 NO2- -8.10e-19 4.29e-19 UPHILL -NaOH 2.66e-27 2.66e-27 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5211,7 +5106,6 @@ N(5) 9.772e-05 NO3- 9.772e-05 9.615e-05 -4.010 -4.017 -0.007 29.47 Na 1.057e-04 Na+ 1.057e-04 1.040e-04 -3.976 -3.983 -0.007 -1.50 - NaOH 1.190e-24 1.190e-24 -23.925 -23.925 0.000 (0) O(0) 3.037e-07 O2 1.519e-07 1.519e-07 -6.819 -6.819 0.000 30.40 @@ -5250,7 +5144,6 @@ N2 -4.43e-11 -4.43e-11 HCl -2.12e-12 -2.12e-12 OH- 1.40e-13 2.92e-13 NO2- -3.37e-19 9.57e-20 UPHILL -NaOH 7.93e-28 7.93e-28 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5306,7 +5199,6 @@ N(5) 9.889e-05 NO3- 9.889e-05 9.729e-05 -4.005 -4.012 -0.007 29.47 Na 1.015e-04 Na+ 1.015e-04 9.987e-05 -3.994 -4.001 -0.007 -1.50 - NaOH 1.066e-24 1.066e-24 -23.972 -23.972 0.000 (0) O(0) 3.184e-07 O2 1.592e-07 1.592e-07 -6.798 -6.798 0.000 30.40 @@ -5345,7 +5237,6 @@ N2 -1.45e-11 -1.45e-11 HCl -7.23e-13 -7.23e-13 OH- 4.35e-14 9.00e-14 NO2- -1.17e-19 1.74e-20 UPHILL -NaOH 2.19e-28 2.19e-28 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5401,7 +5292,6 @@ N(5) 9.951e-05 NO3- 9.951e-05 9.790e-05 -4.002 -4.009 -0.007 29.47 Na 1.003e-04 Na+ 1.003e-04 9.872e-05 -3.999 -4.006 -0.007 -1.50 - NaOH 1.028e-24 1.028e-24 -23.988 -23.988 0.000 (0) O(0) 3.243e-07 O2 1.621e-07 1.621e-07 -6.790 -6.790 0.000 30.40 @@ -5440,7 +5330,6 @@ N2 -3.82e-12 -3.82e-12 HCl -1.97e-13 -1.97e-13 OH- 1.14e-14 2.35e-14 NO2- -3.18e-20 3.27e-21 UPHILL -NaOH 5.42e-29 5.42e-29 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5496,7 +5385,6 @@ N(5) 9.977e-05 NO3- 9.977e-05 9.815e-05 -4.001 -4.008 -0.007 29.47 Na 1.001e-04 Na+ 1.001e-04 9.846e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.017e-24 1.017e-24 -23.993 -23.993 0.000 (0) O(0) 3.263e-07 O2 1.631e-07 1.632e-07 -6.787 -6.787 0.000 30.40 @@ -5535,7 +5423,6 @@ N2 -7.98e-13 -7.98e-13 HCl -4.18e-14 -4.18e-14 OH- 2.40e-15 4.93e-15 NO2- -6.72e-21 6.11e-22 UPHILL -NaOH 1.11e-29 1.11e-29 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5591,7 +5478,6 @@ N(5) 9.985e-05 NO3- 9.985e-05 9.823e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.840e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.014e-24 1.014e-24 -23.994 -23.994 0.000 (0) O(0) 3.269e-07 O2 1.634e-07 1.634e-07 -6.787 -6.787 0.000 30.40 @@ -5630,7 +5516,6 @@ N2 -1.29e-13 -1.29e-13 HCl -6.79e-15 -6.79e-15 OH- 3.88e-16 7.97e-16 NO2- -1.09e-21 9.68e-23 UPHILL -NaOH 1.79e-30 1.79e-30 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5686,7 +5571,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.824e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -5725,7 +5609,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5781,7 +5664,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -5816,7 +5698,6 @@ O2 -2.41e-09 -2.41e-09 N2 -8.63e-10 -8.63e-10 HCl -1.46e-11 -1.46e-11 NO2- -5.30e-17 -4.71e-17 -NaOH 4.19e-24 4.19e-24 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5872,7 +5753,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -5911,7 +5791,6 @@ N2 -9.11e-10 -9.11e-10 OH- 5.54e-11 7.56e-11 HCl -1.58e-11 -1.58e-11 NO2- -1.75e-17 -8.44e-18 -NaOH 1.47e-25 1.47e-25 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -5967,7 +5846,6 @@ N(5) 2.853e-05 NO3- 2.853e-05 2.817e-05 -4.545 -4.550 -0.006 29.47 Na 1.090e-04 Na+ 1.090e-04 1.076e-04 -3.963 -3.968 -0.006 -1.51 - NaOH 9.832e-24 9.832e-24 -23.007 -23.007 0.000 (0) O(0) 4.512e-08 O2 2.256e-08 2.256e-08 -7.647 -7.647 0.000 30.40 @@ -6006,7 +5884,6 @@ N2 -7.15e-10 -7.15e-10 HCl -1.77e-11 -1.77e-11 OH- 8.85e-12 1.45e-11 NO2- -8.33e-18 -9.00e-19 -NaOH 3.23e-26 3.23e-26 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6062,7 +5939,6 @@ N(5) 6.520e-05 NO3- 6.520e-05 6.428e-05 -4.186 -4.192 -0.006 29.47 Na 1.168e-04 Na+ 1.168e-04 1.151e-04 -3.933 -3.939 -0.006 -1.51 - NaOH 3.372e-24 3.372e-24 -23.472 -23.472 0.000 (0) O(0) 1.389e-07 O2 6.943e-08 6.944e-08 -7.158 -7.158 0.000 30.40 @@ -6102,7 +5978,6 @@ N2 -4.34e-10 -4.34e-10 HCl -1.49e-11 -1.49e-11 OH- 2.64e-12 4.84e-12 NO2- -4.13e-18 3.18e-19 UPHILL -NaOH 1.17e-26 1.17e-26 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6166,7 +6041,6 @@ N(5) 8.377e-05 NO3- 8.377e-05 8.250e-05 -4.077 -4.084 -0.007 29.47 Na 1.139e-04 Na+ 1.139e-04 1.122e-04 -3.943 -3.950 -0.007 -1.50 - NaOH 1.947e-24 1.947e-24 -23.711 -23.711 0.000 (0) O(0) 2.172e-07 O2 1.086e-07 1.086e-07 -6.964 -6.964 0.000 30.40 @@ -6205,7 +6079,6 @@ N2 -2.44e-10 -2.44e-10 HCl -1.02e-11 -1.02e-11 OH- 1.06e-12 2.09e-12 NO2- -2.04e-18 4.93e-19 UPHILL -NaOH 5.50e-27 5.50e-27 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6261,7 +6134,6 @@ N(5) 9.254e-05 NO3- 9.254e-05 9.109e-05 -4.034 -4.041 -0.007 29.47 Na 1.091e-04 Na+ 1.091e-04 1.074e-04 -3.962 -3.969 -0.007 -1.50 - NaOH 1.432e-24 1.432e-24 -23.844 -23.844 0.000 (0) O(0) 2.686e-07 O2 1.343e-07 1.343e-07 -6.872 -6.872 0.000 30.40 @@ -6300,7 +6172,6 @@ N2 -1.25e-10 -1.25e-10 HCl -5.78e-12 -5.78e-12 OH- 4.43e-13 9.03e-13 NO2- -1.01e-18 2.35e-19 UPHILL -NaOH 2.35e-27 2.35e-27 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6356,7 +6227,6 @@ N(5) 9.637e-05 NO3- 9.637e-05 9.484e-05 -4.016 -4.023 -0.007 29.47 Na 1.041e-04 Na+ 1.041e-04 1.025e-04 -3.982 -3.989 -0.007 -1.50 - NaOH 1.187e-24 1.187e-24 -23.926 -23.926 0.000 (0) O(0) 2.988e-07 O2 1.494e-07 1.494e-07 -6.826 -6.826 0.000 30.40 @@ -6395,7 +6265,6 @@ N2 -5.68e-11 -5.68e-11 HCl -2.77e-12 -2.77e-12 OH- 1.81e-13 3.73e-13 NO2- -4.61e-19 7.88e-20 UPHILL -NaOH 9.23e-28 9.23e-28 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6451,7 +6320,6 @@ N(5) 9.828e-05 NO3- 9.828e-05 9.669e-05 -4.008 -4.015 -0.007 29.47 Na 1.015e-04 Na+ 1.015e-04 9.989e-05 -3.993 -4.000 -0.007 -1.50 - NaOH 1.080e-24 1.080e-24 -23.966 -23.966 0.000 (0) O(0) 3.147e-07 O2 1.574e-07 1.574e-07 -6.803 -6.803 0.000 30.40 @@ -6490,7 +6358,6 @@ N2 -2.30e-11 -2.30e-11 HCl -1.16e-12 -1.16e-12 OH- 7.01e-14 1.44e-13 NO2- -1.89e-19 2.34e-20 UPHILL -NaOH 3.41e-28 3.41e-28 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6546,7 +6413,6 @@ N(5) 9.922e-05 NO3- 9.922e-05 9.761e-05 -4.003 -4.011 -0.007 29.47 Na 1.005e-04 Na+ 1.005e-04 9.889e-05 -3.998 -4.005 -0.007 -1.50 - NaOH 1.038e-24 1.038e-24 -23.984 -23.984 0.000 (0) O(0) 3.222e-07 O2 1.611e-07 1.611e-07 -6.793 -6.793 0.000 30.40 @@ -6585,7 +6451,6 @@ N2 -8.30e-12 -8.30e-12 HCl -4.28e-13 -4.28e-13 OH- 2.50e-14 5.14e-14 NO2- -6.93e-20 6.93e-21 UPHILL -NaOH 1.18e-28 1.18e-28 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6641,7 +6506,6 @@ N(5) 9.963e-05 NO3- 9.963e-05 9.801e-05 -4.002 -4.009 -0.007 29.47 Na 1.002e-04 Na+ 1.002e-04 9.855e-05 -3.999 -4.006 -0.007 -1.50 - NaOH 1.022e-24 1.022e-24 -23.991 -23.991 0.000 (0) O(0) 3.253e-07 O2 1.626e-07 1.627e-07 -6.789 -6.789 0.000 30.40 @@ -6680,7 +6544,6 @@ N2 -2.52e-12 -2.52e-12 HCl -1.32e-13 -1.32e-13 OH- 7.58e-15 1.56e-14 NO2- -2.12e-20 1.93e-21 UPHILL -NaOH 3.52e-29 3.52e-29 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6736,7 +6599,6 @@ N(5) 9.979e-05 NO3- 9.979e-05 9.817e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.844e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.016e-24 1.016e-24 -23.993 -23.993 0.000 (0) O(0) 3.265e-07 O2 1.632e-07 1.632e-07 -6.787 -6.787 0.000 30.40 @@ -6775,7 +6637,6 @@ N2 0.00e+00 0.00e+00 HCl 0.00e+00 0.00e+00 OH- 0.00e+00 0.00e+00 NO2- 0.00e+00 0.00e+00 -NaOH 0.00e+00 0.00e+00 H2 0.00e+00 0.00e+00 NH4+ 0.00e+00 0.00e+00 NH3 0.00e+00 0.00e+00 @@ -6831,7 +6692,6 @@ N(5) 9.984e-05 NO3- 9.984e-05 9.822e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.840e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.014e-24 1.014e-24 -23.994 -23.994 0.000 (0) O(0) 3.268e-07 O2 1.634e-07 1.634e-07 -6.787 -6.787 0.000 30.40 diff --git a/mytest/uphill_NPa.out b/mytest/uphill_NPa.out index 740ab3967..65dcd566f 100644 --- a/mytest/uphill_NPa.out +++ b/mytest/uphill_NPa.out @@ -119,7 +119,6 @@ N(5) 1.000e-06 NO3- 1.000e-06 9.884e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.078 -46.078 0.000 30.40 @@ -181,7 +180,6 @@ N(5) 1.000e-04 NO3- 1.000e-04 9.838e-05 -4.000 -4.007 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.012e-24 1.012e-24 -23.995 -23.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.052 -54.052 0.000 30.40 @@ -258,7 +256,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -329,7 +326,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -400,7 +396,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -471,7 +466,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -542,7 +536,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -613,7 +606,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -684,7 +676,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -755,7 +746,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -826,7 +816,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -897,7 +886,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -968,7 +956,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -1039,7 +1026,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -1116,7 +1102,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -1193,7 +1178,6 @@ N(5) 2.230e-05 NO3- 2.230e-05 2.202e-05 -4.652 -4.657 -0.005 29.47 Na 1.062e-04 Na+ 1.062e-04 1.049e-04 -3.974 -3.979 -0.005 -1.51 - NaOH 1.186e-23 1.186e-23 -22.926 -22.926 0.000 (0) O(0) 3.479e-08 O2 1.740e-08 1.740e-08 -7.760 -7.760 0.000 30.40 @@ -1270,7 +1254,6 @@ N(5) 5.417e-05 NO3- 5.417e-05 5.343e-05 -4.266 -4.272 -0.006 29.47 Na 1.129e-04 Na+ 1.129e-04 1.114e-04 -3.947 -3.953 -0.006 -1.51 - NaOH 4.130e-24 4.130e-24 -23.384 -23.384 0.000 (0) O(0) 1.090e-07 O2 5.451e-08 5.452e-08 -7.263 -7.263 0.000 30.40 @@ -1347,7 +1330,6 @@ N(5) 7.376e-05 NO3- 7.376e-05 7.269e-05 -4.132 -4.139 -0.006 29.47 Na 1.127e-04 Na+ 1.127e-04 1.110e-04 -3.948 -3.955 -0.006 -1.50 - NaOH 2.408e-24 2.408e-24 -23.618 -23.618 0.000 (0) O(0) 1.773e-07 O2 8.863e-08 8.864e-08 -7.052 -7.052 0.000 30.40 @@ -1424,7 +1406,6 @@ N(5) 8.516e-05 NO3- 8.516e-05 8.386e-05 -4.070 -4.076 -0.007 29.47 Na 1.090e-04 Na+ 1.090e-04 1.074e-04 -3.963 -3.969 -0.007 -1.50 - NaOH 1.688e-24 1.688e-24 -23.773 -23.773 0.000 (0) O(0) 2.322e-07 O2 1.161e-07 1.161e-07 -6.935 -6.935 0.000 30.40 @@ -1501,7 +1482,6 @@ N(5) 9.183e-05 NO3- 9.183e-05 9.039e-05 -4.037 -4.044 -0.007 29.47 Na 1.052e-04 Na+ 1.052e-04 1.036e-04 -3.978 -3.985 -0.007 -1.50 - NaOH 1.340e-24 1.341e-24 -23.873 -23.873 0.000 (0) O(0) 2.720e-07 O2 1.360e-07 1.360e-07 -6.867 -6.867 0.000 30.40 @@ -1578,7 +1558,6 @@ N(5) 9.572e-05 NO3- 9.572e-05 9.420e-05 -4.019 -4.026 -0.007 29.47 Na 1.027e-04 Na+ 1.027e-04 1.010e-04 -3.989 -3.996 -0.007 -1.50 - NaOH 1.168e-24 1.168e-24 -23.933 -23.933 0.000 (0) O(0) 2.978e-07 O2 1.489e-07 1.489e-07 -6.827 -6.827 0.000 30.40 @@ -1655,7 +1634,6 @@ N(5) 9.789e-05 NO3- 9.789e-05 9.631e-05 -4.009 -4.016 -0.007 29.47 Na 1.012e-04 Na+ 1.012e-04 9.961e-05 -3.995 -4.002 -0.007 -1.50 - NaOH 1.083e-24 1.083e-24 -23.965 -23.965 0.000 (0) O(0) 3.129e-07 O2 1.564e-07 1.565e-07 -6.806 -6.806 0.000 30.40 @@ -1732,7 +1710,6 @@ N(5) 9.899e-05 NO3- 9.899e-05 9.739e-05 -4.004 -4.011 -0.007 29.47 Na 1.005e-04 Na+ 1.005e-04 9.891e-05 -3.998 -4.005 -0.007 -1.50 - NaOH 1.043e-24 1.043e-24 -23.982 -23.982 0.000 (0) O(0) 3.208e-07 O2 1.604e-07 1.604e-07 -6.795 -6.795 0.000 30.40 @@ -1809,7 +1786,6 @@ N(5) 9.950e-05 NO3- 9.950e-05 9.789e-05 -4.002 -4.009 -0.007 29.47 Na 1.002e-04 Na+ 1.002e-04 9.860e-05 -3.999 -4.006 -0.007 -1.50 - NaOH 1.025e-24 1.026e-24 -23.989 -23.989 0.000 (0) O(0) 3.244e-07 O2 1.622e-07 1.622e-07 -6.790 -6.790 0.000 30.40 @@ -1886,7 +1862,6 @@ N(5) 9.969e-05 NO3- 9.969e-05 9.808e-05 -4.001 -4.008 -0.007 29.47 Na 1.001e-04 Na+ 1.001e-04 9.849e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.019e-24 1.019e-24 -23.992 -23.992 0.000 (0) O(0) 3.258e-07 O2 1.629e-07 1.629e-07 -6.788 -6.788 0.000 30.40 @@ -1957,7 +1932,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2055,7 +2029,6 @@ N(5) 1.000e-06 NO3- 1.000e-06 9.884e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.078 -46.078 0.000 30.40 @@ -2117,7 +2090,6 @@ N(5) 1.000e-04 NO3- 1.000e-04 9.838e-05 -4.000 -4.007 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.012e-24 1.012e-24 -23.995 -23.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.052 -54.052 0.000 30.40 @@ -2179,7 +2151,6 @@ N(5) 1.000e-04 NO3- 1.000e-04 9.838e-05 -4.000 -4.007 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.012e-24 1.012e-24 -23.995 -23.995 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.052 -54.052 0.000 30.40 @@ -2298,7 +2269,6 @@ N(5) 9.993e-07 NO3- 9.993e-07 9.877e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 1.002e-22 1.002e-22 -21.999 -21.999 0.000 (0) O(0) 1.714e-09 O2 8.570e-10 8.570e-10 -9.067 -9.067 0.000 30.40 @@ -2369,7 +2339,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2440,7 +2409,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2511,7 +2479,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2582,7 +2549,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2653,7 +2619,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2724,7 +2689,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2795,7 +2759,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2866,7 +2829,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -2937,7 +2899,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -3008,7 +2969,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -3079,7 +3039,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -3157,7 +3116,6 @@ N(5) 1.001e-06 NO3- 1.001e-06 9.893e-07 -6.000 -6.005 -0.005 29.47 Na 1.000e-04 Na+ 1.000e-04 9.884e-05 -4.000 -4.005 -0.005 -1.51 - NaOH 9.998e-23 9.999e-23 -22.000 -22.000 0.000 (0) O(0) 1.718e-09 O2 8.591e-10 8.591e-10 -9.066 -9.066 0.000 30.40 @@ -3235,7 +3193,6 @@ N(5) 2.465e-05 NO3- 2.465e-05 2.435e-05 -4.608 -4.614 -0.005 29.47 Na 1.069e-04 Na+ 1.069e-04 1.056e-04 -3.971 -3.976 -0.005 -1.51 - NaOH 1.079e-23 1.079e-23 -22.967 -22.967 0.000 (0) O(0) 3.900e-08 O2 1.950e-08 1.950e-08 -7.710 -7.710 0.000 30.40 @@ -3313,7 +3270,6 @@ N(5) 5.842e-05 NO3- 5.842e-05 5.761e-05 -4.233 -4.240 -0.006 29.47 Na 1.133e-04 Na+ 1.133e-04 1.118e-04 -3.946 -3.952 -0.006 -1.51 - NaOH 3.698e-24 3.698e-24 -23.432 -23.432 0.000 (0) O(0) 1.215e-07 O2 6.076e-08 6.076e-08 -7.216 -7.216 0.000 30.40 @@ -3391,7 +3347,6 @@ N(5) 7.767e-05 NO3- 7.767e-05 7.652e-05 -4.110 -4.116 -0.006 29.47 Na 1.118e-04 Na+ 1.118e-04 1.101e-04 -3.952 -3.958 -0.006 -1.50 - NaOH 2.144e-24 2.144e-24 -23.669 -23.669 0.000 (0) O(0) 1.944e-07 O2 9.720e-08 9.721e-08 -7.012 -7.012 0.000 30.40 @@ -3469,7 +3424,6 @@ N(5) 8.821e-05 NO3- 8.821e-05 8.686e-05 -4.054 -4.061 -0.007 29.47 Na 1.074e-04 Na+ 1.074e-04 1.057e-04 -3.969 -3.976 -0.007 -1.50 - NaOH 1.520e-24 1.520e-24 -23.818 -23.818 0.000 (0) O(0) 2.498e-07 O2 1.249e-07 1.249e-07 -6.904 -6.903 0.000 30.40 @@ -3547,7 +3501,6 @@ N(5) 9.406e-05 NO3- 9.406e-05 9.258e-05 -4.027 -4.033 -0.007 29.47 Na 1.037e-04 Na+ 1.037e-04 1.021e-04 -3.984 -3.991 -0.007 -1.50 - NaOH 1.238e-24 1.238e-24 -23.907 -23.907 0.000 (0) O(0) 2.867e-07 O2 1.433e-07 1.433e-07 -6.844 -6.844 0.000 30.40 @@ -3625,7 +3578,6 @@ N(5) 9.720e-05 NO3- 9.720e-05 9.564e-05 -4.012 -4.019 -0.007 29.47 Na 1.017e-04 Na+ 1.017e-04 1.001e-04 -3.993 -4.000 -0.007 -1.50 - NaOH 1.109e-24 1.109e-24 -23.955 -23.955 0.000 (0) O(0) 3.081e-07 O2 1.541e-07 1.541e-07 -6.812 -6.812 0.000 30.40 @@ -3703,7 +3655,6 @@ N(5) 9.873e-05 NO3- 9.873e-05 9.713e-05 -4.006 -4.013 -0.007 29.47 Na 1.007e-04 Na+ 1.007e-04 9.908e-05 -3.997 -4.004 -0.007 -1.50 - NaOH 1.052e-24 1.053e-24 -23.978 -23.978 0.000 (0) O(0) 3.189e-07 O2 1.594e-07 1.594e-07 -6.797 -6.797 0.000 30.40 @@ -3781,7 +3732,6 @@ N(5) 9.932e-05 NO3- 9.932e-05 9.771e-05 -4.003 -4.010 -0.007 29.47 Na 1.003e-04 Na+ 1.003e-04 9.871e-05 -3.999 -4.006 -0.007 -1.50 - NaOH 1.032e-24 1.032e-24 -23.986 -23.986 0.000 (0) O(0) 3.231e-07 O2 1.615e-07 1.615e-07 -6.792 -6.792 0.000 30.40 @@ -3859,7 +3809,6 @@ N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) O(0) 3.270e-07 O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 @@ -3906,8 +3855,8 @@ Mixture 10. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.987e-05 Temperature (°C) = 25.00 - Electrical Potential (Volt) = -0.00 - Electrical balance (eq) = 7.109e-14 + Electrical Potential (Volt) = 0.00 + Electrical balance (eq) = 6.844e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110125e+02 @@ -3918,7 +3867,7 @@ Mixture 10. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.986e-05 9.829e-05 -4.001 -4.008 -0.007 0.00 + H+ 9.987e-05 9.829e-05 -4.001 -4.008 -0.007 0.00 OH- 1.047e-10 1.030e-10 -9.980 -9.987 -0.007 -4.12 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 Cl 1.000e-04 @@ -3927,19 +3876,18 @@ Cl 1.000e-04 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.797 -42.797 0.000 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -51.525 -51.532 -0.007 17.87 + NH4+ 0.000e+00 0.000e+00 -51.526 -51.533 -0.007 17.87 NH3 0.000e+00 0.000e+00 -56.769 -56.769 0.000 24.42 -N(0) 1.312e-07 - N2 6.559e-08 6.559e-08 -7.183 -7.183 0.000 29.29 -N(3) 8.373e-16 - NO2- 8.373e-16 8.237e-16 -15.077 -15.084 -0.007 24.95 +N(0) 1.309e-07 + N2 6.543e-08 6.543e-08 -7.184 -7.184 0.000 29.29 +N(3) 8.369e-16 + NO2- 8.369e-16 8.233e-16 -15.077 -15.084 -0.007 24.95 N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) -O(0) 3.267e-07 - O2 1.633e-07 1.633e-07 -6.787 -6.787 0.000 30.40 +O(0) 3.270e-07 + O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -3949,7 +3897,7 @@ O(0) 3.267e-07 H2O(g) -1.50 -0.00 1.50 H2O Halite -9.58 -8.01 1.57 NaCl N2(g) -4.01 -7.18 -3.18 N2 - NH3(g) -58.56 -56.77 1.80 NH3 + NH3(g) -58.57 -56.77 1.80 NH3 O2(g) -3.89 -6.79 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -3967,7 +3915,7 @@ Using solution 11. Solution after simulation 3. ----------------------------Description of solution---------------------------- - pH = 4.007 Charge balance + pH = 4.008 Charge balance pe = 15.816 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 54 Density (g/cm³) = 0.99705 @@ -3978,7 +3926,7 @@ Using solution 11. Solution after simulation 3. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.987e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.098e-14 + Electrical balance (eq) = 6.833e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 1 Total H = 1.110125e+02 @@ -3989,7 +3937,7 @@ Using solution 11. Solution after simulation 3. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.987e-05 9.829e-05 -4.001 -4.007 -0.007 0.00 + H+ 9.987e-05 9.829e-05 -4.001 -4.008 -0.007 0.00 OH- 1.047e-10 1.030e-10 -9.980 -9.987 -0.007 -4.12 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 Cl 1.000e-04 @@ -3998,19 +3946,18 @@ Cl 1.000e-04 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.797 -42.797 0.000 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -51.527 -51.534 -0.007 17.87 - NH3 0.000e+00 0.000e+00 -56.771 -56.771 0.000 24.42 -N(0) 1.305e-07 - N2 6.523e-08 6.523e-08 -7.186 -7.186 0.000 29.29 -N(3) 8.364e-16 - NO2- 8.364e-16 8.228e-16 -15.078 -15.085 -0.007 24.95 + NH4+ 0.000e+00 0.000e+00 -51.526 -51.533 -0.007 17.87 + NH3 0.000e+00 0.000e+00 -56.770 -56.770 0.000 24.42 +N(0) 1.308e-07 + N2 6.539e-08 6.539e-08 -7.184 -7.184 0.000 29.29 +N(3) 8.368e-16 + NO2- 8.368e-16 8.232e-16 -15.077 -15.084 -0.007 24.95 N(5) 9.987e-05 NO3- 9.987e-05 9.825e-05 -4.001 -4.008 -0.007 29.47 Na 1.000e-04 Na+ 1.000e-04 9.839e-05 -4.000 -4.007 -0.007 -1.50 - NaOH 1.013e-24 1.013e-24 -23.994 -23.994 0.000 (0) -O(0) 3.274e-07 - O2 1.637e-07 1.637e-07 -6.786 -6.786 0.000 30.40 +O(0) 3.271e-07 + O2 1.635e-07 1.635e-07 -6.786 -6.786 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -4019,7 +3966,7 @@ O(0) 3.274e-07 H2(g) -39.70 -42.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -9.58 -8.01 1.57 NaCl - N2(g) -4.01 -7.19 -3.18 N2 + N2(g) -4.01 -7.18 -3.18 N2 NH3(g) -58.57 -56.77 1.80 NH3 O2(g) -3.89 -6.79 -2.89 O2 diff --git a/mytest/uphill_NPa_101.sel b/mytest/uphill_NPa_101.sel index 9760aa814..d6edeef62 100644 --- a/mytest/uphill_NPa_101.sel +++ b/mytest/uphill_NPa_101.sel @@ -50,5 +50,5 @@ 0.000197487496 52.8240088967 0.000198706239 53.4423816347 0.000199865958 54.0241714979 - 0.000199865134 54.0237830365 - 0.000199866786 54.0245620089 + 0.000199865997 54.0241985441 + 0.000199865923 54.0241465922 diff --git a/mytest/user_print.out b/mytest/user_print.out index 52ff9db24..04a53964d 100644 --- a/mytest/user_print.out +++ b/mytest/user_print.out @@ -168,7 +168,7 @@ rxn 2.5000e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.399e-09 + Electrical balance (eq) = -1.428e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+02 @@ -189,9 +189,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.096 -40.071 0.025 28.61 Na 2.500e-01 Na+ 2.500e-01 1.844e-01 -0.602 -0.734 -0.132 -0.87 - NaOH 1.667e-18 1.765e-18 -17.778 -17.753 0.025 (0) -O(0) 1.071e-12 - O2 5.354e-13 5.672e-13 -12.271 -12.246 0.025 30.40 +O(0) 1.073e-12 + O2 5.364e-13 5.682e-13 -12.270 -12.245 0.025 30.40 ------------------------------Saturation indices------------------------------- @@ -252,7 +251,7 @@ rxn 5.0000e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.399e-09 + Electrical balance (eq) = -1.428e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 6 Total H = 1.110124e+02 @@ -273,7 +272,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.179 -40.104 0.075 28.61 Na 7.500e-01 Na+ 7.500e-01 5.397e-01 -0.125 -0.268 -0.143 -0.45 - NaOH 4.164e-18 4.949e-18 -17.380 -17.305 0.075 (0) O(0) 1.076e-12 O2 5.378e-13 6.392e-13 -12.269 -12.194 0.075 30.40 @@ -336,7 +334,7 @@ rxn 7.5000e-01 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.399e-09 + Electrical balance (eq) = -1.428e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 Total H = 1.110124e+02 @@ -357,9 +355,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.303 -40.153 0.150 28.61 Na 1.500e+00 Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 - NaOH 7.150e-18 1.010e-17 -17.146 -16.996 0.150 (0) O(0) 1.076e-12 - O2 5.378e-13 7.596e-13 -12.269 -12.119 0.150 30.40 + O2 5.379e-13 7.598e-13 -12.269 -12.119 0.150 30.40 ------------------------------Saturation indices------------------------------- @@ -420,7 +417,7 @@ rxn 1 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.217e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.135e-09 + Electrical balance (eq) = -1.164e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+02 @@ -441,9 +438,8 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -40.470 -40.220 0.250 28.61 Na 2.500e+00 Na+ 2.500e+00 2.210e+00 0.398 0.344 -0.054 0.32 - NaOH 1.033e-17 1.836e-17 -16.986 -16.736 0.250 (0) O(0) 1.083e-12 - O2 5.414e-13 9.627e-13 -12.267 -12.017 0.250 30.40 + O2 5.415e-13 9.629e-13 -12.266 -12.016 0.250 30.40 ------------------------------Saturation indices------------------------------- diff --git a/mytest/user_print_101.sel b/mytest/user_print_101.sel index 1c1702093..354f176a3 100644 --- a/mytest/user_print_101.sel +++ b/mytest/user_print_101.sel @@ -1,7 +1,7 @@ Mu SC 0.000000100661 0.0546997340 - 0.250000133625 24765.3565651438 - 0.750000144560 66025.8302338051 - 1.500000152266 117089.9161628841 - 2.500000158013 169255.6051109939 + 0.250000133625 24765.3564679868 + 0.750000144583 66025.8297964774 + 1.500000152289 117089.9151689541 + 2.500000158035 169255.6035200313 0.000000100661 0.0546997340 diff --git a/mytest/using_101.sel b/mytest/using_101.sel index ee825aa9b..07691a198 100644 --- a/mytest/using_101.sel +++ b/mytest/using_101.sel @@ -1,4 +1,4 @@ Mu SC 0.000000100661 0.0546997340 0.000000100661 0.0546997340 - 0.000000100645 0.0546913855 + 0.000000100645 0.0546913856 diff --git a/mytest/v_TP_K2SO4.out b/mytest/v_TP_K2SO4.out index cbe26db0d..02e457ec9 100644 --- a/mytest/v_TP_K2SO4.out +++ b/mytest/v_TP_K2SO4.out @@ -766,10 +766,10 @@ Reaction 1. pH = 6.746 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 199°C) = 60583 + Specific Conductance (µS/cm, 199°C) = 60581 Density (g/cm³) = 0.87561 Volume (L) = 1.15516 - Viscosity (mPa s) = 0.14605 + Viscosity (mPa s) = 0.14606 Activity of water = 0.997 Ionic strength (mol/kgw) = 1.974e-01 Mass of water (kg) = 1.000e+00 @@ -1407,7 +1407,7 @@ Reaction 1. pH = 6.774 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 163539 + Specific Conductance (µS/cm, 175°C) = 163538 Density (g/cm³) = 0.92003 Volume (L) = 1.12584 Viscosity (mPa s) = 0.16877 @@ -1894,7 +1894,7 @@ Reaction 1. pH = 6.782 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 124°C) = 165708 + Specific Conductance (µS/cm, 124°C) = 165707 Density (g/cm³) = 0.97947 Volume (L) = 1.07522 Viscosity (mPa s) = 0.24824 @@ -1971,7 +1971,7 @@ Reaction 1. pH = 6.778 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 150°C) = 202124 + Specific Conductance (µS/cm, 150°C) = 202123 Density (g/cm³) = 0.95672 Volume (L) = 1.10079 Viscosity (mPa s) = 0.20356 @@ -2048,7 +2048,7 @@ Reaction 1. pH = 6.811 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 175°C) = 238780 + Specific Conductance (µS/cm, 175°C) = 238778 Density (g/cm³) = 0.93254 Volume (L) = 1.12933 Viscosity (mPa s) = 0.17428 @@ -2613,7 +2613,7 @@ Reaction 1. pH = 6.810 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 149°C) = 261750 + Specific Conductance (µS/cm, 149°C) = 261749 Density (g/cm³) = 0.97073 Volume (L) = 1.10322 Viscosity (mPa s) = 0.21213 @@ -2690,7 +2690,7 @@ Reaction 1. pH = 6.837 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 174°C) = 310423 + Specific Conductance (µS/cm, 174°C) = 310421 Density (g/cm³) = 0.94689 Volume (L) = 1.13099 Viscosity (mPa s) = 0.18165 @@ -2767,10 +2767,10 @@ Reaction 1. pH = 6.889 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 198°C) = 351891 + Specific Conductance (µS/cm, 198°C) = 351886 Density (g/cm³) = 0.92153 Volume (L) = 1.16211 - Viscosity (mPa s) = 0.16120 + Viscosity (mPa s) = 0.16121 Activity of water = 0.987 Ionic strength (mol/kgw) = 1.221e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/v_TP_K2SO4_101.sel b/mytest/v_TP_K2SO4_101.sel index 7ca976346..ecadb561a 100644 --- a/mytest/v_TP_K2SO4_101.sel +++ b/mytest/v_TP_K2SO4_101.sel @@ -1,36 +1,36 @@ Mu SC Viscosity - 0.000000100644 0.0547821166 0.8900243335 - 0.197399953734 14144.0178298694 0.9003657288 - 0.197399842056 18668.5506521472 0.6579504471 - 0.197399705810 21607.1224078931 0.5552408225 - 0.197398908247 29325.4855067161 0.3841993042 - 0.197396584215 37707.6957699803 0.2785078786 - 0.197392902022 43829.6240240319 0.2274977812 - 0.197385361591 50468.3655612213 0.1872384822 - 0.197373876454 56293.9607204584 0.1610088287 - 0.197355811602 60583.6547488651 0.1460535655 - 0.616499871796 38284.8844047929 0.9178330673 - 0.616499701285 48430.7721459951 0.6993091972 - 0.616499437858 57262.6587133399 0.5729909896 - 0.616498130916 77337.0752935011 0.3962288383 - 0.616496420745 90317.0652834630 0.3265801024 - 0.616489816126 115855.6816229841 0.2420702807 - 0.616477263366 141723.7995222612 0.1945955408 - 0.616460631204 163539.3644963316 0.1687654391 - 0.914999839183 54410.1534110037 0.9306207518 - 0.914999618574 69446.1049412180 0.7002559333 - 0.914999329995 80724.1833222656 0.5847846500 - 0.914997888739 107888.6018073391 0.4098195273 - 0.914995799257 127661.1199819177 0.3337697831 - 0.914988161542 165708.0424686001 0.2482388791 - 0.914975375996 202124.3544448485 0.2035561725 - 0.914955117142 238780.3400045049 0.1742819895 - 1.220999812643 70554.6448499056 0.9443643724 - 1.220999571892 89306.8438523877 0.7170451151 - 1.220999235937 104333.6331223050 0.5950609205 - 1.220997662133 138654.1194705863 0.4205888750 - 1.220994131022 174537.1670689138 0.3202401327 - 1.220987334464 213727.9577563731 0.2575943586 - 1.220974013279 261750.0594565460 0.2121325178 - 1.220952635925 310423.3012476949 0.1816465838 - 1.220921910983 351891.5115154235 0.1612048009 + 0.000000100644 0.0547821166 0.8900243330 + 0.197399953734 14144.0177148621 0.9003657417 + 0.197399842056 18668.5503335192 0.6579504666 + 0.197399705810 21607.1218280062 0.5552408481 + 0.197398908247 29325.4831265161 0.3841993565 + 0.197396584215 37707.6864099374 0.2785079917 + 0.197392902022 43829.5999029187 0.2274979816 + 0.197385361591 50468.2985579841 0.1872388693 + 0.197373876454 56293.7799186452 0.1610096102 + 0.197355811602 60581.9208584770 0.1460597219 + 0.616499871796 38284.8837516595 0.9178330964 + 0.616499701285 48430.7705834363 0.6993092386 + 0.616499437858 57262.6556032241 0.5729910462 + 0.616498130916 77337.0627903151 0.3962289522 + 0.616496420745 90317.0374763942 0.3265802777 + 0.616489816126 115855.5719988311 0.2420706602 + 0.616477263366 141723.4500110998 0.1945962887 + 0.616460631204 163538.4990499844 0.1687667628 + 0.914999839183 54410.1522257518 0.9306207898 + 0.914999618574 69446.1019738295 0.7002559889 + 0.914999329995 80724.1777784533 0.5847847241 + 0.914997888739 107888.5806060204 0.4098196725 + 0.914995799257 127661.0702015376 0.3337700123 + 0.914988161542 165707.8450964521 0.2482393686 + 0.914975375996 202123.7843071232 0.2035570636 + 0.914955117142 238778.8526039816 0.1742835785 + 1.220999812643 70554.6430226799 0.9443644184 + 1.220999571892 89306.8393908547 0.7170451819 + 1.220999235937 104333.6245810946 0.5950610107 + 1.220997662133 138654.0876185454 0.4205890501 + 1.220994131022 174537.0654740986 0.3202404578 + 1.220987334464 213727.6704562525 0.2575949308 + 1.220974013279 261749.2485591270 0.2121335334 + 1.220952635925 310421.2492670274 0.1816483328 + 1.220921910983 351886.3110090775 0.1612081229 diff --git a/mytest/v_TP_MgSO4.out b/mytest/v_TP_MgSO4.out index 78c41cf90..4bb39aba9 100644 --- a/mytest/v_TP_MgSO4.out +++ b/mytest/v_TP_MgSO4.out @@ -4752,7 +4752,7 @@ Initial solution 113. pH = 5.432 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 149°C) = 446056 + Specific Conductance (µS/cm, 149°C) = 446055 Density (g/cm³) = 1.12368 Volume (L) = 1.08533 Viscosity (mPa s) = 0.49740 @@ -6245,7 +6245,7 @@ Initial solution 136. Specific Conductance (µS/cm, 97°C) = 189594 Density (g/cm³) = 1.21863 Volume (L) = 1.04688 - Viscosity (mPa s) = 1.10643 + Viscosity (mPa s) = 1.10644 Activity of water = 0.955 Ionic strength (mol/kgw) = 9.164e+00 Mass of water (kg) = 1.000e+00 diff --git a/mytest/v_TP_MgSO4_101.sel b/mytest/v_TP_MgSO4_101.sel index acef25a6c..a60bc9058 100644 --- a/mytest/v_TP_MgSO4_101.sel +++ b/mytest/v_TP_MgSO4_101.sel @@ -1,98 +1,98 @@ Mu SC Viscosity - 0.339999317224 9464.7721747688 0.9681498184 - 0.339998831989 11560.6197450930 0.7806106597 - 0.339997510131 14853.7557219772 0.5918225876 - 0.339992192030 20577.2274551766 0.4067701512 - 0.339981162722 25666.2760772762 0.3126826636 - 0.339999355387 10203.7102058724 0.9660264618 - 0.339998892851 12212.1739545685 0.7808874621 - 0.339997629162 15312.4437662037 0.5937237392 - 0.339992533187 20559.9068144803 0.4095005372 - 0.339981967328 25077.4752666694 0.3155372727 - 0.339954867511 30512.5034424716 0.2445277167 - 0.339905607151 36337.8886446727 0.2005931313 - 0.339827298932 43887.8490147200 0.1705742000 - 0.339999406441 11477.4617418756 0.9629323636 - 0.339998980750 13368.2188648383 0.7821011799 - 0.339997814386 16144.8520089429 0.5978279573 - 0.339993097700 20520.8786047404 0.4149937231 - 0.339983314360 24004.0868220535 0.3211741664 - 0.339958292340 27839.4970097437 0.2499992451 - 0.339913108437 31594.0470079918 0.2058248426 - 0.339842079730 36610.1891710755 0.1754961259 - 1.747997867491 28908.8485836079 1.2642102351 - 1.747996402455 34983.9235422857 1.0126608669 - 1.747992525833 44565.6076686304 0.7617079517 - 1.747977789813 62399.2663939443 0.5198015547 - 1.747945360161 84185.1233537877 0.3902776175 - 1.747997934301 32962.7869847414 1.2585225195 - 1.747996510728 38493.5623497282 1.0113794949 - 1.747992742988 46748.0842761697 0.7634578206 - 1.747978439116 61142.3519647684 0.5231778472 - 1.747947088496 78327.6347983778 0.3939906944 - 1.747873599921 108941.7850100012 0.3047346489 - 1.747747323390 156457.6918245365 0.2504597493 - 1.747571761687 214360.4445979760 0.2158401585 - 1.747998000095 39489.5022731876 1.2491878818 - 1.747996637290 44464.1241138789 1.0099401132 - 1.747993037776 50643.0108913228 0.7674478116 - 1.747979410365 58645.7920316700 0.5299960128 - 1.747949647428 67040.2985959293 0.4013221565 - 1.747880260217 84291.5465070629 0.3119983011 - 1.747762037207 118467.6971777004 0.2575276889 - 1.747599612197 171840.4070486451 0.2227431544 - 3.691996746935 48817.6259630176 1.7014264598 - 3.691994524436 59430.5783038909 1.3534524011 - 3.691988713465 76537.2485913727 1.0093656304 - 3.691966316629 111346.5192532010 0.6758009212 - 3.691924709633 152240.2013615752 0.5162739893 - 3.691996809136 54620.2210046555 1.6906482269 - 3.691994626775 64440.7158037218 1.3500254585 - 3.691988926147 79394.1333896625 1.0110185208 - 3.691967026595 108009.0342183935 0.6802555846 - 3.691926593900 141685.2481086686 0.5213172604 - 3.691832083757 205965.3166346611 0.4027142125 - 3.691659378886 303292.4736611862 0.3257936674 - 3.691996834085 63691.3968571254 1.6723746879 - 3.691994700374 72769.9106007740 1.3449293783 - 3.691989149103 84430.5265449078 1.0150664049 - 3.691967938718 101218.0218433382 0.6892667033 - 3.691928994557 119732.3017060769 0.5312972224 - 3.691838596218 162739.3489798870 0.4128467953 - 3.691675096394 246384.5854041078 0.3358840375 - 7.295995276830 61740.7533097928 2.9949246506 - 7.295992113015 77322.3508440803 2.3315657712 - 7.295984009420 103391.8265808630 1.6937771522 - 7.295954859505 157235.0931453160 1.1058971668 - 7.295896480235 227251.8420712634 0.8098726742 - 7.295995298478 66473.5187692111 2.9694324191 - 7.295992151943 81394.9836535049 2.3222461355 - 7.295984111365 105382.8613597259 1.6953933702 - 7.295955349132 152817.5078364052 1.1133115064 - 7.295898288211 214841.4245530445 0.8185828688 - 7.295777653079 316763.7527735381 0.6215611900 - 7.295574391444 446056.2708088766 0.4973998098 - 7.295995199642 73868.3773816540 2.9252637507 - 7.295992044752 88154.9090786253 2.3070968499 - 7.295984033297 108885.1135774117 1.7000236413 - 7.295955620930 143528.0565488001 1.1283706379 - 7.295899753136 187018.7157331956 0.8358573511 - 7.295782820623 269718.7651319868 0.6392762827 - 7.295588332841 393292.6040529185 0.5153018120 - 9.163994460660 56447.5064247893 4.2348485692 - 9.163990812250 72180.1056528544 3.2398882157 - 9.163981582751 99117.6488568974 2.3037590268 - 9.163949153958 155630.5565896778 1.4658258638 - 9.163890241450 224085.6036769359 1.0713893521 - 9.163994453208 59977.1547671388 4.1953950692 - 9.163990805522 75219.4106428273 3.2251946118 - 9.163981604482 100470.8167711995 2.3054287734 - 9.163949486800 151536.9257203267 1.4758442915 - 9.163891735031 213518.1263871350 1.0831189847 - 9.163746956176 331373.2858414029 0.7824985348 - 9.163994271160 65525.5168236886 4.1266294627 - 9.163990576128 80289.1345577083 3.2008705896 - 9.163981322236 102852.4803349478 2.3107361625 - 9.163949340158 142866.5893528663 1.4962191242 - 9.163892401752 189594.5199052038 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Specific Conductance (µS/cm, 150°C) = 136223 Density (g/cm³) = 0.94538 Volume (L) = 1.09317 - Viscosity (mPa s) = 0.20495 + Viscosity (mPa s) = 0.20496 Activity of water = 0.991 Ionic strength (mol/kgw) = 7.068e-01 Mass of water (kg) = 1.000e+00 diff --git a/mytest/visc_NaK2SO4_101.sel b/mytest/visc_NaK2SO4_101.sel index b896799d9..0671006cf 100644 --- a/mytest/visc_NaK2SO4_101.sel +++ b/mytest/visc_NaK2SO4_101.sel @@ -1,131 +1,131 @@ Mu SC Viscosity - 0.000000100644 0.0547821166 0.8900243335 - 0.003000065168 191.2292559065 1.1388102341 - 0.015000052421 888.6317149791 1.1417033649 - 0.030000040727 1686.4632090802 1.1448579295 - 0.060000024306 3143.9452595369 1.1507674986 - 0.149999995736 6938.4380559225 1.1675849368 - 0.150299995666 6950.1520498530 1.1676400552 - 0.180599989158 8110.4790024136 1.1731918712 - 0.240899978564 10308.5125185041 1.1841858917 - 0.299999970260 12354.0653026368 1.1949386089 - 0.301199970108 12394.6898141002 1.1951569737 - 0.421799957168 16332.8214138981 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0.599999086672 63520.3758309171 0.4904762984 + 0.719399013232 74253.2531495637 0.4949292664 + 0.899998918564 90162.1881779585 0.5016438021 + 1.093198831755 106858.8808369827 0.5088229033 + 1.199998788169 115970.8565621600 0.5127969020 + 1.499998676706 141165.0513644148 0.5240047426 + 1.709098605277 158385.7175936608 0.5318731339 + 1.799998575254 165783.7281933246 0.5353120168 + 2.099998478979 189805.5824198054 0.5467558771 + 2.106298476990 190303.3611435835 0.5469979206 + 2.399998385066 213189.6605962442 0.5583723156 + 2.498398354467 220713.0681573548 0.5622263985 + 2.699998291807 235890.6741960724 0.5701991517 + 2.943898215711 253812.8127108734 0.5799978132 + 3.046498183515 261203.0981504312 0.5841752284 + 3.149998150889 268566.5483770011 0.5884253836 diff --git a/mytest/visc_NaKCl.out b/mytest/visc_NaKCl.out index f5e06398c..0e01d4f24 100644 --- a/mytest/visc_NaKCl.out +++ b/mytest/visc_NaKCl.out @@ -7752,7 +7752,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 26677 Density (g/cm³) = 1.00748 Volume (L) = 1.00842 - Viscosity (mPa s) = 0.89931 + Viscosity (mPa s) = 0.89932 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.401e-01 Mass of water (kg) = 1.000e+00 @@ -7829,7 +7829,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 30767 Density (g/cm³) = 1.00918 Volume (L) = 1.00935 - Viscosity (mPa s) = 0.90071 + Viscosity (mPa s) = 0.90072 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.801e-01 Mass of water (kg) = 1.000e+00 @@ -7903,10 +7903,10 @@ Reaction 1. pH = 10.041 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 34800 + Specific Conductance (µS/cm, 25°C) = 34799 Density (g/cm³) = 1.01088 Volume (L) = 1.01029 - Viscosity (mPa s) = 0.90212 + Viscosity (mPa s) = 0.90213 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.202e-01 Mass of water (kg) = 1.000e+00 @@ -7983,7 +7983,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 38780 Density (g/cm³) = 1.01258 Volume (L) = 1.01122 - Viscosity (mPa s) = 0.90354 + Viscosity (mPa s) = 0.90355 Activity of water = 0.988 Ionic strength (mol/kgw) = 3.602e-01 Mass of water (kg) = 1.000e+00 @@ -8134,10 +8134,10 @@ Reaction 1. pH = 10.425 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 83423 + Specific Conductance (µS/cm, 25°C) = 83422 Density (g/cm³) = 1.03239 Volume (L) = 1.02274 - Viscosity (mPa s) = 0.92161 + Viscosity (mPa s) = 0.92163 Activity of water = 0.973 Ionic strength (mol/kgw) = 8.404e-01 Mass of water (kg) = 1.000e+00 @@ -8211,10 +8211,10 @@ Reaction 1. pH = 10.597 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 120386 + Specific Conductance (µS/cm, 25°C) = 120383 Density (g/cm³) = 1.04982 Volume (L) = 1.03363 - Viscosity (mPa s) = 0.94038 + Viscosity (mPa s) = 0.94042 Activity of water = 0.958 Ionic strength (mol/kgw) = 1.281e+00 Mass of water (kg) = 1.000e+00 @@ -8288,10 +8288,10 @@ Reaction 1. pH = 10.722 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 154136 + Specific Conductance (µS/cm, 25°C) = 154130 Density (g/cm³) = 1.06662 Volume (L) = 1.04479 - Viscosity (mPa s) = 0.96155 + Viscosity (mPa s) = 0.96161 Activity of water = 0.944 Ionic strength (mol/kgw) = 1.721e+00 Mass of water (kg) = 1.000e+00 @@ -8365,10 +8365,10 @@ Reaction 1. pH = 10.821 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 184901 + Specific Conductance (µS/cm, 25°C) = 184892 Density (g/cm³) = 1.08283 Volume (L) = 1.05617 - Viscosity (mPa s) = 0.98525 + Viscosity (mPa s) = 0.98534 Activity of water = 0.929 Ionic strength (mol/kgw) = 2.161e+00 Mass of water (kg) = 1.000e+00 @@ -8442,10 +8442,10 @@ Reaction 1. pH = 10.905 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 212828 + Specific Conductance (µS/cm, 25°C) = 212813 Density (g/cm³) = 1.09847 Volume (L) = 1.06778 - Viscosity (mPa s) = 1.01157 + Viscosity (mPa s) = 1.01169 Activity of water = 0.914 Ionic strength (mol/kgw) = 2.601e+00 Mass of water (kg) = 1.000e+00 @@ -8519,10 +8519,10 @@ Reaction 1. pH = 10.978 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 238039 + Specific Conductance (µS/cm, 25°C) = 238019 Density (g/cm³) = 1.11356 Volume (L) = 1.07958 - Viscosity (mPa s) = 1.04059 + Viscosity (mPa s) = 1.04074 Activity of water = 0.898 Ionic strength (mol/kgw) = 3.042e+00 Mass of water (kg) = 1.000e+00 @@ -8596,10 +8596,10 @@ Reaction 1. pH = 11.043 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 260655 + Specific Conductance (µS/cm, 25°C) = 260629 Density (g/cm³) = 1.12813 Volume (L) = 1.09158 - Viscosity (mPa s) = 1.07235 + Viscosity (mPa s) = 1.07253 Activity of water = 0.882 Ionic strength (mol/kgw) = 3.482e+00 Mass of water (kg) = 1.000e+00 @@ -8673,10 +8673,10 @@ Reaction 1. pH = 11.103 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 280802 + Specific Conductance (µS/cm, 25°C) = 280770 Density (g/cm³) = 1.14219 Volume (L) = 1.10376 - Viscosity (mPa s) = 1.10691 + Viscosity (mPa s) = 1.10713 Activity of water = 0.866 Ionic strength (mol/kgw) = 3.922e+00 Mass of water (kg) = 1.000e+00 @@ -8750,10 +8750,10 @@ Reaction 1. pH = 11.158 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 298611 + Specific Conductance (µS/cm, 25°C) = 298573 Density (g/cm³) = 1.15577 Volume (L) = 1.11612 - Viscosity (mPa s) = 1.14430 + Viscosity (mPa s) = 1.14455 Activity of water = 0.849 Ionic strength (mol/kgw) = 4.362e+00 Mass of water (kg) = 1.000e+00 @@ -8827,10 +8827,10 @@ Reaction 1. pH = 11.209 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 314221 + Specific Conductance (µS/cm, 25°C) = 314177 Density (g/cm³) = 1.16887 Volume (L) = 1.12865 - Viscosity (mPa s) = 1.18456 + Viscosity (mPa s) = 1.18485 Activity of water = 0.832 Ionic strength (mol/kgw) = 4.803e+00 Mass of water (kg) = 1.000e+00 @@ -8904,10 +8904,10 @@ Reaction 1. pH = 11.257 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 327771 + Specific Conductance (µS/cm, 25°C) = 327723 Density (g/cm³) = 1.18151 Volume (L) = 1.14134 - Viscosity (mPa s) = 1.22772 + Viscosity (mPa s) = 1.22803 Activity of water = 0.815 Ionic strength (mol/kgw) = 5.243e+00 Mass of water (kg) = 1.000e+00 @@ -10156,7 +10156,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 3674 Density (g/cm³) = 0.99833 Volume (L) = 1.00366 - Viscosity (mPa s) = 0.89102 + Viscosity (mPa s) = 0.89103 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.805e-02 Mass of water (kg) = 1.000e+00 @@ -10541,7 +10541,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 14694 Density (g/cm³) = 1.00249 Volume (L) = 1.00597 - Viscosity (mPa s) = 0.89261 + Viscosity (mPa s) = 0.89262 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.202e-01 Mass of water (kg) = 1.000e+00 @@ -10618,7 +10618,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 19257 Density (g/cm³) = 1.00428 Volume (L) = 1.00699 - Viscosity (mPa s) = 0.89322 + Viscosity (mPa s) = 0.89323 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.603e-01 Mass of water (kg) = 1.000e+00 @@ -10692,10 +10692,10 @@ Reaction 1. pH = 10.436 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 23731 + Specific Conductance (µS/cm, 25°C) = 23730 Density (g/cm³) = 1.00606 Volume (L) = 1.00801 - Viscosity (mPa s) = 0.89381 + Viscosity (mPa s) = 0.89382 Activity of water = 0.993 Ionic strength (mol/kgw) = 2.004e-01 Mass of water (kg) = 1.000e+00 @@ -10772,7 +10772,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 28130 Density (g/cm³) = 1.00784 Volume (L) = 1.00903 - Viscosity (mPa s) = 0.89440 + Viscosity (mPa s) = 0.89442 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.405e-01 Mass of water (kg) = 1.000e+00 @@ -10849,7 +10849,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 32466 Density (g/cm³) = 1.00960 Volume (L) = 1.01007 - Viscosity (mPa s) = 0.89499 + Viscosity (mPa s) = 0.89501 Activity of water = 0.991 Ionic strength (mol/kgw) = 2.805e-01 Mass of water (kg) = 1.000e+00 @@ -10923,10 +10923,10 @@ Reaction 1. pH = 10.625 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 36746 + Specific Conductance (µS/cm, 25°C) = 36745 Density (g/cm³) = 1.01136 Volume (L) = 1.01110 - Viscosity (mPa s) = 0.89559 + Viscosity (mPa s) = 0.89561 Activity of water = 0.990 Ionic strength (mol/kgw) = 3.206e-01 Mass of water (kg) = 1.000e+00 @@ -11000,10 +11000,10 @@ Reaction 1. pH = 10.672 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 40975 + Specific Conductance (µS/cm, 25°C) = 40974 Density (g/cm³) = 1.01311 Volume (L) = 1.01214 - Viscosity (mPa s) = 0.89619 + Viscosity (mPa s) = 0.89622 Activity of water = 0.988 Ionic strength (mol/kgw) = 3.607e-01 Mass of water (kg) = 1.000e+00 @@ -11077,10 +11077,10 @@ Reaction 1. pH = 10.715 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 45157 + Specific Conductance (µS/cm, 25°C) = 45156 Density (g/cm³) = 1.01486 Volume (L) = 1.01318 - Viscosity (mPa s) = 0.89681 + Viscosity (mPa s) = 0.89684 Activity of water = 0.987 Ionic strength (mol/kgw) = 4.008e-01 Mass of water (kg) = 1.000e+00 @@ -11154,10 +11154,10 @@ Reaction 1. pH = 11.020 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 88716 + Specific Conductance (µS/cm, 25°C) = 88712 Density (g/cm³) = 1.03360 Volume (L) = 1.02487 - Viscosity (mPa s) = 0.90437 + Viscosity (mPa s) = 0.90445 Activity of water = 0.973 Ionic strength (mol/kgw) = 8.416e-01 Mass of water (kg) = 1.000e+00 @@ -11231,10 +11231,10 @@ Reaction 1. pH = 11.200 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 128699 + Specific Conductance (µS/cm, 25°C) = 128687 Density (g/cm³) = 1.05159 Volume (L) = 1.03687 - Viscosity (mPa s) = 0.91375 + Viscosity (mPa s) = 0.91391 Activity of water = 0.959 Ionic strength (mol/kgw) = 1.282e+00 Mass of water (kg) = 1.000e+00 @@ -11308,10 +11308,10 @@ Reaction 1. pH = 11.333 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 165621 + Specific Conductance (µS/cm, 25°C) = 165599 Density (g/cm³) = 1.06889 Volume (L) = 1.04915 - Viscosity (mPa s) = 0.92513 + Viscosity (mPa s) = 0.92537 Activity of water = 0.945 Ionic strength (mol/kgw) = 1.723e+00 Mass of water (kg) = 9.999e-01 @@ -11385,10 +11385,10 @@ Reaction 1. pH = 11.440 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 199686 + Specific Conductance (µS/cm, 25°C) = 199649 Density (g/cm³) = 1.08553 Volume (L) = 1.06168 - Viscosity (mPa s) = 0.93859 + Viscosity (mPa s) = 0.93892 Activity of water = 0.930 Ionic strength (mol/kgw) = 2.164e+00 Mass of water (kg) = 9.999e-01 @@ -11462,10 +11462,10 @@ Reaction 1. pH = 11.531 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 231009 + Specific Conductance (µS/cm, 25°C) = 230954 Density (g/cm³) = 1.10155 Volume (L) = 1.07444 - Viscosity (mPa s) = 0.95419 + Viscosity (mPa s) = 0.95462 Activity of water = 0.915 Ionic strength (mol/kgw) = 2.605e+00 Mass of water (kg) = 9.999e-01 @@ -11539,10 +11539,10 @@ Reaction 1. pH = 11.611 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 259681 + Specific Conductance (µS/cm, 25°C) = 259606 Density (g/cm³) = 1.11696 Volume (L) = 1.08743 - Viscosity (mPa s) = 0.97195 + Viscosity (mPa s) = 0.97248 Activity of water = 0.900 Ionic strength (mol/kgw) = 3.046e+00 Mass of water (kg) = 9.999e-01 @@ -11616,10 +11616,10 @@ Reaction 1. pH = 11.684 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 285789 + Specific Conductance (µS/cm, 25°C) = 285691 Density (g/cm³) = 1.13179 Volume (L) = 1.10062 - Viscosity (mPa s) = 0.99190 + Viscosity (mPa s) = 0.99255 Activity of water = 0.885 Ionic strength (mol/kgw) = 3.487e+00 Mass of water (kg) = 9.999e-01 @@ -11693,10 +11693,10 @@ Reaction 1. pH = 11.751 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 309421 + Specific Conductance (µS/cm, 25°C) = 309299 Density (g/cm³) = 1.14606 Volume (L) = 1.11402 - Viscosity (mPa s) = 1.01407 + Viscosity (mPa s) = 1.01484 Activity of water = 0.870 Ionic strength (mol/kgw) = 3.928e+00 Mass of water (kg) = 9.999e-01 @@ -11770,10 +11770,10 @@ Reaction 1. pH = 11.813 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 330677 + Specific Conductance (µS/cm, 25°C) = 330529 Density (g/cm³) = 1.15978 Volume (L) = 1.12763 - Viscosity (mPa s) = 1.03848 + Viscosity (mPa s) = 1.03937 Activity of water = 0.854 Ionic strength (mol/kgw) = 4.369e+00 Mass of water (kg) = 9.999e-01 @@ -11847,10 +11847,10 @@ Reaction 1. pH = 11.872 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 349660 + Specific Conductance (µS/cm, 25°C) = 349486 Density (g/cm³) = 1.17298 Volume (L) = 1.14142 - Viscosity (mPa s) = 1.06512 + Viscosity (mPa s) = 1.06614 Activity of water = 0.838 Ionic strength (mol/kgw) = 4.810e+00 Mass of water (kg) = 9.998e-01 @@ -11924,10 +11924,10 @@ Reaction 1. pH = 11.927 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 366483 + Specific Conductance (µS/cm, 25°C) = 366283 Density (g/cm³) = 1.18566 Volume (L) = 1.15541 - Viscosity (mPa s) = 1.09403 + Viscosity (mPa s) = 1.09519 Activity of water = 0.822 Ionic strength (mol/kgw) = 5.251e+00 Mass of water (kg) = 9.998e-01 diff --git a/mytest/volume-zero.out b/mytest/volume-zero.out index 32102d5e6..689ad2e41 100644 --- a/mytest/volume-zero.out +++ b/mytest/volume-zero.out @@ -77,10 +77,10 @@ Initial solution 1. (SampleID 20120312 PN1) pH = 6.680 pe = 0.851 - Specific Conductance (µS/cm, 58°C) = 38978 + Specific Conductance (µS/cm, 58°C) = 38971 Density (g/cm³) = 0.99391 Volume (L) = 1.02047 - Viscosity (mPa s) = 0.50288 + Viscosity (mPa s) = 0.50301 Activity of water = 0.992 Ionic strength (mol/kgw) = 2.424e-01 Mass of water (kg) = 1.000e+00 @@ -199,7 +199,6 @@ Na 2.253e-01 Na+ 2.237e-01 1.620e-01 -0.650 -0.790 -0.140 0.21 NaHCO3 1.526e-03 1.706e-03 -2.817 -2.768 0.048 31.30 NaSO4- 2.601e-05 1.883e-05 -4.585 -4.725 -0.140 3.15 - NaOH 6.159e-18 6.513e-18 -17.210 -17.186 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -46.249 -46.225 0.024 32.28 S(6) 5.278e-05 @@ -339,10 +338,10 @@ CO2(g) -0.75 1.789e-01 0.648 6.756e-03 7.196e-03 4.403e-04 pH = 6.739 Charge balance pe = -4.439 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 58°C) = 38863 + Specific Conductance (µS/cm, 58°C) = 38857 Density (g/cm³) = 0.99746 Volume (L) = 1.01825 - Viscosity (mPa s) = 0.50620 + Viscosity (mPa s) = 0.50630 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.425e-01 Mass of water (kg) = 1.000e+00 @@ -352,7 +351,7 @@ CO2(g) -0.75 1.789e-01 0.648 6.756e-03 7.196e-03 4.403e-04 Pressure (atm) = 129.00 Electrical balance (eq) = -9.081e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.19 - Iterations = 25 + Iterations = 14 Total H = 1.113870e+02 Total O = 5.553745e+01 @@ -465,7 +464,6 @@ Na 2.253e-01 Na+ 2.237e-01 1.624e-01 -0.650 -0.789 -0.139 0.58 NaHCO3 1.524e-03 1.704e-03 -2.817 -2.769 0.048 31.37 NaSO4- 1.021e-08 7.409e-09 -7.991 -8.130 -0.139 5.09 - NaOH 7.723e-18 8.167e-18 -17.112 -17.088 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -67.165 -67.140 0.024 31.97 S(-2) 5.276e-05 @@ -594,10 +592,10 @@ Using gas phase 1. pH = 6.739 Charge balance pe = -4.439 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 58°C) = 38863 + Specific Conductance (µS/cm, 58°C) = 38857 Density (g/cm³) = 0.99746 Volume (L) = 1.01825 - Viscosity (mPa s) = 0.50620 + Viscosity (mPa s) = 0.50630 Activity of water = 0.990 Ionic strength (mol/kgw) = 2.425e-01 Mass of water (kg) = 1.000e+00 @@ -720,7 +718,6 @@ Na 2.253e-01 Na+ 2.237e-01 1.624e-01 -0.650 -0.789 -0.139 0.58 NaHCO3 1.524e-03 1.704e-03 -2.817 -2.769 0.048 31.37 NaSO4- 1.021e-08 7.409e-09 -7.991 -8.130 -0.139 5.09 - NaOH 7.723e-18 8.167e-18 -17.112 -17.088 0.024 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -67.165 -67.140 0.024 31.97 S(-2) 5.276e-05 diff --git a/mytest/volume-zero_101.sel b/mytest/volume-zero_101.sel index 7c5060f0c..2baeca268 100644 --- a/mytest/volume-zero_101.sel +++ b/mytest/volume-zero_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.242393001823 38978.4877007241 - 0.242472947622 38863.4277285188 - 0.242472947622 38863.4277285188 + 0.242393001823 38971.4565397655 + 0.242472947624 38857.8828097054 + 0.242472947624 38857.8828097055 diff --git a/mytest/water_vp1_101.sel b/mytest/water_vp1_101.sel index 30e9d5adb..3c9a0362f 100644 --- a/mytest/water_vp1_101.sel +++ b/mytest/water_vp1_101.sel @@ -1,28 +1,28 @@ Mu SC 0.000000100644 0.0547821292 0.000000033952 0.0114859182 - 0.000000100644 0.0547765031 - 0.000000234097 0.1697380514 - 0.000000453436 0.3969680176 - 0.000000760967 0.7555719963 - 0.000001136903 1.2243872180 - 0.000001540282 1.7392443095 - 0.000001916867 2.2094495671 - 0.000002212387 2.5466641043 - 0.000002387753 2.6941338765 - 0.000002434028 2.6469672748 - 0.000002389197 2.4625119560 - 0.000002381989 2.2822811695 + 0.000000100644 0.0547765032 + 0.000000234097 0.1697380513 + 0.000000453436 0.3969680129 + 0.000000760967 0.7555719697 + 0.000001136903 1.2243871432 + 0.000001540282 1.7392442357 + 0.000001916867 2.2094502377 + 0.000002212387 2.5466581147 + 0.000002387753 2.6941314504 + 0.000002434028 2.6469654154 + 0.000002389197 2.4625104606 + 0.000002381989 2.2822798843 0.000000033952 0.0114859160 0.000000100644 0.0547765045 - 0.000000234097 0.1697380513 - 0.000000453436 0.3969680162 - 0.000000760967 0.7555719834 - 0.000001137128 1.2246295365 - 0.000001540948 1.7399962154 - 0.000001918470 2.2112964149 - 0.000002215548 2.5503026508 - 0.000002392611 2.6996142608 - 0.000002438126 2.6514226179 - 0.000002380661 2.4537168688 - 0.000002313614 2.2167885098 + 0.000000234097 0.1697380512 + 0.000000453436 0.3969680115 + 0.000000760967 0.7555719569 + 0.000001137128 1.2246294617 + 0.000001540948 1.7399961414 + 0.000001918470 2.2112970825 + 0.000002215548 2.5502965566 + 0.000002392611 2.6996118171 + 0.000002438126 2.6514207504 + 0.000002380661 2.4537153854 + 0.000002313614 2.2167873018 diff --git a/mytest/water_vp_101.sel b/mytest/water_vp_101.sel index 30e9d5adb..3c9a0362f 100644 --- a/mytest/water_vp_101.sel +++ b/mytest/water_vp_101.sel @@ -1,28 +1,28 @@ Mu SC 0.000000100644 0.0547821292 0.000000033952 0.0114859182 - 0.000000100644 0.0547765031 - 0.000000234097 0.1697380514 - 0.000000453436 0.3969680176 - 0.000000760967 0.7555719963 - 0.000001136903 1.2243872180 - 0.000001540282 1.7392443095 - 0.000001916867 2.2094495671 - 0.000002212387 2.5466641043 - 0.000002387753 2.6941338765 - 0.000002434028 2.6469672748 - 0.000002389197 2.4625119560 - 0.000002381989 2.2822811695 + 0.000000100644 0.0547765032 + 0.000000234097 0.1697380513 + 0.000000453436 0.3969680129 + 0.000000760967 0.7555719697 + 0.000001136903 1.2243871432 + 0.000001540282 1.7392442357 + 0.000001916867 2.2094502377 + 0.000002212387 2.5466581147 + 0.000002387753 2.6941314504 + 0.000002434028 2.6469654154 + 0.000002389197 2.4625104606 + 0.000002381989 2.2822798843 0.000000033952 0.0114859160 0.000000100644 0.0547765045 - 0.000000234097 0.1697380513 - 0.000000453436 0.3969680162 - 0.000000760967 0.7555719834 - 0.000001137128 1.2246295365 - 0.000001540948 1.7399962154 - 0.000001918470 2.2112964149 - 0.000002215548 2.5503026508 - 0.000002392611 2.6996142608 - 0.000002438126 2.6514226179 - 0.000002380661 2.4537168688 - 0.000002313614 2.2167885098 + 0.000000234097 0.1697380512 + 0.000000453436 0.3969680115 + 0.000000760967 0.7555719569 + 0.000001137128 1.2246294617 + 0.000001540948 1.7399961414 + 0.000001918470 2.2112970825 + 0.000002215548 2.5502965566 + 0.000002392611 2.6996118171 + 0.000002438126 2.6514207504 + 0.000002380661 2.4537153854 + 0.000002313614 2.2167873018 diff --git a/mytest/xsoln_visc.out b/mytest/xsoln_visc.out index eca38a362..d087f1f5c 100644 --- a/mytest/xsoln_visc.out +++ b/mytest/xsoln_visc.out @@ -138,17 +138,17 @@ Reaction 1. pH = 6.527 Charge balance pe = 3.712 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 198°C) = 57406 + Specific Conductance (µS/cm, 198°C) = 57405 Density (g/cm³) = 0.88135 Volume (L) = 1.15164 - Viscosity (mPa s) = 0.14156 + Viscosity (mPa s) = 0.14157 Activity of water = 0.996 Ionic strength (mol/kgw) = 1.424e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.222e-17 + Total alkalinity (eq/kg) = 4.102e-17 Temperature (°C) = 197.55 Pressure (atm) = 14.55 - Electrical balance (eq) = 1.804e-16 + Electrical balance (eq) = 2.012e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 @@ -167,7 +167,6 @@ H(0) 1.515e-24 Na 2.112e-01 Na+ 1.240e-01 8.143e-02 -0.907 -1.089 -0.183 1.73 NaSO4- 8.719e-02 5.858e-02 -1.060 -1.232 -0.173 -12.30 - NaOH 1.252e-16 1.294e-16 -15.902 -15.888 0.014 (0) O(0) 2.401e-09 O2 1.200e-09 1.240e-09 -8.921 -8.906 0.014 39.03 S(-2) 0.000e+00 diff --git a/mytest/xsoln_visc_101.sel b/mytest/xsoln_visc_101.sel index ef85162ec..06e61a96e 100644 --- a/mytest/xsoln_visc_101.sel +++ b/mytest/xsoln_visc_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.000000100644 0.8900243335 - 0.142396361632 0.1415616460 - 0.000000100644 0.8900243335 + 0.000000100644 0.8900243330 + 0.142396361632 0.1415710219 + 0.000000100644 0.8900243330 diff --git a/mytest/y_H2O.out b/mytest/y_H2O.out index bc1aa7b6d..922497e30 100644 --- a/mytest/y_H2O.out +++ b/mytest/y_H2O.out @@ -154,7 +154,7 @@ H2O(g) -1.50 3.182e-02 0.987 0.000e+00 1.311e-03 1.311e-03 Specific Conductance (µS/cm, 25°C) = 55 Density (g/cm³) = 0.99750 Volume (L) = 1.00448 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.89341 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.433e-04 Mass of water (kg) = 1.000e+00 @@ -245,10 +245,10 @@ H2O(g) -1.49 3.223e-02 0.974 1.311e-03 1.338e-03 2.708e-05 pH = 3.701 Charge balance pe = 14.056 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 78 + Specific Conductance (µS/cm, 25°C) = 77 Density (g/cm³) = 0.99799 Volume (L) = 1.00594 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89655 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.023e-04 Mass of water (kg) = 1.000e+00 @@ -339,10 +339,10 @@ H2O(g) -1.49 3.266e-02 0.962 1.338e-03 1.366e-03 2.791e-05 pH = 3.615 Charge balance pe = 14.226 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 95 + Specific Conductance (µS/cm, 25°C) = 93 Density (g/cm³) = 0.99846 Volume (L) = 1.00738 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89961 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.470e-04 Mass of water (kg) = 1.000e+00 @@ -433,10 +433,10 @@ H2O(g) -1.48 3.309e-02 0.950 1.366e-03 1.394e-03 2.877e-05 pH = 3.554 Charge balance pe = 14.446 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 109 + Specific Conductance (µS/cm, 25°C) = 106 Density (g/cm³) = 0.99893 Volume (L) = 1.00879 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.90260 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.842e-04 Mass of water (kg) = 1.000e+00 @@ -527,10 +527,10 @@ H2O(g) -1.47 3.353e-02 0.938 1.394e-03 1.424e-03 2.966e-05 pH = 3.508 Charge balance pe = 14.468 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 121 + Specific Conductance (µS/cm, 25°C) = 117 Density (g/cm³) = 0.99939 Volume (L) = 1.01018 - Viscosity (mPa s) = 0.89010 + Viscosity (mPa s) = 0.90552 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.166e-04 Mass of water (kg) = 1.000e+00 @@ -621,10 +621,10 @@ H2O(g) -1.47 3.397e-02 0.925 1.424e-03 1.455e-03 3.057e-05 pH = 3.471 Charge balance pe = 14.574 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 132 + Specific Conductance (µS/cm, 25°C) = 126 Density (g/cm³) = 0.99985 Volume (L) = 1.01154 - Viscosity (mPa s) = 0.89009 + Viscosity (mPa s) = 0.90838 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.455e-04 Mass of water (kg) = 1.000e+00 @@ -715,10 +715,10 @@ H2O(g) -1.46 3.443e-02 0.913 1.455e-03 1.486e-03 3.152e-05 pH = 3.439 Charge balance pe = 14.557 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 141 + Specific Conductance (µS/cm, 25°C) = 134 Density (g/cm³) = 1.00029 Volume (L) = 1.01287 - Viscosity (mPa s) = 0.89008 + Viscosity (mPa s) = 0.91117 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.716e-04 Mass of water (kg) = 1.000e+00 @@ -809,10 +809,10 @@ H2O(g) -1.46 3.490e-02 0.901 1.486e-03 1.519e-03 3.250e-05 pH = 3.412 Charge balance pe = 14.602 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 150 + Specific Conductance (µS/cm, 25°C) = 142 Density (g/cm³) = 1.00072 Volume (L) = 1.01417 - Viscosity (mPa s) = 0.89008 + Viscosity (mPa s) = 0.91391 Activity of water = 0.994 Ionic strength (mol/kgw) = 3.956e-04 Mass of water (kg) = 1.000e+00 @@ -903,10 +903,10 @@ H2O(g) -1.45 3.537e-02 0.890 1.519e-03 1.552e-03 3.351e-05 pH = 3.389 Charge balance pe = 14.683 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 158 + Specific Conductance (µS/cm, 25°C) = 149 Density (g/cm³) = 1.00115 Volume (L) = 1.01545 - Viscosity (mPa s) = 0.89007 + Viscosity (mPa s) = 0.91658 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.178e-04 Mass of water (kg) = 1.000e+00 @@ -997,10 +997,10 @@ H2O(g) -1.45 3.586e-02 0.878 1.552e-03 1.587e-03 3.455e-05 pH = 3.368 Charge balance pe = 14.757 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 165 + Specific Conductance (µS/cm, 25°C) = 155 Density (g/cm³) = 1.00156 Volume (L) = 1.01670 - Viscosity (mPa s) = 0.89006 + Viscosity (mPa s) = 0.91920 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.384e-04 Mass of water (kg) = 1.000e+00 @@ -1091,10 +1091,10 @@ H2O(g) -1.42 3.843e-02 0.821 1.587e-03 1.776e-03 1.896e-04 pH = 3.291 Charge balance pe = 14.800 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 196 + Specific Conductance (µS/cm, 25°C) = 178 Density (g/cm³) = 1.00351 Volume (L) = 1.02252 - Viscosity (mPa s) = 0.89001 + Viscosity (mPa s) = 0.93136 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.244e-04 Mass of water (kg) = 1.000e+00 @@ -1185,10 +1185,10 @@ H2O(g) -1.38 4.125e-02 0.766 1.776e-03 1.998e-03 2.212e-04 pH = 3.241 Charge balance pe = 14.869 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 218 + Specific Conductance (µS/cm, 25°C) = 193 Density (g/cm³) = 1.00523 Volume (L) = 1.02762 - Viscosity (mPa s) = 0.88995 + Viscosity (mPa s) = 0.94202 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.901e-04 Mass of water (kg) = 1.000e+00 @@ -1279,10 +1279,10 @@ H2O(g) -1.35 4.432e-02 0.714 1.998e-03 2.255e-03 2.576e-04 pH = 3.204 Charge balance pe = 14.880 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 235 + Specific Conductance (µS/cm, 25°C) = 204 Density (g/cm³) = 1.00673 Volume (L) = 1.03202 - Viscosity (mPa s) = 0.88989 + Viscosity (mPa s) = 0.95123 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.420e-04 Mass of water (kg) = 9.999e-01 @@ -1373,10 +1373,10 @@ H2O(g) -1.32 4.764e-02 0.666 2.255e-03 2.555e-03 2.993e-04 pH = 3.178 Charge balance pe = 14.929 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 248 + Specific Conductance (µS/cm, 25°C) = 212 Density (g/cm³) = 1.00802 Volume (L) = 1.03574 - Viscosity (mPa s) = 0.88983 + Viscosity (mPa s) = 0.95902 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.833e-04 Mass of water (kg) = 9.999e-01 @@ -1467,10 +1467,10 @@ H2O(g) -1.29 5.120e-02 0.621 2.555e-03 2.901e-03 3.465e-04 pH = 3.158 Charge balance pe = 14.950 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 259 + Specific Conductance (µS/cm, 25°C) = 218 Density (g/cm³) = 1.00911 Volume (L) = 1.03881 - Viscosity (mPa s) = 0.88978 + Viscosity (mPa s) = 0.96549 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.162e-04 Mass of water (kg) = 9.999e-01 @@ -1561,10 +1561,10 @@ H2O(g) -1.17 6.729e-02 0.476 2.901e-03 4.866e-03 1.965e-03 pH = 3.115 Charge balance pe = 14.978 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 282 + Specific Conductance (µS/cm, 25°C) = 230 Density (g/cm³) = 1.01180 Volume (L) = 1.04588 - Viscosity (mPa s) = 0.88962 + Viscosity (mPa s) = 0.98064 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.902e-04 Mass of water (kg) = 9.999e-01 @@ -1655,10 +1655,10 @@ H2O(g) -1.07 8.434e-02 0.381 4.866e-03 7.997e-03 3.131e-03 pH = 3.104 Charge balance pe = 14.988 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01268 Volume (L) = 1.04779 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98503 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.117e-04 Mass of water (kg) = 9.998e-01 @@ -1749,10 +1749,10 @@ H2O(g) -1.00 1.007e-01 0.320 7.997e-03 1.253e-02 4.538e-03 pH = 3.103 Charge balance pe = 14.957 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01275 Volume (L) = 1.04784 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98534 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.134e-04 Mass of water (kg) = 9.998e-01 @@ -1843,10 +1843,10 @@ H2O(g) -0.92 1.196e-01 0.269 1.253e-02 1.858e-02 6.047e-03 pH = 3.103 Charge balance pe = 14.949 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01272 Volume (L) = 1.04763 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98516 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.126e-04 Mass of water (kg) = 9.997e-01 @@ -1937,10 +1937,10 @@ H2O(g) -0.85 1.418e-01 0.227 1.858e-02 2.643e-02 7.847e-03 pH = 3.104 Charge balance pe = 14.858 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01268 Volume (L) = 1.04733 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98484 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.113e-04 Mass of water (kg) = 9.995e-01 @@ -2031,10 +2031,10 @@ H2O(g) -0.78 1.673e-01 0.192 2.643e-02 3.638e-02 9.949e-03 pH = 3.105 Charge balance pe = 14.893 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01265 Volume (L) = 1.04702 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98461 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.103e-04 Mass of water (kg) = 9.993e-01 @@ -2125,10 +2125,10 @@ H2O(g) -0.65 2.225e-01 0.146 3.638e-02 4.804e-02 1.166e-02 pH = 3.100 Charge balance pe = 14.877 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 291 + Specific Conductance (µS/cm, 25°C) = 235 Density (g/cm³) = 1.01322 Volume (L) = 1.04695 - Viscosity (mPa s) = 0.88942 + Viscosity (mPa s) = 0.98565 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.195e-04 Mass of water (kg) = 9.991e-01 @@ -2219,10 +2219,10 @@ H2O(g) -0.46 3.479e-01 0.095 4.804e-02 6.089e-02 1.285e-02 pH = 3.087 Charge balance pe = 14.952 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 300 + Specific Conductance (µS/cm, 25°C) = 241 Density (g/cm³) = 1.01485 Volume (L) = 1.04684 - Viscosity (mPa s) = 0.88911 + Viscosity (mPa s) = 0.98816 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.444e-04 Mass of water (kg) = 9.989e-01 @@ -2320,10 +2320,10 @@ H2O(g) -0.23 5.827e-01 0.059 6.089e-02 7.452e-02 1.363e-02 pH = 3.066 Charge balance pe = 16.352 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 315 + Specific Conductance (µS/cm, 25°C) = 251 Density (g/cm³) = 1.01770 Volume (L) = 1.04627 - Viscosity (mPa s) = 0.88860 + Viscosity (mPa s) = 0.99176 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.868e-04 Mass of water (kg) = 9.986e-01 @@ -2421,10 +2421,10 @@ H2O(g) -0.00 9.898e-01 0.037 7.452e-02 8.802e-02 1.350e-02 pH = 3.035 Charge balance pe = 16.382 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 340 + Specific Conductance (µS/cm, 25°C) = 268 Density (g/cm³) = 1.02227 Volume (L) = 1.04475 - Viscosity (mPa s) = 0.88795 + Viscosity (mPa s) = 0.99655 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.542e-04 Mass of water (kg) = 9.984e-01 @@ -2522,10 +2522,10 @@ H2O(g) 0.22 1.649e+00 0.025 8.802e-02 1.001e-01 1.207e-02 pH = 2.990 Charge balance pe = 16.423 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 380 + Specific Conductance (µS/cm, 25°C) = 295 Density (g/cm³) = 1.02925 Volume (L) = 1.04158 - Viscosity (mPa s) = 0.88749 + Viscosity (mPa s) = 1.00282 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.059e-03 Mass of water (kg) = 9.982e-01 @@ -2623,10 +2623,10 @@ H2O(g) 0.42 2.648e+00 0.018 1.001e-01 1.089e-01 8.804e-03 pH = 2.928 Charge balance pe = 16.480 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 444 + Specific Conductance (µS/cm, 25°C) = 339 Density (g/cm³) = 1.03960 Volume (L) = 1.03566 - Viscosity (mPa s) = 0.88824 + Viscosity (mPa s) = 1.01151 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.225e-03 Mass of water (kg) = 9.980e-01 @@ -2738,10 +2738,10 @@ H2O(g) -0.91 1.233e-01 0.985 0.000e+00 4.688e-03 4.688e-03 pH = 3.880 Charge balance pe = 12.091 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 69 + Specific Conductance (µS/cm, 50°C) = 68 Density (g/cm³) = 0.98836 Volume (L) = 1.01319 - Viscosity (mPa s) = 0.54659 + Viscosity (mPa s) = 0.54753 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.337e-04 Mass of water (kg) = 9.999e-01 @@ -2833,10 +2833,10 @@ H2O(g) -0.90 1.250e-01 0.972 4.688e-03 4.791e-03 1.026e-04 pH = 3.732 Charge balance pe = 12.282 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 97 + Specific Conductance (µS/cm, 50°C) = 96 Density (g/cm³) = 0.98873 Volume (L) = 1.01429 - Viscosity (mPa s) = 0.54664 + Viscosity (mPa s) = 0.54839 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.886e-04 Mass of water (kg) = 9.999e-01 @@ -2928,10 +2928,10 @@ H2O(g) -0.90 1.268e-01 0.959 4.791e-03 4.896e-03 1.054e-04 pH = 3.646 Charge balance pe = 12.390 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 118 + Specific Conductance (µS/cm, 50°C) = 117 Density (g/cm³) = 0.98908 Volume (L) = 1.01537 - Viscosity (mPa s) = 0.54669 + Viscosity (mPa s) = 0.54920 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.300e-04 Mass of water (kg) = 9.999e-01 @@ -3023,10 +3023,10 @@ H2O(g) -0.89 1.286e-01 0.946 4.896e-03 5.005e-03 1.082e-04 pH = 3.586 Charge balance pe = 12.330 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 135 + Specific Conductance (µS/cm, 50°C) = 134 Density (g/cm³) = 0.98943 Volume (L) = 1.01642 - Viscosity (mPa s) = 0.54673 + Viscosity (mPa s) = 0.54999 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.645e-04 Mass of water (kg) = 9.999e-01 @@ -3118,10 +3118,10 @@ H2O(g) -0.88 1.304e-01 0.933 5.005e-03 5.116e-03 1.111e-04 pH = 3.540 Charge balance pe = 2.077 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 150 + Specific Conductance (µS/cm, 50°C) = 148 Density (g/cm³) = 0.98977 Volume (L) = 1.01744 - Viscosity (mPa s) = 0.54678 + Viscosity (mPa s) = 0.55076 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.943e-04 Mass of water (kg) = 9.999e-01 @@ -3213,10 +3213,10 @@ H2O(g) -0.88 1.323e-01 0.921 5.116e-03 5.230e-03 1.141e-04 pH = 3.503 Charge balance pe = 1.985 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 163 + Specific Conductance (µS/cm, 50°C) = 161 Density (g/cm³) = 0.99011 Volume (L) = 1.01845 - Viscosity (mPa s) = 0.54682 + Viscosity (mPa s) = 0.55150 Activity of water = 0.997 Ionic strength (mol/kgw) = 3.209e-04 Mass of water (kg) = 9.999e-01 @@ -3308,10 +3308,10 @@ H2O(g) -0.87 1.341e-01 0.908 5.230e-03 5.347e-03 1.171e-04 pH = 3.472 Charge balance pe = 1.897 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 175 + Specific Conductance (µS/cm, 50°C) = 172 Density (g/cm³) = 0.99043 Volume (L) = 1.01943 - Viscosity (mPa s) = 0.54686 + Viscosity (mPa s) = 0.55222 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.449e-04 Mass of water (kg) = 9.999e-01 @@ -3403,10 +3403,10 @@ H2O(g) -0.87 1.361e-01 0.896 5.347e-03 5.467e-03 1.202e-04 pH = 3.445 Charge balance pe = 1.830 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 186 + Specific Conductance (µS/cm, 50°C) = 182 Density (g/cm³) = 0.99075 Volume (L) = 1.02038 - Viscosity (mPa s) = 0.54690 + Viscosity (mPa s) = 0.55293 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.668e-04 Mass of water (kg) = 9.999e-01 @@ -3498,10 +3498,10 @@ H2O(g) -0.86 1.380e-01 0.884 5.467e-03 5.590e-03 1.234e-04 pH = 3.422 Charge balance pe = 2.154 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 196 + Specific Conductance (µS/cm, 50°C) = 191 Density (g/cm³) = 0.99107 Volume (L) = 1.02131 - Viscosity (mPa s) = 0.54694 + Viscosity (mPa s) = 0.55361 Activity of water = 0.995 Ionic strength (mol/kgw) = 3.871e-04 Mass of water (kg) = 9.999e-01 @@ -3593,10 +3593,10 @@ H2O(g) -0.85 1.400e-01 0.872 5.590e-03 5.717e-03 1.266e-04 pH = 3.402 Charge balance pe = 12.503 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 205 + Specific Conductance (µS/cm, 50°C) = 200 Density (g/cm³) = 0.99137 Volume (L) = 1.02222 - Viscosity (mPa s) = 0.54698 + Viscosity (mPa s) = 0.55428 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.059e-04 Mass of water (kg) = 9.999e-01 @@ -3688,10 +3688,10 @@ H2O(g) -0.82 1.503e-01 0.815 5.717e-03 6.401e-03 6.842e-04 pH = 3.326 Charge balance pe = 2.379 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 242 + Specific Conductance (µS/cm, 50°C) = 233 Density (g/cm³) = 0.99281 Volume (L) = 1.02642 - Viscosity (mPa s) = 0.54717 + Viscosity (mPa s) = 0.55736 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.838e-04 Mass of water (kg) = 9.999e-01 @@ -3783,10 +3783,10 @@ H2O(g) -0.79 1.615e-01 0.761 6.401e-03 7.178e-03 7.764e-04 pH = 3.277 Charge balance pe = 2.062 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 270 + Specific Conductance (µS/cm, 50°C) = 258 Density (g/cm³) = 0.99409 Volume (L) = 1.03007 - Viscosity (mPa s) = 0.54734 + Viscosity (mPa s) = 0.56004 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.432e-04 Mass of water (kg) = 9.999e-01 @@ -3878,10 +3878,10 @@ H2O(g) -0.76 1.734e-01 0.711 7.178e-03 8.055e-03 8.777e-04 pH = 3.241 Charge balance pe = 2.021 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 291 + Specific Conductance (µS/cm, 50°C) = 276 Density (g/cm³) = 0.99521 Volume (L) = 1.03319 - Viscosity (mPa s) = 0.54750 + Viscosity (mPa s) = 0.56236 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.900e-04 Mass of water (kg) = 9.998e-01 @@ -3973,10 +3973,10 @@ H2O(g) -0.73 1.861e-01 0.665 8.055e-03 9.044e-03 9.881e-04 pH = 3.215 Charge balance pe = 2.116 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 308 + Specific Conductance (µS/cm, 50°C) = 290 Density (g/cm³) = 0.99620 Volume (L) = 1.03584 - Viscosity (mPa s) = 0.54765 + Viscosity (mPa s) = 0.56435 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.276e-04 Mass of water (kg) = 9.998e-01 @@ -4068,10 +4068,10 @@ H2O(g) -0.70 1.995e-01 0.622 9.044e-03 1.015e-02 1.107e-03 pH = 3.194 Charge balance pe = 12.736 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 322 + Specific Conductance (µS/cm, 50°C) = 301 Density (g/cm³) = 0.99706 Volume (L) = 1.03805 - Viscosity (mPa s) = 0.54779 + Viscosity (mPa s) = 0.56605 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.582e-04 Mass of water (kg) = 9.998e-01 @@ -4163,10 +4163,10 @@ H2O(g) -0.59 2.597e-01 0.483 1.015e-02 1.593e-02 5.777e-03 pH = 3.148 Charge balance pe = 12.918 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 354 + Specific Conductance (µS/cm, 50°C) = 327 Density (g/cm³) = 0.99945 Volume (L) = 1.04359 - Viscosity (mPa s) = 0.54823 + Viscosity (mPa s) = 0.57055 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.340e-04 Mass of water (kg) = 9.997e-01 @@ -4258,10 +4258,10 @@ H2O(g) -0.48 3.288e-01 0.385 1.593e-02 2.417e-02 8.247e-03 pH = 3.128 Charge balance pe = 12.930 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 369 + Specific Conductance (µS/cm, 50°C) = 338 Density (g/cm³) = 1.00075 Volume (L) = 1.04590 - Viscosity (mPa s) = 0.54852 + Viscosity (mPa s) = 0.57275 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.692e-04 Mass of water (kg) = 9.996e-01 @@ -4353,10 +4353,10 @@ H2O(g) -0.39 4.078e-01 0.312 2.417e-02 3.520e-02 1.103e-02 pH = 3.117 Charge balance pe = 12.987 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 377 + Specific Conductance (µS/cm, 50°C) = 345 Density (g/cm³) = 1.00152 Volume (L) = 1.04681 - Viscosity (mPa s) = 0.54873 + Viscosity (mPa s) = 0.57391 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.876e-04 Mass of water (kg) = 9.994e-01 @@ -4448,10 +4448,10 @@ H2O(g) -0.30 5.037e-01 0.254 3.520e-02 4.918e-02 1.398e-02 pH = 3.110 Charge balance pe = 12.889 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 383 + Specific Conductance (µS/cm, 50°C) = 349 Density (g/cm³) = 1.00214 Volume (L) = 1.04719 - Viscosity (mPa s) = 0.54892 + Viscosity (mPa s) = 0.57476 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.009e-04 Mass of water (kg) = 9.991e-01 @@ -4543,10 +4543,10 @@ H2O(g) -0.20 6.326e-01 0.204 4.918e-02 6.610e-02 1.692e-02 pH = 3.103 Charge balance pe = 2.856 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 390 + Specific Conductance (µS/cm, 50°C) = 354 Density (g/cm³) = 1.00289 Volume (L) = 1.04738 - Viscosity (mPa s) = 0.54917 + Viscosity (mPa s) = 0.57567 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.155e-04 Mass of water (kg) = 9.988e-01 @@ -4638,10 +4638,10 @@ H2O(g) -0.08 8.227e-01 0.159 6.610e-02 8.574e-02 1.964e-02 pH = 3.092 Charge balance pe = 12.935 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 398 + Specific Conductance (µS/cm, 50°C) = 361 Density (g/cm³) = 1.00401 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54958 + Viscosity (mPa s) = 0.57691 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.354e-04 Mass of water (kg) = 9.984e-01 @@ -4733,10 +4733,10 @@ H2O(g) 0.05 1.118e+00 0.119 8.574e-02 1.076e-01 2.184e-02 pH = 3.078 Charge balance pe = 2.523 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 411 + Specific Conductance (µS/cm, 50°C) = 371 Density (g/cm³) = 1.00574 Volume (L) = 1.04732 - Viscosity (mPa s) = 0.55026 + Viscosity (mPa s) = 0.57869 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.644e-04 Mass of water (kg) = 9.980e-01 @@ -4835,10 +4835,10 @@ H2O(g) 0.20 1.580e+00 0.087 1.076e-01 1.308e-01 2.317e-02 pH = 3.057 Charge balance pe = 14.351 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 431 + Specific Conductance (µS/cm, 50°C) = 387 Density (g/cm³) = 1.00839 Volume (L) = 1.04679 - Viscosity (mPa s) = 0.55137 + Viscosity (mPa s) = 0.58123 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.064e-04 Mass of water (kg) = 9.976e-01 @@ -4937,10 +4937,10 @@ H2O(g) 0.36 2.294e+00 0.063 1.308e-01 1.539e-01 2.318e-02 pH = 3.030 Charge balance pe = 14.377 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 459 + Specific Conductance (µS/cm, 50°C) = 410 Density (g/cm³) = 1.01233 Volume (L) = 1.04554 - Viscosity (mPa s) = 0.55314 + Viscosity (mPa s) = 0.58483 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.671e-04 Mass of water (kg) = 9.972e-01 @@ -5039,10 +5039,10 @@ H2O(g) 0.53 3.361e+00 0.047 1.539e-01 1.753e-01 2.135e-02 pH = 2.992 Charge balance pe = 14.412 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 499 + Specific Conductance (µS/cm, 50°C) = 443 Density (g/cm³) = 1.01807 Volume (L) = 1.04312 - Viscosity (mPa s) = 0.55596 + Viscosity (mPa s) = 0.58991 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.055e-03 Mass of water (kg) = 9.968e-01 @@ -5141,10 +5141,10 @@ H2O(g) 0.69 4.896e+00 0.036 1.753e-01 1.923e-01 1.705e-02 pH = 2.943 Charge balance pe = 14.458 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 559 + Specific Conductance (µS/cm, 50°C) = 492 Density (g/cm³) = 1.02629 Volume (L) = 1.03884 - Viscosity (mPa s) = 0.56047 + Viscosity (mPa s) = 0.59721 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.182e-03 Mass of water (kg) = 9.965e-01 @@ -5257,7 +5257,7 @@ H2O(g) -0.41 3.848e-01 0.982 0.000e+00 1.360e-02 1.360e-02 Specific Conductance (µS/cm, 75°C) = 72 Density (g/cm³) = 0.97512 Volume (L) = 1.02651 - Viscosity (mPa s) = 0.37749 + Viscosity (mPa s) = 0.37791 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.155e-04 Mass of water (kg) = 9.998e-01 @@ -5352,7 +5352,7 @@ H2O(g) -0.41 3.901e-01 0.969 1.360e-02 1.389e-02 2.871e-04 Specific Conductance (µS/cm, 75°C) = 101 Density (g/cm³) = 0.97541 Volume (L) = 1.02740 - Viscosity (mPa s) = 0.37756 + Viscosity (mPa s) = 0.37829 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.628e-04 Mass of water (kg) = 9.997e-01 @@ -5444,10 +5444,10 @@ H2O(g) -0.40 3.956e-01 0.957 1.389e-02 1.418e-02 2.935e-04 pH = 3.710 Charge balance pe = 10.772 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 124 + Specific Conductance (µS/cm, 75°C) = 123 Density (g/cm³) = 0.97571 Volume (L) = 1.02827 - Viscosity (mPa s) = 0.37763 + Viscosity (mPa s) = 0.37864 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.986e-04 Mass of water (kg) = 9.997e-01 @@ -5539,10 +5539,10 @@ H2O(g) -0.40 4.011e-01 0.945 1.418e-02 1.448e-02 3.001e-04 pH = 3.650 Charge balance pe = 10.831 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 142 + Specific Conductance (µS/cm, 75°C) = 141 Density (g/cm³) = 0.97600 Volume (L) = 1.02912 - Viscosity (mPa s) = 0.37769 + Viscosity (mPa s) = 0.37898 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.283e-04 Mass of water (kg) = 9.997e-01 @@ -5634,10 +5634,10 @@ H2O(g) -0.39 4.066e-01 0.932 1.448e-02 1.479e-02 3.067e-04 pH = 3.604 Charge balance pe = 10.934 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 158 + Specific Conductance (µS/cm, 75°C) = 156 Density (g/cm³) = 0.97628 Volume (L) = 1.02995 - Viscosity (mPa s) = 0.37775 + Viscosity (mPa s) = 0.37930 Activity of water = 0.998 Ionic strength (mol/kgw) = 2.541e-04 Mass of water (kg) = 9.997e-01 @@ -5729,10 +5729,10 @@ H2O(g) -0.38 4.123e-01 0.920 1.479e-02 1.510e-02 3.134e-04 pH = 3.566 Charge balance pe = 10.979 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 171 + Specific Conductance (µS/cm, 75°C) = 170 Density (g/cm³) = 0.97656 Volume (L) = 1.03077 - Viscosity (mPa s) = 0.37781 + Viscosity (mPa s) = 0.37961 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.770e-04 Mass of water (kg) = 9.997e-01 @@ -5824,10 +5824,10 @@ H2O(g) -0.38 4.180e-01 0.909 1.510e-02 1.542e-02 3.203e-04 pH = 3.535 Charge balance pe = 11.023 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 184 + Specific Conductance (µS/cm, 75°C) = 182 Density (g/cm³) = 0.97683 Volume (L) = 1.03156 - Viscosity (mPa s) = 0.37787 + Viscosity (mPa s) = 0.37992 Activity of water = 0.997 Ionic strength (mol/kgw) = 2.978e-04 Mass of water (kg) = 9.997e-01 @@ -5919,10 +5919,10 @@ H2O(g) -0.37 4.238e-01 0.897 1.542e-02 1.575e-02 3.273e-04 pH = 3.509 Charge balance pe = 11.041 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 195 + Specific Conductance (µS/cm, 75°C) = 193 Density (g/cm³) = 0.97710 Volume (L) = 1.03234 - Viscosity (mPa s) = 0.37793 + Viscosity (mPa s) = 0.38021 Activity of water = 0.997 Ionic strength (mol/kgw) = 3.167e-04 Mass of water (kg) = 9.997e-01 @@ -6014,10 +6014,10 @@ H2O(g) -0.37 4.297e-01 0.886 1.575e-02 1.608e-02 3.344e-04 pH = 3.486 Charge balance pe = 11.077 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 206 + Specific Conductance (µS/cm, 75°C) = 203 Density (g/cm³) = 0.97736 Volume (L) = 1.03310 - Viscosity (mPa s) = 0.37798 + Viscosity (mPa s) = 0.38050 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.342e-04 Mass of water (kg) = 9.997e-01 @@ -6109,10 +6109,10 @@ H2O(g) -0.36 4.356e-01 0.874 1.608e-02 1.642e-02 3.416e-04 pH = 3.465 Charge balance pe = 11.094 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 215 + Specific Conductance (µS/cm, 75°C) = 212 Density (g/cm³) = 0.97762 Volume (L) = 1.03384 - Viscosity (mPa s) = 0.37804 + Viscosity (mPa s) = 0.38077 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.505e-04 Mass of water (kg) = 9.997e-01 @@ -6204,10 +6204,10 @@ H2O(g) -0.33 4.665e-01 0.820 1.642e-02 1.824e-02 1.820e-03 pH = 3.389 Charge balance pe = 11.155 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 255 + Specific Conductance (µS/cm, 75°C) = 250 Density (g/cm³) = 0.97884 Volume (L) = 1.03727 - Viscosity (mPa s) = 0.37831 + Viscosity (mPa s) = 0.38207 Activity of water = 0.994 Ionic strength (mol/kgw) = 4.182e-04 Mass of water (kg) = 9.997e-01 @@ -6299,10 +6299,10 @@ H2O(g) -0.30 4.993e-01 0.769 1.824e-02 2.026e-02 2.018e-03 pH = 3.339 Charge balance pe = 11.219 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 285 + Specific Conductance (µS/cm, 75°C) = 278 Density (g/cm³) = 0.97995 Volume (L) = 1.04028 - Viscosity (mPa s) = 0.37856 + Viscosity (mPa s) = 0.38321 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.703e-04 Mass of water (kg) = 9.996e-01 @@ -6394,10 +6394,10 @@ H2O(g) -0.27 5.340e-01 0.722 2.026e-02 2.249e-02 2.228e-03 pH = 3.303 Charge balance pe = 11.238 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 308 + Specific Conductance (µS/cm, 75°C) = 300 Density (g/cm³) = 0.98095 Volume (L) = 1.04289 - Viscosity (mPa s) = 0.37880 + Viscosity (mPa s) = 0.38423 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.120e-04 Mass of water (kg) = 9.996e-01 @@ -6489,10 +6489,10 @@ H2O(g) -0.24 5.707e-01 0.679 2.249e-02 2.494e-02 2.451e-03 pH = 3.275 Charge balance pe = 11.253 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 327 + Specific Conductance (µS/cm, 75°C) = 317 Density (g/cm³) = 0.98185 Volume (L) = 1.04514 - Viscosity (mPa s) = 0.37903 + Viscosity (mPa s) = 0.38513 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.462e-04 Mass of water (kg) = 9.995e-01 @@ -6584,10 +6584,10 @@ H2O(g) -0.22 6.092e-01 0.638 2.494e-02 2.763e-02 2.685e-03 pH = 3.253 Charge balance pe = 11.281 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 343 + Specific Conductance (µS/cm, 75°C) = 331 Density (g/cm³) = 0.98266 Volume (L) = 1.04706 - Viscosity (mPa s) = 0.37924 + Viscosity (mPa s) = 0.38593 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.746e-04 Mass of water (kg) = 9.995e-01 @@ -6679,10 +6679,10 @@ H2O(g) -0.11 7.826e-01 0.504 2.763e-02 4.089e-02 1.327e-02 pH = 3.199 Charge balance pe = 11.330 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 384 + Specific Conductance (µS/cm, 75°C) = 368 Density (g/cm³) = 0.98518 Volume (L) = 1.05228 - Viscosity (mPa s) = 0.37997 + Viscosity (mPa s) = 0.38834 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.516e-04 Mass of water (kg) = 9.993e-01 @@ -6774,10 +6774,10 @@ H2O(g) -0.00 9.886e-01 0.404 4.089e-02 5.853e-02 1.764e-02 pH = 3.171 Charge balance pe = 11.382 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 407 + Specific Conductance (µS/cm, 75°C) = 388 Density (g/cm³) = 0.98693 Volume (L) = 1.05492 - Viscosity (mPa s) = 0.38056 + Viscosity (mPa s) = 0.38993 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.960e-04 Mass of water (kg) = 9.989e-01 @@ -6869,10 +6869,10 @@ H2O(g) 0.09 1.237e+00 0.326 5.853e-02 8.075e-02 2.222e-02 pH = 3.153 Charge balance pe = 11.424 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 423 + Specific Conductance (µS/cm, 75°C) = 402 Density (g/cm³) = 0.98832 Volume (L) = 1.05626 - Viscosity (mPa s) = 0.38108 + Viscosity (mPa s) = 0.39113 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.266e-04 Mass of water (kg) = 9.985e-01 @@ -6964,10 +6964,10 @@ H2O(g) 0.19 1.548e+00 0.264 8.075e-02 1.075e-01 2.676e-02 pH = 3.138 Charge balance pe = 11.413 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 436 + Specific Conductance (µS/cm, 75°C) = 413 Density (g/cm³) = 0.98964 Volume (L) = 1.05694 - Viscosity (mPa s) = 0.38163 + Viscosity (mPa s) = 0.39223 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.527e-04 Mass of water (kg) = 9.980e-01 @@ -7059,10 +7059,10 @@ H2O(g) 0.29 1.961e+00 0.212 1.075e-01 1.384e-01 3.093e-02 pH = 3.122 Charge balance pe = 11.421 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 450 + Specific Conductance (µS/cm, 75°C) = 426 Density (g/cm³) = 0.99116 Volume (L) = 1.05724 - Viscosity (mPa s) = 0.38232 + Viscosity (mPa s) = 0.39345 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.797e-04 Mass of water (kg) = 9.975e-01 @@ -7154,10 +7154,10 @@ H2O(g) 0.40 2.529e+00 0.168 1.384e-01 1.728e-01 3.434e-02 pH = 3.105 Charge balance pe = 11.443 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 467 + Specific Conductance (µS/cm, 75°C) = 440 Density (g/cm³) = 0.99310 Volume (L) = 1.05722 - Viscosity (mPa s) = 0.38325 + Viscosity (mPa s) = 0.39499 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.118e-04 Mass of water (kg) = 9.969e-01 @@ -7249,10 +7249,10 @@ H2O(g) 0.52 3.331e+00 0.131 1.728e-01 2.093e-01 3.654e-02 pH = 3.084 Charge balance pe = 11.488 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 488 + Specific Conductance (µS/cm, 75°C) = 459 Density (g/cm³) = 0.99574 Volume (L) = 1.05682 - Viscosity (mPa s) = 0.38458 + Viscosity (mPa s) = 0.39703 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.526e-04 Mass of water (kg) = 9.962e-01 @@ -7344,10 +7344,10 @@ H2O(g) 0.65 4.469e+00 0.102 2.093e-01 2.463e-01 3.695e-02 pH = 3.058 Charge balance pe = 11.509 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 517 + Specific Conductance (µS/cm, 75°C) = 484 Density (g/cm³) = 0.99937 Volume (L) = 1.05585 - Viscosity (mPa s) = 0.38650 + Viscosity (mPa s) = 0.39982 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.063e-04 Mass of water (kg) = 9.955e-01 @@ -7446,10 +7446,10 @@ H2O(g) 0.78 6.065e+00 0.080 2.463e-01 2.812e-01 3.495e-02 pH = 3.025 Charge balance pe = 12.726 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 555 + Specific Conductance (µS/cm, 75°C) = 517 Density (g/cm³) = 1.00439 Volume (L) = 1.05404 - Viscosity (mPa s) = 0.38930 + Viscosity (mPa s) = 0.40368 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.787e-04 Mass of water (kg) = 9.949e-01 @@ -7548,10 +7548,10 @@ H2O(g) 0.92 8.257e+00 0.065 2.812e-01 3.110e-01 2.980e-02 pH = 2.984 Charge balance pe = 12.765 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 608 + Specific Conductance (µS/cm, 75°C) = 563 Density (g/cm³) = 1.01129 Volume (L) = 1.05096 - Viscosity (mPa s) = 0.39338 + Viscosity (mPa s) = 0.40907 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.078e-03 Mass of water (kg) = 9.944e-01 @@ -7650,10 +7650,10 @@ H2O(g) 1.05 1.117e+01 0.055 3.110e-01 3.317e-01 2.071e-02 pH = 2.932 Charge balance pe = 12.813 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 681 + Specific Conductance (µS/cm, 75°C) = 627 Density (g/cm³) = 1.02077 Volume (L) = 1.04599 - Viscosity (mPa s) = 0.39940 + Viscosity (mPa s) = 0.41672 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.216e-03 Mass of water (kg) = 9.940e-01 diff --git a/mytest/y_H2O_101.sel b/mytest/y_H2O_101.sel index 36c3c3041..c1c2125c8 100644 --- a/mytest/y_H2O_101.sel +++ b/mytest/y_H2O_101.sel @@ -1,81 +1,81 @@ Mu SC 0.000000100661 0.0546997340 - 0.000143303089 55.7116572295 - 0.000202273236 78.3498936297 - 0.000247007738 95.3586022070 - 0.000284248757 109.3892534824 - 0.000316622796 121.4789181461 - 0.000345483723 132.1644531761 - 0.000371639593 141.7677297534 - 0.000395619260 150.5004027060 - 0.000417791652 158.5108458804 - 0.000438426517 165.9080897792 - 0.000524362608 196.0715304206 - 0.000590127358 218.3977686531 - 0.000641983282 235.5091491975 - 0.000683291823 248.8234882006 - 0.000716196444 259.2322609950 - 0.000790160449 282.0808930267 - 0.000811747583 288.6896060214 - 0.000813370655 289.1939064413 - 0.000812606496 288.9740609273 - 0.000811296468 288.5978392195 - 0.000810301334 288.3109308230 - 0.000819509829 291.5300032487 - 0.000844428167 300.3914350982 - 0.000886830766 315.7894884119 - 0.000954203238 340.7601376581 - 0.001059153643 380.4408967989 - 0.001224591573 444.1565440634 - 0.000133711704 69.2110980090 - 0.000188553728 97.2989746714 - 0.000230037393 118.3820857918 - 0.000264476331 135.7588062925 - 0.000294334216 150.7200677948 - 0.000320883319 163.9346324801 - 0.000344884513 175.8037675806 - 0.000366836898 186.5915701586 - 0.000387089495 196.4833497762 - 0.000405898182 205.6154132471 - 0.000483837326 242.8550581873 - 0.000543169031 270.4997134914 - 0.000589991972 291.8556065216 - 0.000627617947 308.7145117607 - 0.000658150898 322.1985574563 - 0.000733977596 354.9919522256 - 0.000769159391 369.9838801258 - 0.000787582139 377.8619582941 - 0.000800910798 383.6265980989 - 0.000815479856 390.0145404595 - 0.000835447525 398.8900545661 - 0.000864412896 411.9336703756 - 0.000906449473 431.0962330110 - 0.000967074725 459.0485259848 - 0.001054578462 499.8137579438 - 0.001182329988 559.8570403299 - 0.000115484747 72.5107848133 - 0.000162823080 101.9511998122 - 0.000198623457 124.0665590197 - 0.000228342808 142.3105365490 - 0.000254111588 158.0347079980 - 0.000277030613 171.9391994787 - 0.000297758648 184.4440798201 - 0.000316728094 195.8257993841 - 0.000334241535 206.2783206552 - 0.000350520948 215.9443001705 - 0.000418230759 255.5885926798 - 0.000470282987 285.3969574909 - 0.000511971261 308.8162985511 - 0.000546150664 327.7037151360 - 0.000574610378 343.2122380754 - 0.000651566474 384.1956627967 - 0.000696043395 407.3594045040 - 0.000726614816 423.1730450081 - 0.000752654493 436.6529869750 - 0.000779701219 450.7111788573 - 0.000811766189 467.4640724036 - 0.000852556683 488.8869287961 - 0.000906322647 517.2557218959 - 0.000978693048 555.5788613940 - 0.001077804904 608.1667551110 - 0.001216154077 681.5235244996 + 0.000143303089 55.2767878048 + 0.000202273236 77.1667360577 + 0.000247007738 93.2476905988 + 0.000284248757 106.2233939851 + 0.000316622796 117.1629140290 + 0.000345483723 126.6256300007 + 0.000371639593 134.9504658748 + 0.000395619260 142.3625758239 + 0.000417791652 149.0213411938 + 0.000438426517 155.0449557978 + 0.000524362608 178.2465886275 + 0.000590127358 193.8641517428 + 0.000641983282 204.8490259889 + 0.000683291823 212.7759458147 + 0.000716196444 218.5906184415 + 0.000790160449 230.2677431960 + 0.000811747583 233.4713173392 + 0.000813370655 233.7230887126 + 0.000812606496 233.6343019238 + 0.000811296468 233.4831045804 + 0.000810301334 233.3662596673 + 0.000819509829 235.3981599633 + 0.000844428167 241.1197907309 + 0.000886830766 251.2989333727 + 0.000954203238 268.1103028514 + 0.001059153643 295.2060167481 + 0.001224591573 339.2236084748 + 0.000133711704 68.9692881541 + 0.000188553728 96.6687152082 + 0.000230037393 117.2793316938 + 0.000264476331 134.1238132751 + 0.000294334216 148.5079435674 + 0.000320883319 161.1109324388 + 0.000344884513 172.3419570178 + 0.000366836898 182.4713760162 + 0.000387089495 191.6896048036 + 0.000405898182 200.1371998156 + 0.000483837326 233.8998435232 + 0.000543169031 258.1649281768 + 0.000589991972 276.3882128981 + 0.000627617947 290.4305626351 + 0.000658150898 301.4365142751 + 0.000733977596 327.3881826316 + 0.000769159391 338.9466703123 + 0.000787582139 345.0104120805 + 0.000800910798 349.4850182226 + 0.000815479856 354.4988318160 + 0.000835447525 361.5395244219 + 0.000864412896 371.9824446495 + 0.000906449473 387.4409537003 + 0.000967074725 410.1242234806 + 0.001054578462 443.3502196583 + 0.001182329988 492.4365656643 + 0.000115484747 72.3526423586 + 0.000162823080 101.5647727589 + 0.000198623457 123.4118774796 + 0.000228342808 141.3592090066 + 0.000254111588 156.7653766503 + 0.000277030613 170.3354259167 + 0.000297758648 182.4931332892 + 0.000316728094 193.5178720650 + 0.000334241535 203.6059791512 + 0.000350520948 212.9020805935 + 0.000418230759 250.6653320579 + 0.000470282987 278.6263895685 + 0.000511971261 300.3007020847 + 0.000546150664 317.5776690423 + 0.000574610378 331.6220519364 + 0.000651566474 368.1143895821 + 0.000696043395 388.3831198200 + 0.000726614816 402.1295812759 + 0.000752654493 413.8326083596 + 0.000779701219 426.0495585829 + 0.000811766189 440.6321944538 + 0.000852556683 459.3084563155 + 0.000906322647 484.0654282926 + 0.000978693048 517.5181309982 + 0.001077804904 563.3908926344 + 0.001216154077 627.2638729602 diff --git a/mytest/zero_modify.out b/mytest/zero_modify.out index 70b6320cd..f0f872570 100644 --- a/mytest/zero_modify.out +++ b/mytest/zero_modify.out @@ -59,7 +59,7 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 1.000e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.376e-19 + Total alkalinity (eq/kg) = -2.282e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -2.619e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -82,7 +82,6 @@ H(0) 1.446e-25 H2 7.232e-26 7.249e-26 -25.141 -25.140 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.033e-03 -2.000 -2.044 -0.044 -1.38 - NaOH 9.012e-20 9.033e-20 -19.045 -19.044 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.102 -42.101 0.001 30.40 @@ -154,7 +153,7 @@ X 2.000e+00 mol ----------------------------Description of solution---------------------------- pH = 6.984 Charge balance - pe = 10.921 Adjusted to redox equilibrium + pe = 10.926 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 1209 Density (g/cm³) = 0.99750 Volume (L) = 1.00306 @@ -162,7 +161,7 @@ X 2.000e+00 mol Activity of water = 1.000 Ionic strength (mol/kgw) = 1.461e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.269e-16 + Total alkalinity (eq/kg) = -1.812e-16 Temperature (°C) = 25.00 Electrical balance (eq) = -2.618e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -184,22 +183,21 @@ Ca 4.606e-03 Cl 1.000e-02 Cl- 1.000e-02 8.838e-03 -2.000 -2.054 -0.054 18.16 HCl 3.116e-10 3.161e-10 -9.506 -9.500 0.006 (0) -H(0) 2.187e-39 - H2 1.094e-39 1.097e-39 -38.961 -38.960 0.001 28.61 +H(0) 2.141e-39 + H2 1.071e-39 1.074e-39 -38.970 -38.969 0.001 28.61 Na 7.871e-04 Na+ 7.871e-04 6.986e-04 -3.104 -3.156 -0.052 -1.35 - NaOH 6.785e-21 6.808e-21 -20.168 -20.167 0.001 (0) -O(0) 6.897e-15 - O2 3.448e-15 3.460e-15 -14.462 -14.461 0.001 30.40 +O(0) 7.198e-15 + O2 3.599e-15 3.611e-15 -14.444 -14.442 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.86 -38.96 -3.10 H2 + H2(g) -35.87 -38.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -6.78 -5.21 1.57 NaCl - O2(g) -11.57 -14.46 -2.89 O2 + O2(g) -11.55 -14.44 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -301,7 +299,6 @@ H(0) 7.871e-04 H2 3.936e-04 3.937e-04 -3.405 -3.405 0.000 28.61 Na 2.085e-04 Na+ 2.085e-04 2.010e-04 -3.681 -3.697 -0.016 -1.48 - NaOH 1.518e-17 1.519e-17 -16.819 -16.819 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -85.570 -85.570 0.000 30.40 diff --git a/mytest/zero_modify_101.sel b/mytest/zero_modify_101.sel index 53eb23e9e..c752e5cd2 100644 --- a/mytest/zero_modify_101.sel +++ b/mytest/zero_modify_101.sel @@ -1,4 +1,4 @@ Mu SC - 0.010000110789 1177.7202268524 - 0.014606537240 1209.2176967853 - 0.001070096396 195.2031687260 + 0.010000110789 1177.7202259049 + 0.014606537240 1209.2176946675 + 0.001070096396 195.2030477552 diff --git a/mytest/zeta.out b/mytest/zeta.out index 23a204a6d..1d44c5f64 100644 --- a/mytest/zeta.out +++ b/mytest/zeta.out @@ -246,14 +246,14 @@ Phase SI log IAP log K(T, P) Initial Final Delta Fix_H+ -11.00 -11.00 0.00 NaOH is reactant 1.000e+01 9.999e+00 -1.131e-03 -NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -1.105e-12 +NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -1.103e-12 ------------------------------Surface composition------------------------------ Diffuse Double Layer Surface-Complexation Model Q - -3.176e-22 Surface + diffuse layer charge, eq + 1.059e-22 Surface + diffuse layer charge, eq -5.274e-07 Surface charge, eq -7.270e-01 sigma, C/m² -2.449e-01 psi, V @@ -329,12 +329,11 @@ Cl 1.001e-02 Cl- 1.001e-02 8.968e-03 -2.000 -2.047 -0.048 18.14 HCl 3.056e-14 3.089e-14 -13.515 -13.510 0.005 (0) H(0) 1.649e-39 - H2 8.247e-40 8.269e-40 -39.084 -39.083 0.001 28.61 + H2 8.247e-40 8.268e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 8.963e-03 -2.000 -2.048 -0.048 9.07 Na 1.130e-03 Na+ 1.130e-03 1.016e-03 -2.947 -2.993 -0.046 -1.37 - NaOH 1.026e-16 1.028e-16 -15.989 -15.988 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.093e-15 -14.216 -14.215 0.001 30.40 @@ -397,7 +396,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 9.805e-11 Diffuse Double Layer Surface-Complexation Model Q - -7.412e-20 Surface + diffuse layer charge, eq + -7.422e-20 Surface + diffuse layer charge, eq -5.216e-07 Surface charge, eq -7.190e-01 sigma, C/m² -2.455e-01 psi, V @@ -478,7 +477,6 @@ K 1.001e-02 K+ 1.001e-02 8.983e-03 -2.000 -2.047 -0.047 9.07 Na 6.345e-04 Na+ 6.345e-04 5.716e-04 -3.198 -3.243 -0.045 -1.37 - NaOH 3.244e-17 3.252e-17 -16.489 -16.488 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -541,7 +539,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 9.654e-11 Diffuse Double Layer Surface-Complexation Model Q - -1.218e-19 Surface + diffuse layer charge, eq + -1.237e-19 Surface + diffuse layer charge, eq -5.120e-07 Surface charge, eq -7.058e-01 sigma, C/m² -2.452e-01 psi, V @@ -617,12 +615,11 @@ Cl 1.001e-02 Cl- 1.001e-02 8.999e-03 -2.000 -2.046 -0.046 18.14 HCl 9.704e-14 9.803e-14 -13.013 -13.009 0.004 (0) H(0) 1.650e-39 - H2 8.250e-40 8.269e-40 -39.084 -39.083 0.001 28.61 + H2 8.250e-40 8.270e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 8.994e-03 -2.000 -2.046 -0.046 9.07 Na 3.566e-04 Na+ 3.566e-04 3.216e-04 -3.448 -3.493 -0.045 -1.38 - NaOH 1.027e-17 1.029e-17 -16.989 -16.988 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -685,7 +682,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 9.385e-11 Diffuse Double Layer Surface-Complexation Model Q - -7.666e-20 Surface + diffuse layer charge, eq + -7.719e-20 Surface + diffuse layer charge, eq -4.972e-07 Surface charge, eq -6.854e-01 sigma, C/m² -2.441e-01 psi, V @@ -766,7 +763,6 @@ K 1.001e-02 K+ 1.001e-02 9.001e-03 -2.000 -2.046 -0.046 9.07 Na 2.006e-04 Na+ 2.006e-04 1.810e-04 -3.698 -3.742 -0.045 -1.38 - NaOH 3.250e-18 3.257e-18 -17.488 -17.487 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -829,7 +825,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 8.908e-11 Diffuse Double Layer Surface-Complexation Model Q - -4.267e-20 Surface + diffuse layer charge, eq + -4.463e-20 Surface + diffuse layer charge, eq -4.759e-07 Surface charge, eq -6.560e-01 sigma, C/m² -2.421e-01 psi, V @@ -910,7 +906,6 @@ K 1.001e-02 K+ 1.001e-02 9.005e-03 -2.000 -2.046 -0.046 9.07 Na 1.130e-04 Na+ 1.130e-04 1.020e-04 -3.947 -3.991 -0.044 -1.38 - NaOH 1.029e-18 1.032e-18 -17.987 -17.986 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -1049,14 +1044,13 @@ Cl 1.001e-02 Cl- 1.001e-02 9.011e-03 -2.000 -2.045 -0.046 18.14 HCl 5.466e-13 5.520e-13 -12.262 -12.258 0.004 (0) H(0) 1.650e-39 - H2 8.250e-40 8.270e-40 -39.084 -39.083 0.001 28.61 + H2 8.251e-40 8.270e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 9.007e-03 -2.000 -2.045 -0.046 9.07 Na 6.368e-05 Na+ 6.368e-05 5.751e-05 -4.196 -4.240 -0.044 -1.38 - NaOH 3.265e-19 3.272e-19 -18.486 -18.485 0.001 (0) O(0) 1.215e-14 - O2 6.077e-15 6.092e-15 -14.216 -14.215 0.001 30.40 + O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -1198,7 +1192,6 @@ K 1.001e-02 K+ 1.001e-02 9.008e-03 -2.000 -2.045 -0.046 9.07 Na 3.597e-05 Na+ 3.597e-05 3.249e-05 -4.444 -4.488 -0.044 -1.38 - NaOH 1.037e-19 1.039e-19 -18.984 -18.983 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -1261,7 +1254,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 3.950e-11 Diffuse Double Layer Surface-Complexation Model Q - 1.647e-19 Surface + diffuse layer charge, eq + 1.645e-19 Surface + diffuse layer charge, eq -3.734e-07 Surface charge, eq -5.147e-01 sigma, C/m² -2.298e-01 psi, V @@ -1337,12 +1330,11 @@ Cl 1.001e-02 Cl- 1.001e-02 9.013e-03 -2.000 -2.045 -0.045 18.14 HCl 1.729e-12 1.746e-12 -11.762 -11.758 0.004 (0) H(0) 1.650e-39 - H2 8.251e-40 8.270e-40 -39.083 -39.082 0.001 28.61 + H2 8.251e-40 8.270e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 9.009e-03 -2.000 -2.045 -0.046 9.07 Na 2.037e-05 Na+ 2.037e-05 1.840e-05 -4.691 -4.735 -0.044 -1.38 - NaOH 3.302e-20 3.310e-20 -19.481 -19.480 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -1486,7 +1478,6 @@ K 1.001e-02 K+ 1.001e-02 9.009e-03 -2.000 -2.045 -0.046 9.07 Na 1.157e-05 Na+ 1.157e-05 1.045e-05 -4.937 -4.981 -0.044 -1.38 - NaOH 1.055e-20 1.058e-20 -19.977 -19.976 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -1630,7 +1621,6 @@ K 1.001e-02 K+ 1.001e-02 9.009e-03 -2.000 -2.045 -0.046 9.07 Na 6.612e-06 Na+ 6.612e-06 5.972e-06 -5.180 -5.224 -0.044 -1.38 - NaOH 3.390e-21 3.398e-21 -20.470 -20.469 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -1774,7 +1764,6 @@ K 1.001e-02 K+ 1.001e-02 9.009e-03 -2.000 -2.045 -0.046 9.07 Na 3.805e-06 Na+ 3.805e-06 3.437e-06 -5.420 -5.464 -0.044 -1.38 - NaOH 1.097e-21 1.100e-21 -20.960 -20.959 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -1837,7 +1826,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -4.573e-10 Diffuse Double Layer Surface-Complexation Model Q - 1.719e-19 Surface + diffuse layer charge, eq + 1.717e-19 Surface + diffuse layer charge, eq -2.170e-07 Surface charge, eq -2.992e-01 sigma, C/m² -2.020e-01 psi, V @@ -1918,7 +1907,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 2.211e-06 Na+ 2.211e-06 1.997e-06 -5.655 -5.700 -0.044 -1.38 - NaOH 3.585e-22 3.593e-22 -21.446 -21.445 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -2062,7 +2050,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 1.299e-06 Na+ 1.299e-06 1.174e-06 -5.886 -5.931 -0.044 -1.38 - NaOH 1.185e-22 1.187e-22 -21.926 -21.925 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -2206,7 +2193,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 7.709e-07 Na+ 7.709e-07 6.964e-07 -6.113 -6.157 -0.044 -1.38 - NaOH 3.953e-23 3.962e-23 -22.403 -22.402 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -2350,7 +2336,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 4.555e-07 Na+ 4.555e-07 4.114e-07 -6.342 -6.386 -0.044 -1.38 - NaOH 1.313e-23 1.316e-23 -22.882 -22.881 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -2494,7 +2479,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 2.538e-07 Na+ 2.538e-07 2.293e-07 -6.596 -6.640 -0.044 -1.38 - NaOH 4.115e-24 4.125e-24 -23.386 -23.385 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -2638,7 +2622,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 1.068e-07 Na+ 1.068e-07 9.647e-08 -6.971 -7.016 -0.044 -1.38 - NaOH 9.739e-25 9.761e-25 -24.011 -24.010 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -2701,7 +2684,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -7.181e-08 Diffuse Double Layer Surface-Complexation Model Q - -5.413e-20 Surface + diffuse layer charge, eq + -5.417e-20 Surface + diffuse layer charge, eq -7.726e-08 Surface charge, eq -1.065e-01 sigma, C/m² -1.491e-01 psi, V @@ -2782,9 +2765,8 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 1.713e-08 Na+ 1.713e-08 1.548e-08 -7.766 -7.810 -0.044 -1.38 - NaOH 8.786e-26 8.806e-26 -25.056 -25.055 0.001 (0) -O(0) 1.216e-14 - O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 +O(0) 1.215e-14 + O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -2926,7 +2908,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 4.884e-09 Na+ 4.884e-09 4.411e-09 -8.311 -8.355 -0.044 -1.38 - NaOH 1.408e-26 1.411e-26 -25.851 -25.850 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -3070,7 +3051,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 2.255e-09 Na+ 2.255e-09 2.037e-09 -8.647 -8.691 -0.044 -1.38 - NaOH 3.656e-27 3.665e-27 -26.437 -26.436 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -3133,7 +3113,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -1.044e-06 Diffuse Double Layer Surface-Complexation Model Q - 9.845e-20 Surface + diffuse layer charge, eq + 9.829e-20 Surface + diffuse layer charge, eq -4.415e-08 Surface charge, eq -6.086e-02 sigma, C/m² -1.207e-01 psi, V @@ -3209,12 +3189,11 @@ Cl 1.001e-02 Cl- 1.001e-02 9.014e-03 -2.000 -2.045 -0.045 18.14 HCl 3.075e-09 3.105e-09 -8.512 -8.508 0.004 (0) H(0) 1.650e-39 - H2 8.250e-40 8.270e-40 -39.084 -39.083 0.001 28.61 + H2 8.250e-40 8.269e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 1.180e-09 Na+ 1.180e-09 1.066e-09 -8.928 -8.972 -0.044 -1.38 - NaOH 1.076e-27 1.079e-27 -26.968 -26.967 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -3277,7 +3256,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -1.910e-06 Diffuse Double Layer Surface-Complexation Model Q - 5.777e-21 Surface + diffuse layer charge, eq + 5.784e-21 Surface + diffuse layer charge, eq -3.645e-08 Surface charge, eq -5.024e-02 sigma, C/m² -1.110e-01 psi, V @@ -3358,7 +3337,6 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 6.449e-10 Na+ 6.449e-10 5.825e-10 -9.191 -9.235 -0.044 -1.38 - NaOH 3.307e-28 3.315e-28 -27.481 -27.480 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -3497,12 +3475,11 @@ Cl 1.001e-02 Cl- 1.001e-02 9.014e-03 -2.000 -2.045 -0.045 18.14 HCl 9.723e-09 9.819e-09 -8.012 -8.008 0.004 (0) H(0) 1.650e-39 - H2 8.250e-40 8.269e-40 -39.084 -39.083 0.001 28.61 + H2 8.251e-40 8.270e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 3.583e-10 Na+ 3.583e-10 3.236e-10 -9.446 -9.490 -0.044 -1.38 - NaOH 1.033e-28 1.035e-28 -27.986 -27.985 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -3565,7 +3542,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -6.148e-06 Diffuse Double Layer Surface-Complexation Model Q - -5.230e-19 Surface + diffuse layer charge, eq + -5.229e-19 Surface + diffuse layer charge, eq -2.458e-08 Surface charge, eq -3.389e-02 sigma, C/m² -9.156e-02 psi, V @@ -3646,9 +3623,8 @@ K 1.001e-02 K+ 1.001e-02 9.010e-03 -2.000 -2.045 -0.046 9.07 Na 2.004e-10 Na+ 2.004e-10 1.810e-10 -9.698 -9.742 -0.044 -1.38 - NaOH 3.249e-29 3.257e-29 -28.488 -28.487 0.001 (0) -O(0) 1.215e-14 - O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 +O(0) 1.216e-14 + O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -3709,7 +3685,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -1.096e-05 Diffuse Double Layer Surface-Complexation Model Q - -5.966e-20 Surface + diffuse layer charge, eq + -5.965e-20 Surface + diffuse layer charge, eq -2.003e-08 Surface charge, eq -2.762e-02 sigma, C/m² -8.174e-02 psi, V @@ -3790,7 +3766,6 @@ K 1.001e-02 K+ 1.001e-02 9.009e-03 -2.000 -2.045 -0.046 9.07 Na 1.124e-10 Na+ 1.124e-10 1.016e-10 -9.949 -9.993 -0.044 -1.38 - NaOH 1.025e-29 1.028e-29 -28.989 -28.988 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -3934,7 +3909,6 @@ K 1.001e-02 K+ 1.001e-02 9.009e-03 -2.000 -2.045 -0.046 9.07 Na 6.316e-11 Na+ 6.316e-11 5.705e-11 -10.200 -10.244 -0.044 -1.38 - NaOH 3.238e-30 3.246e-30 -29.490 -29.489 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -3997,7 +3971,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -3.471e-05 Diffuse Double Layer Surface-Complexation Model Q - -2.157e-19 Surface + diffuse layer charge, eq + -2.159e-19 Surface + diffuse layer charge, eq -1.293e-08 Surface charge, eq -1.783e-02 sigma, C/m² -6.185e-02 psi, V @@ -4078,7 +4052,6 @@ K 1.001e-02 K+ 1.001e-02 9.008e-03 -2.000 -2.045 -0.046 9.07 Na 3.550e-11 Na+ 3.550e-11 3.207e-11 -10.450 -10.494 -0.044 -1.38 - NaOH 1.024e-30 1.026e-30 -29.990 -29.989 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -4134,7 +4107,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta Fix_H+ -4.25 -4.25 0.00 NaOH is reactant 1.000e+01 1.000e+01 6.175e-05 -NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -6.175e-05 +NaBr -0.00 -15.00 -15.00 1.000e+01 1.000e+01 -6.175e-05 ------------------------------Surface composition------------------------------ @@ -4222,7 +4195,6 @@ K 1.001e-02 K+ 1.001e-02 9.007e-03 -2.000 -2.045 -0.046 9.07 Na 1.996e-11 Na+ 1.996e-11 1.803e-11 -10.700 -10.744 -0.044 -1.38 - NaOH 3.236e-31 3.244e-31 -30.490 -30.489 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -4234,7 +4206,7 @@ O(0) 1.216e-14 H2(g) -35.98 -39.08 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -14.36 -12.79 1.57 NaCl - NaBr 0.00 -15.00 -15.00 NaBr + NaBr -0.00 -15.00 -15.00 NaBr O2(g) -11.32 -14.22 -2.89 O2 Sylvite -4.99 -4.09 0.90 KCl @@ -4285,7 +4257,7 @@ NaBr 0.00 -15.00 -15.00 1.000e+01 1.000e+01 -1.098e-04 Diffuse Double Layer Surface-Complexation Model Q - -1.588e-18 Surface + diffuse layer charge, eq + -1.587e-18 Surface + diffuse layer charge, eq -7.708e-09 Surface charge, eq -1.063e-02 sigma, C/m² -4.158e-02 psi, V @@ -4361,14 +4333,13 @@ Cl 1.001e-02 Cl- 1.001e-02 9.009e-03 -2.000 -2.045 -0.046 18.14 HCl 3.073e-07 3.103e-07 -6.512 -6.508 0.004 (0) H(0) 1.650e-39 - H2 8.250e-40 8.270e-40 -39.084 -39.083 0.001 28.61 + H2 8.250e-40 8.269e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 9.005e-03 -2.000 -2.046 -0.046 9.07 Na 1.123e-11 Na+ 1.123e-11 1.014e-11 -10.950 -10.994 -0.044 -1.38 - NaOH 1.023e-31 1.026e-31 -30.990 -30.989 0.001 (0) -O(0) 1.215e-14 - O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 +O(0) 1.216e-14 + O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -4510,7 +4481,6 @@ K 1.001e-02 K+ 1.001e-02 9.002e-03 -2.000 -2.046 -0.046 9.07 Na 6.317e-12 Na+ 6.317e-12 5.701e-12 -11.199 -11.244 -0.045 -1.38 - NaOH 3.236e-32 3.244e-32 -31.490 -31.489 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.091e-15 -14.216 -14.215 0.001 30.40 @@ -4654,7 +4624,6 @@ K 1.001e-02 K+ 1.001e-02 8.995e-03 -2.000 -2.046 -0.046 9.07 Na 3.555e-12 Na+ 3.555e-12 3.207e-12 -11.449 -11.494 -0.045 -1.38 - NaOH 1.024e-32 1.026e-32 -31.990 -31.989 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.092e-15 -14.216 -14.215 0.001 30.40 @@ -4798,7 +4767,6 @@ K 1.001e-02 K+ 1.001e-02 8.984e-03 -2.000 -2.047 -0.047 9.07 Na 2.002e-12 Na+ 2.002e-12 1.804e-12 -11.698 -11.744 -0.045 -1.38 - NaOH 3.238e-33 3.246e-33 -32.490 -32.489 0.001 (0) O(0) 1.216e-14 O2 6.078e-15 6.093e-15 -14.216 -14.215 0.001 30.40 @@ -4942,7 +4910,6 @@ K 1.001e-02 K+ 1.001e-02 8.965e-03 -2.000 -2.047 -0.048 9.07 Na 1.129e-12 Na+ 1.129e-12 1.015e-12 -11.947 -11.993 -0.046 -1.37 - NaOH 1.024e-33 1.027e-33 -32.990 -32.988 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.093e-15 -14.216 -14.215 0.001 30.40 @@ -5081,14 +5048,13 @@ Cl 1.001e-02 Cl- 1.000e-02 8.932e-03 -2.000 -2.049 -0.049 18.15 HCl 5.408e-06 5.472e-06 -5.267 -5.262 0.005 (0) H(0) 1.649e-39 - H2 8.245e-40 8.268e-40 -39.084 -39.083 0.001 28.61 + H2 8.244e-40 8.267e-40 -39.084 -39.083 0.001 28.61 K 1.001e-02 K+ 1.001e-02 8.932e-03 -2.000 -2.049 -0.049 9.08 Na 6.378e-13 Na+ 6.378e-13 5.715e-13 -12.195 -12.243 -0.048 -1.37 - NaOH 3.243e-34 3.251e-34 -33.489 -33.488 0.001 (0) -O(0) 1.215e-14 - O2 6.077e-15 6.094e-15 -14.216 -14.215 0.001 30.40 +O(0) 1.216e-14 + O2 6.078e-15 6.094e-15 -14.216 -14.215 0.001 30.40 ------------------------------Saturation indices------------------------------- @@ -5230,7 +5196,6 @@ K 1.001e-02 K+ 1.001e-02 8.877e-03 -2.000 -2.052 -0.052 9.08 Na 3.615e-13 Na+ 3.615e-13 3.220e-13 -12.442 -12.492 -0.050 -1.36 - NaOH 1.027e-34 1.030e-34 -33.988 -33.987 0.001 (0) O(0) 1.215e-14 O2 6.077e-15 6.096e-15 -14.216 -14.215 0.001 30.40 @@ -5374,7 +5339,6 @@ K 1.001e-02 K+ 1.001e-02 8.788e-03 -2.000 -2.056 -0.057 9.09 Na 2.059e-13 Na+ 2.059e-13 1.817e-13 -12.686 -12.741 -0.054 -1.34 - NaOH 3.257e-35 3.269e-35 -34.487 -34.486 0.002 (0) O(0) 1.216e-14 O2 6.078e-15 6.101e-15 -14.216 -14.215 0.002 30.40 @@ -5518,7 +5482,6 @@ K 1.001e-02 K+ 1.001e-02 8.650e-03 -2.000 -2.063 -0.063 9.11 Na 1.182e-13 Na+ 1.182e-13 1.028e-13 -12.928 -12.988 -0.060 -1.32 - NaOH 1.035e-35 1.040e-35 -34.985 -34.983 0.002 (0) O(0) 1.216e-14 O2 6.078e-15 6.108e-15 -14.216 -14.214 0.002 30.40 @@ -5662,7 +5625,6 @@ K 1.001e-02 K+ 1.001e-02 8.451e-03 -2.000 -2.073 -0.074 9.13 Na 6.850e-14 Na+ 6.850e-14 5.836e-14 -13.164 -13.234 -0.070 -1.28 - NaOH 3.295e-36 3.318e-36 -35.482 -35.479 0.003 (0) O(0) 1.216e-14 O2 6.080e-15 6.123e-15 -14.216 -14.213 0.003 30.40 @@ -5806,7 +5768,6 @@ K 1.001e-02 K+ 1.001e-02 8.182e-03 -1.999 -2.087 -0.088 9.16 Na 4.023e-14 Na+ 4.023e-14 3.332e-14 -13.396 -13.477 -0.082 -1.22 - NaOH 1.053e-36 1.065e-36 -35.977 -35.973 0.005 (0) O(0) 1.216e-14 O2 6.081e-15 6.147e-15 -14.216 -14.211 0.005 30.40 @@ -5950,7 +5911,6 @@ K 1.002e-02 K+ 1.002e-02 7.844e-03 -1.999 -2.105 -0.106 9.21 Na 2.396e-14 Na+ 2.396e-14 1.917e-14 -13.620 -13.717 -0.097 -1.14 - NaOH 3.380e-37 3.441e-37 -36.471 -36.463 0.008 (0) O(0) 1.217e-14 O2 6.086e-15 6.195e-15 -14.216 -14.208 0.008 30.40 @@ -6094,7 +6054,6 @@ K 1.003e-02 K+ 1.003e-02 7.452e-03 -1.999 -2.128 -0.129 9.28 Na 1.447e-14 Na+ 1.447e-14 1.113e-14 -13.839 -13.953 -0.114 -1.03 - NaOH 1.088e-37 1.122e-37 -36.963 -36.950 0.013 (0) O(0) 1.219e-14 O2 6.094e-15 6.283e-15 -14.215 -14.202 0.013 30.40 @@ -6238,7 +6197,6 @@ K 1.005e-02 K+ 1.005e-02 7.029e-03 -1.998 -2.153 -0.155 9.37 Na 8.822e-15 Na+ 8.822e-15 6.532e-15 -14.054 -14.185 -0.131 -0.89 - NaOH 3.494e-38 3.688e-38 -37.457 -37.433 0.023 (0) O(0) 1.221e-14 O2 6.106e-15 6.445e-15 -14.214 -14.191 0.023 30.40 @@ -6382,7 +6340,6 @@ K 1.008e-02 K+ 1.008e-02 6.612e-03 -1.996 -2.180 -0.183 9.51 Na 5.375e-15 Na+ 5.375e-15 3.872e-15 -14.270 -14.412 -0.142 -0.70 - NaOH 1.109e-38 1.222e-38 -37.955 -37.913 0.042 (0) O(0) 1.229e-14 O2 6.143e-15 6.768e-15 -14.212 -14.170 0.042 30.40 @@ -6526,7 +6483,6 @@ K 1.014e-02 K+ 1.014e-02 6.245e-03 -1.994 -2.204 -0.211 9.71 Na 3.215e-15 Na+ 3.215e-15 2.315e-15 -14.493 -14.636 -0.143 -0.45 - NaOH 3.408e-39 4.059e-39 -38.468 -38.392 0.076 (0) O(0) 1.225e-14 O2 6.123e-15 7.292e-15 -14.213 -14.137 0.076 30.40 @@ -6670,7 +6626,6 @@ K 1.025e-02 K+ 1.025e-02 5.982e-03 -1.989 -2.223 -0.234 10.03 Na 1.833e-15 Na+ 1.833e-15 1.391e-15 -14.737 -14.857 -0.120 -0.12 - NaOH 9.787e-40 1.342e-39 -39.009 -38.872 0.137 (0) O(0) 1.230e-14 O2 6.149e-15 8.431e-15 -14.211 -14.074 0.137 30.40 diff --git a/mytest/zeta_101.sel b/mytest/zeta_101.sel index 1df77c3d0..9e1495ee9 100644 --- a/mytest/zeta_101.sel +++ b/mytest/zeta_101.sel @@ -1,30 +1,30 @@ Mu SC - 0.010007571873 1409.9995618388 - 0.011137480561 1671.6932805042 - 0.010641517332 1556.9209113362 - 0.010363567575 1492.5212126230 - 0.010207571788 1456.3526771652 - 0.010119947091 1436.0286399732 - 0.010070703364 1424.6046847798 - 0.010043021514 1418.1824800893 - 0.010027458030 1414.5719918023 - 0.010018707067 1412.5423565346 - 0.010013786408 1411.4016434569 - 0.010011019507 1410.7608716817 - 0.010009463747 1410.4014277757 - 0.010008589138 1410.2005748467 - 0.010008097724 1410.0896361003 - 0.010007822093 1410.0305995799 - 0.010007668568 1410.0031923680 - 0.010007587613 1409.9982406492 - 0.010007598540 1410.0193797265 - 0.010007750825 1410.0790218444 - 0.010008028628 1410.1895077329 - 0.010008515988 1410.3871612037 - 0.010009375417 1410.7388353342 - 0.010010897184 1411.3639774575 - 0.010013597666 1412.4752568978 - 0.010018395151 1414.4510037925 + 0.010007571873 1409.9995617206 + 0.011137480561 1671.6945213505 + 0.010641517332 1556.9214362180 + 0.010363567575 1492.5214067050 + 0.010207571788 1456.3527317549 + 0.010119947091 1436.0286428752 + 0.010070703364 1424.6046728064 + 0.010043021514 1418.1824668812 + 0.010027458030 1414.5719813536 + 0.010018707067 1412.5423492686 + 0.010013786408 1411.4016387375 + 0.010011019507 1410.7608687412 + 0.010009463747 1410.4014259931 + 0.010008589138 1410.2005737864 + 0.010008097724 1410.0896354781 + 0.010007822093 1410.0305992184 + 0.010007668568 1410.0031921596 + 0.010007587613 1409.9982405297 + 0.010007598540 1410.0193796583 + 0.010007750825 1410.0790218056 + 0.010008028628 1410.1895077109 + 0.010008515988 1410.3871611912 + 0.010009375417 1410.7388353271 + 0.010010897184 1411.3639774535 + 0.010013597666 1412.4752568955 + 0.010018395151 1414.4510037912 0.010026922712 1417.9641198781 0.010042084888 1424.2114432489 0.010069048509 1435.3219392315 diff --git a/src/Form1.h b/src/Form1.h index 6a17674a2..77cb90f95 100644 --- a/src/Form1.h +++ b/src/Form1.h @@ -969,38 +969,71 @@ namespace zdg_ui2 { if ((fabs(chart->Get_axis_scale_x()[1] - NA) < 1e-3) && zg1->GraphPane->XAxis->Type == AxisType::Log) { double max = -1e99; - for (int i = 0; i < zg1->GraphPane->CurveList->Count; i++) + for (int i = 0; i < zg1->GraphPane->CurveList->Count; i++) { - if (Curves[i]->Get_x()[Curves[i]->Get_x().size() - 1] > max) - max = Curves[i]->Get_x()[Curves[i]->Get_x().size() - 1]; + if (Curves[i]->Get_x().size() > 0) + { + if (Curves[i]->Get_x()[Curves[i]->Get_x().size() - 1] > max) + max = Curves[i]->Get_x()[Curves[i]->Get_x().size() - 1]; + } + } + if (max > 0) + { + max += pow(10.0, log10(max / 3)); + } + else + { + zg1->GraphPane->XAxis->Scale->Min = 0; + max = zg1->GraphPane->XAxis->Scale->Min + 1.0; } - max += pow(10.0, log10(max / 3)); zg1->GraphPane->XAxis->Scale->Max = max; } if ((fabs(chart->Get_axis_scale_y()[1] - NA) < 1e-3) && zg1->GraphPane->YAxis->Type == AxisType::Log) { double max = -1e99; - for (int i = 0; i < zg1->GraphPane->CurveList->Count; i++) + for (int i = 0; i < zg1->GraphPane->CurveList->Count; i++) { - curve = (LineItem ^) zg1->GraphPane->CurveList[i]; + curve = (LineItem^)zg1->GraphPane->CurveList[i]; if (curve->IsY2Axis) continue; - if (Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1] > max) - max = Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1]; + if (Curves[i]->Get_y().size() > 0) + { + if (Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1] > max) + max = Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1]; + } + } + if (max > 0) + { + max += pow(10.0, log10(max / 3)); + } + else + { + zg1->GraphPane->YAxis->Scale->Min = 0; + max = zg1->GraphPane->YAxis->Scale->Min + 1.0; } - max += pow(10.0, log10(max / 3)); zg1->GraphPane->YAxis->Scale->Max = max; } if ((fabs(chart->Get_axis_scale_y2()[1] - NA) < 1e-3) && zg1->GraphPane->Y2Axis->Type == AxisType::Log) { double max = -1e99; - for (int i = 0; i < zg1->GraphPane->CurveList->Count; i++) + for (int i = 0; i < zg1->GraphPane->CurveList->Count; i++) { - curve = (LineItem ^) zg1->GraphPane->CurveList[i]; + curve = (LineItem^)zg1->GraphPane->CurveList[i]; if (!curve->IsY2Axis) continue; - if (Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1] > max) - max = Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1]; + if (Curves[i]->Get_y().size() > 0) + { + if (Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1] > max) + max = Curves[i]->Get_y()[Curves[i]->Get_y().size() - 1]; + } + } + if (max > 0.0) + { + max += pow(10.0, log10(max / 3)); + } + else + { + zg1->GraphPane->Y2Axis->Scale->Min = 0; + max = zg1->GraphPane->Y2Axis->Scale->Min + 1.0; } - max += pow(10.0, log10(max / 3)); zg1->GraphPane->Y2Axis->Scale->Max = max; } zg1->AxisChange();